# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6faebdd8-d694-4cc0-ae19-f6ee7e3e8583/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 Na3AsO4 / Pmn2_1 (31) / materials id 756044](https://mdr.nims.go.jp/datasets/f4b08d02-a406-4a0d-9b3f-f127e7f1e43e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.028128560000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.057023260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.564961500000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.848610630000000, 0.508171960000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.244645130000000, 0.676267380000000, 0.006058070000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.255354870000000, 0.323732620000000, 0.506058070000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.151389370000000, 0.008171960000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.744645130000000, 0.323732620000000, 0.506058070000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.755354870000000, 0.676267380000000, 0.006058070000000 ] mass: 22.989769 - symbol: As # 7 coordinates: [ 0.000000000000000, 0.178104440000000, 0.997398050000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.500000000000000, 0.821895560000000, 0.497398050000000 ] mass: 74.921600 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.911386950000000, 0.094605220000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.183720050000000, 0.692370890000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.300596620000000, 0.689648710000000, 0.597523880000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.199403380000000, 0.310351290000000, 0.097523880000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.816279950000000, 0.192370890000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.088613050000000, 0.594605220000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.800596620000000, 0.310351290000000, 0.097523880000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.699403380000000, 0.689648710000000, 0.597523880000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.142285388131830, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.165097599443592, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.179695762495392 ] # c*unit_cell: lattice: - [ 7.028128560000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.057023260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.564961500000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.848610630000000, 0.508171960000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.244645130000000, 0.676267380000000, 0.006058070000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.255354870000000, 0.323732620000000, 0.506058070000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.151389370000000, 0.008171960000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.744645130000000, 0.323732620000000, 0.506058070000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.755354870000000, 0.676267380000000, 0.006058070000000 ] mass: 22.989769 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.000000000000000, 0.178104440000000, 0.997398050000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.500000000000000, 0.821895560000000, 0.497398050000000 ] mass: 74.921600 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.911386950000000, 0.094605220000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.000000000000000, 0.183720050000000, 0.692370890000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.300596620000000, 0.689648710000000, 0.597523880000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.199403380000000, 0.310351290000000, 0.097523880000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.816279950000000, 0.192370890000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.088613050000000, 0.594605220000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.800596620000000, 0.310351290000000, 0.097523880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.699403380000000, 0.689648710000000, 0.597523880000000 ] mass: 15.999400 reduced_to: 16supercell: lattice: - [ 14.056257120000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.114046520000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.129923000000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.000000000000000, 0.424305315000000, 0.254085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.500000000000000, 0.424305315000000, 0.254085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.924305315000000, 0.254085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.924305315000000, 0.254085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.424305315000000, 0.754085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 6 coordinates: [ 0.500000000000000, 0.424305315000000, 0.754085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.924305315000000, 0.754085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 8 coordinates: [ 0.500000000000000, 0.924305315000000, 0.754085980000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 9 coordinates: [ 0.122322565000000, 0.338133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.622322565000000, 0.338133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.122322565000000, 0.838133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 12 coordinates: [ 0.622322565000000, 0.838133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 13 coordinates: [ 0.122322565000000, 0.338133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 14 coordinates: [ 0.622322565000000, 0.338133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 15 coordinates: [ 0.122322565000000, 0.838133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 16 coordinates: [ 0.622322565000000, 0.838133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 17 coordinates: [ 0.127677435000000, 0.161866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.627677435000000, 0.161866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.127677435000000, 0.661866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 20 coordinates: [ 0.627677435000000, 0.661866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 21 coordinates: [ 0.127677435000000, 0.161866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 22 coordinates: [ 0.627677435000000, 0.161866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 23 coordinates: [ 0.127677435000000, 0.661866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 24 coordinates: [ 0.627677435000000, 0.661866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 25 coordinates: [ 0.250000000000000, 0.075694685000000, 0.004085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.750000000000000, 0.075694685000000, 0.004085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.250000000000000, 0.575694685000000, 0.004085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 28 coordinates: [ 0.750000000000000, 0.575694685000000, 0.004085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 29 coordinates: [ 0.250000000000000, 0.075694685000000, 0.504085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 30 coordinates: [ 0.750000000000000, 0.075694685000000, 0.504085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 31 coordinates: [ 0.250000000000000, 0.575694685000000, 0.504085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 32 coordinates: [ 0.750000000000000, 0.575694685000000, 0.504085980000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 33 coordinates: [ 0.372322565000000, 0.161866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.872322565000000, 0.161866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 35 coordinates: [ 0.372322565000000, 0.661866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 36 coordinates: [ 0.872322565000000, 0.661866310000000, 0.253029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 37 coordinates: [ 0.372322565000000, 0.161866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 38 coordinates: [ 0.872322565000000, 0.161866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 39 coordinates: [ 0.372322565000000, 0.661866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 40 coordinates: [ 0.872322565000000, 0.661866310000000, 0.753029035000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 41 coordinates: [ 0.377677435000000, 0.338133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.877677435000000, 0.338133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 43 coordinates: [ 0.377677435000000, 0.838133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 44 coordinates: [ 0.877677435000000, 0.838133690000000, 0.003029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 45 coordinates: [ 0.377677435000000, 0.338133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 46 coordinates: [ 0.877677435000000, 0.338133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 47 coordinates: [ 0.377677435000000, 0.838133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 48 coordinates: [ 0.877677435000000, 0.838133690000000, 0.503029035000000 ] mass: 22.989769 reduced_to: 41 - symbol: As # 49 coordinates: [ 0.000000000000000, 0.089052220000000, 0.498699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 50 coordinates: [ 0.500000000000000, 0.089052220000000, 0.498699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 51 coordinates: [ 0.000000000000000, 0.589052220000000, 0.498699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 52 coordinates: [ 0.500000000000000, 0.589052220000000, 0.498699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 53 coordinates: [ 0.000000000000000, 0.089052220000000, 0.998699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 54 coordinates: [ 0.500000000000000, 0.089052220000000, 0.998699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 55 coordinates: [ 0.000000000000000, 0.589052220000000, 0.998699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 56 coordinates: [ 0.500000000000000, 0.589052220000000, 0.998699025000000 ] mass: 74.921600 reduced_to: 49 - symbol: As # 57 coordinates: [ 0.250000000000000, 0.410947780000000, 0.248699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 58 coordinates: [ 0.750000000000000, 0.410947780000000, 0.248699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 59 coordinates: [ 0.250000000000000, 0.910947780000000, 0.248699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 60 coordinates: [ 0.750000000000000, 0.910947780000000, 0.248699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 61 coordinates: [ 0.250000000000000, 0.410947780000000, 0.748699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 62 coordinates: [ 0.750000000000000, 0.410947780000000, 0.748699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 63 coordinates: [ 0.250000000000000, 0.910947780000000, 0.748699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: As # 64 coordinates: [ 0.750000000000000, 0.910947780000000, 0.748699025000000 ] mass: 74.921600 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.000000000000000, 0.455693475000000, 0.047302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.455693475000000, 0.047302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.955693475000000, 0.047302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.955693475000000, 0.047302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.000000000000000, 0.455693475000000, 0.547302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.455693475000000, 0.547302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.955693475000000, 0.547302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.500000000000000, 0.955693475000000, 0.547302610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.091860025000000, 0.346185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.091860025000000, 0.346185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.591860025000000, 0.346185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.591860025000000, 0.346185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.000000000000000, 0.091860025000000, 0.846185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.500000000000000, 0.091860025000000, 0.846185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.000000000000000, 0.591860025000000, 0.846185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.591860025000000, 0.846185445000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.150298310000000, 0.344824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.650298310000000, 0.344824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.150298310000000, 0.844824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.650298310000000, 0.844824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.150298310000000, 0.344824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.650298310000000, 0.344824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.150298310000000, 0.844824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.650298310000000, 0.844824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.099701690000000, 0.155175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.599701690000000, 0.155175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.099701690000000, 0.655175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.599701690000000, 0.655175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.099701690000000, 0.155175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.599701690000000, 0.155175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.099701690000000, 0.655175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.599701690000000, 0.655175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 97 coordinates: [ 0.250000000000000, 0.408139975000000, 0.096185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.750000000000000, 0.408139975000000, 0.096185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.250000000000000, 0.908139975000000, 0.096185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.750000000000000, 0.908139975000000, 0.096185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.250000000000000, 0.408139975000000, 0.596185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.750000000000000, 0.408139975000000, 0.596185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.250000000000000, 0.908139975000000, 0.596185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 104 coordinates: [ 0.750000000000000, 0.908139975000000, 0.596185445000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 105 coordinates: [ 0.250000000000000, 0.044306525000000, 0.297302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.750000000000000, 0.044306525000000, 0.297302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.250000000000000, 0.544306525000000, 0.297302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.750000000000000, 0.544306525000000, 0.297302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.250000000000000, 0.044306525000000, 0.797302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 110 coordinates: [ 0.750000000000000, 0.044306525000000, 0.797302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 111 coordinates: [ 0.250000000000000, 0.544306525000000, 0.797302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 112 coordinates: [ 0.750000000000000, 0.544306525000000, 0.797302610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 113 coordinates: [ 0.400298310000000, 0.155175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.900298310000000, 0.155175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.400298310000000, 0.655175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.900298310000000, 0.655175645000000, 0.048761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.400298310000000, 0.155175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 118 coordinates: [ 0.900298310000000, 0.155175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 119 coordinates: [ 0.400298310000000, 0.655175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 120 coordinates: [ 0.900298310000000, 0.655175645000000, 0.548761940000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 121 coordinates: [ 0.349701690000000, 0.344824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.849701690000000, 0.344824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.349701690000000, 0.844824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.849701690000000, 0.844824355000000, 0.298761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.349701690000000, 0.344824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 126 coordinates: [ 0.849701690000000, 0.344824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 127 coordinates: [ 0.349701690000000, 0.844824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 128 coordinates: [ 0.849701690000000, 0.844824355000000, 0.798761940000000 ] mass: 15.999400 reduced_to: 121born_effective_charge:- # 1 (Na) - [ 1.177826310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.922516670000000, -0.014924110000000 ] - [ 0.000000000000000, 0.086840380000000, 1.075218330000000 ]- # 2 (Na) - [ 0.950254250000000, 0.074144080000000, -0.052148200000000 ] - [ -0.043143110000000, 1.099361230000000, -0.007296010000000 ] - [ 0.070965940000000, 0.042325770000000, 1.035914120000000 ]- # 3 (Na) - [ 0.950254250000000, 0.074144080000000, 0.052148200000000 ] - [ -0.043143110000000, 1.099361230000000, 0.007296010000000 ] - [ -0.070965940000000, -0.042325770000000, 1.035914120000000 ]- # 4 (Na) - [ 1.177826310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.922516670000000, 0.014924110000000 ] - [ 0.000000000000000, -0.086840380000000, 1.075218330000000 ]- # 5 (Na) - [ 0.950254250000000, -0.074144080000000, -0.052148200000000 ] - [ 0.043143110000000, 1.099361230000000, 0.007296010000000 ] - [ 0.070965940000000, -0.042325770000000, 1.035914120000000 ]- # 6 (Na) - [ 0.950254250000000, -0.074144080000000, 0.052148200000000 ] - [ 0.043143110000000, 1.099361230000000, -0.007296010000000 ] - [ -0.070965940000000, 0.042325770000000, 1.035914120000000 ]- # 7 (As) - [ 2.886255790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.658067100000000, -0.003531710000000 ] - [ 0.000000000000000, -0.015997060000000, 2.845639730000000 ]- # 8 (As) - [ 2.886255790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.658067100000000, 0.003531710000000 ] - [ 0.000000000000000, 0.015997060000000, 2.845639730000000 ]- # 9 (O) - [ -1.184627970000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.942072050000000, 0.261841180000000 ] - [ 0.000000000000000, 0.276375720000000, -1.291297180000000 ]- # 10 (O) - [ -1.169485810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.079421560000000, -0.001786450000000 ] - [ 0.000000000000000, 0.006766990000000, -2.117527650000000 ]- # 11 (O) - [ -1.805238410000000, -0.387847830000000, 0.256956790000000 ] - [ -0.311483870000000, -1.378906300000000, 0.128533910000000 ] - [ 0.275073070000000, 0.129681550000000, -1.291930730000000 ]- # 12 (O) - [ -1.805238410000000, -0.387847830000000, -0.256956790000000 ] - [ -0.311483870000000, -1.378906300000000, -0.128533910000000 ] - [ -0.275073070000000, -0.129681550000000, -1.291930730000000 ]- # 13 (O) - [ -1.169485810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.079421560000000, 0.001786450000000 ] - [ 0.000000000000000, -0.006766990000000, -2.117527650000000 ]- # 14 (O) - [ -1.184627970000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.942072050000000, -0.261841180000000 ] - [ 0.000000000000000, -0.276375720000000, -1.291297180000000 ]- # 15 (O) - [ -1.805238410000000, 0.387847830000000, 0.256956790000000 ] - [ 0.311483870000000, -1.378906300000000, -0.128533910000000 ] - [ 0.275073070000000, -0.129681550000000, -1.291930730000000 ]- # 16 (O) - [ -1.805238410000000, 0.387847830000000, -0.256956790000000 ] - [ 0.311483870000000, -1.378906300000000, 0.128533910000000 ] - [ -0.275073070000000, 0.129681550000000, -1.291930730000000 ]dielectric_constant: - [ 2.449836010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.432483750000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.459564050000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0304868700000000, 0.0002731100000000, -0.0002928800000000 ] - [ 0.0014023900000000, -0.0000889700000000, -0.0001326800000000 ] - [ -0.0003689300000000, -0.0000917600000000, -0.0001327400000000 ] - [ 0.0003181800000000, -0.0000894000000000, -0.0001329500000000 ] - [ -0.0004136100000000, -0.0000869700000000, -0.0001335800000000 ] - [ 0.0003910000000000, -0.0000886400000000, -0.0001332800000000 ] - [ -0.0001754600000000, -0.0000916700000000, -0.0001331300000000 ] - [ 0.0001592200000000, -0.0000914500000000, -0.0001328600000000 ] - [ -0.0001976200000000, -0.0006663200000000, -0.0026226600000000 ] - [ 0.0007434300000000, 0.0003839300000000, 0.0004870500000000 ] - [ -0.0001529000000000, 0.0002727400000000, -0.0000110200000000 ] - [ 0.0001846700000000, 0.0001351600000000, 0.0001259200000000 ] - [ -0.0001276100000000, -0.0006621500000000, 0.0027329500000000 ] - [ 0.0006599700000000, 0.0002751400000000, -0.0004736900000000 ] - [ -0.0001549000000000, 0.0002115100000000, 0.0001639700000000 ] - [ 0.0001789300000000, 0.0001314700000000, -0.0000276300000000 ] - [ -0.0002622600000000, -0.0023656600000000, -0.0000040900000000 ] - [ 0.0006136800000000, 0.0004373900000000, 0.0001394700000000 ] - [ 0.0000306300000000, 0.0029614000000000, 0.0001403800000000 ] - [ 0.0007022700000000, -0.0006609800000000, 0.0001533600000000 ] - [ -0.0001721400000000, -0.0003177800000000, 0.0000593800000000 ] - [ 0.0001552200000000, -0.0000475600000000, 0.0000822200000000 ] - [ -0.0001954900000000, -0.0001019900000000, 0.0000189700000000 ] - [ 0.0001723000000000, -0.0002525200000000, 0.0000871800000000 ] - [ 0.0000753400000000, -0.0001247200000000, -0.0003089100000000 ] - [ 0.0000763200000000, 0.0003150200000000, 0.0000452300000000 ] - [ 0.0002281100000000, 0.0007240100000000, -0.0008205700000000 ] - [ 0.0002303200000000, -0.0005330700000000, 0.0005518800000000 ] - [ 0.0000751800000000, -0.0001938200000000, 0.0001199600000000 ] - [ 0.0000762200000000, 0.0003814400000000, -0.0003833600000000 ] - [ 0.0002279500000000, 0.0006301100000000, 0.0007214600000000 ] - [ 0.0002305200000000, -0.0004367800000000, -0.0009788800000000 ] - [ 0.0006392100000000, -0.0007862300000000, -0.0000031300000000 ] - [ -0.0002325100000000, 0.0020138800000000, 0.0001421800000000 ] - [ 0.0007283300000000, 0.0003162100000000, -0.0000193600000000 ] - [ 0.0000664100000000, -0.0032921500000000, -0.0000060100000000 ] - [ 0.0001787800000000, -0.0003012200000000, 0.0000527700000000 ] - [ -0.0001466900000000, -0.0000311100000000, 0.0000755300000000 ] - [ 0.0001981400000000, -0.0000932100000000, 0.0000492400000000 ] - [ -0.0001670300000000, -0.0002455300000000, 0.0001162100000000 ] - [ 0.0007210500000000, -0.0000378600000000, -0.0003530300000000 ] - [ -0.0002114200000000, 0.0010086200000000, 0.0027456800000000 ] - [ 0.0001584800000000, 0.0002106500000000, 0.0000095300000000 ] - [ -0.0001767700000000, 0.0000724900000000, 0.0001470000000000 ] - [ 0.0006348400000000, 0.0000687000000000, 0.0006096400000000 ] - [ -0.0001428600000000, 0.0010046200000000, -0.0025907600000000 ] - [ 0.0001536100000000, 0.0002149500000000, 0.0001627900000000 ] - [ -0.0001790800000000, 0.0001305700000000, -0.0000292200000000 ] - [ -0.0017733200000000, 0.0013139300000000, 0.0010261300000000 ] - [ 0.0010534600000000, 0.0013153200000000, 0.0010225800000000 ] - [ -0.0025196400000000, 0.0013049500000000, 0.0010041800000000 ] - [ 0.0012696700000000, 0.0013131600000000, 0.0010291600000000 ] - [ -0.0025304200000000, 0.0013172000000000, 0.0010194300000000 ] - [ 0.0012480400000000, 0.0013133500000000, 0.0010250800000000 ] - [ -0.0034191400000000, 0.0012934300000000, 0.0010330200000000 ] - [ 0.0014673700000000, 0.0013152500000000, 0.0010205200000000 ] - [ 0.0116734400000000, -0.0003821600000000, -0.0002751800000000 ] - [ 0.0115788100000000, -0.0023196100000000, 0.0023495100000000 ] - [ 0.0000788500000000, -0.0016409700000000, 0.0007954900000000 ] - [ 0.0000838700000000, -0.0009924900000000, 0.0012493200000000 ] - [ 0.0000602300000000, -0.0013167800000000, 0.0015315100000000 ] - [ 0.0000658500000000, -0.0013177100000000, 0.0005168800000000 ] - [ 0.0000300300000000, -0.0014242200000000, 0.0010664500000000 ] - [ 0.0000356300000000, -0.0012126100000000, 0.0009780500000000 ] - [ 0.0036619100000000, -0.0000103200000000, -0.0003564200000000 ] - [ -0.0009481900000000, -0.0000036400000000, -0.0003783500000000 ] - [ 0.0005858800000000, 0.0000008700000000, -0.0003798100000000 ] - [ -0.0003555100000000, -0.0000098600000000, -0.0003772400000000 ] - [ 0.0018168900000000, -0.0000060900000000, -0.0003695400000000 ] - [ -0.0006051200000000, -0.0000093000000000, -0.0003782900000000 ] - [ 0.0003743000000000, -0.0000107200000000, -0.0003768900000000 ] - [ -0.0002749500000000, -0.0000045000000000, -0.0003792600000000 ] - [ 0.0010011400000000, 0.0002422600000000, 0.0000594200000000 ] - [ -0.0005166200000000, 0.0002443600000000, 0.0000681600000000 ] - [ 0.0032582400000000, 0.0002094300000000, 0.0000500900000000 ] - [ -0.0009225500000000, 0.0002444500000000, 0.0000600300000000 ] - [ 0.0005824900000000, 0.0002425100000000, 0.0000663200000000 ] - [ -0.0003408200000000, 0.0002451500000000, 0.0000677400000000 ] - [ 0.0004847500000000, 0.0002493900000000, 0.0000634900000000 ] - [ -0.0003914100000000, 0.0002446600000000, 0.0000697100000000 ] - [ 0.0073219700000000, -0.0021241100000000, 0.0010440300000000 ] - [ -0.0022972700000000, -0.0001682800000000, 0.0000291000000000 ] - [ 0.0012083400000000, 0.0003123300000000, -0.0003934800000000 ] - [ 0.0007139700000000, 0.0005082100000000, -0.0003419600000000 ] - [ 0.0012791100000000, 0.0005250400000000, -0.0002822700000000 ] - [ 0.0006239700000000, 0.0003342300000000, -0.0003462100000000 ] - [ 0.0010913700000000, 0.0004407400000000, -0.0003275900000000 ] - [ 0.0008741900000000, 0.0004663400000000, -0.0003596600000000 ] - [ 0.0002260500000000, 0.0005449500000000, 0.0003833200000000 ] - [ -0.0017651500000000, -0.0008537300000000, -0.0006082600000000 ] - [ 0.0004317400000000, -0.0008145800000000, 0.0007661800000000 ] - [ -0.0018901500000000, -0.0004318600000000, -0.0006676300000000 ] - [ -0.0000887200000000, 0.0001679100000000, -0.0005954300000000 ] - [ -0.0016165400000000, -0.0007695300000000, -0.0003006500000000 ] - [ -0.0000505300000000, -0.0004019200000000, -0.0002445100000000 ] - [ -0.0016693300000000, -0.0004880800000000, -0.0003063200000000 ] - [ -0.0022471600000000, -0.0005340700000000, 0.0022059100000000 ] - [ -0.0022307300000000, 0.0000475000000000, -0.0020572800000000 ] - [ -0.0000324100000000, -0.0001992400000000, 0.0002465400000000 ] - [ -0.0000346100000000, -0.0002918600000000, -0.0001030200000000 ] - [ -0.0001764100000000, -0.0003171500000000, -0.0008210800000000 ] - [ -0.0001786200000000, -0.0001735600000000, 0.0009443700000000 ] - [ -0.0000105000000000, -0.0002162200000000, -0.0000125400000000 ] - [ -0.0000129000000000, -0.0002724700000000, 0.0001484700000000 ] - [ -0.0001167500000000, 0.0006206000000000, -0.0003615100000000 ] - [ -0.0001184700000000, -0.0006050400000000, -0.0003949200000000 ] - [ -0.0026134900000000, -0.0020100200000000, -0.0006811800000000 ] - [ -0.0025910100000000, 0.0020188600000000, -0.0000799400000000 ] - [ -0.0000198600000000, 0.0001127600000000, -0.0003540200000000 ] - [ -0.0000223300000000, -0.0001032800000000, -0.0004043500000000 ] - [ -0.0000142500000000, -0.0002399200000000, -0.0003554900000000 ] - [ -0.0000178500000000, 0.0002553700000000, -0.0003992400000000 ] - [ 0.0002240400000000, -0.0000718200000000, -0.0001044000000000 ] - [ 0.0022157000000000, -0.0014791800000000, -0.0010951600000000 ] - [ 0.0001068600000000, -0.0005003100000000, -0.0000453500000000 ] - [ 0.0024105400000000, -0.0001061800000000, -0.0014768000000000 ] - [ 0.0003831600000000, -0.0001635700000000, -0.0004164200000000 ] - [ 0.0018972000000000, -0.0010948000000000, -0.0001173400000000 ] - [ 0.0003209500000000, -0.0004398400000000, -0.0004093000000000 ] - [ 0.0019379200000000, -0.0005255300000000, -0.0004635900000000 ] - [ -0.0042834700000000, 0.0011061000000000, -0.0007506600000000 ] - [ 0.0047449600000000, 0.0028103300000000, -0.0016375300000000 ] - [ -0.0012836300000000, 0.0004217200000000, -0.0003758000000000 ] - [ -0.0007894700000000, 0.0006165500000000, -0.0003227000000000 ] - [ -0.0013659800000000, 0.0005929300000000, -0.0003668900000000 ] - [ -0.0007127500000000, 0.0003985600000000, -0.0004304100000000 ] - [ -0.0011197100000000, 0.0004647200000000, -0.0003557000000000 ] - [ -0.0009016900000000, 0.0004881200000000, -0.0003861300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0361906100000000, -0.0047792900000000 ] - [ 0.0000000000000000, -0.0002853200000000, -0.0001093600000000 ] - [ 0.0000000000000000, 0.0008445000000000, -0.0001215100000000 ] - [ 0.0000000000000000, -0.0000080500000000, -0.0001350400000000 ] - [ 0.0000000000000000, -0.0005767500000000, -0.0000381600000000 ] - [ 0.0000000000000000, -0.0001335100000000, -0.0001280800000000 ] - [ 0.0000000000000000, 0.0003668500000000, -0.0001241900000000 ] - [ 0.0000000000000000, -0.0000264800000000, -0.0001333800000000 ] - [ -0.0006743200000000, -0.0007569900000000, 0.0017759900000000 ] - [ 0.0000936200000000, 0.0001223600000000, 0.0002064500000000 ] - [ 0.0000647400000000, 0.0008462900000000, 0.0000009400000000 ] - [ -0.0000465900000000, 0.0002548900000000, 0.0000775000000000 ] - [ -0.0006695800000000, -0.0008226000000000, -0.0015524000000000 ] - [ 0.0000873400000000, 0.0000737200000000, -0.0001223200000000 ] - [ 0.0001418100000000, 0.0009909600000000, 0.0001495300000000 ] - [ -0.0000567500000000, 0.0002678600000000, 0.0000621300000000 ] - [ -0.0021847900000000, 0.0022768700000000, -0.0000183500000000 ] - [ 0.0001293000000000, -0.0000120600000000, 0.0000813200000000 ] - [ 0.0028624600000000, 0.0030100600000000, 0.0000659000000000 ] - [ -0.0001460900000000, -0.0001717700000000, 0.0000557600000000 ] - [ -0.0001808800000000, -0.0002883600000000, 0.0000787800000000 ] - [ -0.0000037600000000, -0.0001989100000000, 0.0000628400000000 ] - [ 0.0002949300000000, -0.0000481100000000, 0.0002200600000000 ] - [ -0.0001121400000000, -0.0001532800000000, 0.0000874200000000 ] - [ -0.0002865000000000, 0.0003008300000000, -0.0000217400000000 ] - [ 0.0002865000000000, 0.0003008300000000, -0.0000217400000000 ] - [ 0.0005338900000000, -0.0001560200000000, -0.0002221300000000 ] - [ -0.0005338900000000, -0.0001560200000000, -0.0002221300000000 ] - [ -0.0002189500000000, 0.0003007400000000, -0.0002211400000000 ] - [ 0.0002189500000000, 0.0003007400000000, -0.0002211400000000 ] - [ 0.0006280200000000, -0.0001550800000000, -0.0000873300000000 ] - [ -0.0006280200000000, -0.0001550800000000, -0.0000873300000000 ] - [ -0.0001293000000000, -0.0000120600000000, 0.0000813200000000 ] - [ 0.0021847900000000, 0.0022768700000000, -0.0000183500000000 ] - [ 0.0001460900000000, -0.0001717700000000, 0.0000557600000000 ] - [ -0.0028624600000000, 0.0030100600000000, 0.0000659000000000 ] - [ 0.0000037600000000, -0.0001989100000000, 0.0000628400000000 ] - [ 0.0001808800000000, -0.0002883600000000, 0.0000787800000000 ] - [ 0.0001121400000000, -0.0001532800000000, 0.0000874200000000 ] - [ -0.0002949300000000, -0.0000481100000000, 0.0002200600000000 ] - [ -0.0000936200000000, 0.0001223600000000, 0.0002064500000000 ] - [ 0.0006743200000000, -0.0007569900000000, 0.0017759900000000 ] - [ 0.0000465900000000, 0.0002548900000000, 0.0000775000000000 ] - [ -0.0000647400000000, 0.0008462900000000, 0.0000009400000000 ] - [ -0.0000873400000000, 0.0000737200000000, -0.0001223200000000 ] - [ 0.0006695800000000, -0.0008226000000000, -0.0015524000000000 ] - [ 0.0000567500000000, 0.0002678600000000, 0.0000621300000000 ] - [ -0.0001418100000000, 0.0009909600000000, 0.0001495300000000 ] - [ 0.0000000000000000, 0.0025718800000000, -0.0015976400000000 ] - [ 0.0000000000000000, 0.0015268300000000, 0.0009247400000000 ] - [ 0.0000000000000000, 0.0021634900000000, 0.0112558200000000 ] - [ 0.0000000000000000, 0.0010222200000000, 0.0009068300000000 ] - [ 0.0000000000000000, 0.0034084300000000, 0.0022734600000000 ] - [ 0.0000000000000000, 0.0015563200000000, 0.0011452100000000 ] - [ 0.0000000000000000, 0.0019256500000000, -0.0045426400000000 ] - [ 0.0000000000000000, 0.0009948400000000, 0.0010891800000000 ] - [ -0.0020532200000000, -0.0058261900000000, 0.0021014500000000 ] - [ 0.0020532200000000, -0.0058261900000000, 0.0021014500000000 ] - [ 0.0004947300000000, -0.0002238100000000, 0.0009469500000000 ] - [ -0.0004947300000000, -0.0002238100000000, 0.0009469500000000 ] - [ 0.0001999200000000, -0.0019011900000000, 0.0009899000000000 ] - [ -0.0001999200000000, -0.0019011900000000, 0.0009899000000000 ] - [ 0.0002308500000000, -0.0007303900000000, 0.0010343400000000 ] - [ -0.0002308500000000, -0.0007303900000000, 0.0010343400000000 ] - [ 0.0000000000000000, 0.0040436600000000, -0.0014642200000000 ] - [ 0.0000000000000000, 0.0002180200000000, -0.0004908600000000 ] - [ 0.0000000000000000, -0.0012805300000000, -0.0003540600000000 ] - [ 0.0000000000000000, -0.0001625500000000, -0.0003789300000000 ] - [ 0.0000000000000000, 0.0030891000000000, -0.0022284300000000 ] - [ 0.0000000000000000, 0.0001800400000000, -0.0003090600000000 ] - [ 0.0000000000000000, -0.0012469000000000, 0.0002372200000000 ] - [ 0.0000000000000000, -0.0001673000000000, -0.0003374400000000 ] - [ 0.0000000000000000, -0.0018594400000000, 0.0017521700000000 ] - [ 0.0000000000000000, 0.0001329500000000, 0.0001440600000000 ] - [ 0.0000000000000000, 0.0166907700000000, 0.0053256100000000 ] - [ 0.0000000000000000, 0.0003618300000000, 0.0001313100000000 ] - [ 0.0000000000000000, -0.0000507200000000, -0.0005914300000000 ] - [ 0.0000000000000000, 0.0001997100000000, -0.0000094000000000 ] - [ 0.0000000000000000, 0.0005419700000000, 0.0004978800000000 ] - [ 0.0000000000000000, 0.0003047300000000, 0.0000150000000000 ] - [ -0.0002985400000000, 0.0057705900000000, -0.0011904900000000 ] - [ -0.0001563900000000, 0.0008735600000000, -0.0004399200000000 ] - [ 0.0004740800000000, -0.0005261400000000, -0.0002456300000000 ] - [ 0.0011008800000000, 0.0002289700000000, -0.0003228000000000 ] - [ 0.0008850600000000, 0.0008819100000000, -0.0004468800000000 ] - [ 0.0011156500000000, 0.0006384600000000, -0.0004314300000000 ] - [ 0.0007997000000000, -0.0000294000000000, -0.0003343300000000 ] - [ 0.0010608700000000, 0.0003275900000000, -0.0003510900000000 ] - [ -0.0007310300000000, -0.0017446500000000, -0.0015856300000000 ] - [ -0.0010983100000000, -0.0005597500000000, -0.0004451300000000 ] - [ -0.0014166800000000, -0.0010420900000000, 0.0012179800000000 ] - [ -0.0008968200000000, -0.0003840600000000, -0.0003617500000000 ] - [ -0.0007080200000000, -0.0006922600000000, 0.0003805600000000 ] - [ -0.0010541700000000, -0.0005186400000000, -0.0002953300000000 ] - [ -0.0024860800000000, -0.0012228900000000, -0.0025703700000000 ] - [ -0.0008507000000000, -0.0004107600000000, -0.0003243200000000 ] - [ 0.0004302900000000, 0.0008418000000000, -0.0008088900000000 ] - [ -0.0004302900000000, 0.0008418000000000, -0.0008088900000000 ] - [ -0.0000811300000000, -0.0006414800000000, 0.0001165400000000 ] - [ 0.0000811300000000, -0.0006414800000000, 0.0001165400000000 ] - [ -0.0001078600000000, 0.0001324400000000, 0.0002429900000000 ] - [ 0.0001078600000000, 0.0001324400000000, 0.0002429900000000 ] - [ -0.0000647800000000, -0.0005502600000000, 0.0000628500000000 ] - [ 0.0000647800000000, -0.0005502600000000, 0.0000628500000000 ] - [ 0.0001734000000000, -0.0008108900000000, -0.0004360500000000 ] - [ -0.0001734000000000, -0.0008108900000000, -0.0004360500000000 ] - [ -0.0009533800000000, 0.0022885500000000, -0.0002807200000000 ] - [ 0.0009533800000000, 0.0022885500000000, -0.0002807200000000 ] - [ 0.0000804600000000, -0.0003539200000000, -0.0004813100000000 ] - [ -0.0000804600000000, -0.0003539200000000, -0.0004813100000000 ] - [ -0.0002579300000000, 0.0004257000000000, -0.0003333700000000 ] - [ 0.0002579300000000, 0.0004257000000000, -0.0003333700000000 ] - [ 0.0010983100000000, -0.0005597500000000, -0.0004451300000000 ] - [ 0.0007310300000000, -0.0017446500000000, -0.0015856300000000 ] - [ 0.0008968200000000, -0.0003840600000000, -0.0003617500000000 ] - [ 0.0014166800000000, -0.0010420900000000, 0.0012179800000000 ] - [ 0.0010541700000000, -0.0005186400000000, -0.0002953300000000 ] - [ 0.0007080200000000, -0.0006922600000000, 0.0003805600000000 ] - [ 0.0008507000000000, -0.0004107600000000, -0.0003243200000000 ] - [ 0.0024860800000000, -0.0012228900000000, -0.0025703700000000 ] - [ 0.0001563900000000, 0.0008735600000000, -0.0004399200000000 ] - [ 0.0002985400000000, 0.0057705900000000, -0.0011904900000000 ] - [ -0.0011008800000000, 0.0002289700000000, -0.0003228000000000 ] - [ -0.0004740800000000, -0.0005261400000000, -0.0002456300000000 ] - [ -0.0011156500000000, 0.0006384600000000, -0.0004314300000000 ] - [ -0.0008850600000000, 0.0008819100000000, -0.0004468800000000 ] - [ -0.0010608700000000, 0.0003275900000000, -0.0003510900000000 ] - [ -0.0007997000000000, -0.0000294000000000, -0.0003343300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0351213000000000, 0.0039040000000000 ] - [ 0.0000000000000000, 0.0000979500000000, -0.0001532600000000 ] - [ 0.0000000000000000, -0.0010391300000000, -0.0001426500000000 ] - [ 0.0000000000000000, -0.0001722700000000, -0.0001289400000000 ] - [ 0.0000000000000000, 0.0003988100000000, -0.0002251500000000 ] - [ 0.0000000000000000, -0.0000451400000000, -0.0001373300000000 ] - [ 0.0000000000000000, -0.0005531600000000, -0.0001403000000000 ] - [ 0.0000000000000000, -0.0001554400000000, -0.0001311100000000 ] - [ 0.0006995000000000, 0.0011158700000000, -0.0016347500000000 ] - [ -0.0000661500000000, 0.0002223600000000, -0.0000686900000000 ] - [ -0.0000397500000000, -0.0004987200000000, 0.0001348000000000 ] - [ 0.0000712300000000, 0.0000919500000000, 0.0000588800000000 ] - [ 0.0006950200000000, 0.0011815100000000, 0.0016833400000000 ] - [ -0.0000608700000000, 0.0002727500000000, 0.0002567500000000 ] - [ -0.0001158800000000, -0.0006486200000000, -0.0000121300000000 ] - [ 0.0000822000000000, 0.0000775000000000, 0.0000739700000000 ] - [ 0.0021882700000000, -0.0026434300000000, 0.0001563100000000 ] - [ -0.0001572700000000, -0.0003318700000000, 0.0000559000000000 ] - [ -0.0028592700000000, -0.0033293700000000, 0.0000770400000000 ] - [ 0.0001210900000000, -0.0001787000000000, 0.0000808200000000 ] - [ 0.0001574600000000, -0.0000591400000000, 0.0000573000000000 ] - [ -0.0000222500000000, -0.0001486800000000, 0.0000728500000000 ] - [ -0.0003212700000000, -0.0003028300000000, -0.0000852100000000 ] - [ 0.0000868000000000, -0.0001960700000000, 0.0000490400000000 ] - [ 0.0002896700000000, -0.0001096400000000, -0.0002409000000000 ] - [ -0.0002896700000000, -0.0001096400000000, -0.0002409000000000 ] - [ -0.0005328400000000, 0.0003439400000000, -0.0000393300000000 ] - [ 0.0005328400000000, 0.0003439400000000, -0.0000393300000000 ] - [ 0.0002214100000000, -0.0001103600000000, -0.0000405700000000 ] - [ -0.0002214100000000, -0.0001103600000000, -0.0000405700000000 ] - [ -0.0006283000000000, 0.0003439300000000, -0.0001744100000000 ] - [ 0.0006283000000000, 0.0003439300000000, -0.0001744100000000 ] - [ 0.0001572700000000, -0.0003318700000000, 0.0000559000000000 ] - [ -0.0021882700000000, -0.0026434300000000, 0.0001563100000000 ] - [ -0.0001210900000000, -0.0001787000000000, 0.0000808200000000 ] - [ 0.0028592700000000, -0.0033293700000000, 0.0000770400000000 ] - [ 0.0000222500000000, -0.0001486800000000, 0.0000728500000000 ] - [ -0.0001574600000000, -0.0000591400000000, 0.0000573000000000 ] - [ -0.0000868000000000, -0.0001960700000000, 0.0000490400000000 ] - [ 0.0003212700000000, -0.0003028300000000, -0.0000852100000000 ] - [ 0.0000661500000000, 0.0002223600000000, -0.0000686900000000 ] - [ -0.0006995000000000, 0.0011158700000000, -0.0016347500000000 ] - [ -0.0000712300000000, 0.0000919500000000, 0.0000588800000000 ] - [ 0.0000397500000000, -0.0004987200000000, 0.0001348000000000 ] - [ 0.0000608700000000, 0.0002727500000000, 0.0002567500000000 ] - [ -0.0006950200000000, 0.0011815100000000, 0.0016833400000000 ] - [ -0.0000822000000000, 0.0000775000000000, 0.0000739700000000 ] - [ 0.0001158800000000, -0.0006486200000000, -0.0000121300000000 ] - [ 0.0000000000000000, 0.0000558500000000, 0.0036704300000000 ] - [ 0.0000000000000000, 0.0011049100000000, 0.0011179000000000 ] - [ 0.0000000000000000, 0.0004957000000000, -0.0092168300000000 ] - [ 0.0000000000000000, 0.0015981700000000, 0.0011381200000000 ] - [ 0.0000000000000000, -0.0007844800000000, -0.0002463700000000 ] - [ 0.0000000000000000, 0.0010745200000000, 0.0008934200000000 ] - [ 0.0000000000000000, 0.0006515300000000, 0.0065404200000000 ] - [ 0.0000000000000000, 0.0016273000000000, 0.0009546000000000 ] - [ 0.0020183800000000, 0.0031726900000000, -0.0000549800000000 ] - [ -0.0020183800000000, 0.0031726900000000, -0.0000549800000000 ] - [ -0.0004893000000000, -0.0024117700000000, 0.0010941200000000 ] - [ 0.0004893000000000, -0.0024117700000000, 0.0010941200000000 ] - [ -0.0001997200000000, -0.0007294700000000, 0.0010488800000000 ] - [ 0.0001997200000000, -0.0007294700000000, 0.0010488800000000 ] - [ -0.0002285000000000, -0.0019086100000000, 0.0010048300000000 ] - [ 0.0002285000000000, -0.0019086100000000, 0.0010048300000000 ] - [ 0.0000000000000000, -0.0040564500000000, 0.0007157900000000 ] - [ 0.0000000000000000, -0.0002252300000000, -0.0002678400000000 ] - [ 0.0000000000000000, 0.0012885300000000, -0.0004070100000000 ] - [ 0.0000000000000000, 0.0001537600000000, -0.0003785300000000 ] - [ 0.0000000000000000, -0.0030854000000000, 0.0014724900000000 ] - [ 0.0000000000000000, -0.0001944600000000, -0.0004487500000000 ] - [ 0.0000000000000000, 0.0012485300000000, -0.0010062200000000 ] - [ 0.0000000000000000, 0.0001561500000000, -0.0004239600000000 ] - [ 0.0000000000000000, 0.0023703600000000, -0.0016304600000000 ] - [ 0.0000000000000000, 0.0003563700000000, 0.0000052000000000 ] - [ 0.0000000000000000, -0.0153493100000000, -0.0046326400000000 ] - [ 0.0000000000000000, 0.0001314000000000, -0.0000023600000000 ] - [ 0.0000000000000000, 0.0005374500000000, 0.0007336400000000 ] - [ 0.0000000000000000, 0.0002907100000000, 0.0001472600000000 ] - [ 0.0000000000000000, -0.0000370800000000, -0.0003640400000000 ] - [ 0.0000000000000000, 0.0001888300000000, 0.0001177100000000 ] - [ 0.0024000400000000, -0.0048556400000000, 0.0004933100000000 ] - [ 0.0021446900000000, 0.0000563000000000, -0.0002774500000000 ] - [ 0.0015198300000000, 0.0014550300000000, -0.0004728900000000 ] - [ 0.0009004000000000, 0.0007032800000000, -0.0003961100000000 ] - [ 0.0011077000000000, 0.0000409400000000, -0.0002694800000000 ] - [ 0.0008821000000000, 0.0002885800000000, -0.0002868700000000 ] - [ 0.0011938600000000, 0.0009592000000000, -0.0003814600000000 ] - [ 0.0009383500000000, 0.0006044900000000, -0.0003671000000000 ] - [ -0.0012665100000000, 0.0008188600000000, 0.0008848800000000 ] - [ -0.0008994300000000, -0.0003722900000000, -0.0002705000000000 ] - [ -0.0005730000000000, 0.0001249400000000, -0.0019142600000000 ] - [ -0.0011016300000000, -0.0005435100000000, -0.0003538500000000 ] - [ -0.0012912300000000, -0.0002396900000000, -0.0011035000000000 ] - [ -0.0009423300000000, -0.0004121800000000, -0.0004241200000000 ] - [ 0.0004999700000000, 0.0002953800000000, 0.0018571300000000 ] - [ -0.0011374900000000, -0.0005120400000000, -0.0003896200000000 ] - [ -0.0004243600000000, -0.0013333400000000, 0.0009467900000000 ] - [ 0.0004243600000000, -0.0013333400000000, 0.0009467900000000 ] - [ 0.0000789300000000, 0.0001505800000000, 0.0000245000000000 ] - [ -0.0000789300000000, 0.0001505800000000, 0.0000245000000000 ] - [ 0.0001083800000000, -0.0006256400000000, -0.0000971600000000 ] - [ -0.0001083800000000, -0.0006256400000000, -0.0000971600000000 ] - [ 0.0000638500000000, 0.0000603100000000, 0.0000866800000000 ] - [ -0.0000638500000000, 0.0000603100000000, 0.0000866800000000 ] - [ -0.0001763500000000, 0.0008222800000000, -0.0003231200000000 ] - [ 0.0001763500000000, 0.0008222800000000, -0.0003231200000000 ] - [ 0.0009495500000000, -0.0022717200000000, -0.0004786500000000 ] - [ -0.0009495500000000, -0.0022717200000000, -0.0004786500000000 ] - [ -0.0000817000000000, 0.0003607400000000, -0.0002788700000000 ] - [ 0.0000817000000000, 0.0003607400000000, -0.0002788700000000 ] - [ 0.0002578000000000, -0.0004153500000000, -0.0004257600000000 ] - [ -0.0002578000000000, -0.0004153500000000, -0.0004257600000000 ] - [ 0.0008994300000000, -0.0003722900000000, -0.0002705000000000 ] - [ 0.0012665100000000, 0.0008188600000000, 0.0008848800000000 ] - [ 0.0011016300000000, -0.0005435100000000, -0.0003538500000000 ] - [ 0.0005730000000000, 0.0001249400000000, -0.0019142600000000 ] - [ 0.0009423300000000, -0.0004121800000000, -0.0004241200000000 ] - [ 0.0012912300000000, -0.0002396900000000, -0.0011035000000000 ] - [ 0.0011374900000000, -0.0005120400000000, -0.0003896200000000 ] - [ -0.0004999700000000, 0.0002953800000000, 0.0018571300000000 ] - [ -0.0021446900000000, 0.0000563000000000, -0.0002774500000000 ] - [ -0.0024000400000000, -0.0048556400000000, 0.0004933100000000 ] - [ -0.0009004000000000, 0.0007032800000000, -0.0003961100000000 ] - [ -0.0015198300000000, 0.0014550300000000, -0.0004728900000000 ] - [ -0.0008821000000000, 0.0002885800000000, -0.0002868700000000 ] - [ -0.0011077000000000, 0.0000409400000000, -0.0002694800000000 ] - [ -0.0009383500000000, 0.0006044900000000, -0.0003671000000000 ] - [ -0.0011938600000000, 0.0009592000000000, -0.0003814600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0046322200000000, -0.0327963800000000 ] - [ 0.0000000000000000, -0.0000697800000000, -0.0002520300000000 ] - [ 0.0000000000000000, -0.0000828700000000, -0.0006362600000000 ] - [ 0.0000000000000000, -0.0000926100000000, -0.0001898800000000 ] - [ 0.0000000000000000, 0.0000067400000000, 0.0018360100000000 ] - [ 0.0000000000000000, -0.0000826600000000, -0.0000464900000000 ] - [ 0.0000000000000000, -0.0000853000000000, 0.0002986300000000 ] - [ 0.0000000000000000, -0.0000934900000000, -0.0000777200000000 ] - [ -0.0025607100000000, 0.0016329600000000, 0.0026004200000000 ] - [ 0.0001303100000000, 0.0002004700000000, 0.0000853300000000 ] - [ -0.0002584400000000, -0.0002860000000000, 0.0001225800000000 ] - [ 0.0000826300000000, 0.0001300700000000, 0.0000671300000000 ] - [ 0.0028566800000000, -0.0014489400000000, 0.0026529000000000 ] - [ -0.0000865600000000, 0.0001448600000000, 0.0001151600000000 ] - [ 0.0002687700000000, 0.0005600900000000, 0.0000975000000000 ] - [ -0.0000246400000000, 0.0002192700000000, 0.0000737400000000 ] - [ -0.0001030100000000, -0.0001346200000000, -0.0009797800000000 ] - [ -0.0000376800000000, -0.0002348800000000, -0.0000365100000000 ] - [ 0.0000091800000000, -0.0003006600000000, -0.0018066900000000 ] - [ -0.0000210800000000, -0.0001273500000000, -0.0000827500000000 ] - [ -0.0000399600000000, -0.0001925100000000, 0.0005490000000000 ] - [ -0.0000034000000000, -0.0001833400000000, 0.0001547600000000 ] - [ -0.0001636200000000, -0.0001853100000000, 0.0010666700000000 ] - [ -0.0000049900000000, -0.0001722100000000, 0.0002002900000000 ] - [ -0.0002509200000000, 0.0001855700000000, -0.0001175600000000 ] - [ 0.0002509200000000, 0.0001855700000000, -0.0001175600000000 ] - [ -0.0008485000000000, 0.0000492600000000, 0.0000050500000000 ] - [ 0.0008485000000000, 0.0000492600000000, 0.0000050500000000 ] - [ 0.0001775900000000, -0.0000146900000000, -0.0001185700000000 ] - [ -0.0001775900000000, -0.0000146900000000, -0.0001185700000000 ] - [ 0.0006876700000000, 0.0001825600000000, 0.0000018500000000 ] - [ -0.0006876700000000, 0.0001825600000000, 0.0000018500000000 ] - [ 0.0000376800000000, -0.0002348800000000, -0.0000365100000000 ] - [ 0.0001030100000000, -0.0001346200000000, -0.0009797800000000 ] - [ 0.0000210800000000, -0.0001273500000000, -0.0000827500000000 ] - [ -0.0000091800000000, -0.0003006600000000, -0.0018066900000000 ] - [ 0.0000034000000000, -0.0001833400000000, 0.0001547600000000 ] - [ 0.0000399600000000, -0.0001925100000000, 0.0005490000000000 ] - [ 0.0000049900000000, -0.0001722100000000, 0.0002002900000000 ] - [ 0.0001636200000000, -0.0001853100000000, 0.0010666700000000 ] - [ -0.0001303100000000, 0.0002004700000000, 0.0000853300000000 ] - [ 0.0025607100000000, 0.0016329600000000, 0.0026004200000000 ] - [ -0.0000826300000000, 0.0001300700000000, 0.0000671300000000 ] - [ 0.0002584400000000, -0.0002860000000000, 0.0001225800000000 ] - [ 0.0000865600000000, 0.0001448600000000, 0.0001151600000000 ] - [ -0.0028566800000000, -0.0014489400000000, 0.0026529000000000 ] - [ 0.0000246400000000, 0.0002192700000000, 0.0000737400000000 ] - [ -0.0002687700000000, 0.0005600900000000, 0.0000975000000000 ] - [ 0.0000000000000000, 0.0002837200000000, 0.0011562800000000 ] - [ 0.0000000000000000, 0.0012319300000000, 0.0009923300000000 ] - [ 0.0000000000000000, 0.0107082000000000, 0.0066430300000000 ] - [ 0.0000000000000000, 0.0013014100000000, 0.0009939000000000 ] - [ 0.0000000000000000, 0.0025283900000000, 0.0019749200000000 ] - [ 0.0000000000000000, 0.0013532100000000, 0.0010809300000000 ] - [ 0.0000000000000000, -0.0082190800000000, 0.0078415300000000 ] - [ 0.0000000000000000, 0.0013990900000000, 0.0011272600000000 ] - [ 0.0005523600000000, -0.0005250100000000, -0.0021186200000000 ] - [ -0.0005523600000000, -0.0005250100000000, -0.0021186200000000 ] - [ 0.0000970700000000, -0.0013173100000000, 0.0004042500000000 ] - [ -0.0000970700000000, -0.0013173100000000, 0.0004042500000000 ] - [ -0.0003166800000000, -0.0013520000000000, 0.0023762700000000 ] - [ 0.0003166800000000, -0.0013520000000000, 0.0023762700000000 ] - [ -0.0001768100000000, -0.0013543900000000, 0.0015404000000000 ] - [ 0.0001768100000000, -0.0013543900000000, 0.0015404000000000 ] - [ 0.0000000000000000, 0.0004980800000000, 0.0105782800000000 ] - [ 0.0000000000000000, -0.0000378900000000, -0.0003532100000000 ] - [ 0.0000000000000000, -0.0002579700000000, -0.0002924800000000 ] - [ 0.0000000000000000, -0.0000104900000000, -0.0003684200000000 ] - [ 0.0000000000000000, -0.0029800600000000, -0.0053956900000000 ] - [ 0.0000000000000000, 0.0000028700000000, -0.0004218500000000 ] - [ 0.0000000000000000, 0.0001822400000000, -0.0005540900000000 ] - [ 0.0000000000000000, 0.0000356700000000, -0.0004038000000000 ] - [ 0.0000000000000000, 0.0009257600000000, 0.0004799500000000 ] - [ 0.0000000000000000, 0.0002822900000000, 0.0001142300000000 ] - [ 0.0000000000000000, 0.0060335500000000, 0.0061372800000000 ] - [ 0.0000000000000000, 0.0002150700000000, 0.0001309100000000 ] - [ 0.0000000000000000, 0.0000796400000000, -0.0006861500000000 ] - [ 0.0000000000000000, 0.0002455400000000, 0.0000164100000000 ] - [ 0.0000000000000000, 0.0016664100000000, -0.0034011100000000 ] - [ 0.0000000000000000, 0.0002337700000000, -0.0000221200000000 ] - [ 0.0018012800000000, -0.0003755900000000, 0.0037164300000000 ] - [ 0.0014968700000000, 0.0003810300000000, -0.0000395200000000 ] - [ 0.0007977700000000, 0.0003291500000000, 0.0001206700000000 ] - [ 0.0010169800000000, 0.0004257200000000, -0.0002148000000000 ] - [ 0.0014261000000000, 0.0004780000000000, -0.0014255600000000 ] - [ 0.0009505800000000, 0.0004948000000000, -0.0006340500000000 ] - [ 0.0012066200000000, 0.0006006000000000, -0.0008217700000000 ] - [ 0.0009490900000000, 0.0004865500000000, -0.0004871700000000 ] - [ -0.0006938800000000, -0.0016280400000000, -0.0007044800000000 ] - [ -0.0010616500000000, -0.0004821100000000, -0.0003334000000000 ] - [ 0.0005452000000000, 0.0022802600000000, -0.0006443300000000 ] - [ -0.0011133400000000, -0.0004719600000000, -0.0003289700000000 ] - [ -0.0011640800000000, 0.0001735400000000, -0.0006633600000000 ] - [ -0.0009476200000000, -0.0004193800000000, -0.0003841400000000 ] - [ -0.0022115200000000, -0.0019845300000000, -0.0013197700000000 ] - [ -0.0009255200000000, -0.0004908400000000, -0.0004015100000000 ] - [ 0.0010367800000000, -0.0006670000000000, 0.0017377100000000 ] - [ -0.0010367800000000, -0.0006670000000000, 0.0017377100000000 ] - [ 0.0001482400000000, -0.0001699700000000, 0.0004804300000000 ] - [ -0.0001482400000000, -0.0001699700000000, 0.0004804300000000 ] - [ -0.0004257000000000, -0.0001662800000000, -0.0008565000000000 ] - [ 0.0004257000000000, -0.0001662800000000, -0.0008565000000000 ] - [ -0.0000840400000000, -0.0002974300000000, -0.0002650300000000 ] - [ 0.0000840400000000, -0.0002974300000000, -0.0002650300000000 ] - [ -0.0000615800000000, 0.0000869500000000, -0.0001470900000000 ] - [ 0.0000615800000000, 0.0000869500000000, -0.0001470900000000 ] - [ -0.0005789500000000, -0.0001823400000000, 0.0005758300000000 ] - [ 0.0005789500000000, -0.0001823400000000, 0.0005758300000000 ] - [ 0.0000854800000000, -0.0000235000000000, -0.0005992700000000 ] - [ -0.0000854800000000, -0.0000235000000000, -0.0005992700000000 ] - [ 0.0002180200000000, -0.0001381000000000, -0.0009652700000000 ] - [ -0.0002180200000000, -0.0001381000000000, -0.0009652700000000 ] - [ 0.0010616500000000, -0.0004821100000000, -0.0003334000000000 ] - [ 0.0006938800000000, -0.0016280400000000, -0.0007044800000000 ] - [ 0.0011133400000000, -0.0004719600000000, -0.0003289700000000 ] - [ -0.0005452000000000, 0.0022802600000000, -0.0006443300000000 ] - [ 0.0009476200000000, -0.0004193800000000, -0.0003841400000000 ] - [ 0.0011640800000000, 0.0001735400000000, -0.0006633600000000 ] - [ 0.0009255200000000, -0.0004908400000000, -0.0004015100000000 ] - [ 0.0022115200000000, -0.0019845300000000, -0.0013197700000000 ] - [ -0.0014968700000000, 0.0003810300000000, -0.0000395200000000 ] - [ -0.0018012800000000, -0.0003755900000000, 0.0037164300000000 ] - [ -0.0010169800000000, 0.0004257200000000, -0.0002148000000000 ] - [ -0.0007977700000000, 0.0003291500000000, 0.0001206700000000 ] - [ -0.0009505800000000, 0.0004948000000000, -0.0006340500000000 ] - [ -0.0014261000000000, 0.0004780000000000, -0.0014255600000000 ] - [ -0.0009490900000000, 0.0004865500000000, -0.0004871700000000 ] - [ -0.0012066200000000, 0.0006006000000000, -0.0008217700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0040550900000000, 0.0335344600000000 ] - [ 0.0000000000000000, -0.0001096500000000, -0.0000144900000000 ] - [ 0.0000000000000000, -0.0000971500000000, 0.0003700100000000 ] - [ 0.0000000000000000, -0.0000835900000000, -0.0000778600000000 ] - [ 0.0000000000000000, -0.0001842100000000, -0.0020929300000000 ] - [ 0.0000000000000000, -0.0000955200000000, -0.0002204900000000 ] - [ 0.0000000000000000, -0.0001001100000000, -0.0005644400000000 ] - [ 0.0000000000000000, -0.0000889400000000, -0.0001884400000000 ] - [ 0.0026098400000000, -0.0013010000000000, -0.0024854000000000 ] - [ -0.0001045600000000, 0.0001439600000000, 0.0000523100000000 ] - [ 0.0002839000000000, 0.0006322200000000, 0.0000132400000000 ] - [ -0.0000579100000000, 0.0002145000000000, 0.0000687000000000 ] - [ -0.0027997300000000, 0.0017753000000000, -0.0025012200000000 ] - [ 0.0001118000000000, 0.0001997800000000, 0.0000168800000000 ] - [ -0.0002432200000000, -0.0002154300000000, 0.0000369600000000 ] - [ 0.0000496300000000, 0.0001252200000000, 0.0000613200000000 ] - [ 0.0000730000000000, -0.0002017200000000, 0.0011168800000000 ] - [ 0.0000128900000000, -0.0001110500000000, 0.0001725300000000 ] - [ -0.0000415500000000, -0.0000616000000000, 0.0019455100000000 ] - [ -0.0000027200000000, -0.0002224000000000, 0.0002185100000000 ] - [ 0.0000139600000000, -0.0001539200000000, -0.0004135100000000 ] - [ -0.0000232800000000, -0.0001620300000000, -0.0000194400000000 ] - [ 0.0001391900000000, -0.0001631400000000, -0.0009305900000000 ] - [ -0.0000207000000000, -0.0001768000000000, -0.0000652300000000 ] - [ 0.0002522700000000, 0.0000049900000000, -0.0001451100000000 ] - [ -0.0002522700000000, 0.0000049900000000, -0.0001451100000000 ] - [ 0.0008517300000000, 0.0001371400000000, -0.0002678300000000 ] - [ -0.0008517300000000, 0.0001371400000000, -0.0002678300000000 ] - [ -0.0001766700000000, 0.0002043900000000, -0.0001461000000000 ] - [ 0.0001766700000000, 0.0002043900000000, -0.0001461000000000 ] - [ -0.0006843400000000, 0.0000040400000000, -0.0002696600000000 ] - [ 0.0006843400000000, 0.0000040400000000, -0.0002696600000000 ] - [ -0.0000128900000000, -0.0001110500000000, 0.0001725300000000 ] - [ -0.0000730000000000, -0.0002017200000000, 0.0011168800000000 ] - [ 0.0000027200000000, -0.0002224000000000, 0.0002185100000000 ] - [ 0.0000415500000000, -0.0000616000000000, 0.0019455100000000 ] - [ 0.0000232800000000, -0.0001620300000000, -0.0000194400000000 ] - [ -0.0000139600000000, -0.0001539200000000, -0.0004135100000000 ] - [ 0.0000207000000000, -0.0001768000000000, -0.0000652300000000 ] - [ -0.0001391900000000, -0.0001631400000000, -0.0009305900000000 ] - [ 0.0001045600000000, 0.0001439600000000, 0.0000523100000000 ] - [ -0.0026098400000000, -0.0013010000000000, -0.0024854000000000 ] - [ 0.0000579100000000, 0.0002145000000000, 0.0000687000000000 ] - [ -0.0002839000000000, 0.0006322200000000, 0.0000132400000000 ] - [ -0.0001118000000000, 0.0001997800000000, 0.0000168800000000 ] - [ 0.0027997300000000, 0.0017753000000000, -0.0025012200000000 ] - [ -0.0000496300000000, 0.0001252200000000, 0.0000613200000000 ] - [ 0.0002432200000000, -0.0002154300000000, 0.0000369600000000 ] - [ 0.0000000000000000, 0.0023384500000000, 0.0008796600000000 ] - [ 0.0000000000000000, 0.0013990400000000, 0.0010478500000000 ] - [ 0.0000000000000000, -0.0079461500000000, -0.0046082800000000 ] - [ 0.0000000000000000, 0.0013238400000000, 0.0010464000000000 ] - [ 0.0000000000000000, 0.0001036500000000, 0.0000655900000000 ] - [ 0.0000000000000000, 0.0012812500000000, 0.0009622500000000 ] - [ 0.0000000000000000, 0.0108574600000000, -0.0058688200000000 ] - [ 0.0000000000000000, 0.0012323800000000, 0.0009145900000000 ] - [ -0.0005869200000000, -0.0021197400000000, 0.0041878100000000 ] - [ 0.0005869200000000, -0.0021197400000000, 0.0041878100000000 ] - [ -0.0000963000000000, -0.0013163200000000, 0.0016432600000000 ] - [ 0.0000963000000000, -0.0013163200000000, 0.0016432600000000 ] - [ 0.0003231800000000, -0.0012839300000000, -0.0003310300000000 ] - [ -0.0003231800000000, -0.0012839300000000, -0.0003310300000000 ] - [ 0.0001799100000000, -0.0012838000000000, 0.0004990900000000 ] - [ -0.0001799100000000, -0.0012838000000000, 0.0004990900000000 ] - [ 0.0000000000000000, -0.0002830600000000, -0.0122614800000000 ] - [ 0.0000000000000000, 0.0000294300000000, -0.0004083600000000 ] - [ 0.0000000000000000, 0.0002677300000000, -0.0004741000000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0003914100000000 ] - [ 0.0000000000000000, 0.0029242700000000, 0.0045944600000000 ] - [ 0.0000000000000000, -0.0000032300000000, -0.0003387600000000 ] - [ 0.0000000000000000, -0.0001860200000000, -0.0002055700000000 ] - [ 0.0000000000000000, -0.0000392000000000, -0.0003583000000000 ] - [ 0.0000000000000000, -0.0004388800000000, -0.0003364200000000 ] - [ 0.0000000000000000, 0.0002078300000000, 0.0000329500000000 ] - [ 0.0000000000000000, -0.0053352900000000, -0.0059304100000000 ] - [ 0.0000000000000000, 0.0002799000000000, 0.0000197800000000 ] - [ 0.0000000000000000, 0.0004092400000000, 0.0008304800000000 ] - [ 0.0000000000000000, 0.0002461100000000, 0.0001212100000000 ] - [ 0.0000000000000000, -0.0011626700000000, 0.0035451000000000 ] - [ 0.0000000000000000, 0.0002585600000000, 0.0001633800000000 ] - [ 0.0002103100000000, 0.0013106600000000, -0.0044532300000000 ] - [ 0.0004891300000000, 0.0005473700000000, -0.0006814800000000 ] - [ 0.0011999100000000, 0.0005995800000000, -0.0008391100000000 ] - [ 0.0009827200000000, 0.0005035900000000, -0.0005046700000000 ] - [ 0.0005660500000000, 0.0004493300000000, 0.0007085000000000 ] - [ 0.0010527900000000, 0.0004357900000000, -0.0000854800000000 ] - [ 0.0007922900000000, 0.0003288600000000, 0.0001034900000000 ] - [ 0.0010520700000000, 0.0004436800000000, -0.0002312600000000 ] - [ -0.0013049500000000, 0.0006998400000000, -0.0000132800000000 ] - [ -0.0009330200000000, -0.0004465000000000, -0.0003833500000000 ] - [ -0.0025530100000000, -0.0032243600000000, -0.0000730400000000 ] - [ -0.0008798800000000, -0.0004548600000000, -0.0003871500000000 ] - [ -0.0008306500000000, -0.0010970100000000, -0.0000503700000000 ] - [ -0.0010494800000000, -0.0005112200000000, -0.0003326800000000 ] - [ 0.0002184600000000, 0.0010451100000000, 0.0006144600000000 ] - [ -0.0010818800000000, -0.0004431900000000, -0.0003184800000000 ] - [ -0.0010418400000000, 0.0001764800000000, -0.0015998300000000 ] - [ 0.0010418400000000, 0.0001764800000000, -0.0015998300000000 ] - [ -0.0001488500000000, -0.0003242800000000, -0.0003365400000000 ] - [ 0.0001488500000000, -0.0003242800000000, -0.0003365400000000 ] - [ 0.0004203900000000, -0.0003268400000000, 0.0009997400000000 ] - [ -0.0004203900000000, -0.0003268400000000, 0.0009997400000000 ] - [ 0.0000823200000000, -0.0001955200000000, 0.0004221200000000 ] - [ -0.0000823200000000, -0.0001955200000000, 0.0004221200000000 ] - [ 0.0000614400000000, -0.0000818200000000, -0.0006141900000000 ] - [ -0.0000614400000000, -0.0000818200000000, -0.0006141900000000 ] - [ 0.0005859200000000, 0.0001966700000000, -0.0013375300000000 ] - [ -0.0005859200000000, 0.0001966700000000, -0.0013375300000000 ] - [ -0.0000870000000000, 0.0000234500000000, -0.0001637800000000 ] - [ 0.0000870000000000, 0.0000234500000000, -0.0001637800000000 ] - [ -0.0002202400000000, 0.0001460300000000, 0.0002054600000000 ] - [ 0.0002202400000000, 0.0001460300000000, 0.0002054600000000 ] - [ 0.0009330200000000, -0.0004465000000000, -0.0003833500000000 ] - [ 0.0013049500000000, 0.0006998400000000, -0.0000132800000000 ] - [ 0.0008798800000000, -0.0004548600000000, -0.0003871500000000 ] - [ 0.0025530100000000, -0.0032243600000000, -0.0000730400000000 ] - [ 0.0010494800000000, -0.0005112200000000, -0.0003326800000000 ] - [ 0.0008306500000000, -0.0010970100000000, -0.0000503700000000 ] - [ 0.0010818800000000, -0.0004431900000000, -0.0003184800000000 ] - [ -0.0002184600000000, 0.0010451100000000, 0.0006144600000000 ] - [ -0.0004891300000000, 0.0005473700000000, -0.0006814800000000 ] - [ -0.0002103100000000, 0.0013106600000000, -0.0044532300000000 ] - [ -0.0009827200000000, 0.0005035900000000, -0.0005046700000000 ] - [ -0.0011999100000000, 0.0005995800000000, -0.0008391100000000 ] - [ -0.0010527900000000, 0.0004357900000000, -0.0000854800000000 ] - [ -0.0005660500000000, 0.0004493300000000, 0.0007085000000000 ] - [ -0.0010520700000000, 0.0004436800000000, -0.0002312600000000 ] - [ -0.0007922900000000, 0.0003288600000000, 0.0001034900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002017000000000, -0.0007766600000000, -0.0027138400000000 ] - [ 0.0007282600000000, -0.0000087300000000, -0.0000161900000000 ] - [ -0.0001661500000000, -0.0000398300000000, -0.0004041700000000 ] - [ 0.0001688400000000, -0.0001487300000000, -0.0000625800000000 ] - [ -0.0001317200000000, -0.0007711200000000, 0.0026893200000000 ] - [ 0.0006451800000000, -0.0000139300000000, -0.0002329400000000 ] - [ -0.0001686700000000, 0.0000378400000000, 0.0001228500000000 ] - [ 0.0001635900000000, -0.0001613800000000, -0.0001700400000000 ] - [ -0.0440677500000000, -0.0021600900000000, -0.0040652400000000 ] - [ 0.0005806400000000, 0.0002137200000000, 0.0000294700000000 ] - [ -0.0004395200000000, 0.0000531900000000, 0.0001140300000000 ] - [ 0.0003237100000000, 0.0001876700000000, 0.0000419500000000 ] - [ -0.0004995600000000, 0.0000706100000000, 0.0001595000000000 ] - [ 0.0003652200000000, 0.0002002800000000, 0.0000569400000000 ] - [ -0.0001932600000000, 0.0001868000000000, 0.0000941900000000 ] - [ 0.0002092800000000, 0.0002076500000000, 0.0000503900000000 ] - [ -0.0013150800000000, -0.0006345300000000, -0.0000744700000000 ] - [ 0.0003448500000000, -0.0001251600000000, 0.0001146800000000 ] - [ -0.0007685600000000, 0.0000608200000000, -0.0003030500000000 ] - [ 0.0003158100000000, -0.0001669000000000, 0.0000906400000000 ] - [ -0.0013147500000000, -0.0005459300000000, 0.0001572500000000 ] - [ 0.0003458300000000, -0.0000995400000000, 0.0000747000000000 ] - [ -0.0007691600000000, -0.0000301200000000, 0.0002995600000000 ] - [ 0.0003164900000000, -0.0001765700000000, 0.0000907100000000 ] - [ -0.0002537900000000, -0.0020973400000000, -0.0000429900000000 ] - [ 0.0006237200000000, 0.0002355400000000, -0.0001070600000000 ] - [ 0.0000437800000000, 0.0029601900000000, -0.0001545700000000 ] - [ 0.0007136300000000, -0.0000388500000000, -0.0001226900000000 ] - [ -0.0001617500000000, -0.0000742200000000, -0.0001052500000000 ] - [ 0.0001650700000000, 0.0001016800000000, -0.0001424400000000 ] - [ -0.0001837800000000, 0.0004017600000000, 0.0000187100000000 ] - [ 0.0001831800000000, -0.0000051300000000, -0.0001408700000000 ] - [ 0.0003409500000000, -0.0007865000000000, 0.0004226200000000 ] - [ 0.0002793300000000, 0.0000957600000000, -0.0004858300000000 ] - [ 0.0002626500000000, 0.0002602600000000, 0.0001337200000000 ] - [ 0.0001759600000000, -0.0003751500000000, -0.0003587700000000 ] - [ 0.0002782400000000, -0.0006768700000000, -0.0002910500000000 ] - [ 0.0003410800000000, 0.0000819700000000, 0.0005676200000000 ] - [ 0.0001752000000000, 0.0001307600000000, -0.0000143200000000 ] - [ 0.0002635200000000, -0.0003575200000000, 0.0004073700000000 ] - [ 0.0038182500000000, 0.0003114200000000, 0.0001000900000000 ] - [ 0.0046944200000000, 0.0000521500000000, -0.0000067000000000 ] - [ -0.0000874500000000, 0.0002188700000000, 0.0000598800000000 ] - [ 0.0002016500000000, 0.0000143400000000, 0.0001013000000000 ] - [ 0.0002458400000000, 0.0000756700000000, 0.0001823900000000 ] - [ -0.0001189000000000, 0.0001948100000000, 0.0000791100000000 ] - [ -0.0000029700000000, 0.0002371300000000, 0.0000779700000000 ] - [ -0.0000153300000000, 0.0001592500000000, 0.0000758500000000 ] - [ -0.0007655700000000, 0.0011289800000000, 0.0008037000000000 ] - [ 0.0007197900000000, 0.0011101900000000, 0.0011073000000000 ] - [ -0.0007479300000000, 0.0013564400000000, 0.0007761100000000 ] - [ 0.0007425700000000, 0.0016019700000000, 0.0011594200000000 ] - [ -0.0006738700000000, 0.0064831900000000, 0.0006206100000000 ] - [ 0.0017041500000000, 0.0006171300000000, 0.0006323700000000 ] - [ -0.0003255200000000, -0.0066822200000000, 0.0023446700000000 ] - [ 0.0011769800000000, 0.0019743500000000, 0.0008628600000000 ] - [ 0.0003169700000000, -0.0000429500000000, 0.0100698400000000 ] - [ 0.0013167500000000, -0.0014391800000000, 0.0003648400000000 ] - [ -0.0006258300000000, -0.0016444100000000, 0.0007910400000000 ] - [ 0.0006131600000000, -0.0012137000000000, 0.0007658000000000 ] - [ -0.0000470500000000, 0.0000531000000000, -0.0040271200000000 ] - [ 0.0017756800000000, -0.0017630500000000, 0.0015711400000000 ] - [ -0.0007486000000000, -0.0018612100000000, 0.0010307200000000 ] - [ 0.0007334200000000, -0.0012098300000000, 0.0012521000000000 ] - [ 0.0112159700000000, -0.0051295900000000, -0.0028011700000000 ] - [ -0.0008640800000000, -0.0004438400000000, -0.0002973900000000 ] - [ 0.0003974700000000, -0.0005253600000000, -0.0000848500000000 ] - [ -0.0003834000000000, 0.0004209800000000, -0.0004062900000000 ] - [ 0.0004607100000000, -0.0001411500000000, -0.0004737800000000 ] - [ -0.0004350900000000, -0.0001535100000000, -0.0003744600000000 ] - [ 0.0002059100000000, 0.0000129100000000, -0.0004053500000000 ] - [ -0.0001992200000000, 0.0001344200000000, -0.0004147300000000 ] - [ 0.0003099300000000, 0.0002286400000000, 0.0004617400000000 ] - [ -0.0003051100000000, 0.0003850400000000, -0.0000279000000000 ] - [ 0.0003932400000000, 0.0003234300000000, 0.0006102100000000 ] - [ -0.0003954600000000, 0.0000959700000000, -0.0000392600000000 ] - [ 0.0002899800000000, -0.0009079400000000, -0.0003912800000000 ] - [ -0.0004656900000000, 0.0004565800000000, 0.0003161800000000 ] - [ 0.0003472200000000, 0.0019696400000000, -0.0016745700000000 ] - [ -0.0004372300000000, 0.0000544500000000, 0.0001937900000000 ] - [ 0.0038752200000000, 0.0011512700000000, -0.0022043400000000 ] - [ 0.0001755500000000, 0.0002734400000000, -0.0001578500000000 ] - [ 0.0015008900000000, 0.0005762200000000, -0.0002713000000000 ] - [ 0.0005695100000000, 0.0003490200000000, -0.0002634200000000 ] - [ 0.0051439000000000, 0.0006333200000000, -0.0019601800000000 ] - [ 0.0000064400000000, 0.0003249900000000, -0.0002932100000000 ] - [ 0.0016865500000000, 0.0006749400000000, -0.0005954300000000 ] - [ 0.0005284100000000, 0.0003658600000000, -0.0003177300000000 ] - [ 0.0031073000000000, 0.0011402400000000, -0.0004989000000000 ] - [ -0.0019480700000000, -0.0005654700000000, -0.0004153200000000 ] - [ 0.0015253600000000, 0.0012604800000000, -0.0000934500000000 ] - [ -0.0017754300000000, -0.0007241600000000, -0.0004671500000000 ] - [ -0.0003782700000000, -0.0001142300000000, -0.0003113500000000 ] - [ -0.0014564600000000, -0.0005447900000000, -0.0004229500000000 ] - [ -0.0003390000000000, -0.0004622700000000, -0.0003217600000000 ] - [ -0.0015111700000000, -0.0006188900000000, -0.0004687700000000 ] - [ 0.0168590800000000, 0.0062587700000000, 0.0070060600000000 ] - [ -0.0008907300000000, -0.0001824300000000, 0.0005226600000000 ] - [ 0.0003982900000000, -0.0001144300000000, 0.0001771900000000 ] - [ -0.0003846600000000, -0.0002813000000000, 0.0002222400000000 ] - [ 0.0003206400000000, -0.0002424800000000, 0.0005353500000000 ] - [ -0.0004142700000000, -0.0001446800000000, -0.0003439400000000 ] - [ 0.0002050000000000, -0.0001370100000000, 0.0000953200000000 ] - [ -0.0002047400000000, -0.0002633700000000, -0.0000701400000000 ] - [ 0.0002777000000000, 0.0004599800000000, -0.0003924600000000 ] - [ -0.0002788600000000, -0.0000679600000000, -0.0002462000000000 ] - [ 0.0003108100000000, -0.0018234100000000, -0.0023980500000000 ] - [ -0.0003772600000000, 0.0001994100000000, -0.0001500700000000 ] - [ 0.0003596700000000, 0.0006995400000000, -0.0001903100000000 ] - [ -0.0003874400000000, -0.0001279600000000, -0.0005189000000000 ] - [ 0.0002462700000000, -0.0010113600000000, 0.0005656400000000 ] - [ -0.0005772100000000, 0.0002123100000000, -0.0005503500000000 ] - [ -0.0005390200000000, 0.0006590500000000, -0.0001965400000000 ] - [ 0.0006163100000000, -0.0026368600000000, -0.0002128500000000 ] - [ 0.0004219700000000, -0.0008525100000000, -0.0002428400000000 ] - [ -0.0000641700000000, 0.0013761500000000, -0.0002472500000000 ] - [ 0.0006366900000000, -0.0001264000000000, -0.0002883500000000 ] - [ 0.0012308900000000, -0.0005668100000000, -0.0004673700000000 ] - [ 0.0006672400000000, -0.0005909000000000, -0.0003361800000000 ] - [ 0.0011817700000000, -0.0004908900000000, -0.0004556700000000 ] - [ -0.0020802700000000, 0.0009652500000000, -0.0022767000000000 ] - [ -0.0017209300000000, 0.0005877600000000, 0.0001272900000000 ] - [ -0.0008359000000000, 0.0003572600000000, -0.0003108800000000 ] - [ -0.0012241400000000, 0.0005624900000000, -0.0002215100000000 ] - [ -0.0014537100000000, 0.0000111600000000, 0.0014717200000000 ] - [ -0.0025471200000000, 0.0008182800000000, -0.0013487200000000 ] - [ -0.0008074600000000, 0.0004390700000000, -0.0003037100000000 ] - [ -0.0014098100000000, 0.0006055000000000, -0.0006053500000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002084600000000, 0.0005923800000000, 0.0024585000000000 ] - [ -0.0007317100000000, -0.0001792700000000, -0.0002464800000000 ] - [ 0.0001661300000000, -0.0001506400000000, 0.0001410300000000 ] - [ -0.0001713700000000, -0.0000397300000000, -0.0001990700000000 ] - [ 0.0001404900000000, 0.0005866200000000, -0.0029643000000000 ] - [ -0.0006462800000000, -0.0001742400000000, -0.0000313100000000 ] - [ 0.0001670000000000, -0.0002278300000000, -0.0003852600000000 ] - [ -0.0001657900000000, -0.0000294400000000, -0.0000924300000000 ] - [ 0.0438697200000000, 0.0015486000000000, 0.0035013500000000 ] - [ -0.0005574300000000, 0.0001247500000000, 0.0001012500000000 ] - [ 0.0004627400000000, 0.0002845000000000, 0.0000172400000000 ] - [ -0.0002976100000000, 0.0001479100000000, 0.0000880400000000 ] - [ 0.0005268600000000, 0.0002666200000000, -0.0000278800000000 ] - [ -0.0003416700000000, 0.0001370300000000, 0.0000728500000000 ] - [ 0.0002181400000000, 0.0001502000000000, 0.0000347500000000 ] - [ -0.0001841900000000, 0.0001297000000000, 0.0000802200000000 ] - [ 0.0012876300000000, 0.0003025700000000, 0.0002048400000000 ] - [ -0.0003711200000000, -0.0002137500000000, 0.0000263200000000 ] - [ 0.0007439800000000, -0.0004003300000000, 0.0004417100000000 ] - [ -0.0003410800000000, -0.0001723800000000, 0.0000487800000000 ] - [ 0.0012896000000000, 0.0002164700000000, -0.0000067000000000 ] - [ -0.0003708200000000, -0.0002391700000000, 0.0000641600000000 ] - [ 0.0007438600000000, -0.0003106500000000, -0.0001589200000000 ] - [ -0.0003409500000000, -0.0001623400000000, 0.0000494300000000 ] - [ 0.0002428600000000, 0.0022811000000000, -0.0002194300000000 ] - [ -0.0006263400000000, -0.0000452200000000, -0.0001560200000000 ] - [ -0.0000521300000000, -0.0027525900000000, -0.0001011700000000 ] - [ -0.0007131100000000, 0.0002374000000000, -0.0001372700000000 ] - [ 0.0001589700000000, 0.0002703100000000, -0.0001563100000000 ] - [ -0.0001663500000000, 0.0000907200000000, -0.0001199200000000 ] - [ 0.0001812000000000, -0.0002070900000000, -0.0002808600000000 ] - [ -0.0001839600000000, 0.0002006000000000, -0.0001218600000000 ] - [ -0.0003152800000000, 0.0004469500000000, -0.0002876900000000 ] - [ -0.0002533100000000, -0.0004363500000000, 0.0006199700000000 ] - [ -0.0002388800000000, -0.0005999300000000, -0.0000036800000000 ] - [ -0.0001496000000000, 0.0000364500000000, 0.0004864600000000 ] - [ -0.0002540600000000, 0.0003367400000000, 0.0004182500000000 ] - [ -0.0003158700000000, -0.0004228300000000, -0.0004406200000000 ] - [ -0.0001506000000000, -0.0004677400000000, 0.0001445500000000 ] - [ -0.0002381500000000, 0.0000197700000000, -0.0002761700000000 ] - [ -0.0037929200000000, 0.0000341700000000, 0.0000452400000000 ] - [ -0.0047822000000000, 0.0002922200000000, 0.0001491500000000 ] - [ 0.0000607400000000, 0.0001164200000000, 0.0000790400000000 ] - [ -0.0002250500000000, 0.0003204700000000, 0.0000391700000000 ] - [ -0.0002727500000000, 0.0002622700000000, -0.0000434600000000 ] - [ 0.0000948700000000, 0.0001420800000000, 0.0000604300000000 ] - [ -0.0000229200000000, 0.0000999400000000, 0.0000612800000000 ] - [ -0.0000091600000000, 0.0001781700000000, 0.0000634300000000 ] - [ 0.0007682900000000, 0.0015025200000000, 0.0012424700000000 ] - [ -0.0007219100000000, 0.0015189800000000, 0.0009416800000000 ] - [ 0.0007486800000000, 0.0012717200000000, 0.0012688300000000 ] - [ -0.0007465300000000, 0.0010277800000000, 0.0008864000000000 ] - [ 0.0007353700000000, -0.0038774800000000, 0.0014347400000000 ] - [ -0.0016985000000000, 0.0020044500000000, 0.0014161700000000 ] - [ 0.0003143000000000, 0.0093069100000000, -0.0002707000000000 ] - [ -0.0011790700000000, 0.0006566900000000, 0.0011909800000000 ] - [ -0.0003032100000000, -0.0025647800000000, -0.0080304300000000 ] - [ -0.0013195700000000, -0.0011886300000000, 0.0016866600000000 ] - [ 0.0006223800000000, -0.0009906900000000, 0.0012596700000000 ] - [ -0.0006116100000000, -0.0014223800000000, 0.0012835800000000 ] - [ -0.0000094200000000, -0.0026858400000000, 0.0060426000000000 ] - [ -0.0017830200000000, -0.0008627900000000, 0.0004730700000000 ] - [ 0.0007462300000000, -0.0007713300000000, 0.0010189200000000 ] - [ -0.0007304600000000, -0.0014256100000000, 0.0007959900000000 ] - [ -0.0116359800000000, 0.0055907200000000, 0.0021771500000000 ] - [ 0.0008638100000000, 0.0004328100000000, -0.0004609400000000 ] - [ -0.0004081900000000, 0.0005119500000000, -0.0006721000000000 ] - [ 0.0003830800000000, -0.0004329500000000, -0.0003492700000000 ] - [ -0.0004631900000000, 0.0001255300000000, -0.0002775800000000 ] - [ 0.0004365400000000, 0.0001486100000000, -0.0003791400000000 ] - [ -0.0002056600000000, -0.0000217500000000, -0.0003482400000000 ] - [ 0.0001993500000000, -0.0001428100000000, -0.0003392300000000 ] - [ -0.0003109700000000, 0.0002637400000000, -0.0003370400000000 ] - [ 0.0003059800000000, 0.0001072200000000, 0.0001536900000000 ] - [ -0.0003939100000000, 0.0001702800000000, -0.0004911700000000 ] - [ 0.0003970700000000, 0.0003965900000000, 0.0001601300000000 ] - [ -0.0003028400000000, 0.0014033400000000, 0.0005042700000000 ] - [ 0.0004657200000000, 0.0000379200000000, -0.0001954500000000 ] - [ -0.0003498300000000, -0.0014810600000000, 0.0017969900000000 ] - [ 0.0004376000000000, 0.0004383600000000, -0.0000704400000000 ] - [ -0.0018678100000000, -0.0002197700000000, 0.0014957600000000 ] - [ 0.0018231000000000, 0.0006541300000000, -0.0005567900000000 ] - [ 0.0004972500000000, 0.0003531000000000, -0.0004412700000000 ] - [ 0.0014242500000000, 0.0005790900000000, -0.0004477700000000 ] - [ -0.0031584200000000, 0.0002995100000000, 0.0012644000000000 ] - [ 0.0019933600000000, 0.0006042000000000, -0.0004196500000000 ] - [ 0.0003166700000000, 0.0002564700000000, -0.0001186300000000 ] - [ 0.0014701500000000, 0.0005644600000000, -0.0003958900000000 ] - [ -0.0050919300000000, -0.0020406500000000, -0.0002190400000000 ] - [ -0.0000513700000000, -0.0003624200000000, -0.0002990700000000 ] - [ -0.0035234100000000, -0.0021881900000000, -0.0006198600000000 ] - [ -0.0002219500000000, -0.0002039900000000, -0.0002470800000000 ] - [ -0.0016250100000000, -0.0008195900000000, -0.0004022700000000 ] - [ -0.0005401700000000, -0.0003832800000000, -0.0002875500000000 ] - [ -0.0016565300000000, -0.0004639900000000, -0.0003877500000000 ] - [ -0.0004855700000000, -0.0003106500000000, -0.0002404700000000 ] - [ -0.0161966300000000, -0.0063683900000000, -0.0063569400000000 ] - [ 0.0008930800000000, -0.0003135700000000, -0.0003972100000000 ] - [ -0.0003962000000000, -0.0003789300000000, -0.0000559800000000 ] - [ 0.0003833600000000, -0.0002091700000000, -0.0001100100000000 ] - [ -0.0003084700000000, -0.0002471500000000, -0.0004144900000000 ] - [ 0.0004153100000000, -0.0003488500000000, 0.0004669600000000 ] - [ -0.0002034300000000, -0.0003561000000000, 0.0000264400000000 ] - [ 0.0002038700000000, -0.0002287200000000, 0.0001979500000000 ] - [ -0.0002763000000000, -0.0004507700000000, -0.0003615700000000 ] - [ 0.0002777500000000, 0.0000833400000000, -0.0005071900000000 ] - [ -0.0003147300000000, 0.0018414200000000, 0.0016489100000000 ] - [ 0.0003771800000000, -0.0001876300000000, -0.0006043500000000 ] - [ -0.0003562000000000, -0.0006921700000000, -0.0005646000000000 ] - [ 0.0003863500000000, 0.0001418900000000, -0.0002347300000000 ] - [ -0.0002342100000000, 0.0010239000000000, -0.0013152700000000 ] - [ 0.0005772000000000, -0.0002038600000000, -0.0002039400000000 ] - [ 0.0025230600000000, -0.0015764100000000, -0.0005167700000000 ] - [ 0.0013739200000000, 0.0017353900000000, -0.0005010200000000 ] - [ 0.0015808000000000, -0.0000771500000000, -0.0004737500000000 ] - [ 0.0020516800000000, -0.0022901000000000, -0.0004680300000000 ] - [ 0.0013639200000000, -0.0008042900000000, -0.0004224000000000 ] - [ 0.0007625100000000, -0.0003591300000000, -0.0002420400000000 ] - [ 0.0013328700000000, -0.0003383100000000, -0.0003735000000000 ] - [ 0.0008102200000000, -0.0004350900000000, -0.0002530800000000 ] - [ 0.0000902400000000, -0.0000481900000000, 0.0015698000000000 ] - [ -0.0002769400000000, 0.0003398300000000, -0.0008438700000000 ] - [ -0.0011550000000000, 0.0005682900000000, -0.0003992300000000 ] - [ -0.0007692400000000, 0.0003644500000000, -0.0004882700000000 ] - [ -0.0005354000000000, 0.0009097300000000, -0.0021605000000000 ] - [ 0.0005649600000000, 0.0001036400000000, 0.0006458200000000 ] - [ -0.0011905700000000, 0.0004907500000000, -0.0004088300000000 ] - [ -0.0005886900000000, 0.0003233300000000, -0.0001083300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008365800000000, -0.0010357100000000, 0.0013337800000000 ] - [ 0.0002083300000000, -0.0001427300000000, -0.0001034800000000 ] - [ 0.0000986800000000, 0.0005781100000000, -0.0005911900000000 ] - [ -0.0000379400000000, -0.0000086900000000, -0.0001745100000000 ] - [ -0.0008323000000000, -0.0011028500000000, -0.0017445000000000 ] - [ 0.0001017400000000, -0.0001923100000000, -0.0001620400000000 ] - [ 0.0000392300000000, 0.0007288000000000, 0.0002525500000000 ] - [ -0.0000419500000000, 0.0000067200000000, -0.0000874900000000 ] - [ -0.0016084400000000, -0.0417596200000000, -0.0028554800000000 ] - [ 0.0000521500000000, -0.0000817800000000, 0.0000523700000000 ] - [ -0.0001080800000000, 0.0016447500000000, 0.0000495500000000 ] - [ 0.0000279800000000, 0.0003960000000000, 0.0000619100000000 ] - [ -0.0000900900000000, -0.0001944800000000, 0.0001299500000000 ] - [ 0.0000392000000000, 0.0000547800000000, 0.0000855900000000 ] - [ 0.0000274600000000, 0.0005266300000000, 0.0000612800000000 ] - [ 0.0000481900000000, 0.0002943700000000, 0.0000587700000000 ] - [ -0.0003896500000000, 0.0003065000000000, -0.0027010400000000 ] - [ 0.0000602700000000, -0.0003184600000000, -0.0000206800000000 ] - [ 0.0001333300000000, 0.0005763600000000, 0.0008030000000000 ] - [ -0.0000146300000000, -0.0000306100000000, 0.0001179600000000 ] - [ -0.0004762000000000, 0.0003059600000000, 0.0030034600000000 ] - [ 0.0000363900000000, -0.0003185400000000, 0.0001343100000000 ] - [ 0.0002224300000000, 0.0005769000000000, -0.0005474900000000 ] - [ -0.0000052400000000, -0.0000305900000000, 0.0000424800000000 ] - [ -0.0021811000000000, 0.0025445200000000, -0.0001639900000000 ] - [ 0.0006094300000000, 0.0002561900000000, -0.0000697100000000 ] - [ 0.0031467900000000, 0.0032768200000000, -0.0000093200000000 ] - [ -0.0004894900000000, 0.0000963100000000, -0.0001772300000000 ] - [ -0.0001436600000000, -0.0000229600000000, -0.0001148800000000 ] - [ 0.0001255700000000, 0.0000665500000000, -0.0001225200000000 ] - [ 0.0000712700000000, 0.0002156700000000, -0.0001222400000000 ] - [ -0.0000803600000000, 0.0001123800000000, -0.0001346100000000 ] - [ -0.0002433000000000, -0.0005240800000000, -0.0002123200000000 ] - [ 0.0005154300000000, -0.0004160000000000, -0.0005905700000000 ] - [ 0.0001961300000000, 0.0001770200000000, 0.0001661900000000 ] - [ -0.0002922200000000, 0.0001764600000000, 0.0004477700000000 ] - [ -0.0002572300000000, -0.0004170000000000, 0.0003295200000000 ] - [ 0.0006241900000000, -0.0005243900000000, 0.0005753700000000 ] - [ 0.0002148200000000, 0.0001764500000000, -0.0000214400000000 ] - [ -0.0004234900000000, 0.0001782700000000, -0.0002453600000000 ] - [ -0.0001512000000000, -0.0009258500000000, -0.0000652400000000 ] - [ 0.0001189600000000, -0.0019028200000000, 0.0000488700000000 ] - [ -0.0000591800000000, 0.0005398800000000, 0.0000643700000000 ] - [ 0.0001458300000000, 0.0011934200000000, 0.0000806700000000 ] - [ 0.0000854600000000, 0.0000008300000000, 0.0001743600000000 ] - [ -0.0000332400000000, -0.0001408700000000, 0.0000922300000000 ] - [ -0.0000771500000000, 0.0003483100000000, 0.0000607100000000 ] - [ 0.0000011200000000, 0.0004725100000000, 0.0000665500000000 ] - [ 0.0000337100000000, 0.0012758100000000, 0.0005290900000000 ] - [ 0.0000159800000000, 0.0012006400000000, 0.0009891000000000 ] - [ -0.0001677600000000, 0.0013893800000000, 0.0014319000000000 ] - [ 0.0001811400000000, 0.0014268000000000, 0.0011097300000000 ] - [ 0.0080199000000000, 0.0098167800000000, 0.0022198700000000 ] - [ -0.0004934100000000, 0.0016304000000000, 0.0012711700000000 ] - [ -0.0054137700000000, 0.0095118600000000, 0.0006570300000000 ] - [ 0.0004528300000000, 0.0013802600000000, 0.0009092800000000 ] - [ 0.0010002900000000, -0.0026529200000000, 0.0053558500000000 ] - [ -0.0001333700000000, -0.0018040600000000, 0.0013221600000000 ] - [ -0.0001941000000000, -0.0001239400000000, 0.0004789500000000 ] - [ 0.0001627900000000, -0.0007694900000000, 0.0007483900000000 ] - [ 0.0009910600000000, -0.0038620900000000, -0.0014565700000000 ] - [ -0.0000720300000000, -0.0018741800000000, 0.0009359300000000 ] - [ -0.0001054600000000, 0.0003068200000000, 0.0013560000000000 ] - [ 0.0001807400000000, -0.0006655100000000, 0.0011685700000000 ] - [ -0.0063090700000000, 0.0078994100000000, 0.0015877200000000 ] - [ -0.0002442400000000, 0.0000284100000000, -0.0003121700000000 ] - [ -0.0010982200000000, -0.0034018100000000, -0.0000301100000000 ] - [ 0.0001006500000000, -0.0002300500000000, -0.0003839000000000 ] - [ 0.0000841000000000, 0.0002101200000000, -0.0003485700000000 ] - [ -0.0000907200000000, -0.0000233600000000, -0.0004002000000000 ] - [ -0.0000146500000000, -0.0003221900000000, -0.0003815000000000 ] - [ 0.0000150700000000, 0.0000044300000000, -0.0004007300000000 ] - [ -0.0001543200000000, 0.0001798000000000, 0.0009321100000000 ] - [ 0.0000088400000000, 0.0003398600000000, 0.0001349600000000 ] - [ 0.0001472500000000, 0.0000613300000000, -0.0006032500000000 ] - [ -0.0001052600000000, 0.0001432500000000, -0.0000058500000000 ] - [ -0.0018216200000000, -0.0014784200000000, -0.0021331800000000 ] - [ 0.0001133000000000, 0.0002588500000000, -0.0000886000000000 ] - [ 0.0009798900000000, -0.0014402400000000, 0.0015000800000000 ] - [ -0.0001462500000000, 0.0001685700000000, 0.0001527300000000 ] - [ 0.0017250500000000, 0.0024695600000000, -0.0010475100000000 ] - [ 0.0010513100000000, 0.0006771300000000, -0.0004309000000000 ] - [ 0.0008626200000000, -0.0002310000000000, -0.0002508600000000 ] - [ 0.0008550100000000, 0.0002313000000000, -0.0002686400000000 ] - [ 0.0012984300000000, 0.0041981400000000, -0.0006530500000000 ] - [ 0.0010508400000000, 0.0007150700000000, -0.0004004600000000 ] - [ 0.0009182900000000, -0.0005082100000000, -0.0003512900000000 ] - [ 0.0008660100000000, 0.0001882200000000, -0.0003273800000000 ] - [ -0.0005539200000000, 0.0136292900000000, -0.0033553500000000 ] - [ -0.0008866700000000, -0.0003471400000000, -0.0003337400000000 ] - [ -0.0005664900000000, -0.0034396000000000, -0.0006374600000000 ] - [ -0.0011287600000000, -0.0006316800000000, -0.0003913900000000 ] - [ -0.0008169100000000, -0.0001735200000000, -0.0004591500000000 ] - [ -0.0010190000000000, -0.0003592900000000, -0.0003620000000000 ] - [ -0.0010425200000000, -0.0007273200000000, -0.0003253900000000 ] - [ -0.0010920900000000, -0.0005956800000000, -0.0003924500000000 ] - [ 0.0064326700000000, 0.0056954500000000, 0.0032697700000000 ] - [ 0.0002643300000000, 0.0001929300000000, -0.0000650500000000 ] - [ 0.0002875600000000, -0.0011398200000000, 0.0004070300000000 ] - [ -0.0001952200000000, -0.0006634600000000, 0.0002176600000000 ] - [ 0.0001217100000000, 0.0001608600000000, 0.0001633700000000 ] - [ 0.0000058500000000, -0.0000745900000000, 0.0000912600000000 ] - [ 0.0000313600000000, -0.0006401300000000, -0.0001709800000000 ] - [ -0.0000472400000000, -0.0004373500000000, -0.0000110800000000 ] - [ 0.0003743100000000, -0.0006112400000000, 0.0000470900000000 ] - [ -0.0001942100000000, -0.0002452800000000, -0.0002393000000000 ] - [ -0.0002462700000000, -0.0000861900000000, -0.0012277400000000 ] - [ 0.0001339700000000, 0.0001922800000000, -0.0004748300000000 ] - [ 0.0005423500000000, -0.0012165800000000, -0.0012137400000000 ] - [ -0.0003198600000000, -0.0003735000000000, -0.0006376800000000 ] - [ -0.0008936300000000, 0.0005970200000000, 0.0014270800000000 ] - [ 0.0002279900000000, 0.0003176100000000, -0.0001764800000000 ] - [ 0.0018587000000000, -0.0004799700000000, -0.0003292700000000 ] - [ -0.0024027500000000, -0.0006259600000000, -0.0000856200000000 ] - [ 0.0005427200000000, -0.0007428200000000, -0.0003446300000000 ] - [ 0.0026371800000000, -0.0021129200000000, -0.0007652300000000 ] - [ 0.0010129300000000, -0.0002679400000000, -0.0004021700000000 ] - [ 0.0007586900000000, -0.0002318700000000, -0.0003609400000000 ] - [ 0.0008761300000000, -0.0006342400000000, -0.0003366700000000 ] - [ 0.0012568700000000, -0.0006958700000000, -0.0003875500000000 ] - [ -0.0018091300000000, 0.0012302300000000, -0.0014458100000000 ] - [ -0.0009879600000000, 0.0010275700000000, -0.0004478500000000 ] - [ -0.0007358300000000, 0.0000206400000000, -0.0002005200000000 ] - [ -0.0009964500000000, 0.0000357500000000, -0.0002841700000000 ] - [ -0.0012808100000000, 0.0014509700000000, -0.0005082900000000 ] - [ -0.0009700300000000, 0.0012386500000000, -0.0003244700000000 ] - [ -0.0007417100000000, -0.0001392000000000, -0.0003022000000000 ] - [ -0.0010663800000000, -0.0001579500000000, -0.0003962100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008373000000000, 0.0008401300000000, -0.0016032000000000 ] - [ -0.0002124500000000, -0.0000440800000000, -0.0001618700000000 ] - [ -0.0001006900000000, -0.0007627800000000, 0.0003253000000000 ] - [ 0.0000369400000000, -0.0001729900000000, -0.0000914900000000 ] - [ 0.0008342100000000, 0.0009082800000000, 0.0014814400000000 ] - [ -0.0001046100000000, 0.0000083900000000, -0.0001036200000000 ] - [ -0.0000417700000000, -0.0009103500000000, -0.0005218500000000 ] - [ 0.0000412700000000, -0.0001854500000000, -0.0001813000000000 ] - [ 0.0021046100000000, 0.0429554900000000, 0.0024520300000000 ] - [ -0.0000288700000000, 0.0004256200000000, 0.0000771500000000 ] - [ 0.0001317000000000, -0.0012941800000000, 0.0000808700000000 ] - [ -0.0000046300000000, -0.0000534600000000, 0.0000684300000000 ] - [ 0.0001155000000000, 0.0005373700000000, 0.0000011700000000 ] - [ -0.0000156600000000, 0.0002869200000000, 0.0000446100000000 ] - [ -0.0000032200000000, -0.0001843400000000, 0.0000683000000000 ] - [ -0.0000251800000000, 0.0000481900000000, 0.0000712900000000 ] - [ 0.0003653200000000, -0.0006491300000000, 0.0028528900000000 ] - [ -0.0000852300000000, -0.0000247300000000, 0.0001606200000000 ] - [ -0.0001555500000000, -0.0009199600000000, -0.0006572900000000 ] - [ -0.0000088700000000, -0.0003149700000000, 0.0000210200000000 ] - [ 0.0004549400000000, -0.0006492000000000, -0.0028879600000000 ] - [ -0.0000595200000000, -0.0000249900000000, 0.0000036800000000 ] - [ -0.0002460900000000, -0.0009192700000000, 0.0006812000000000 ] - [ -0.0000180600000000, -0.0003150500000000, 0.0000967000000000 ] - [ 0.0021962200000000, -0.0023735100000000, -0.0000963700000000 ] - [ -0.0006122200000000, -0.0000637800000000, -0.0001944100000000 ] - [ -0.0031063900000000, -0.0030532800000000, -0.0002507200000000 ] - [ 0.0004882500000000, 0.0000958900000000, -0.0000858900000000 ] - [ 0.0001419300000000, 0.0002139900000000, -0.0001502100000000 ] - [ -0.0001271300000000, 0.0001226000000000, -0.0001427600000000 ] - [ -0.0000727100000000, -0.0000271400000000, -0.0001431300000000 ] - [ 0.0000788700000000, 0.0000781000000000, -0.0001298500000000 ] - [ 0.0002685200000000, 0.0001837900000000, 0.0003446300000000 ] - [ -0.0004913500000000, 0.0000749700000000, 0.0007221700000000 ] - [ -0.0001727900000000, -0.0005240500000000, -0.0000355400000000 ] - [ 0.0003155800000000, -0.0005219400000000, -0.0003177100000000 ] - [ 0.0002807100000000, 0.0000747300000000, -0.0002013800000000 ] - [ -0.0006024300000000, 0.0001826800000000, -0.0004472200000000 ] - [ -0.0001894600000000, -0.0005216600000000, 0.0001504800000000 ] - [ 0.0004453700000000, -0.0005232700000000, 0.0003742900000000 ] - [ 0.0001170300000000, 0.0012725800000000, 0.0002044600000000 ] - [ -0.0001286300000000, 0.0022504600000000, 0.0000892300000000 ] - [ 0.0000368000000000, -0.0001966100000000, 0.0000748200000000 ] - [ -0.0001690800000000, -0.0008500600000000, 0.0000585900000000 ] - [ -0.0001095300000000, 0.0003427300000000, -0.0000357700000000 ] - [ 0.0000102100000000, 0.0004839200000000, 0.0000469900000000 ] - [ 0.0000545900000000, -0.0000053500000000, 0.0000787900000000 ] - [ -0.0000243800000000, -0.0001301900000000, 0.0000725000000000 ] - [ -0.0000343500000000, 0.0013572100000000, 0.0015172200000000 ] - [ -0.0000173800000000, 0.0014293800000000, 0.0010580300000000 ] - [ 0.0001669800000000, 0.0012355000000000, 0.0006139000000000 ] - [ -0.0001852600000000, 0.0011985900000000, 0.0009349000000000 ] - [ -0.0080283800000000, -0.0072638600000000, -0.0001337800000000 ] - [ 0.0004960700000000, 0.0009992700000000, 0.0007721700000000 ] - [ 0.0053130200000000, -0.0068710500000000, 0.0014094900000000 ] - [ -0.0004538400000000, 0.0012382400000000, 0.0011327700000000 ] - [ -0.0009993800000000, 0.0000007900000000, -0.0033438800000000 ] - [ 0.0001349500000000, -0.0008279800000000, 0.0007222000000000 ] - [ 0.0001918800000000, -0.0025101100000000, 0.0015666300000000 ] - [ -0.0001623300000000, -0.0018650400000000, 0.0012959100000000 ] - [ -0.0010118000000000, 0.0011849100000000, 0.0035133200000000 ] - [ 0.0000722300000000, -0.0007606300000000, 0.0011092600000000 ] - [ 0.0001038700000000, -0.0029454800000000, 0.0006858000000000 ] - [ -0.0001818200000000, -0.0019683500000000, 0.0008745800000000 ] - [ 0.0059543400000000, -0.0076441400000000, -0.0022536300000000 ] - [ 0.0002475800000000, -0.0000242900000000, -0.0004494800000000 ] - [ 0.0010878400000000, 0.0033949300000000, -0.0007377000000000 ] - [ -0.0001013500000000, 0.0002316500000000, -0.0003773700000000 ] - [ -0.0000855600000000, -0.0002108900000000, -0.0004145600000000 ] - [ 0.0000936500000000, 0.0000267700000000, -0.0003630600000000 ] - [ 0.0000166200000000, 0.0003248700000000, -0.0003804100000000 ] - [ -0.0000150900000000, -0.0000036900000000, -0.0003620300000000 ] - [ 0.0001563900000000, 0.0003124300000000, -0.0007910800000000 ] - [ -0.0000080700000000, 0.0001527300000000, 0.0000182000000000 ] - [ -0.0001459600000000, 0.0004359500000000, 0.0007536300000000 ] - [ 0.0001085000000000, 0.0003548000000000, 0.0001607400000000 ] - [ 0.0018356700000000, 0.0019831500000000, 0.0022800200000000 ] - [ -0.0001134900000000, 0.0002326200000000, 0.0002305700000000 ] - [ -0.0009659000000000, 0.0019333500000000, -0.0013551400000000 ] - [ 0.0001479200000000, 0.0003307000000000, 0.0000017000000000 ] - [ 0.0002786300000000, -0.0015395600000000, 0.0003445800000000 ] - [ 0.0009558300000000, 0.0002545800000000, -0.0002877200000000 ] - [ 0.0011376500000000, 0.0011610100000000, -0.0004660800000000 ] - [ 0.0011460000000000, 0.0007003300000000, -0.0004475500000000 ] - [ 0.0006942200000000, -0.0032767800000000, -0.0000096500000000 ] - [ 0.0009579100000000, 0.0002182900000000, -0.0003191900000000 ] - [ 0.0010844800000000, 0.0014399500000000, -0.0003653500000000 ] - [ 0.0011383000000000, 0.0007435200000000, -0.0003902300000000 ] - [ -0.0016616900000000, -0.0155934900000000, 0.0028703900000000 ] - [ -0.0011122000000000, -0.0005832000000000, -0.0003809000000000 ] - [ -0.0014127400000000, 0.0024925500000000, -0.0000813000000000 ] - [ -0.0008824400000000, -0.0003011300000000, -0.0003280800000000 ] - [ -0.0011878900000000, -0.0007635900000000, -0.0002580800000000 ] - [ -0.0009859300000000, -0.0005736500000000, -0.0003576400000000 ] - [ -0.0009565800000000, -0.0001982600000000, -0.0003908800000000 ] - [ -0.0009180000000000, -0.0003382400000000, -0.0003282900000000 ] - [ -0.0063182700000000, -0.0061977700000000, -0.0030397500000000 ] - [ -0.0002643900000000, -0.0006882600000000, 0.0002217800000000 ] - [ -0.0002864200000000, 0.0006477800000000, -0.0002613900000000 ] - [ 0.0001956100000000, 0.0001705900000000, -0.0000720900000000 ] - [ -0.0001153200000000, -0.0006490100000000, -0.0000306400000000 ] - [ -0.0000052900000000, -0.0004198400000000, 0.0000663400000000 ] - [ -0.0000300500000000, 0.0001478800000000, 0.0003327600000000 ] - [ 0.0000485000000000, -0.0000565000000000, 0.0001570800000000 ] - [ -0.0003735100000000, 0.0006068700000000, -0.0008110900000000 ] - [ 0.0001941100000000, 0.0002473900000000, -0.0005211000000000 ] - [ 0.0002438100000000, 0.0001063500000000, 0.0004738000000000 ] - [ -0.0001340700000000, -0.0001944200000000, -0.0002878300000000 ] - [ -0.0005444400000000, 0.0012175500000000, 0.0004549200000000 ] - [ 0.0003217200000000, 0.0003752000000000, -0.0001229200000000 ] - [ 0.0008872700000000, -0.0005745600000000, -0.0021700500000000 ] - [ -0.0002269600000000, -0.0003250800000000, -0.0005879900000000 ] - [ 0.0001407200000000, -0.0004548800000000, -0.0003863900000000 ] - [ 0.0044175300000000, -0.0003042700000000, -0.0006316300000000 ] - [ 0.0014659500000000, -0.0001868500000000, -0.0003747600000000 ] - [ -0.0006277000000000, 0.0011963900000000, 0.0000439100000000 ] - [ 0.0009951300000000, -0.0006680100000000, -0.0003177800000000 ] - [ 0.0012417100000000, -0.0006984600000000, -0.0003544500000000 ] - [ 0.0011292100000000, -0.0002934300000000, -0.0003814200000000 ] - [ 0.0007414400000000, -0.0002301700000000, -0.0003284900000000 ] - [ -0.0001825200000000, -0.0003075200000000, 0.0007398900000000 ] - [ -0.0010186700000000, -0.0000964400000000, -0.0002703200000000 ] - [ -0.0012719500000000, 0.0009159400000000, -0.0005186400000000 ] - [ -0.0010018600000000, 0.0008946900000000, -0.0004307000000000 ] - [ -0.0007093800000000, -0.0005191400000000, -0.0002128100000000 ] - [ -0.0010408500000000, -0.0003046100000000, -0.0003958900000000 ] - [ -0.0012693100000000, 0.0010771500000000, -0.0004190400000000 ] - [ -0.0009341700000000, 0.0010897100000000, -0.0003203300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0026982500000000, 0.0016234900000000, 0.0024185000000000 ] - [ 0.0004207700000000, 0.0000446200000000, -0.0001165300000000 ] - [ -0.0000776000000000, -0.0001593500000000, -0.0000798700000000 ] - [ 0.0000595400000000, -0.0000833000000000, -0.0001332600000000 ] - [ 0.0026512700000000, -0.0017033400000000, 0.0024345100000000 ] - [ -0.0005393100000000, -0.0002826700000000, -0.0000823500000000 ] - [ 0.0000977000000000, -0.0000100700000000, -0.0001015600000000 ] - [ -0.0000934200000000, -0.0000980600000000, -0.0001257700000000 ] - [ -0.0040118200000000, -0.0025992400000000, -0.0359646300000000 ] - [ -0.0000245300000000, 0.0001591900000000, -0.0001273100000000 ] - [ 0.0000595600000000, 0.0001550100000000, -0.0001870900000000 ] - [ -0.0000106500000000, 0.0001675300000000, 0.0000022100000000 ] - [ 0.0001061400000000, 0.0002366000000000, 0.0019545300000000 ] - [ 0.0000040800000000, 0.0001922200000000, 0.0002460000000000 ] - [ 0.0000414200000000, 0.0001685400000000, 0.0002772400000000 ] - [ -0.0000030500000000, 0.0001653300000000, 0.0001279100000000 ] - [ -0.0000935000000000, -0.0031354300000000, 0.0021886300000000 ] - [ -0.0000169600000000, -0.0002366800000000, 0.0000731300000000 ] - [ -0.0002418900000000, 0.0004430400000000, 0.0002205800000000 ] - [ -0.0000324700000000, -0.0001455000000000, 0.0000722500000000 ] - [ 0.0001290300000000, 0.0025938600000000, 0.0021742500000000 ] - [ -0.0000558200000000, -0.0000814000000000, 0.0000739500000000 ] - [ 0.0003595600000000, -0.0009003900000000, 0.0002232200000000 ] - [ -0.0000337000000000, -0.0002204600000000, 0.0000731100000000 ] - [ 0.0000710300000000, 0.0001842400000000, -0.0011798200000000 ] - [ -0.0000690300000000, 0.0000823800000000, -0.0002362000000000 ] - [ -0.0000765600000000, 0.0000917500000000, -0.0020067200000000 ] - [ -0.0000840100000000, 0.0001070500000000, -0.0002807800000000 ] - [ 0.0000100200000000, 0.0000817600000000, 0.0003489500000000 ] - [ -0.0000137400000000, 0.0000979300000000, -0.0000454500000000 ] - [ 0.0000506400000000, -0.0000578000000000, 0.0008661300000000 ] - [ -0.0000178200000000, 0.0000767500000000, 0.0000010100000000 ] - [ 0.0005163700000000, -0.0006850900000000, 0.0001651800000000 ] - [ -0.0003438400000000, -0.0004380700000000, 0.0002203500000000 ] - [ 0.0003545700000000, 0.0001382500000000, 0.0000777400000000 ] - [ -0.0000680300000000, -0.0000859700000000, 0.0001178800000000 ] - [ -0.0005407700000000, 0.0004837700000000, 0.0002227600000000 ] - [ 0.0003659200000000, 0.0001060900000000, 0.0001673800000000 ] - [ -0.0004102700000000, -0.0005539400000000, 0.0001198500000000 ] - [ 0.0000808400000000, -0.0002724000000000, 0.0000798400000000 ] - [ -0.0000444500000000, 0.0000367000000000, -0.0015444000000000 ] - [ 0.0000724600000000, 0.0001507000000000, -0.0011604300000000 ] - [ -0.0000029600000000, 0.0001663800000000, -0.0001346500000000 ] - [ -0.0000417900000000, 0.0001823900000000, -0.0000495100000000 ] - [ -0.0001243900000000, 0.0002772500000000, 0.0010404500000000 ] - [ -0.0000234700000000, 0.0001939900000000, 0.0004410300000000 ] - [ -0.0000203100000000, 0.0001630200000000, 0.0002639100000000 ] - [ -0.0000187800000000, 0.0001687800000000, 0.0001525700000000 ] - [ 0.0002991300000000, 0.0015260300000000, 0.0022286300000000 ] - [ -0.0001615700000000, 0.0013956600000000, 0.0014744900000000 ] - [ 0.0001347300000000, 0.0010246300000000, 0.0023304900000000 ] - [ -0.0001610300000000, 0.0012129000000000, 0.0016953800000000 ] - [ -0.0009712100000000, 0.0011204500000000, -0.0023102100000000 ] - [ 0.0000966400000000, 0.0012579800000000, 0.0005042300000000 ] - [ 0.0003445700000000, 0.0022652800000000, -0.0020338000000000 ] - [ 0.0001052900000000, 0.0013955000000000, 0.0002086200000000 ] - [ 0.0081586100000000, 0.0030126900000000, 0.0066390600000000 ] - [ -0.0005291300000000, -0.0009972200000000, 0.0008470800000000 ] - [ 0.0001123100000000, -0.0017831300000000, 0.0007926400000000 ] - [ -0.0001043100000000, -0.0013508700000000, 0.0010159700000000 ] - [ -0.0082466400000000, -0.0058083900000000, 0.0080301100000000 ] - [ 0.0005215300000000, -0.0017966200000000, 0.0013412400000000 ] - [ 0.0000390400000000, -0.0007298100000000, 0.0014000900000000 ] - [ 0.0000074000000000, -0.0012953300000000, 0.0010834800000000 ] - [ -0.0024589600000000, 0.0016017300000000, 0.0037689500000000 ] - [ -0.0002077300000000, -0.0001254800000000, 0.0000908700000000 ] - [ 0.0003482600000000, 0.0004016400000000, -0.0000126300000000 ] - [ -0.0000378700000000, -0.0000004700000000, -0.0002379100000000 ] - [ -0.0001984300000000, 0.0003297700000000, -0.0014279400000000 ] - [ 0.0001676000000000, 0.0001317200000000, -0.0008097600000000 ] - [ -0.0000852100000000, 0.0000102000000000, -0.0006730800000000 ] - [ 0.0000551600000000, -0.0000194500000000, -0.0005027000000000 ] - [ 0.0001678500000000, 0.0005844600000000, -0.0008395600000000 ] - [ -0.0000603100000000, 0.0003203500000000, -0.0002418600000000 ] - [ 0.0002526600000000, -0.0000625600000000, -0.0008506200000000 ] - [ -0.0001474100000000, 0.0001534400000000, -0.0003511700000000 ] - [ -0.0002936300000000, -0.0009702400000000, 0.0018118000000000 ] - [ 0.0001096500000000, 0.0001275100000000, 0.0004243400000000 ] - [ -0.0008271600000000, 0.0008969900000000, 0.0017709100000000 ] - [ 0.0002409900000000, 0.0003917400000000, 0.0005627000000000 ] - [ -0.0015251100000000, -0.0006997200000000, -0.0051604200000000 ] - [ 0.0011435700000000, 0.0004713900000000, -0.0004072900000000 ] - [ 0.0010498300000000, 0.0004885000000000, -0.0004187100000000 ] - [ 0.0010474100000000, 0.0004833500000000, -0.0003869700000000 ] - [ 0.0004905500000000, 0.0009364900000000, 0.0130174700000000 ] - [ 0.0008851900000000, 0.0004823900000000, -0.0003291500000000 ] - [ 0.0008429000000000, 0.0004159600000000, -0.0002972500000000 ] - [ 0.0010179200000000, 0.0004723500000000, -0.0003451700000000 ] - [ -0.0010848000000000, -0.0033779900000000, 0.0038286900000000 ] - [ -0.0009888500000000, -0.0004253700000000, -0.0002075100000000 ] - [ -0.0009041600000000, -0.0010899100000000, 0.0005295500000000 ] - [ -0.0009794900000000, -0.0004726200000000, -0.0001930400000000 ] - [ -0.0013099100000000, -0.0007910500000000, -0.0014089700000000 ] - [ -0.0009572900000000, -0.0005108000000000, -0.0004956900000000 ] - [ -0.0012466500000000, -0.0003562000000000, -0.0009305000000000 ] - [ -0.0009531900000000, -0.0004293700000000, -0.0004958200000000 ] - [ 0.0073473100000000, 0.0032111400000000, 0.0072329500000000 ] - [ 0.0001684200000000, -0.0002821100000000, 0.0002526800000000 ] - [ -0.0000819600000000, -0.0001381700000000, 0.0003233800000000 ] - [ 0.0000573500000000, -0.0002324600000000, 0.0000986500000000 ] - [ 0.0011578300000000, 0.0003980900000000, -0.0034586600000000 ] - [ -0.0000877200000000, -0.0001766300000000, -0.0002374700000000 ] - [ -0.0000086500000000, -0.0003436200000000, -0.0002934900000000 ] - [ 0.0000067400000000, -0.0002485500000000, 0.0000127600000000 ] - [ -0.0001720300000000, 0.0006482100000000, -0.0005149000000000 ] - [ 0.0000584400000000, 0.0000531400000000, -0.0004131000000000 ] - [ -0.0007616600000000, -0.0017582800000000, -0.0013496900000000 ] - [ 0.0001113600000000, -0.0001512400000000, -0.0004248600000000 ] - [ 0.0001604900000000, -0.0009275900000000, -0.0004432900000000 ] - [ -0.0000235300000000, -0.0000434900000000, -0.0003509600000000 ] - [ 0.0016863900000000, 0.0027487300000000, -0.0007933300000000 ] - [ -0.0000890700000000, 0.0002357400000000, -0.0003343500000000 ] - [ 0.0007547600000000, -0.0002988100000000, 0.0001901800000000 ] - [ 0.0015294100000000, -0.0000476500000000, 0.0004723200000000 ] - [ 0.0007840700000000, -0.0005821400000000, 0.0000923100000000 ] - [ 0.0012006400000000, -0.0009558500000000, -0.0000531600000000 ] - [ 0.0011818200000000, -0.0006258100000000, -0.0008090600000000 ] - [ 0.0009752400000000, -0.0006070000000000, -0.0007329400000000 ] - [ 0.0012058200000000, -0.0003858300000000, -0.0007810000000000 ] - [ 0.0010029800000000, -0.0004073400000000, -0.0006304900000000 ] - [ -0.0029702300000000, 0.0006897100000000, -0.0013032700000000 ] - [ -0.0003371000000000, 0.0003150600000000, -0.0005146200000000 ] - [ -0.0011789900000000, 0.0005304300000000, -0.0004102500000000 ] - [ -0.0009262900000000, 0.0004528500000000, -0.0003917500000000 ] - [ 0.0022212900000000, 0.0005610400000000, -0.0006241100000000 ] - [ -0.0019240600000000, 0.0006933300000000, -0.0004736500000000 ] - [ -0.0008258700000000, 0.0004073900000000, -0.0003240900000000 ] - [ -0.0010396700000000, 0.0004598000000000, -0.0003305200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026653200000000, -0.0017912400000000, -0.0026641900000000 ] - [ -0.0004225100000000, -0.0002320400000000, -0.0001476700000000 ] - [ 0.0000754800000000, -0.0000237700000000, -0.0001892900000000 ] - [ -0.0000611100000000, -0.0001001100000000, -0.0001320700000000 ] - [ -0.0026765900000000, 0.0015304200000000, -0.0027192000000000 ] - [ 0.0005387200000000, 0.0000957200000000, -0.0001809700000000 ] - [ -0.0001000300000000, -0.0001711000000000, -0.0001625400000000 ] - [ 0.0000923500000000, -0.0000847200000000, -0.0001391500000000 ] - [ 0.0035513800000000, 0.0027097700000000, 0.0371878000000000 ] - [ 0.0000491900000000, 0.0001844900000000, 0.0002587300000000 ] - [ -0.0000377400000000, 0.0001899200000000, 0.0003193200000000 ] - [ 0.0000344200000000, 0.0001756400000000, 0.0001288200000000 ] - [ -0.0000819800000000, 0.0001078200000000, -0.0018168700000000 ] - [ 0.0000202300000000, 0.0001513800000000, -0.0001157600000000 ] - [ -0.0000172000000000, 0.0001768200000000, -0.0001469400000000 ] - [ 0.0000269400000000, 0.0001792200000000, 0.0000028700000000 ] - [ 0.0000705600000000, 0.0027576500000000, -0.0020360900000000 ] - [ -0.0000066200000000, -0.0001075300000000, 0.0000662900000000 ] - [ 0.0002169800000000, -0.0007853600000000, -0.0000834100000000 ] - [ 0.0000091100000000, -0.0001998000000000, 0.0000671200000000 ] - [ -0.0001510100000000, -0.0029613500000000, -0.0020503500000000 ] - [ 0.0000322800000000, -0.0002642300000000, 0.0000665800000000 ] - [ -0.0003847700000000, 0.0005578000000000, -0.0000816300000000 ] - [ 0.0000093700000000, -0.0001249800000000, 0.0000671400000000 ] - [ -0.0000791400000000, 0.0000123400000000, 0.0009168800000000 ] - [ 0.0000691600000000, 0.0001064100000000, -0.0000275900000000 ] - [ 0.0000651600000000, 0.0000818300000000, 0.0017446800000000 ] - [ 0.0000844500000000, 0.0000815900000000, 0.0000179400000000 ] - [ -0.0000108000000000, 0.0001065600000000, -0.0006119500000000 ] - [ 0.0000112700000000, 0.0000891300000000, -0.0002189300000000 ] - [ -0.0000515100000000, 0.0002499900000000, -0.0011285800000000 ] - [ 0.0000156900000000, 0.0001161800000000, -0.0002638100000000 ] - [ -0.0004916200000000, 0.0003385200000000, -0.0000357500000000 ] - [ 0.0003656200000000, 0.0000920100000000, -0.0000933500000000 ] - [ -0.0003298700000000, -0.0004823100000000, 0.0000520900000000 ] - [ 0.0000914800000000, -0.0002584600000000, 0.0000100400000000 ] - [ 0.0005655500000000, -0.0008309200000000, -0.0000911700000000 ] - [ -0.0003431100000000, -0.0004525900000000, -0.0000337300000000 ] - [ 0.0004354800000000, 0.0002093600000000, 0.0000112600000000 ] - [ -0.0000569800000000, -0.0000725700000000, 0.0000529100000000 ] - [ 0.0000105900000000, 0.0003081600000000, 0.0016881100000000 ] - [ -0.0000804800000000, 0.0001922300000000, 0.0013026100000000 ] - [ -0.0000217300000000, 0.0001783600000000, 0.0002754900000000 ] - [ 0.0000203000000000, 0.0001615700000000, 0.0001906800000000 ] - [ 0.0001020200000000, 0.0000674200000000, -0.0008998600000000 ] - [ -0.0000037000000000, 0.0001496100000000, -0.0003012500000000 ] - [ -0.0000032600000000, 0.0001823400000000, -0.0001237500000000 ] - [ -0.0000059700000000, 0.0001762700000000, -0.0000127900000000 ] - [ -0.0003051500000000, 0.0011014000000000, -0.0001819700000000 ] - [ 0.0001615900000000, 0.0012343400000000, 0.0005706300000000 ] - [ -0.0001352700000000, 0.0016101300000000, -0.0002815600000000 ] - [ 0.0001604400000000, 0.0014184600000000, 0.0003508300000000 ] - [ 0.0009977400000000, 0.0015457500000000, 0.0043759400000000 ] - [ -0.0000993200000000, 0.0013743000000000, 0.0015403300000000 ] - [ -0.0003364200000000, 0.0003284600000000, 0.0040995200000000 ] - [ -0.0001090000000000, 0.0012375900000000, 0.0018379300000000 ] - [ -0.0080444800000000, -0.0055869900000000, -0.0046103800000000 ] - [ 0.0005273600000000, -0.0016351000000000, 0.0011921800000000 ] - [ -0.0001139900000000, -0.0008517700000000, 0.0012467000000000 ] - [ 0.0001067600000000, -0.0012841500000000, 0.0010264500000000 ] - [ 0.0082504700000000, 0.0031688400000000, -0.0060585000000000 ] - [ -0.0005196800000000, -0.0008354800000000, 0.0007030300000000 ] - [ -0.0000412400000000, -0.0019036800000000, 0.0006443700000000 ] - [ -0.0000068600000000, -0.0013379000000000, 0.0009601400000000 ] - [ 0.0024699100000000, -0.0016062400000000, -0.0045607400000000 ] - [ 0.0002106800000000, 0.0001233800000000, -0.0008503000000000 ] - [ -0.0003535900000000, -0.0004160200000000, -0.0007469600000000 ] - [ 0.0000381700000000, -0.0000097900000000, -0.0005176300000000 ] - [ 0.0001992900000000, -0.0003484900000000, 0.0006735500000000 ] - [ -0.0001671700000000, -0.0001444800000000, 0.0000548700000000 ] - [ 0.0000864600000000, -0.0000169000000000, -0.0000832500000000 ] - [ -0.0000552500000000, 0.0000046900000000, -0.0002514900000000 ] - [ -0.0001643000000000, -0.0000895800000000, 0.0009673700000000 ] - [ 0.0000606700000000, 0.0001719300000000, 0.0003713100000000 ] - [ -0.0002511300000000, 0.0005516400000000, 0.0009842100000000 ] - [ 0.0001478600000000, 0.0003383300000000, 0.0004847500000000 ] - [ 0.0002955400000000, 0.0014643000000000, -0.0016895800000000 ] - [ -0.0001093800000000, 0.0003638300000000, -0.0002963700000000 ] - [ 0.0008312900000000, -0.0004073500000000, -0.0016494300000000 ] - [ -0.0002399400000000, 0.0000989700000000, -0.0004226200000000 ] - [ 0.0034799100000000, 0.0016101200000000, 0.0044062800000000 ] - [ 0.0008573900000000, 0.0004606000000000, -0.0003079800000000 ] - [ 0.0009526300000000, 0.0004440700000000, -0.0002971200000000 ] - [ 0.0009491900000000, 0.0004463700000000, -0.0003279900000000 ] - [ 0.0017565800000000, 0.0000643900000000, -0.0147610500000000 ] - [ 0.0011177600000000, 0.0004519300000000, -0.0003877300000000 ] - [ 0.0011591600000000, 0.0005158100000000, -0.0004192300000000 ] - [ 0.0009814300000000, 0.0004578500000000, -0.0003691900000000 ] - [ -0.0009197900000000, 0.0024421900000000, -0.0045775100000000 ] - [ -0.0010088600000000, -0.0005046000000000, -0.0005058100000000 ] - [ -0.0010925600000000, 0.0001697200000000, -0.0012429900000000 ] - [ -0.0010222200000000, -0.0004602800000000, -0.0005227200000000 ] - [ -0.0006853000000000, -0.0001363500000000, 0.0006963800000000 ] - [ -0.0010386700000000, -0.0004168500000000, -0.0002173900000000 ] - [ -0.0007480000000000, -0.0005714300000000, 0.0002171300000000 ] - [ -0.0010449600000000, -0.0005006000000000, -0.0002184700000000 ] - [ -0.0071130000000000, -0.0035898100000000, -0.0070245500000000 ] - [ -0.0001703300000000, -0.0002088600000000, -0.0001111700000000 ] - [ 0.0000836000000000, -0.0003534900000000, -0.0001778000000000 ] - [ -0.0000592200000000, -0.0002587200000000, 0.0000312600000000 ] - [ -0.0011457300000000, -0.0008821700000000, 0.0035832700000000 ] - [ 0.0000866100000000, -0.0003141900000000, 0.0003702900000000 ] - [ 0.0000092100000000, -0.0001473000000000, 0.0004278100000000 ] - [ -0.0000063800000000, -0.0002433700000000, 0.0001223200000000 ] - [ 0.0001710700000000, -0.0006342900000000, -0.0002406200000000 ] - [ -0.0000600200000000, -0.0000380700000000, -0.0003414100000000 ] - [ 0.0007516800000000, 0.0017638700000000, 0.0006047700000000 ] - [ -0.0001114800000000, 0.0001613900000000, -0.0003305400000000 ] - [ -0.0001606200000000, 0.0009427700000000, -0.0003126300000000 ] - [ 0.0000232000000000, 0.0000560400000000, -0.0004036300000000 ] - [ -0.0016943400000000, -0.0027464700000000, 0.0000417800000000 ] - [ 0.0000873900000000, -0.0002220500000000, -0.0004208900000000 ] - [ 0.0012447000000000, -0.0006317900000000, -0.0009029700000000 ] - [ 0.0004577100000000, -0.0008878100000000, -0.0011843800000000 ] - [ 0.0012165300000000, -0.0003469100000000, -0.0008071200000000 ] - [ 0.0007941100000000, 0.0000346500000000, -0.0006627700000000 ] - [ 0.0008118600000000, -0.0003006300000000, 0.0000968700000000 ] - [ 0.0010209000000000, -0.0003199900000000, 0.0000210000000000 ] - [ 0.0007896600000000, -0.0005417400000000, 0.0000679100000000 ] - [ 0.0009963500000000, -0.0005231600000000, -0.0000855600000000 ] - [ 0.0009620500000000, 0.0002349000000000, 0.0006006600000000 ] - [ -0.0016598300000000, 0.0006164800000000, -0.0001995800000000 ] - [ -0.0008213200000000, 0.0004008900000000, -0.0003049500000000 ] - [ -0.0010624700000000, 0.0004710600000000, -0.0003188700000000 ] - [ -0.0042354800000000, 0.0003706800000000, -0.0000887000000000 ] - [ -0.0000666500000000, 0.0002335400000000, -0.0002403800000000 ] - [ -0.0011748000000000, 0.0005241400000000, -0.0003910800000000 ] - [ -0.0009620600000000, 0.0004716500000000, -0.0003850100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017764400000000, -0.0001009900000000, -0.0001269900000000 ] - [ 0.0010540000000000, -0.0000976400000000, -0.0001300100000000 ] - [ -0.0025228200000000, -0.0000963200000000, -0.0001171500000000 ] - [ 0.0012697500000000, -0.0000970300000000, -0.0001316000000000 ] - [ -0.0025342200000000, -0.0001031300000000, -0.0001358400000000 ] - [ 0.0012482700000000, -0.0000951000000000, -0.0001311700000000 ] - [ -0.0034219400000000, -0.0000896000000000, -0.0001307000000000 ] - [ 0.0014687800000000, -0.0000958900000000, -0.0001293500000000 ] - [ -0.0007535900000000, 0.0001955800000000, 0.0003657400000000 ] - [ 0.0007355900000000, 0.0001796500000000, -0.0000975500000000 ] - [ -0.0007363100000000, -0.0000063500000000, 0.0002006300000000 ] - [ 0.0007586800000000, 0.0003449600000000, -0.0000963000000000 ] - [ -0.0006971400000000, 0.0082044700000000, -0.0009142200000000 ] - [ 0.0017181300000000, -0.0003300600000000, 0.0001649100000000 ] - [ -0.0003129200000000, -0.0052226500000000, 0.0004007800000000 ] - [ 0.0011906200000000, 0.0006139600000000, 0.0001712600000000 ] - [ 0.0002946500000000, 0.0008512100000000, -0.0080623900000000 ] - [ 0.0013036100000000, -0.0002920400000000, 0.0005978300000000 ] - [ -0.0006401000000000, -0.0003600100000000, -0.0000425100000000 ] - [ 0.0006000200000000, -0.0000018500000000, 0.0001755400000000 ] - [ -0.0000386000000000, 0.0008512400000000, 0.0083352900000000 ] - [ 0.0017675000000000, -0.0002306400000000, -0.0004508500000000 ] - [ -0.0007625100000000, -0.0002726700000000, 0.0000296500000000 ] - [ 0.0007206200000000, 0.0000175400000000, 0.0000622200000000 ] - [ 0.0000594800000000, 0.0003043500000000, 0.0001910700000000 ] - [ 0.0000643100000000, -0.0000946100000000, -0.0004497500000000 ] - [ 0.0000303300000000, 0.0003320600000000, 0.0000499100000000 ] - [ 0.0000329100000000, -0.0001263900000000, -0.0003081200000000 ] - [ 0.0116909300000000, -0.0019291500000000, -0.0006921600000000 ] - [ 0.0115586500000000, 0.0021425700000000, 0.0004477500000000 ] - [ 0.0000775600000000, 0.0005949200000000, -0.0002248400000000 ] - [ 0.0000819000000000, -0.0003903200000000, -0.0000303900000000 ] - [ 0.0013342900000000, -0.0000265800000000, -0.0004641400000000 ] - [ 0.0003238600000000, -0.0011486600000000, 0.0081356800000000 ] - [ 0.0006268600000000, -0.0003298400000000, -0.0000397600000000 ] - [ -0.0006104300000000, 0.0000302300000000, 0.0001779900000000 ] - [ 0.0017932700000000, -0.0000893200000000, 0.0005863000000000 ] - [ -0.0000008500000000, -0.0011498800000000, -0.0081649300000000 ] - [ 0.0007456100000000, -0.0003488600000000, 0.0000731600000000 ] - [ -0.0007318700000000, -0.0000595000000000, 0.0001027500000000 ] - [ 0.0007062500000000, 0.0001473700000000, 0.0002315800000000 ] - [ -0.0007783500000000, 0.0001275600000000, -0.0002337100000000 ] - [ 0.0007309600000000, -0.0000208300000000, 0.0002306500000000 ] - [ -0.0007604800000000, 0.0003308800000000, -0.0000643200000000 ] - [ 0.0016864600000000, 0.0006575200000000, -0.0000278900000000 ] - [ -0.0007134300000000, -0.0078423300000000, 0.0010597100000000 ] - [ 0.0011663700000000, -0.0002933400000000, -0.0000363200000000 ] - [ -0.0003299100000000, 0.0055044000000000, -0.0002751200000000 ] - [ -0.4449895600000000, -0.0044578500000000, -0.0030146600000000 ] - [ 0.0060930900000000, 0.0013164300000000, 0.0010248600000000 ] - [ -0.0023640000000000, 0.0013087000000000, 0.0010315700000000 ] - [ 0.0026326500000000, 0.0013123600000000, 0.0010270000000000 ] - [ -0.0027490300000000, 0.0013169200000000, 0.0010271800000000 ] - [ 0.0028681000000000, 0.0013163100000000, 0.0010268000000000 ] - [ -0.0022881000000000, 0.0013120100000000, 0.0010242400000000 ] - [ 0.0021479500000000, 0.0013118300000000, 0.0010250200000000 ] - [ 0.0026702900000000, 0.0005402800000000, -0.0002496500000000 ] - [ 0.0026728400000000, -0.0031701600000000, 0.0023005800000000 ] - [ 0.0009325200000000, -0.0056805300000000, -0.0011036400000000 ] - [ 0.0009465900000000, 0.0029976800000000, 0.0031390300000000 ] - [ 0.0026603100000000, 0.0009566800000000, 0.0033580100000000 ] - [ 0.0026816400000000, -0.0036013700000000, -0.0013099300000000 ] - [ 0.0009348900000000, -0.0055651700000000, 0.0049919600000000 ] - [ 0.0009449600000000, 0.0029227500000000, -0.0028955200000000 ] - [ 0.0011420000000000, -0.0000085100000000, -0.0003729400000000 ] - [ -0.0009489600000000, -0.0000117200000000, -0.0003731800000000 ] - [ 0.0010344700000000, -0.0000122100000000, -0.0003753300000000 ] - [ -0.0011273800000000, -0.0000132800000000, -0.0003722700000000 ] - [ 0.0029230600000000, -0.0000047000000000, -0.0003743400000000 ] - [ -0.0012988600000000, -0.0000105100000000, -0.0003746000000000 ] - [ 0.0427251100000000, 0.0004684200000000, -0.0005027900000000 ] - [ -0.0019338300000000, -0.0000108000000000, -0.0003737200000000 ] - [ 0.0429328400000000, 0.0002671100000000, 0.0005863800000000 ] - [ -0.0018854300000000, 0.0002464600000000, 0.0000498300000000 ] - [ 0.0010744600000000, 0.0002509700000000, 0.0000413700000000 ] - [ -0.0009876900000000, 0.0002498000000000, 0.0000487400000000 ] - [ 0.0036362400000000, 0.0002451100000000, 0.0000549800000000 ] - [ -0.0014235200000000, 0.0002464000000000, 0.0000475000000000 ] - [ 0.0010910300000000, 0.0002504100000000, 0.0000511900000000 ] - [ -0.0009950300000000, 0.0002501100000000, 0.0000506600000000 ] - [ -0.0000198400000000, -0.0022233500000000, 0.0024946100000000 ] - [ -0.0004263300000000, 0.0009019700000000, -0.0007742800000000 ] - [ 0.0015045500000000, 0.0021077100000000, 0.0006461700000000 ] - [ -0.0004474100000000, -0.0007279400000000, -0.0004055300000000 ] - [ 0.0002636700000000, -0.0019745700000000, -0.0026072400000000 ] - [ -0.0006730300000000, 0.0005277600000000, 0.0003579500000000 ] - [ 0.0024559900000000, 0.0017546400000000, -0.0011987500000000 ] - [ -0.0007541300000000, -0.0007421400000000, 0.0007062500000000 ] - [ 0.0010137800000000, 0.0001964600000000, -0.0001067300000000 ] - [ -0.0026587700000000, -0.0007720800000000, -0.0006202500000000 ] - [ 0.0002754000000000, -0.0000843600000000, -0.0001543400000000 ] - [ -0.0022161700000000, -0.0008090600000000, -0.0005125200000000 ] - [ 0.1765879000000000, 0.0754543300000000, 0.0533461600000000 ] - [ -0.0055350100000000, -0.0011306900000000, -0.0008079500000000 ] - [ 0.0006362500000000, -0.0000174600000000, -0.0001144500000000 ] - [ -0.0025491200000000, -0.0008792800000000, -0.0006391600000000 ] - [ -0.0005647900000000, -0.0006262700000000, 0.0009155300000000 ] - [ -0.0005676700000000, 0.0001297600000000, -0.0008199400000000 ] - [ -0.0000450400000000, 0.0005656200000000, 0.0012023000000000 ] - [ -0.0000498600000000, -0.0010513300000000, -0.0010946900000000 ] - [ -0.0016625800000000, -0.0025830900000000, -0.0013324200000000 ] - [ -0.0016729700000000, 0.0020934300000000, 0.0014243400000000 ] - [ -0.0019642700000000, 0.0031759600000000, -0.0023213200000000 ] - [ -0.0019499500000000, -0.0036453500000000, 0.0023864500000000 ] - [ -0.0021880800000000, 0.0028891400000000, 0.0033922500000000 ] - [ -0.0021701600000000, -0.0028376700000000, -0.0041026200000000 ] - [ -0.0004586000000000, -0.0010032500000000, -0.0003277600000000 ] - [ -0.0004620400000000, 0.0010297300000000, -0.0004190700000000 ] - [ -0.0017239900000000, 0.0021241400000000, -0.0028301600000000 ] - [ -0.0017249600000000, -0.0021037900000000, 0.0020729500000000 ] - [ -0.0003482400000000, -0.0013571900000000, -0.0010544800000000 ] - [ -0.0003525900000000, 0.0013912500000000, 0.0003107000000000 ] - [ -0.0006633900000000, -0.0001569300000000, -0.0000844500000000 ] - [ 0.0029950600000000, -0.0011206200000000, -0.0005971100000000 ] - [ -0.0002271800000000, -0.0001077900000000, -0.0001919100000000 ] - [ 0.0022640600000000, -0.0008340900000000, -0.0005495000000000 ] - [ -0.0035484500000000, 0.0002011700000000, 0.0000990000000000 ] - [ 0.1711589400000000, -0.0712316700000000, -0.0504704600000000 ] - [ -0.0005576700000000, -0.0000368900000000, -0.0000668100000000 ] - [ 0.0026141300000000, -0.0008957700000000, -0.0005899300000000 ] - [ -0.0024107600000000, 0.0000141400000000, 0.0000705600000000 ] - [ -0.0020145100000000, 0.0031346400000000, -0.0031963700000000 ] - [ -0.0024407300000000, 0.0016645400000000, -0.0002990000000000 ] - [ -0.0005050700000000, -0.0011718000000000, -0.0013514400000000 ] - [ -0.0026554800000000, 0.0003910500000000, -0.0010611600000000 ] - [ -0.0017361500000000, 0.0029014100000000, 0.0019132900000000 ] - [ -0.0027443100000000, 0.0016700400000000, -0.0014203000000000 ] - [ 0.0004476000000000, -0.0008232700000000, 0.0004869600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0011613000000000, -0.0011627700000000 ] - [ 0.0000000000000000, 0.0001122200000000, -0.0002135100000000 ] - [ 0.0000000000000000, 0.0007221600000000, 0.0091571600000000 ] - [ 0.0000000000000000, -0.0003828600000000, -0.0001411500000000 ] - [ 0.0000000000000000, 0.0020015700000000, 0.0010885900000000 ] - [ 0.0000000000000000, 0.0001437700000000, -0.0000950800000000 ] - [ 0.0000000000000000, 0.0005282000000000, -0.0096450100000000 ] - [ 0.0000000000000000, -0.0004151500000000, -0.0000460300000000 ] - [ -0.0001723000000000, 0.0001185600000000, 0.0002783800000000 ] - [ -0.0001896000000000, 0.0000446600000000, 0.0001481500000000 ] - [ 0.0000579900000000, 0.0002402600000000, -0.0002266600000000 ] - [ 0.0003003500000000, 0.0002776200000000, -0.0000353300000000 ] - [ 0.0052369500000000, 0.0087379500000000, -0.0001454600000000 ] - [ -0.0006780700000000, 0.0004718800000000, 0.0000084400000000 ] - [ -0.0079503100000000, 0.0083113200000000, 0.0010448400000000 ] - [ 0.0006725900000000, 0.0002335400000000, 0.0001470900000000 ] - [ 0.0012547500000000, -0.0014966600000000, -0.0042321900000000 ] - [ -0.0001401200000000, -0.0006503400000000, -0.0002483200000000 ] - [ -0.0003404000000000, 0.0010321800000000, 0.0005304400000000 ] - [ 0.0000892800000000, 0.0003863900000000, 0.0001008400000000 ] - [ 0.0013557000000000, -0.0026992600000000, 0.0045620300000000 ] - [ -0.0004625300000000, -0.0007202100000000, 0.0005478800000000 ] - [ -0.0005591400000000, 0.0014680000000000, -0.0005178000000000 ] - [ 0.0000929600000000, 0.0004909200000000, 0.0000454600000000 ] - [ -0.0000011700000000, -0.0004845500000000, -0.0000954000000000 ] - [ 0.0000011700000000, -0.0004845500000000, -0.0000954000000000 ] - [ -0.0001071400000000, 0.0006911100000000, -0.0000936400000000 ] - [ 0.0001071400000000, 0.0006911100000000, -0.0000936400000000 ] - [ 0.0009685800000000, -0.0043963700000000, -0.0009285200000000 ] - [ -0.0009685800000000, -0.0043963700000000, -0.0009285200000000 ] - [ -0.0003223300000000, 0.0011977300000000, -0.0001273900000000 ] - [ 0.0003223300000000, 0.0011977300000000, -0.0001273900000000 ] - [ 0.0001401200000000, -0.0006503400000000, -0.0002483200000000 ] - [ -0.0012547500000000, -0.0014966600000000, -0.0042321900000000 ] - [ -0.0000892800000000, 0.0003863900000000, 0.0001008400000000 ] - [ 0.0003404000000000, 0.0010321800000000, 0.0005304400000000 ] - [ 0.0004625300000000, -0.0007202100000000, 0.0005478800000000 ] - [ -0.0013557000000000, -0.0026992600000000, 0.0045620300000000 ] - [ -0.0000929600000000, 0.0004909200000000, 0.0000454600000000 ] - [ 0.0005591400000000, 0.0014680000000000, -0.0005178000000000 ] - [ 0.0001896000000000, 0.0000446600000000, 0.0001481500000000 ] - [ 0.0001723000000000, 0.0001185600000000, 0.0002783800000000 ] - [ -0.0003003500000000, 0.0002776200000000, -0.0000353300000000 ] - [ -0.0000579900000000, 0.0002402600000000, -0.0002266600000000 ] - [ 0.0006780700000000, 0.0004718800000000, 0.0000084400000000 ] - [ -0.0052369500000000, 0.0087379500000000, -0.0001454600000000 ] - [ -0.0006725900000000, 0.0002335400000000, 0.0001470900000000 ] - [ 0.0079503100000000, 0.0083113200000000, 0.0010448400000000 ] - [ 0.0000000000000000, -0.4446144700000000, 0.0020378700000000 ] - [ 0.0000000000000000, -0.0009870200000000, 0.0003437000000000 ] - [ 0.0000000000000000, 0.0107555300000000, 0.0008657100000000 ] - [ 0.0000000000000000, 0.0025722900000000, 0.0011146100000000 ] - [ 0.0000000000000000, -0.0001327500000000, 0.0010857900000000 ] - [ 0.0000000000000000, 0.0003875500000000, 0.0010940000000000 ] - [ 0.0000000000000000, 0.0030658300000000, 0.0008210000000000 ] - [ 0.0000000000000000, 0.0022295800000000, 0.0011080500000000 ] - [ 0.0022880000000000, 0.0009923600000000, 0.0001361900000000 ] - [ -0.0022880000000000, 0.0009923600000000, 0.0001361900000000 ] - [ -0.0042299800000000, -0.0052555300000000, 0.0023944000000000 ] - [ 0.0042299800000000, -0.0052555300000000, 0.0023944000000000 ] - [ 0.0018592000000000, 0.0009882800000000, 0.0022368900000000 ] - [ -0.0018592000000000, 0.0009882800000000, 0.0022368900000000 ] - [ -0.0043434600000000, -0.0052656700000000, -0.0018309200000000 ] - [ 0.0043434600000000, -0.0052656700000000, -0.0018309200000000 ] - [ 0.0000000000000000, -0.0011896200000000, -0.0001208400000000 ] - [ 0.0000000000000000, -0.0005550000000000, -0.0002888400000000 ] - [ 0.0000000000000000, 0.0016586800000000, -0.0005135800000000 ] - [ 0.0000000000000000, 0.0005925100000000, -0.0004561000000000 ] - [ 0.0000000000000000, -0.0075876900000000, 0.0002853400000000 ] - [ 0.0000000000000000, -0.0008442200000000, -0.0002420100000000 ] - [ 0.0000000000000000, 0.2150290700000000, -0.0579009000000000 ] - [ 0.0000000000000000, 0.0012817000000000, -0.0005724300000000 ] - [ 0.0000000000000000, 0.0441941700000000, -0.0031506700000000 ] - [ 0.0000000000000000, 0.0008873000000000, 0.0005281900000000 ] - [ 0.0000000000000000, -0.0022429300000000, -0.0000581100000000 ] - [ 0.0000000000000000, -0.0002292500000000, 0.0000001000000000 ] - [ 0.0000000000000000, 0.0035140700000000, -0.0001724000000000 ] - [ 0.0000000000000000, 0.0007298900000000, -0.0000889700000000 ] - [ 0.0000000000000000, -0.0009549100000000, 0.0002926800000000 ] - [ 0.0000000000000000, -0.0002089800000000, -0.0000029400000000 ] - [ -0.0009726600000000, -0.0016390500000000, 0.0018488900000000 ] - [ 0.0017488800000000, 0.0001485800000000, -0.0000583900000000 ] - [ 0.0051252100000000, 0.0005594600000000, -0.0040040200000000 ] - [ -0.0003462500000000, 0.0007683300000000, -0.0003951100000000 ] - [ -0.0003876500000000, -0.0011224300000000, -0.0016136700000000 ] - [ 0.0017627200000000, 0.0003600700000000, -0.0007646100000000 ] - [ 0.0044955500000000, 0.0004145600000000, 0.0019131400000000 ] - [ -0.0003900400000000, 0.0005048000000000, 0.0003682200000000 ] - [ -0.0005566800000000, 0.0002438000000000, -0.0002564100000000 ] - [ -0.0009118900000000, 0.0000016700000000, -0.0003120700000000 ] - [ -0.0011225700000000, -0.0013041100000000, -0.0004503700000000 ] - [ -0.0011335500000000, -0.0009593000000000, -0.0003958400000000 ] - [ 0.0736966900000000, 0.0853138200000000, 0.0297568600000000 ] - [ 0.0000001100000000, 0.0004015100000000, -0.0001977300000000 ] - [ -0.0014382800000000, -0.0053802400000000, -0.0006300700000000 ] - [ -0.0012614800000000, -0.0011383000000000, -0.0004288100000000 ] - [ -0.0004549100000000, -0.0007185700000000, 0.0007457400000000 ] - [ 0.0004549100000000, -0.0007185700000000, 0.0007457400000000 ] - [ 0.0007926300000000, 0.0006507800000000, -0.0006306900000000 ] - [ -0.0007926300000000, 0.0006507800000000, -0.0006306900000000 ] - [ -0.0009672200000000, -0.0018062800000000, -0.0007728600000000 ] - [ 0.0009672200000000, -0.0018062800000000, -0.0007728600000000 ] - [ 0.0037666600000000, 0.0013306100000000, 0.0016928700000000 ] - [ -0.0037666600000000, 0.0013306100000000, 0.0016928700000000 ] - [ 0.0004392400000000, 0.0030019000000000, 0.0003859000000000 ] - [ -0.0004392400000000, 0.0030019000000000, 0.0003859000000000 ] - [ -0.0002130400000000, -0.0016425700000000, -0.0005162900000000 ] - [ 0.0002130400000000, -0.0016425700000000, -0.0005162900000000 ] - [ -0.0001149000000000, 0.0034197600000000, -0.0007240300000000 ] - [ 0.0001149000000000, 0.0034197600000000, -0.0007240300000000 ] - [ -0.0001089300000000, -0.0017342800000000, -0.0007357200000000 ] - [ 0.0001089300000000, -0.0017342800000000, -0.0007357200000000 ] - [ 0.0009118900000000, 0.0000016700000000, -0.0003120700000000 ] - [ 0.0005566800000000, 0.0002438000000000, -0.0002564100000000 ] - [ 0.0011335500000000, -0.0009593000000000, -0.0003958400000000 ] - [ 0.0011225700000000, -0.0013041100000000, -0.0004503700000000 ] - [ -0.0000001100000000, 0.0004015100000000, -0.0001977300000000 ] - [ -0.0736966900000000, 0.0853138200000000, 0.0297568600000000 ] - [ 0.0012614800000000, -0.0011383000000000, -0.0004288100000000 ] - [ 0.0014382800000000, -0.0053802400000000, -0.0006300700000000 ] - [ -0.0017488800000000, 0.0001485800000000, -0.0000583900000000 ] - [ 0.0009726600000000, -0.0016390500000000, 0.0018488900000000 ] - [ 0.0003462500000000, 0.0007683300000000, -0.0003951100000000 ] - [ -0.0051252100000000, 0.0005594600000000, -0.0040040200000000 ] - [ -0.0017627200000000, 0.0003600700000000, -0.0007646100000000 ] - [ 0.0003876500000000, -0.0011224300000000, -0.0016136700000000 ] - [ 0.0003900400000000, 0.0005048000000000, 0.0003682200000000 ] - [ -0.0044955500000000, 0.0004145600000000, 0.0019131400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0013539300000000, 0.0008937400000000 ] - [ 0.0000000000000000, -0.0003078400000000, -0.0000442500000000 ] - [ 0.0000000000000000, -0.0009393300000000, -0.0094979900000000 ] - [ 0.0000000000000000, 0.0001895100000000, -0.0001175700000000 ] - [ 0.0000000000000000, -0.0021914100000000, -0.0013336100000000 ] - [ 0.0000000000000000, -0.0003381100000000, -0.0001636100000000 ] - [ 0.0000000000000000, -0.0007386600000000, 0.0094309700000000 ] - [ 0.0000000000000000, 0.0002192600000000, -0.0002127400000000 ] - [ 0.0001995400000000, 0.0002057200000000, -0.0001441100000000 ] - [ 0.0002173900000000, 0.0002826100000000, -0.0000136500000000 ] - [ -0.0000299100000000, 0.0000893900000000, 0.0003581800000000 ] - [ -0.0002729100000000, 0.0000513000000000, 0.0001690700000000 ] - [ -0.0051231600000000, -0.0083374200000000, 0.0002798300000000 ] - [ 0.0007082500000000, -0.0001487100000000, 0.0001283800000000 ] - [ 0.0080351300000000, -0.0080636400000000, -0.0008897900000000 ] - [ -0.0006472500000000, 0.0000952000000000, -0.0000111600000000 ] - [ -0.0012675700000000, 0.0011544400000000, 0.0043677700000000 ] - [ 0.0001132600000000, 0.0003226900000000, 0.0003860600000000 ] - [ 0.0003147200000000, -0.0013600700000000, -0.0003975300000000 ] - [ -0.0001181100000000, -0.0007128900000000, 0.0000347800000000 ] - [ -0.0013813200000000, 0.0023515200000000, -0.0044162700000000 ] - [ 0.0004388700000000, 0.0003921600000000, -0.0004165000000000 ] - [ 0.0005303700000000, -0.0017888500000000, 0.0006548300000000 ] - [ -0.0001212000000000, -0.0008158500000000, 0.0000903200000000 ] - [ -0.0000015000000000, 0.0006918900000000, -0.0001626500000000 ] - [ 0.0000015000000000, 0.0006918900000000, -0.0001626500000000 ] - [ 0.0001076800000000, -0.0004861700000000, -0.0001644700000000 ] - [ -0.0001076800000000, -0.0004861700000000, -0.0001644700000000 ] - [ -0.0009700100000000, 0.0046072400000000, 0.0006677000000000 ] - [ 0.0009700100000000, 0.0046072400000000, 0.0006677000000000 ] - [ 0.0003266500000000, -0.0009926200000000, -0.0001289500000000 ] - [ -0.0003266500000000, -0.0009926200000000, -0.0001289500000000 ] - [ -0.0001132600000000, 0.0003226900000000, 0.0003860600000000 ] - [ 0.0012675700000000, 0.0011544400000000, 0.0043677700000000 ] - [ 0.0001181100000000, -0.0007128900000000, 0.0000347800000000 ] - [ -0.0003147200000000, -0.0013600700000000, -0.0003975300000000 ] - [ -0.0004388700000000, 0.0003921600000000, -0.0004165000000000 ] - [ 0.0013813200000000, 0.0023515200000000, -0.0044162700000000 ] - [ 0.0001212000000000, -0.0008158500000000, 0.0000903200000000 ] - [ -0.0005303700000000, -0.0017888500000000, 0.0006548300000000 ] - [ -0.0002173900000000, 0.0002826100000000, -0.0000136500000000 ] - [ -0.0001995400000000, 0.0002057200000000, -0.0001441100000000 ] - [ 0.0002729100000000, 0.0000513000000000, 0.0001690700000000 ] - [ 0.0000299100000000, 0.0000893900000000, 0.0003581800000000 ] - [ -0.0007082500000000, -0.0001487100000000, 0.0001283800000000 ] - [ 0.0051231600000000, -0.0083374200000000, 0.0002798300000000 ] - [ 0.0006472500000000, 0.0000952000000000, -0.0000111600000000 ] - [ -0.0080351300000000, -0.0080636400000000, -0.0008897900000000 ] - [ 0.0000000000000000, 0.4589878300000000, -0.0079966600000000 ] - [ 0.0000000000000000, 0.0036257300000000, 0.0017176600000000 ] - [ 0.0000000000000000, -0.0080749900000000, 0.0011742900000000 ] - [ 0.0000000000000000, 0.0000593400000000, 0.0009406700000000 ] - [ 0.0000000000000000, 0.0027726000000000, 0.0009692200000000 ] - [ 0.0000000000000000, 0.0022440700000000, 0.0009566700000000 ] - [ 0.0000000000000000, -0.0004325200000000, 0.0012315500000000 ] - [ 0.0000000000000000, 0.0004030700000000, 0.0009442700000000 ] - [ -0.0022711900000000, -0.0036221400000000, 0.0019129200000000 ] - [ 0.0022711900000000, -0.0036221400000000, 0.0019129200000000 ] - [ 0.0042546300000000, 0.0026584200000000, -0.0003460900000000 ] - [ -0.0042546300000000, 0.0026584200000000, -0.0003460900000000 ] - [ -0.0018522800000000, -0.0036259500000000, -0.0001809300000000 ] - [ 0.0018522800000000, -0.0036259500000000, -0.0001809300000000 ] - [ 0.0043316400000000, 0.0026488200000000, 0.0038930400000000 ] - [ -0.0043316400000000, 0.0026488200000000, 0.0038930400000000 ] - [ 0.0000000000000000, 0.0011687400000000, -0.0006246300000000 ] - [ 0.0000000000000000, 0.0005285600000000, -0.0004566800000000 ] - [ 0.0000000000000000, -0.0016850300000000, -0.0002312900000000 ] - [ 0.0000000000000000, -0.0006151900000000, -0.0002904300000000 ] - [ 0.0000000000000000, 0.0075059300000000, -0.0010290700000000 ] - [ 0.0000000000000000, 0.0008213800000000, -0.0005065700000000 ] - [ 0.0000000000000000, -0.2276909000000000, 0.0619976800000000 ] - [ 0.0000000000000000, -0.0013060900000000, -0.0001770300000000 ] - [ 0.0000000000000000, -0.0438043100000000, 0.0043042700000000 ] - [ 0.0000000000000000, -0.0003910400000000, -0.0004321100000000 ] - [ 0.0000000000000000, 0.0027358400000000, 0.0001630500000000 ] - [ 0.0000000000000000, 0.0007266100000000, 0.0000950500000000 ] - [ 0.0000000000000000, -0.0030148200000000, 0.0002776900000000 ] - [ 0.0000000000000000, -0.0002321000000000, 0.0001905200000000 ] - [ 0.0000000000000000, 0.0014494000000000, -0.0001985900000000 ] - [ 0.0000000000000000, 0.0007059700000000, 0.0000956000000000 ] - [ 0.0029439200000000, 0.0025579100000000, -0.0025412300000000 ] - [ 0.0002483700000000, 0.0007780500000000, -0.0006497900000000 ] - [ -0.0031663800000000, 0.0003588600000000, 0.0033205100000000 ] - [ 0.0023422400000000, 0.0001508900000000, -0.0003114000000000 ] - [ 0.0023675000000000, 0.0020478400000000, 0.0009044700000000 ] - [ 0.0002317700000000, 0.0005676800000000, 0.0000588000000000 ] - [ -0.0025059100000000, 0.0005021100000000, -0.0026167600000000 ] - [ 0.0023745800000000, 0.0004157500000000, -0.0010742300000000 ] - [ -0.0014265800000000, -0.0011602100000000, -0.0004488200000000 ] - [ -0.0010800800000000, -0.0009219100000000, -0.0003931100000000 ] - [ -0.0008666700000000, 0.0003834400000000, -0.0002516800000000 ] - [ -0.0008516500000000, 0.0000410900000000, -0.0003066100000000 ] - [ -0.0732693200000000, -0.0857684800000000, -0.0294713800000000 ] - [ -0.0019976900000000, -0.0013230400000000, -0.0005107400000000 ] - [ -0.0005561300000000, 0.0044499600000000, -0.0000805800000000 ] - [ -0.0007246900000000, 0.0002192900000000, -0.0002772500000000 ] - [ 0.0004521700000000, 0.0002233900000000, -0.0006421300000000 ] - [ -0.0004521700000000, 0.0002233900000000, -0.0006421300000000 ] - [ -0.0007953600000000, -0.0011514600000000, 0.0007332200000000 ] - [ 0.0007953600000000, -0.0011514600000000, 0.0007332200000000 ] - [ 0.0009597100000000, 0.0013156400000000, 0.0008633100000000 ] - [ -0.0009597100000000, 0.0013156400000000, 0.0008633100000000 ] - [ -0.0037715600000000, -0.0018351600000000, -0.0016096500000000 ] - [ 0.0037715600000000, -0.0018351600000000, -0.0016096500000000 ] - [ -0.0004307300000000, -0.0029892400000000, -0.0011432300000000 ] - [ 0.0004307300000000, -0.0029892400000000, -0.0011432300000000 ] - [ 0.0002085800000000, 0.0016691700000000, -0.0002295100000000 ] - [ -0.0002085800000000, 0.0016691700000000, -0.0002295100000000 ] - [ 0.0001231200000000, -0.0033994600000000, -0.0000155400000000 ] - [ -0.0001231200000000, -0.0033994600000000, -0.0000155400000000 ] - [ 0.0001072400000000, 0.0017569900000000, -0.0000125100000000 ] - [ -0.0001072400000000, 0.0017569900000000, -0.0000125100000000 ] - [ 0.0010800800000000, -0.0009219100000000, -0.0003931100000000 ] - [ 0.0014265800000000, -0.0011602100000000, -0.0004488200000000 ] - [ 0.0008516500000000, 0.0000410900000000, -0.0003066100000000 ] - [ 0.0008666700000000, 0.0003834400000000, -0.0002516800000000 ] - [ 0.0019976900000000, -0.0013230400000000, -0.0005107400000000 ] - [ 0.0732693200000000, -0.0857684800000000, -0.0294713800000000 ] - [ 0.0007246900000000, 0.0002192900000000, -0.0002772500000000 ] - [ 0.0005561300000000, 0.0044499600000000, -0.0000805800000000 ] - [ -0.0002483700000000, 0.0007780500000000, -0.0006497900000000 ] - [ -0.0029439200000000, 0.0025579100000000, -0.0025412300000000 ] - [ -0.0023422400000000, 0.0001508900000000, -0.0003114000000000 ] - [ 0.0031663800000000, 0.0003588600000000, 0.0033205100000000 ] - [ -0.0002317700000000, 0.0005676800000000, 0.0000588000000000 ] - [ -0.0023675000000000, 0.0020478400000000, 0.0009044700000000 ] - [ -0.0023745800000000, 0.0004157500000000, -0.0010742300000000 ] - [ 0.0025059100000000, 0.0005021100000000, -0.0026167600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0027266800000000, 0.0000067300000000 ] - [ 0.0000000000000000, -0.0001894300000000, -0.0001610500000000 ] - [ 0.0000000000000000, 0.0101045600000000, 0.0054558000000000 ] - [ 0.0000000000000000, -0.0002132400000000, -0.0001590300000000 ] - [ 0.0000000000000000, 0.0011719200000000, 0.0008192000000000 ] - [ 0.0000000000000000, 0.0000335700000000, -0.0000723300000000 ] - [ 0.0000000000000000, -0.0056759000000000, 0.0067530000000000 ] - [ 0.0000000000000000, -0.0000279600000000, -0.0000245100000000 ] - [ -0.0002035700000000, -0.0003190000000000, 0.0012764900000000 ] - [ 0.0000976800000000, 0.0001402100000000, 0.0005219100000000 ] - [ -0.0002323200000000, 0.0005860700000000, 0.0013786200000000 ] - [ 0.0001506400000000, 0.0002638500000000, 0.0007432600000000 ] - [ -0.0003960400000000, 0.0013515500000000, -0.0032799100000000 ] - [ -0.0003762800000000, 0.0004219300000000, -0.0004523300000000 ] - [ 0.0013257600000000, -0.0001977300000000, -0.0030039700000000 ] - [ -0.0001490000000000, 0.0000640400000000, -0.0007475600000000 ] - [ -0.0090352900000000, -0.0045062000000000, 0.0056573500000000 ] - [ 0.0006461500000000, -0.0004731700000000, -0.0001031400000000 ] - [ 0.0002212200000000, 0.0003688600000000, -0.0001573100000000 ] - [ 0.0002447200000000, 0.0000986300000000, 0.0000651500000000 ] - [ 0.0050558800000000, 0.0023278000000000, 0.0071404300000000 ] - [ -0.0005654200000000, -0.0000890600000000, 0.0003852100000000 ] - [ -0.0000212500000000, -0.0005126900000000, 0.0004431300000000 ] - [ -0.0002439200000000, -0.0003241100000000, 0.0001291400000000 ] - [ -0.0005039900000000, 0.0001245200000000, 0.0012226400000000 ] - [ 0.0005039900000000, 0.0001245200000000, 0.0012226400000000 ] - [ -0.0000416900000000, 0.0000821300000000, 0.0003904500000000 ] - [ 0.0000416900000000, 0.0000821300000000, 0.0003904500000000 ] - [ 0.0013098800000000, -0.0009829100000000, -0.0032877300000000 ] - [ -0.0013098800000000, -0.0009829100000000, -0.0032877300000000 ] - [ 0.0002278700000000, 0.0001711500000000, -0.0007528800000000 ] - [ -0.0002278700000000, 0.0001711500000000, -0.0007528800000000 ] - [ -0.0006461500000000, -0.0004731700000000, -0.0001031400000000 ] - [ 0.0090352900000000, -0.0045062000000000, 0.0056573500000000 ] - [ -0.0002447200000000, 0.0000986300000000, 0.0000651500000000 ] - [ -0.0002212200000000, 0.0003688600000000, -0.0001573100000000 ] - [ 0.0005654200000000, -0.0000890600000000, 0.0003852100000000 ] - [ -0.0050558800000000, 0.0023278000000000, 0.0071404300000000 ] - [ 0.0002439200000000, -0.0003241100000000, 0.0001291400000000 ] - [ 0.0000212500000000, -0.0005126900000000, 0.0004431300000000 ] - [ -0.0000976800000000, 0.0001402100000000, 0.0005219100000000 ] - [ 0.0002035700000000, -0.0003190000000000, 0.0012764900000000 ] - [ -0.0001506400000000, 0.0002638500000000, 0.0007432600000000 ] - [ 0.0002323200000000, 0.0005860700000000, 0.0013786200000000 ] - [ 0.0003762800000000, 0.0004219300000000, -0.0004523300000000 ] - [ 0.0003960400000000, 0.0013515500000000, -0.0032799100000000 ] - [ 0.0001490000000000, 0.0000640400000000, -0.0007475600000000 ] - [ -0.0013257600000000, -0.0001977300000000, -0.0030039700000000 ] - [ 0.0000000000000000, 0.0059924100000000, -0.4460075600000000 ] - [ 0.0000000000000000, 0.0006299300000000, -0.0009015800000000 ] - [ 0.0000000000000000, 0.0011644000000000, -0.0013919700000000 ] - [ 0.0000000000000000, 0.0014001000000000, 0.0000684400000000 ] - [ 0.0000000000000000, 0.0013712200000000, 0.0148443800000000 ] - [ 0.0000000000000000, 0.0013798700000000, 0.0023274300000000 ] - [ 0.0000000000000000, 0.0011086000000000, 0.0026410700000000 ] - [ 0.0000000000000000, 0.0013959700000000, 0.0018444600000000 ] - [ -0.0023311400000000, -0.0025236700000000, 0.0017815400000000 ] - [ 0.0023311400000000, -0.0025236700000000, 0.0017815400000000 ] - [ -0.0039394400000000, 0.0015478100000000, 0.0029775300000000 ] - [ 0.0039394400000000, 0.0015478100000000, 0.0029775300000000 ] - [ 0.0012796300000000, -0.0004254500000000, 0.0017683900000000 ] - [ -0.0012796300000000, -0.0004254500000000, 0.0017683900000000 ] - [ 0.0021291400000000, -0.0026890800000000, 0.0029627100000000 ] - [ -0.0021291400000000, -0.0026890800000000, 0.0029627100000000 ] - [ 0.0000000000000000, 0.0006334500000000, -0.0012284900000000 ] - [ 0.0000000000000000, 0.0000382600000000, -0.0007088600000000 ] - [ 0.0000000000000000, 0.0003811800000000, -0.0060012800000000 ] - [ 0.0000000000000000, 0.0001166200000000, -0.0009585500000000 ] - [ 0.0000000000000000, -0.0012599000000000, 0.0008047400000000 ] - [ 0.0000000000000000, -0.0001717100000000, -0.0000140200000000 ] - [ 0.0000000000000000, -0.0601710200000000, 0.0633998400000000 ] - [ 0.0000000000000000, 0.0001867800000000, 0.0002197500000000 ] - [ 0.0000000000000000, -0.0029111800000000, 0.2423427900000000 ] - [ 0.0000000000000000, 0.0005048800000000, 0.0012842100000000 ] - [ 0.0000000000000000, 0.0002620100000000, 0.0018277200000000 ] - [ 0.0000000000000000, 0.0001591000000000, 0.0007010800000000 ] - [ 0.0000000000000000, 0.0003413700000000, -0.0108480700000000 ] - [ 0.0000000000000000, 0.0001849300000000, -0.0008075100000000 ] - [ 0.0000000000000000, 0.0003123200000000, -0.0011826600000000 ] - [ 0.0000000000000000, 0.0002504300000000, -0.0004758200000000 ] - [ 0.0039303500000000, 0.0030569600000000, 0.0002776000000000 ] - [ 0.0000512100000000, 0.0004495000000000, -0.0000145200000000 ] - [ 0.0036073900000000, -0.0025098300000000, -0.0000603200000000 ] - [ -0.0005305900000000, -0.0004749400000000, 0.0000397200000000 ] - [ 0.0000461700000000, -0.0004927500000000, -0.0014148300000000 ] - [ 0.0016060900000000, 0.0004528600000000, -0.0007774300000000 ] - [ 0.0002629600000000, 0.0012070100000000, -0.0016428200000000 ] - [ 0.0019197200000000, 0.0009766800000000, -0.0010503500000000 ] - [ -0.0013530200000000, -0.0007333200000000, -0.0061503800000000 ] - [ -0.0012993000000000, -0.0004571900000000, -0.0009580500000000 ] - [ -0.0010851200000000, -0.0006915900000000, -0.0010200500000000 ] - [ -0.0011440000000000, -0.0005783000000000, -0.0007796300000000 ] - [ 0.0512830500000000, 0.0293052300000000, 0.0640362800000000 ] - [ -0.0002423000000000, -0.0002499400000000, 0.0002954500000000 ] - [ -0.0012650800000000, 0.0002290100000000, 0.0002856100000000 ] - [ -0.0008378300000000, -0.0004278100000000, 0.0000729800000000 ] - [ 0.0004770800000000, 0.0001069300000000, -0.0006933600000000 ] - [ -0.0004770800000000, 0.0001069300000000, -0.0006933600000000 ] - [ 0.0006607900000000, -0.0007452800000000, -0.0013424600000000 ] - [ -0.0006607900000000, -0.0007452800000000, -0.0013424600000000 ] - [ -0.0007310400000000, -0.0011227200000000, -0.0001506000000000 ] - [ 0.0007310400000000, -0.0011227200000000, -0.0001506000000000 ] - [ -0.0018952700000000, 0.0009363000000000, -0.0001631300000000 ] - [ 0.0018952700000000, 0.0009363000000000, -0.0001631300000000 ] - [ 0.0042080200000000, -0.0013991500000000, -0.0003209100000000 ] - [ -0.0042080200000000, -0.0013991500000000, -0.0003209100000000 ] - [ 0.0004586700000000, 0.0007721700000000, -0.0001432700000000 ] - [ -0.0004586700000000, 0.0007721700000000, -0.0001432700000000 ] - [ -0.0011145300000000, 0.0004674300000000, -0.0017660400000000 ] - [ 0.0011145300000000, 0.0004674300000000, -0.0017660400000000 ] - [ -0.0002311300000000, -0.0004711700000000, -0.0008172700000000 ] - [ 0.0002311300000000, -0.0004711700000000, -0.0008172700000000 ] - [ 0.0012993000000000, -0.0004571900000000, -0.0009580500000000 ] - [ 0.0013530200000000, -0.0007333200000000, -0.0061503800000000 ] - [ 0.0011440000000000, -0.0005783000000000, -0.0007796300000000 ] - [ 0.0010851200000000, -0.0006915900000000, -0.0010200500000000 ] - [ 0.0002423000000000, -0.0002499400000000, 0.0002954500000000 ] - [ -0.0512830500000000, 0.0293052300000000, 0.0640362800000000 ] - [ 0.0008378300000000, -0.0004278100000000, 0.0000729800000000 ] - [ 0.0012650800000000, 0.0002290100000000, 0.0002856100000000 ] - [ -0.0000512100000000, 0.0004495000000000, -0.0000145200000000 ] - [ -0.0039303500000000, 0.0030569600000000, 0.0002776000000000 ] - [ 0.0005305900000000, -0.0004749400000000, 0.0000397200000000 ] - [ -0.0036073900000000, -0.0025098300000000, -0.0000603200000000 ] - [ -0.0016060900000000, 0.0004528600000000, -0.0007774300000000 ] - [ -0.0000461700000000, -0.0004927500000000, -0.0014148300000000 ] - [ -0.0019197200000000, 0.0009766800000000, -0.0010503500000000 ] - [ -0.0002629600000000, 0.0012070100000000, -0.0016428200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0025344400000000, -0.0002629200000000 ] - [ 0.0000000000000000, -0.0000059000000000, -0.0000978600000000 ] - [ 0.0000000000000000, -0.0103755400000000, -0.0057843100000000 ] - [ 0.0000000000000000, 0.0000149500000000, -0.0000988600000000 ] - [ 0.0000000000000000, -0.0013599900000000, -0.0010858100000000 ] - [ 0.0000000000000000, -0.0002281700000000, -0.0001881600000000 ] - [ 0.0000000000000000, 0.0053992700000000, -0.0069565400000000 ] - [ 0.0000000000000000, -0.0001695800000000, -0.0002354400000000 ] - [ 0.0002316600000000, 0.0006584400000000, -0.0011356400000000 ] - [ -0.0000709100000000, 0.0001956300000000, -0.0003839500000000 ] - [ 0.0002610100000000, -0.0002533400000000, -0.0012387300000000 ] - [ -0.0001253100000000, 0.0000733000000000, -0.0006044700000000 ] - [ 0.0004104800000000, -0.0010166200000000, 0.0034092700000000 ] - [ 0.0004067900000000, -0.0000901200000000, 0.0005878800000000 ] - [ -0.0012965300000000, 0.0005410400000000, 0.0031348900000000 ] - [ 0.0001749600000000, 0.0002731300000000, 0.0008826600000000 ] - [ 0.0090680200000000, 0.0042060700000000, -0.0055888600000000 ] - [ -0.0006717900000000, 0.0001411700000000, 0.0002409600000000 ] - [ -0.0002475400000000, -0.0007065600000000, 0.0002963900000000 ] - [ -0.0002702400000000, -0.0004352300000000, 0.0000733100000000 ] - [ -0.0050097700000000, -0.0026282400000000, -0.0069477500000000 ] - [ 0.0005382700000000, -0.0002452900000000, -0.0002529800000000 ] - [ -0.0000045500000000, 0.0001743200000000, -0.0003102300000000 ] - [ 0.0002175900000000, -0.0000147900000000, 0.0000062600000000 ] - [ 0.0005092600000000, 0.0000757300000000, -0.0014798800000000 ] - [ -0.0005092600000000, 0.0000757300000000, -0.0014798800000000 ] - [ 0.0000416100000000, 0.0001187000000000, -0.0006498300000000 ] - [ -0.0000416100000000, 0.0001187000000000, -0.0006498300000000 ] - [ -0.0013177200000000, 0.0011808900000000, 0.0030273800000000 ] - [ 0.0013177200000000, 0.0011808900000000, 0.0030273800000000 ] - [ -0.0002297000000000, 0.0000298800000000, 0.0004948300000000 ] - [ 0.0002297000000000, 0.0000298800000000, 0.0004948300000000 ] - [ 0.0006717900000000, 0.0001411700000000, 0.0002409600000000 ] - [ -0.0090680200000000, 0.0042060700000000, -0.0055888600000000 ] - [ 0.0002702400000000, -0.0004352300000000, 0.0000733100000000 ] - [ 0.0002475400000000, -0.0007065600000000, 0.0002963900000000 ] - [ -0.0005382700000000, -0.0002452900000000, -0.0002529800000000 ] - [ 0.0050097700000000, -0.0026282400000000, -0.0069477500000000 ] - [ -0.0002175900000000, -0.0000147900000000, 0.0000062600000000 ] - [ 0.0000045500000000, 0.0001743200000000, -0.0003102300000000 ] - [ 0.0000709100000000, 0.0001956300000000, -0.0003839500000000 ] - [ -0.0002316600000000, 0.0006584400000000, -0.0011356400000000 ] - [ 0.0001253100000000, 0.0000733000000000, -0.0006044700000000 ] - [ -0.0002610100000000, -0.0002533400000000, -0.0012387300000000 ] - [ -0.0004067900000000, -0.0000901200000000, 0.0005878800000000 ] - [ -0.0004104800000000, -0.0010166200000000, 0.0034092700000000 ] - [ -0.0001749600000000, 0.0002731300000000, 0.0008826600000000 ] - [ 0.0012965300000000, 0.0005410400000000, 0.0031348900000000 ] - [ 0.0000000000000000, -0.0039271200000000, 0.4647950900000000 ] - [ 0.0000000000000000, 0.0020066300000000, 0.0029578700000000 ] - [ 0.0000000000000000, 0.0014661200000000, 0.0034474300000000 ] - [ 0.0000000000000000, 0.0012280000000000, 0.0019833800000000 ] - [ 0.0000000000000000, 0.0012604200000000, -0.0126843600000000 ] - [ 0.0000000000000000, 0.0012490000000000, -0.0002799300000000 ] - [ 0.0000000000000000, 0.0015212200000000, -0.0005924200000000 ] - [ 0.0000000000000000, 0.0012332700000000, 0.0002023500000000 ] - [ 0.0023348600000000, -0.0001085200000000, 0.0002702500000000 ] - [ -0.0023348600000000, -0.0001085200000000, 0.0002702500000000 ] - [ 0.0039463900000000, -0.0041836400000000, -0.0009299400000000 ] - [ -0.0039463900000000, -0.0041836400000000, -0.0009299400000000 ] - [ -0.0012719000000000, -0.0022028400000000, 0.0002624000000000 ] - [ 0.0012719000000000, -0.0022028400000000, 0.0002624000000000 ] - [ -0.0021164200000000, 0.0000483900000000, -0.0009353900000000 ] - [ 0.0021164200000000, 0.0000483900000000, -0.0009353900000000 ] - [ 0.0000000000000000, -0.0006406500000000, 0.0004714200000000 ] - [ 0.0000000000000000, -0.0000424000000000, -0.0000473400000000 ] - [ 0.0000000000000000, -0.0003654000000000, 0.0052217300000000 ] - [ 0.0000000000000000, -0.0001170500000000, 0.0002013400000000 ] - [ 0.0000000000000000, 0.0012680100000000, -0.0015578100000000 ] - [ 0.0000000000000000, 0.0001657200000000, -0.0007422500000000 ] - [ 0.0000000000000000, 0.0593725400000000, -0.0645943000000000 ] - [ 0.0000000000000000, -0.0001939100000000, -0.0009768100000000 ] - [ 0.0000000000000000, 0.0037659000000000, -0.2577766100000000 ] - [ 0.0000000000000000, -0.0000096000000000, -0.0011595900000000 ] - [ 0.0000000000000000, 0.0002340500000000, -0.0017116500000000 ] - [ 0.0000000000000000, 0.0003374900000000, -0.0005674000000000 ] - [ 0.0000000000000000, 0.0001545300000000, 0.0108675700000000 ] - [ 0.0000000000000000, 0.0003111900000000, 0.0009459000000000 ] - [ 0.0000000000000000, 0.0001833800000000, 0.0013138400000000 ] - [ 0.0000000000000000, 0.0002445500000000, 0.0006031600000000 ] - [ -0.0019336500000000, -0.0021297200000000, -0.0009972000000000 ] - [ 0.0019516500000000, 0.0004847600000000, -0.0007009800000000 ] - [ -0.0016138200000000, 0.0034480700000000, -0.0006584000000000 ] - [ 0.0025372800000000, 0.0014079100000000, -0.0007552300000000 ] - [ 0.0019452800000000, 0.0014133600000000, 0.0007066900000000 ] - [ 0.0003990000000000, 0.0004781200000000, 0.0000658600000000 ] - [ 0.0017276200000000, -0.0002707100000000, 0.0009334500000000 ] - [ 0.0000817000000000, -0.0000470600000000, 0.0003411500000000 ] - [ -0.0006570000000000, -0.0002022700000000, 0.0054143200000000 ] - [ -0.0006995700000000, -0.0004704300000000, 0.0002457100000000 ] - [ -0.0009125600000000, -0.0002340600000000, 0.0003090600000000 ] - [ -0.0008546500000000, -0.0003495700000000, 0.0000682600000000 ] - [ -0.0525054900000000, -0.0297931000000000, -0.0651470800000000 ] - [ -0.0017614900000000, -0.0006778100000000, -0.0010079500000000 ] - [ -0.0007303100000000, -0.0011622200000000, -0.0009963600000000 ] - [ -0.0011639100000000, -0.0005006700000000, -0.0007871400000000 ] - [ -0.0004777900000000, -0.0006006600000000, 0.0008215700000000 ] - [ 0.0004777900000000, -0.0006006600000000, 0.0008215700000000 ] - [ -0.0006629900000000, 0.0002526200000000, 0.0014773000000000 ] - [ 0.0006629900000000, 0.0002526200000000, 0.0014773000000000 ] - [ 0.0007343500000000, 0.0006354300000000, 0.0002978700000000 ] - [ -0.0007343500000000, 0.0006354300000000, 0.0002978700000000 ] - [ 0.0018985400000000, -0.0014334500000000, 0.0003121200000000 ] - [ -0.0018985400000000, -0.0014334500000000, 0.0003121200000000 ] - [ -0.0042209200000000, 0.0014099100000000, -0.0004404200000000 ] - [ 0.0042209200000000, 0.0014099100000000, -0.0004404200000000 ] - [ -0.0004581300000000, -0.0007710000000000, -0.0006150100000000 ] - [ 0.0004581300000000, -0.0007710000000000, -0.0006150100000000 ] - [ 0.0011025600000000, -0.0004523100000000, 0.0010148400000000 ] - [ -0.0011025600000000, -0.0004523100000000, 0.0010148400000000 ] - [ 0.0002294000000000, 0.0004756500000000, 0.0000634200000000 ] - [ -0.0002294000000000, 0.0004756500000000, 0.0000634200000000 ] - [ 0.0006995700000000, -0.0004704300000000, 0.0002457100000000 ] - [ 0.0006570000000000, -0.0002022700000000, 0.0054143200000000 ] - [ 0.0008546500000000, -0.0003495700000000, 0.0000682600000000 ] - [ 0.0009125600000000, -0.0002340600000000, 0.0003090600000000 ] - [ 0.0017614900000000, -0.0006778100000000, -0.0010079500000000 ] - [ 0.0525054900000000, -0.0297931000000000, -0.0651470800000000 ] - [ 0.0011639100000000, -0.0005006700000000, -0.0007871400000000 ] - [ 0.0007303100000000, -0.0011622200000000, -0.0009963600000000 ] - [ -0.0019516500000000, 0.0004847600000000, -0.0007009800000000 ] - [ 0.0019336500000000, -0.0021297200000000, -0.0009972000000000 ] - [ -0.0025372800000000, 0.0014079100000000, -0.0007552300000000 ] - [ 0.0016138200000000, 0.0034480700000000, -0.0006584000000000 ] - [ -0.0003990000000000, 0.0004781200000000, 0.0000658600000000 ] - [ -0.0019452800000000, 0.0014133600000000, 0.0007066900000000 ] - [ -0.0000817000000000, -0.0000470600000000, 0.0003411500000000 ] - [ -0.0017276200000000, -0.0002707100000000, 0.0009334500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0036627600000000, -0.0000953100000000, -0.0001565000000000 ] - [ -0.0009528700000000, -0.0000912100000000, -0.0001330200000000 ] - [ 0.0005848100000000, -0.0000933400000000, -0.0001319000000000 ] - [ -0.0003568400000000, -0.0000938800000000, -0.0001320200000000 ] - [ 0.0018179600000000, -0.0000959700000000, -0.0001364600000000 ] - [ -0.0006085700000000, -0.0000893800000000, -0.0001328300000000 ] - [ 0.0003733800000000, -0.0000863900000000, -0.0001339300000000 ] - [ -0.0002770300000000, -0.0000892700000000, -0.0001333800000000 ] - [ 0.0116322900000000, -0.0061808400000000, -0.0024695900000000 ] - [ -0.0008501100000000, -0.0000737200000000, -0.0001425700000000 ] - [ 0.0004169700000000, -0.0009140300000000, 0.0004168000000000 ] - [ -0.0003710800000000, 0.0002735800000000, 0.0000273400000000 ] - [ 0.0004780000000000, 0.0002549400000000, -0.0001343300000000 ] - [ -0.0004228600000000, 0.0000788200000000, 0.0002322700000000 ] - [ 0.0002195900000000, 0.0001567900000000, -0.0000210800000000 ] - [ -0.0001869000000000, 0.0001869800000000, 0.0001212900000000 ] - [ 0.0003456900000000, 0.0003750300000000, -0.0000925300000000 ] - [ -0.0003995700000000, -0.0004932500000000, 0.0000936300000000 ] - [ 0.0002312900000000, -0.0010650400000000, -0.0016184100000000 ] - [ -0.0005896100000000, 0.0000534200000000, 0.0001586500000000 ] - [ 0.0002644200000000, 0.0002046000000000, 0.0002424500000000 ] - [ -0.0002913800000000, -0.0003675900000000, 0.0000110300000000 ] - [ 0.0003094900000000, -0.0004184000000000, 0.0008233500000000 ] - [ -0.0003906300000000, -0.0000400800000000, -0.0000416700000000 ] - [ -0.0001191500000000, 0.0002740600000000, -0.0000688600000000 ] - [ -0.0001184500000000, -0.0000764200000000, -0.0001927000000000 ] - [ -0.0026088400000000, -0.0008638000000000, 0.0004533200000000 ] - [ -0.0025992800000000, 0.0010400300000000, -0.0007128900000000 ] - [ -0.0000223900000000, 0.0001747800000000, -0.0002194800000000 ] - [ -0.0000225300000000, 0.0000135600000000, -0.0000454400000000 ] - [ -0.0000163600000000, -0.0001618100000000, -0.0003505600000000 ] - [ -0.0000189300000000, 0.0003542500000000, 0.0000872800000000 ] - [ -0.0003735900000000, 0.0001515900000000, 0.0000415100000000 ] - [ 0.0003736100000000, -0.0007153300000000, 0.0002252500000000 ] - [ -0.0005638200000000, -0.0004003100000000, -0.0000228300000000 ] - [ 0.0002522000000000, 0.0007159900000000, 0.0017586300000000 ] - [ -0.0002642200000000, 0.0000245900000000, 0.0001247400000000 ] - [ 0.0002922900000000, -0.0005476100000000, -0.0001049100000000 ] - [ -0.0003637600000000, -0.0003081100000000, 0.0001766400000000 ] - [ 0.0003195900000000, 0.0000726800000000, -0.0006948500000000 ] - [ -0.0008781600000000, 0.0004183100000000, 0.0002799900000000 ] - [ 0.0112244900000000, 0.0060875500000000, 0.0024648300000000 ] - [ -0.0003949400000000, 0.0000709700000000, 0.0001079700000000 ] - [ 0.0003910900000000, 0.0012724300000000, -0.0002806400000000 ] - [ -0.0004495000000000, 0.0002624500000000, -0.0000984000000000 ] - [ 0.0004497900000000, 0.0000840900000000, 0.0002678600000000 ] - [ -0.0002109300000000, 0.0001562500000000, 0.0000141000000000 ] - [ 0.0001938600000000, 0.0001885300000000, 0.0001557800000000 ] - [ 0.0011426400000000, 0.0013176500000000, 0.0010233500000000 ] - [ -0.0009489600000000, 0.0013170600000000, 0.0010245700000000 ] - [ 0.0010358100000000, 0.0013105200000000, 0.0010223200000000 ] - [ -0.0011285000000000, 0.0013114800000000, 0.0010238000000000 ] - [ 0.0029239100000000, 0.0013257000000000, 0.0010243500000000 ] - [ -0.0013001900000000, 0.0013171800000000, 0.0010230000000000 ] - [ 0.0427266500000000, 0.0007631300000000, 0.0012110900000000 ] - [ -0.0019349700000000, 0.0013120800000000, 0.0010256800000000 ] - [ -0.0021828300000000, -0.0008820800000000, -0.0032053300000000 ] - [ -0.0021757500000000, -0.0017539900000000, 0.0052230600000000 ] - [ -0.0004592400000000, -0.0015256900000000, 0.0005643100000000 ] - [ -0.0004620200000000, -0.0011035000000000, 0.0014826800000000 ] - [ -0.0017265500000000, -0.0014373400000000, 0.0021348800000000 ] - [ -0.0017229600000000, -0.0012011900000000, -0.0000807100000000 ] - [ -0.0003465500000000, -0.0014210800000000, 0.0012529500000000 ] - [ -0.0003535400000000, -0.0012053100000000, 0.0007932800000000 ] - [ -0.0601006300000000, 0.0009018600000000, -0.0004300100000000 ] - [ 0.0010118900000000, -0.0000121600000000, -0.0003762800000000 ] - [ -0.0010295800000000, -0.0000149200000000, -0.0003766600000000 ] - [ 0.0004418200000000, -0.0000151400000000, -0.0003752000000000 ] - [ -0.0006255400000000, -0.0000105200000000, -0.0003749600000000 ] - [ 0.0005568500000000, -0.0000132000000000, -0.0003754600000000 ] - [ -0.0003647800000000, -0.0000137100000000, -0.0003769700000000 ] - [ 0.0003096100000000, -0.0000133200000000, -0.0003763600000000 ] - [ -0.0005290600000000, 0.0002427900000000, 0.0000670500000000 ] - [ 0.0004237000000000, 0.0002430500000000, 0.0000569100000000 ] - [ -0.0012207000000000, 0.0002460300000000, 0.0000576200000000 ] - [ 0.0006239600000000, 0.0002456600000000, 0.0000569700000000 ] - [ -0.0007306300000000, 0.0002407300000000, 0.0000624400000000 ] - [ 0.0004162600000000, 0.0002435300000000, 0.0000596700000000 ] - [ -0.0082156900000000, 0.0002163700000000, 0.0000934600000000 ] - [ 0.0006209100000000, 0.0002448700000000, 0.0000540300000000 ] - [ 0.0012204200000000, -0.0003587000000000, 0.0014184800000000 ] - [ 0.0023758200000000, 0.0010612500000000, -0.0013741000000000 ] - [ 0.0009894600000000, 0.0008597900000000, 0.0000632700000000 ] - [ 0.0013981900000000, 0.0004515300000000, -0.0005085800000000 ] - [ 0.0019042200000000, -0.0000776200000000, -0.0022994700000000 ] - [ 0.0018940500000000, 0.0006979600000000, -0.0002364000000000 ] - [ 0.0009956500000000, 0.0007805000000000, -0.0008011200000000 ] - [ 0.0012847100000000, 0.0003973500000000, -0.0002780500000000 ] - [ -0.0024395300000000, -0.0018580000000000, -0.0005434300000000 ] - [ -0.0001832200000000, -0.0001003900000000, -0.0001982400000000 ] - [ -0.0031902400000000, 0.0158641100000000, -0.0023239200000000 ] - [ 0.0002970800000000, -0.0003995800000000, -0.0001512100000000 ] - [ -0.0016304800000000, -0.0007819600000000, -0.0004294700000000 ] - [ -0.0004434900000000, -0.0002218800000000, -0.0003118000000000 ] - [ -0.0016849200000000, -0.0005658700000000, -0.0004381700000000 ] - [ -0.0003594100000000, -0.0004085600000000, -0.0002823800000000 ] - [ 0.0036268400000000, -0.0011895200000000, 0.0023213800000000 ] - [ 0.0035973900000000, 0.0006926000000000, -0.0021878400000000 ] - [ 0.0003339700000000, 0.0001518500000000, 0.0003221500000000 ] - [ 0.0003354300000000, -0.0006446300000000, -0.0001974200000000 ] - [ 0.0002865300000000, -0.0001751000000000, -0.0004393700000000 ] - [ 0.0002862500000000, -0.0003121100000000, 0.0005564000000000 ] - [ 0.0000786100000000, -0.0002225900000000, -0.0000723700000000 ] - [ 0.0000797300000000, -0.0002689900000000, 0.0001910400000000 ] - [ 0.0000856900000000, 0.0000109700000000, -0.0002168700000000 ] - [ 0.0000853400000000, 0.0000075300000000, -0.0005357500000000 ] - [ 0.0005863900000000, 0.0005025400000000, 0.0007564400000000 ] - [ 0.0005869200000000, -0.0004708100000000, -0.0015031500000000 ] - [ 0.0000851800000000, -0.0000502900000000, -0.0004427400000000 ] - [ 0.0000854900000000, 0.0000757900000000, -0.0003087500000000 ] - [ 0.0005857900000000, 0.0001853700000000, -0.0011948500000000 ] - [ 0.0005874100000000, -0.0001519600000000, 0.0004403300000000 ] - [ 0.0018042400000000, -0.0008268400000000, -0.0005119400000000 ] - [ -0.0004480600000000, 0.0009164000000000, -0.0001685900000000 ] - [ 0.0022780200000000, -0.0005199700000000, -0.0005577700000000 ] - [ -0.0011756300000000, -0.0166591400000000, 0.0016201200000000 ] - [ 0.0015406900000000, -0.0007042800000000, -0.0003987300000000 ] - [ 0.0003586800000000, -0.0001462000000000, -0.0002840300000000 ] - [ 0.0016285700000000, -0.0005141500000000, -0.0004289900000000 ] - [ 0.0003091700000000, -0.0003587500000000, -0.0002700400000000 ] - [ 0.0003909100000000, -0.0001372100000000, 0.0006694800000000 ] - [ -0.0007651000000000, 0.0012817200000000, -0.0021194900000000 ] - [ -0.0005948000000000, 0.0004761800000000, -0.0002039900000000 ] - [ -0.0009955600000000, 0.0000617100000000, -0.0007747100000000 ] - [ -0.0000967400000000, 0.0002299400000000, -0.0004782500000000 ] - [ -0.0000810900000000, 0.0009999200000000, 0.0015792200000000 ] - [ -0.0007027400000000, 0.0005258700000000, -0.0004334000000000 ] - [ -0.0009784100000000, 0.0001324400000000, 0.0000946000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0039600500000000, 0.0002641400000000 ] - [ 0.0000000000000000, 0.0001274600000000, -0.0001652800000000 ] - [ 0.0000000000000000, -0.0013766500000000, -0.0003922500000000 ] - [ 0.0000000000000000, -0.0002521500000000, -0.0001402600000000 ] - [ 0.0000000000000000, 0.0029895700000000, -0.0030962100000000 ] - [ 0.0000000000000000, 0.0000956800000000, -0.0001316500000000 ] - [ 0.0000000000000000, -0.0013409600000000, 0.0000521200000000 ] - [ 0.0000000000000000, -0.0002493100000000, -0.0000972500000000 ] - [ -0.0051461300000000, 0.0078222300000000, 0.0016166500000000 ] - [ -0.0004324300000000, 0.0002058600000000, -0.0000585000000000 ] - [ -0.0005091900000000, -0.0032315000000000, 0.0004772000000000 ] - [ 0.0004428700000000, -0.0000541800000000, 0.0000734800000000 ] - [ -0.0001215200000000, 0.0003884300000000, 0.0004115400000000 ] - [ -0.0001464900000000, 0.0001541200000000, 0.0002070100000000 ] - [ 0.0000291300000000, -0.0001484500000000, 0.0000806000000000 ] - [ 0.0001488900000000, 0.0001832900000000, 0.0000567300000000 ] - [ 0.0006858000000000, -0.0013966200000000, 0.0010056400000000 ] - [ -0.0001449600000000, -0.0005566300000000, 0.0001172100000000 ] - [ -0.0010272900000000, 0.0004158000000000, -0.0026844300000000 ] - [ 0.0001990300000000, 0.0001457100000000, -0.0001581300000000 ] - [ 0.0004473800000000, -0.0007850800000000, -0.0005748100000000 ] - [ -0.0000862700000000, -0.0004276100000000, 0.0000198400000000 ] - [ -0.0018426200000000, -0.0002735900000000, 0.0018345700000000 ] - [ 0.0001830800000000, 0.0000196100000000, 0.0002287400000000 ] - [ 0.0006128200000000, -0.0007218700000000, -0.0002160400000000 ] - [ -0.0006128200000000, -0.0007218700000000, -0.0002160400000000 ] - [ -0.0020142600000000, 0.0023872000000000, 0.0000607100000000 ] - [ 0.0020142600000000, 0.0023872000000000, 0.0000607100000000 ] - [ 0.0001035700000000, -0.0002632800000000, -0.0001068300000000 ] - [ -0.0001035700000000, -0.0002632800000000, -0.0001068300000000 ] - [ -0.0002455800000000, 0.0005151200000000, 0.0000147800000000 ] - [ 0.0002455800000000, 0.0005151200000000, 0.0000147800000000 ] - [ 0.0001449600000000, -0.0005566300000000, 0.0001172100000000 ] - [ -0.0006858000000000, -0.0013966200000000, 0.0010056400000000 ] - [ -0.0001990300000000, 0.0001457100000000, -0.0001581300000000 ] - [ 0.0010272900000000, 0.0004158000000000, -0.0026844300000000 ] - [ 0.0000862700000000, -0.0004276100000000, 0.0000198400000000 ] - [ -0.0004473800000000, -0.0007850800000000, -0.0005748100000000 ] - [ -0.0001830800000000, 0.0000196100000000, 0.0002287400000000 ] - [ 0.0018426200000000, -0.0002735900000000, 0.0018345700000000 ] - [ 0.0004324300000000, 0.0002058600000000, -0.0000585000000000 ] - [ 0.0051461300000000, 0.0078222300000000, 0.0016166500000000 ] - [ -0.0004428700000000, -0.0000541800000000, 0.0000734800000000 ] - [ 0.0005091900000000, -0.0032315000000000, 0.0004772000000000 ] - [ 0.0001464900000000, 0.0001541200000000, 0.0002070100000000 ] - [ 0.0001215200000000, 0.0003884300000000, 0.0004115400000000 ] - [ -0.0001488900000000, 0.0001832900000000, 0.0000567300000000 ] - [ -0.0000291300000000, -0.0001484500000000, 0.0000806000000000 ] - [ 0.0000000000000000, 0.0001357800000000, 0.0016529500000000 ] - [ 0.0000000000000000, 0.0007722800000000, 0.0010595400000000 ] - [ 0.0000000000000000, 0.0029899100000000, 0.0013974000000000 ] - [ 0.0000000000000000, 0.0019197200000000, 0.0011346000000000 ] - [ 0.0000000000000000, -0.0062204600000000, -0.0002459200000000 ] - [ 0.0000000000000000, 0.0004806800000000, 0.0008500500000000 ] - [ 0.0000000000000000, 0.2288932500000000, -0.0611955900000000 ] - [ 0.0000000000000000, 0.0026125000000000, 0.0012105400000000 ] - [ 0.0028696500000000, 0.0016780100000000, 0.0024351200000000 ] - [ -0.0028696500000000, 0.0016780100000000, 0.0024351200000000 ] - [ -0.0010198000000000, -0.0029765700000000, 0.0002404500000000 ] - [ 0.0010198000000000, -0.0029765700000000, 0.0002404500000000 ] - [ 0.0021203700000000, 0.0020977800000000, 0.0005579100000000 ] - [ -0.0021203700000000, 0.0020977800000000, 0.0005579100000000 ] - [ -0.0013799700000000, -0.0030654800000000, 0.0014934800000000 ] - [ 0.0013799700000000, -0.0030654800000000, 0.0014934800000000 ] - [ 0.0000000000000000, -0.2815709500000000, 0.0761061400000000 ] - [ 0.0000000000000000, -0.0007890000000000, -0.0001944800000000 ] - [ 0.0000000000000000, 0.0047039100000000, -0.0007844200000000 ] - [ 0.0000000000000000, 0.0005349200000000, -0.0004357500000000 ] - [ 0.0000000000000000, -0.0015539400000000, -0.0005639400000000 ] - [ 0.0000000000000000, -0.0003997200000000, -0.0003884000000000 ] - [ 0.0000000000000000, 0.0010333000000000, -0.0006473100000000 ] - [ 0.0000000000000000, 0.0003376900000000, -0.0004519800000000 ] - [ 0.0000000000000000, 0.0011030800000000, -0.0006605300000000 ] - [ 0.0000000000000000, 0.0005176100000000, 0.0000247000000000 ] - [ 0.0000000000000000, -0.0013049100000000, 0.0010518500000000 ] - [ 0.0000000000000000, -0.0000486500000000, 0.0000384200000000 ] - [ 0.0000000000000000, 0.0020857200000000, 0.0010992400000000 ] - [ 0.0000000000000000, 0.0005213600000000, 0.0001793000000000 ] - [ 0.0000000000000000, 0.0011465500000000, -0.0141642000000000 ] - [ 0.0000000000000000, -0.0000941100000000, -0.0000696500000000 ] - [ -0.0017067300000000, -0.0001673100000000, -0.0022828600000000 ] - [ 0.0019613700000000, 0.0003783100000000, -0.0007420400000000 ] - [ 0.0017264200000000, 0.0015797400000000, 0.0003056200000000 ] - [ 0.0006163200000000, 0.0006028600000000, -0.0001578700000000 ] - [ -0.0015672400000000, -0.0008210000000000, 0.0021727100000000 ] - [ 0.0016445700000000, 0.0000119500000000, -0.0002476700000000 ] - [ 0.0021414300000000, 0.0021405300000000, -0.0013674700000000 ] - [ 0.0005509600000000, 0.0007693400000000, -0.0005218400000000 ] - [ -0.0013528700000000, 0.0041662200000000, 0.0000433700000000 ] - [ -0.0007518400000000, -0.0000556200000000, -0.0002730800000000 ] - [ 0.0114020300000000, 0.0145995500000000, -0.0008540800000000 ] - [ -0.0015177600000000, -0.0009490300000000, -0.0003693000000000 ] - [ -0.0009891400000000, -0.0000368500000000, -0.0003831300000000 ] - [ -0.0009114200000000, -0.0001988900000000, -0.0003664200000000 ] - [ -0.0007982500000000, -0.0008087100000000, -0.0009866300000000 ] - [ -0.0011163400000000, -0.0007183600000000, -0.0004477300000000 ] - [ -0.0022684300000000, -0.0018415600000000, -0.0007611200000000 ] - [ 0.0022684300000000, -0.0018415600000000, -0.0007611200000000 ] - [ 0.0005409400000000, 0.0010606700000000, 0.0005814600000000 ] - [ -0.0005409400000000, 0.0010606700000000, 0.0005814600000000 ] - [ -0.0004215200000000, -0.0010283200000000, 0.0004083500000000 ] - [ 0.0004215200000000, -0.0010283200000000, 0.0004083500000000 ] - [ 0.0002974600000000, 0.0001762000000000, -0.0002701300000000 ] - [ -0.0002974600000000, 0.0001762000000000, -0.0002701300000000 ] - [ -0.0000608700000000, 0.0012397100000000, -0.0002252800000000 ] - [ 0.0000608700000000, 0.0012397100000000, -0.0002252800000000 ] - [ 0.0001679600000000, -0.0021693400000000, -0.0004111300000000 ] - [ -0.0001679600000000, -0.0021693400000000, -0.0004111300000000 ] - [ 0.0000071600000000, 0.0012440200000000, -0.0001250700000000 ] - [ -0.0000071600000000, 0.0012440200000000, -0.0001250700000000 ] - [ 0.0004827800000000, -0.0021665100000000, -0.0009994900000000 ] - [ -0.0004827800000000, -0.0021665100000000, -0.0009994900000000 ] - [ 0.0007518400000000, -0.0000556200000000, -0.0002730800000000 ] - [ 0.0013528700000000, 0.0041662200000000, 0.0000433700000000 ] - [ 0.0015177600000000, -0.0009490300000000, -0.0003693000000000 ] - [ -0.0114020300000000, 0.0145995500000000, -0.0008540800000000 ] - [ 0.0009114200000000, -0.0001988900000000, -0.0003664200000000 ] - [ 0.0009891400000000, -0.0000368500000000, -0.0003831300000000 ] - [ 0.0011163400000000, -0.0007183600000000, -0.0004477300000000 ] - [ 0.0007982500000000, -0.0008087100000000, -0.0009866300000000 ] - [ -0.0019613700000000, 0.0003783100000000, -0.0007420400000000 ] - [ 0.0017067300000000, -0.0001673100000000, -0.0022828600000000 ] - [ -0.0006163200000000, 0.0006028600000000, -0.0001578700000000 ] - [ -0.0017264200000000, 0.0015797400000000, 0.0003056200000000 ] - [ -0.0016445700000000, 0.0000119500000000, -0.0002476700000000 ] - [ 0.0015672400000000, -0.0008210000000000, 0.0021727100000000 ] - [ -0.0005509600000000, 0.0007693400000000, -0.0005218400000000 ] - [ -0.0021414300000000, 0.0021405300000000, -0.0013674700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0041566800000000, -0.0005258500000000 ] - [ 0.0000000000000000, -0.0003191200000000, -0.0000971300000000 ] - [ 0.0000000000000000, 0.0011863000000000, 0.0001222500000000 ] - [ 0.0000000000000000, 0.0000639100000000, -0.0001249700000000 ] - [ 0.0000000000000000, -0.0031935500000000, 0.0027974600000000 ] - [ 0.0000000000000000, -0.0002846800000000, -0.0001325100000000 ] - [ 0.0000000000000000, 0.0011565300000000, -0.0003148400000000 ] - [ 0.0000000000000000, 0.0000631600000000, -0.0001683000000000 ] - [ 0.0055760900000000, -0.0077419100000000, -0.0015909400000000 ] - [ 0.0004533900000000, 0.0001356300000000, 0.0001927700000000 ] - [ 0.0005329700000000, 0.0035651200000000, -0.0003382900000000 ] - [ -0.0004163800000000, 0.0003957900000000, 0.0000615900000000 ] - [ 0.0001435600000000, -0.0000476300000000, -0.0002760000000000 ] - [ 0.0001687800000000, 0.0001878200000000, -0.0000723900000000 ] - [ -0.0000045600000000, 0.0004926100000000, 0.0000540200000000 ] - [ -0.0001251600000000, 0.0001610100000000, 0.0000771300000000 ] - [ -0.0007133800000000, 0.0010500300000000, -0.0008764800000000 ] - [ 0.0001225400000000, 0.0002065100000000, 0.0000172000000000 ] - [ 0.0010088500000000, -0.0007391400000000, 0.0028097800000000 ] - [ -0.0002217100000000, -0.0004854600000000, 0.0002905200000000 ] - [ -0.0004737900000000, 0.0004368100000000, 0.0007121100000000 ] - [ 0.0000624500000000, 0.0000807200000000, 0.0001145400000000 ] - [ 0.0018220700000000, -0.0000688200000000, -0.0016964800000000 ] - [ -0.0002058300000000, -0.0003639200000000, -0.0000925400000000 ] - [ -0.0006158500000000, 0.0009166900000000, -0.0000454000000000 ] - [ 0.0006158500000000, 0.0009166900000000, -0.0000454000000000 ] - [ 0.0020204300000000, -0.0021650600000000, -0.0003217200000000 ] - [ -0.0020204300000000, -0.0021650600000000, -0.0003217200000000 ] - [ -0.0001041900000000, 0.0004574000000000, -0.0001561200000000 ] - [ 0.0001041900000000, 0.0004574000000000, -0.0001561200000000 ] - [ 0.0002466500000000, -0.0003160800000000, -0.0002764100000000 ] - [ -0.0002466500000000, -0.0003160800000000, -0.0002764100000000 ] - [ -0.0001225400000000, 0.0002065100000000, 0.0000172000000000 ] - [ 0.0007133800000000, 0.0010500300000000, -0.0008764800000000 ] - [ 0.0002217100000000, -0.0004854600000000, 0.0002905200000000 ] - [ -0.0010088500000000, -0.0007391400000000, 0.0028097800000000 ] - [ -0.0000624500000000, 0.0000807200000000, 0.0001145400000000 ] - [ 0.0004737900000000, 0.0004368100000000, 0.0007121100000000 ] - [ 0.0002058300000000, -0.0003639200000000, -0.0000925400000000 ] - [ -0.0018220700000000, -0.0000688200000000, -0.0016964800000000 ] - [ -0.0004533900000000, 0.0001356300000000, 0.0001927700000000 ] - [ -0.0055760900000000, -0.0077419100000000, -0.0015909400000000 ] - [ 0.0004163800000000, 0.0003957900000000, 0.0000615900000000 ] - [ -0.0005329700000000, 0.0035651200000000, -0.0003382900000000 ] - [ -0.0001687800000000, 0.0001878200000000, -0.0000723900000000 ] - [ -0.0001435600000000, -0.0000476300000000, -0.0002760000000000 ] - [ 0.0001251600000000, 0.0001610100000000, 0.0000771300000000 ] - [ 0.0000045600000000, 0.0004926100000000, 0.0000540200000000 ] - [ 0.0000000000000000, 0.0024888100000000, 0.0003909900000000 ] - [ 0.0000000000000000, 0.0018532600000000, 0.0009867900000000 ] - [ 0.0000000000000000, -0.0003579500000000, 0.0006659900000000 ] - [ 0.0000000000000000, 0.0007100900000000, 0.0009100700000000 ] - [ 0.0000000000000000, 0.0088659900000000, 0.0022905200000000 ] - [ 0.0000000000000000, 0.0021429600000000, 0.0011942700000000 ] - [ 0.0000000000000000, -0.2138195100000000, 0.0584526200000000 ] - [ 0.0000000000000000, 0.0000258600000000, 0.0008368800000000 ] - [ -0.0028557700000000, -0.0043107000000000, -0.0003693300000000 ] - [ 0.0028557700000000, -0.0043107000000000, -0.0003693300000000 ] - [ 0.0010130700000000, 0.0003374100000000, 0.0017955800000000 ] - [ -0.0010130700000000, 0.0003374100000000, 0.0017955800000000 ] - [ -0.0021076800000000, -0.0047235400000000, 0.0014799600000000 ] - [ 0.0021076800000000, -0.0047235400000000, 0.0014799600000000 ] - [ 0.0013725800000000, 0.0004270300000000, 0.0005542600000000 ] - [ -0.0013725800000000, 0.0004270300000000, 0.0005542600000000 ] - [ 0.0000000000000000, 0.2689393900000000, -0.0715725900000000 ] - [ 0.0000000000000000, 0.0007828200000000, -0.0005658200000000 ] - [ 0.0000000000000000, -0.0046929400000000, 0.0000209900000000 ] - [ 0.0000000000000000, -0.0005350400000000, -0.0003247100000000 ] - [ 0.0000000000000000, 0.0015567100000000, -0.0002020300000000 ] - [ 0.0000000000000000, 0.0003859300000000, -0.0003691400000000 ] - [ 0.0000000000000000, -0.0010419300000000, -0.0001115600000000 ] - [ 0.0000000000000000, -0.0003349900000000, -0.0003099800000000 ] - [ 0.0000000000000000, -0.0006072900000000, 0.0008019800000000 ] - [ 0.0000000000000000, -0.0000220800000000, 0.0001163600000000 ] - [ 0.0000000000000000, 0.0017863300000000, -0.0009246000000000 ] - [ 0.0000000000000000, 0.0005418500000000, 0.0000971500000000 ] - [ 0.0000000000000000, -0.0015946200000000, -0.0009603000000000 ] - [ 0.0000000000000000, -0.0000251300000000, -0.0000404900000000 ] - [ 0.0000000000000000, -0.0006902200000000, 0.0140704400000000 ] - [ 0.0000000000000000, 0.0005858200000000, 0.0002117400000000 ] - [ 0.0037106100000000, 0.0011122500000000, 0.0015611700000000 ] - [ 0.0000479100000000, 0.0005542100000000, 0.0000179100000000 ] - [ 0.0002769800000000, -0.0006485900000000, -0.0010158000000000 ] - [ 0.0013829800000000, 0.0003273000000000, -0.0005569500000000 ] - [ 0.0035554800000000, 0.0017587300000000, -0.0028766500000000 ] - [ 0.0003602700000000, 0.0009176500000000, -0.0004678700000000 ] - [ -0.0001449500000000, -0.0012135600000000, 0.0006469800000000 ] - [ 0.0014470500000000, 0.0001611200000000, -0.0001956800000000 ] - [ -0.0006393000000000, -0.0051068000000000, -0.0007590400000000 ] - [ -0.0012502800000000, -0.0008712200000000, -0.0004418700000000 ] - [ -0.0130852700000000, -0.0151919400000000, 0.0001361700000000 ] - [ -0.0004854100000000, 0.0000158500000000, -0.0003470900000000 ] - [ -0.0010062200000000, -0.0008870000000000, -0.0003313700000000 ] - [ -0.0010887500000000, -0.0007293800000000, -0.0003491000000000 ] - [ -0.0012147900000000, -0.0001287800000000, 0.0002618500000000 ] - [ -0.0008826800000000, -0.0002111500000000, -0.0002681100000000 ] - [ 0.0022472300000000, 0.0013545900000000, 0.0008998100000000 ] - [ -0.0022472300000000, 0.0013545900000000, 0.0008998100000000 ] - [ -0.0005349600000000, -0.0015488100000000, -0.0004364500000000 ] - [ 0.0005349600000000, -0.0015488100000000, -0.0004364500000000 ] - [ 0.0004197300000000, 0.0005319600000000, -0.0002676300000000 ] - [ -0.0004197300000000, 0.0005319600000000, -0.0002676300000000 ] - [ -0.0002952700000000, -0.0006696100000000, 0.0004128900000000 ] - [ 0.0002952700000000, -0.0006696100000000, 0.0004128900000000 ] - [ 0.0000632500000000, -0.0012359800000000, -0.0005335600000000 ] - [ -0.0000632500000000, -0.0012359800000000, -0.0005335600000000 ] - [ -0.0001727900000000, 0.0021613100000000, -0.0003537400000000 ] - [ 0.0001727900000000, 0.0021613100000000, -0.0003537400000000 ] - [ -0.0000039600000000, -0.0012382800000000, -0.0006364700000000 ] - [ 0.0000039600000000, -0.0012382800000000, -0.0006364700000000 ] - [ -0.0004863800000000, 0.0021678000000000, 0.0002424400000000 ] - [ 0.0004863800000000, 0.0021678000000000, 0.0002424400000000 ] - [ 0.0012502800000000, -0.0008712200000000, -0.0004418700000000 ] - [ 0.0006393000000000, -0.0051068000000000, -0.0007590400000000 ] - [ 0.0004854100000000, 0.0000158500000000, -0.0003470900000000 ] - [ 0.0130852700000000, -0.0151919400000000, 0.0001361700000000 ] - [ 0.0010887500000000, -0.0007293800000000, -0.0003491000000000 ] - [ 0.0010062200000000, -0.0008870000000000, -0.0003313700000000 ] - [ 0.0008826800000000, -0.0002111500000000, -0.0002681100000000 ] - [ 0.0012147900000000, -0.0001287800000000, 0.0002618500000000 ] - [ -0.0000479100000000, 0.0005542100000000, 0.0000179100000000 ] - [ -0.0037106100000000, 0.0011122500000000, 0.0015611700000000 ] - [ -0.0013829800000000, 0.0003273000000000, -0.0005569500000000 ] - [ -0.0002769800000000, -0.0006485900000000, -0.0010158000000000 ] - [ -0.0003602700000000, 0.0009176500000000, -0.0004678700000000 ] - [ -0.0035554800000000, 0.0017587300000000, -0.0028766500000000 ] - [ -0.0014470500000000, 0.0001611200000000, -0.0001956800000000 ] - [ 0.0001449500000000, -0.0012135600000000, 0.0006469800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0012831100000000, 0.0117404100000000 ] - [ 0.0000000000000000, -0.0002106400000000, -0.0001029300000000 ] - [ 0.0000000000000000, -0.0000692200000000, -0.0000410200000000 ] - [ 0.0000000000000000, -0.0000981400000000, -0.0001186400000000 ] - [ 0.0000000000000000, -0.0019457700000000, -0.0051167300000000 ] - [ 0.0000000000000000, -0.0000274000000000, -0.0001727700000000 ] - [ 0.0000000000000000, 0.0005274500000000, -0.0003093500000000 ] - [ 0.0000000000000000, -0.0000525400000000, -0.0001541200000000 ] - [ -0.0024829100000000, 0.0020907700000000, 0.0042573700000000 ] - [ 0.0000987700000000, 0.0002370300000000, 0.0005398000000000 ] - [ 0.0003105500000000, 0.0005320600000000, 0.0004327700000000 ] - [ -0.0000152300000000, 0.0001667900000000, 0.0002074700000000 ] - [ -0.0000842800000000, 0.0002007500000000, -0.0009883600000000 ] - [ 0.0000204200000000, 0.0001486000000000, -0.0003678300000000 ] - [ -0.0000136500000000, 0.0001683700000000, -0.0002283700000000 ] - [ -0.0000216900000000, 0.0001496000000000, -0.0000606600000000 ] - [ -0.0002035200000000, 0.0006693800000000, 0.0000012300000000 ] - [ 0.0001266600000000, 0.0000890600000000, 0.0000946600000000 ] - [ -0.0009590500000000, -0.0019765800000000, -0.0003419600000000 ] - [ 0.0001576800000000, -0.0003756700000000, 0.0001106500000000 ] - [ -0.0000019600000000, -0.0005986000000000, -0.0000701200000000 ] - [ -0.0001471900000000, -0.0003086100000000, 0.0000317400000000 ] - [ 0.0020056500000000, 0.0006790300000000, -0.0009161800000000 ] - [ -0.0002441200000000, -0.0000782400000000, 0.0000179300000000 ] - [ -0.0000170700000000, 0.0001560100000000, 0.0001027400000000 ] - [ 0.0000170700000000, 0.0001560100000000, 0.0001027400000000 ] - [ 0.0003086200000000, -0.0000031000000000, 0.0008243700000000 ] - [ -0.0003086200000000, -0.0000031000000000, 0.0008243700000000 ] - [ -0.0000242400000000, 0.0002016500000000, -0.0003502800000000 ] - [ 0.0000242400000000, 0.0002016500000000, -0.0003502800000000 ] - [ -0.0000231700000000, 0.0000524700000000, -0.0007187800000000 ] - [ 0.0000231700000000, 0.0000524700000000, -0.0007187800000000 ] - [ -0.0001266600000000, 0.0000890600000000, 0.0000946600000000 ] - [ 0.0002035200000000, 0.0006693800000000, 0.0000012300000000 ] - [ -0.0001576800000000, -0.0003756700000000, 0.0001106500000000 ] - [ 0.0009590500000000, -0.0019765800000000, -0.0003419600000000 ] - [ 0.0001471900000000, -0.0003086100000000, 0.0000317400000000 ] - [ 0.0000019600000000, -0.0005986000000000, -0.0000701200000000 ] - [ 0.0002441200000000, -0.0000782400000000, 0.0000179300000000 ] - [ -0.0020056500000000, 0.0006790300000000, -0.0009161800000000 ] - [ -0.0000987700000000, 0.0002370300000000, 0.0005398000000000 ] - [ 0.0024829100000000, 0.0020907700000000, 0.0042573700000000 ] - [ 0.0000152300000000, 0.0001667900000000, 0.0002074700000000 ] - [ -0.0003105500000000, 0.0005320600000000, 0.0004327700000000 ] - [ -0.0000204200000000, 0.0001486000000000, -0.0003678300000000 ] - [ 0.0000842800000000, 0.0002007500000000, -0.0009883600000000 ] - [ 0.0000216900000000, 0.0001496000000000, -0.0000606600000000 ] - [ 0.0000136500000000, 0.0001683700000000, -0.0002283700000000 ] - [ 0.0000000000000000, 0.0015698100000000, 0.0001741300000000 ] - [ 0.0000000000000000, 0.0013983800000000, 0.0006928400000000 ] - [ 0.0000000000000000, 0.0011732000000000, -0.0045925300000000 ] - [ 0.0000000000000000, 0.0012308600000000, 0.0004448500000000 ] - [ 0.0000000000000000, 0.0019812700000000, 0.0022028800000000 ] - [ 0.0000000000000000, 0.0014484500000000, 0.0013870500000000 ] - [ 0.0000000000000000, -0.0582643800000000, 0.0652377700000000 ] - [ 0.0000000000000000, 0.0011139000000000, 0.0016211600000000 ] - [ -0.0037587300000000, -0.0020826100000000, 0.0010917100000000 ] - [ 0.0037587300000000, -0.0020826100000000, 0.0010917100000000 ] - [ -0.0000439300000000, -0.0011701300000000, 0.0012669600000000 ] - [ 0.0000439300000000, -0.0011701300000000, 0.0012669600000000 ] - [ 0.0024471400000000, -0.0009655500000000, -0.0003687200000000 ] - [ -0.0024471400000000, -0.0009655500000000, -0.0003687200000000 ] - [ 0.0006837800000000, -0.0009542300000000, 0.0005811400000000 ] - [ -0.0006837800000000, -0.0009542300000000, 0.0005811400000000 ] - [ 0.0000000000000000, 0.0734637400000000, -0.0779186500000000 ] - [ 0.0000000000000000, 0.0001775400000000, -0.0007385400000000 ] - [ 0.0000000000000000, -0.0004126800000000, -0.0006439500000000 ] - [ 0.0000000000000000, -0.0000624800000000, -0.0004892900000000 ] - [ 0.0000000000000000, -0.0001859800000000, 0.0018550300000000 ] - [ 0.0000000000000000, -0.0000157100000000, -0.0000686000000000 ] - [ 0.0000000000000000, -0.0002765000000000, -0.0000346500000000 ] - [ 0.0000000000000000, -0.0000826600000000, -0.0002512600000000 ] - [ 0.0000000000000000, -0.0001643500000000, 0.0006446900000000 ] - [ 0.0000000000000000, 0.0001382100000000, 0.0002874400000000 ] - [ 0.0000000000000000, 0.0019840400000000, 0.0049523200000000 ] - [ 0.0000000000000000, 0.0003800100000000, 0.0004155800000000 ] - [ 0.0000000000000000, 0.0004291800000000, -0.0005762400000000 ] - [ 0.0000000000000000, 0.0002587800000000, -0.0001653300000000 ] - [ 0.0000000000000000, -0.0194698700000000, 0.0113046900000000 ] - [ 0.0000000000000000, 0.0002148200000000, -0.0002868900000000 ] - [ 0.0039826200000000, -0.0002126000000000, 0.0010098800000000 ] - [ -0.0000812300000000, 0.0002932200000000, -0.0001834700000000 ] - [ 0.0010396400000000, 0.0005434100000000, -0.0004324300000000 ] - [ 0.0009469900000000, 0.0004850000000000, -0.0003595400000000 ] - [ -0.0016032400000000, 0.0012166200000000, 0.0010574700000000 ] - [ 0.0019069300000000, 0.0006645400000000, -0.0004633800000000 ] - [ 0.0002547000000000, -0.0002247500000000, -0.0002329100000000 ] - [ 0.0012944500000000, 0.0004347000000000, -0.0003626700000000 ] - [ -0.0010077500000000, -0.0010687400000000, -0.0012171200000000 ] - [ -0.0010709700000000, -0.0005866600000000, -0.0005829700000000 ] - [ -0.0013731200000000, 0.0018848600000000, -0.0095618500000000 ] - [ -0.0010426600000000, -0.0003731300000000, -0.0006143800000000 ] - [ -0.0009432000000000, -0.0004837800000000, 0.0001090200000000 ] - [ -0.0009661900000000, -0.0004736300000000, -0.0001515500000000 ] - [ -0.0004927100000000, -0.0001134000000000, 0.0017638600000000 ] - [ -0.0009049400000000, -0.0004213700000000, -0.0000904500000000 ] - [ 0.0014548100000000, -0.0003487300000000, -0.0009952000000000 ] - [ -0.0014548100000000, -0.0003487300000000, -0.0009952000000000 ] - [ -0.0000191200000000, -0.0003067500000000, -0.0001596600000000 ] - [ 0.0000191200000000, -0.0003067500000000, -0.0001596600000000 ] - [ -0.0003418300000000, -0.0003141500000000, 0.0013265600000000 ] - [ 0.0003418300000000, -0.0003141500000000, 0.0013265600000000 ] - [ -0.0001207900000000, -0.0003282000000000, 0.0004138600000000 ] - [ 0.0001207900000000, -0.0003282000000000, 0.0004138600000000 ] - [ 0.0000670000000000, -0.0002483100000000, -0.0003923200000000 ] - [ -0.0000670000000000, -0.0002483100000000, -0.0003923200000000 ] - [ 0.0008196600000000, 0.0006288800000000, -0.0001180000000000 ] - [ -0.0008196600000000, 0.0006288800000000, -0.0001180000000000 ] - [ -0.0001597000000000, -0.0001509300000000, -0.0003907800000000 ] - [ 0.0001597000000000, -0.0001509300000000, -0.0003907800000000 ] - [ -0.0011276200000000, 0.0000415500000000, -0.0001109700000000 ] - [ 0.0011276200000000, 0.0000415500000000, -0.0001109700000000 ] - [ 0.0010709700000000, -0.0005866600000000, -0.0005829700000000 ] - [ 0.0010077500000000, -0.0010687400000000, -0.0012171200000000 ] - [ 0.0010426600000000, -0.0003731300000000, -0.0006143800000000 ] - [ 0.0013731200000000, 0.0018848600000000, -0.0095618500000000 ] - [ 0.0009661900000000, -0.0004736300000000, -0.0001515500000000 ] - [ 0.0009432000000000, -0.0004837800000000, 0.0001090200000000 ] - [ 0.0009049400000000, -0.0004213700000000, -0.0000904500000000 ] - [ 0.0004927100000000, -0.0001134000000000, 0.0017638600000000 ] - [ 0.0000812300000000, 0.0002932200000000, -0.0001834700000000 ] - [ -0.0039826200000000, -0.0002126000000000, 0.0010098800000000 ] - [ -0.0009469900000000, 0.0004850000000000, -0.0003595400000000 ] - [ -0.0010396400000000, 0.0005434100000000, -0.0004324300000000 ] - [ -0.0019069300000000, 0.0006645400000000, -0.0004633800000000 ] - [ 0.0016032400000000, 0.0012166200000000, 0.0010574700000000 ] - [ -0.0012944500000000, 0.0004347000000000, -0.0003626700000000 ] - [ -0.0002547000000000, -0.0002247500000000, -0.0002329100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0009123500000000, -0.0110966700000000 ] - [ 0.0000000000000000, 0.0000184900000000, -0.0001578200000000 ] - [ 0.0000000000000000, -0.0001162700000000, -0.0002180400000000 ] - [ 0.0000000000000000, -0.0000920300000000, -0.0001426800000000 ] - [ 0.0000000000000000, 0.0017609100000000, 0.0048779000000000 ] - [ 0.0000000000000000, -0.0001641000000000, -0.0000902400000000 ] - [ 0.0000000000000000, -0.0007165400000000, 0.0000419200000000 ] - [ 0.0000000000000000, -0.0001347400000000, -0.0001099200000000 ] - [ 0.0024872400000000, -0.0017424000000000, -0.0040755600000000 ] - [ -0.0000725600000000, 0.0001070600000000, -0.0004051400000000 ] - [ -0.0002844400000000, -0.0001714300000000, -0.0003034500000000 ] - [ 0.0000379000000000, 0.0001785800000000, -0.0000731600000000 ] - [ 0.0001075700000000, 0.0001454500000000, 0.0011214000000000 ] - [ 0.0000065600000000, 0.0001948300000000, 0.0005024600000000 ] - [ 0.0000372000000000, 0.0001747900000000, 0.0003645700000000 ] - [ 0.0000463000000000, 0.0001957500000000, 0.0001958800000000 ] - [ 0.0001764800000000, -0.0010102800000000, 0.0001337900000000 ] - [ -0.0001523100000000, -0.0004351300000000, 0.0000414600000000 ] - [ 0.0009262700000000, 0.0016144500000000, 0.0004923900000000 ] - [ -0.0001837000000000, 0.0000296700000000, 0.0000267800000000 ] - [ -0.0000238100000000, 0.0002571300000000, 0.0002047500000000 ] - [ 0.0001216200000000, -0.0000347900000000, 0.0001035000000000 ] - [ -0.0020351500000000, -0.0010261800000000, 0.0010429600000000 ] - [ 0.0002175700000000, -0.0002668600000000, 0.0001163500000000 ] - [ 0.0000167100000000, 0.0000376700000000, -0.0003675300000000 ] - [ -0.0000167100000000, 0.0000376700000000, -0.0003675300000000 ] - [ -0.0002950400000000, 0.0001860300000000, -0.0010926400000000 ] - [ 0.0002950400000000, 0.0001860300000000, -0.0010926400000000 ] - [ 0.0000233300000000, -0.0000072900000000, 0.0000874500000000 ] - [ -0.0000233300000000, -0.0000072900000000, 0.0000874500000000 ] - [ 0.0000204600000000, 0.0001347000000000, 0.0004545900000000 ] - [ -0.0000204600000000, 0.0001347000000000, 0.0004545900000000 ] - [ 0.0001523100000000, -0.0004351300000000, 0.0000414600000000 ] - [ -0.0001764800000000, -0.0010102800000000, 0.0001337900000000 ] - [ 0.0001837000000000, 0.0000296700000000, 0.0000267800000000 ] - [ -0.0009262700000000, 0.0016144500000000, 0.0004923900000000 ] - [ -0.0001216200000000, -0.0000347900000000, 0.0001035000000000 ] - [ 0.0000238100000000, 0.0002571300000000, 0.0002047500000000 ] - [ -0.0002175700000000, -0.0002668600000000, 0.0001163500000000 ] - [ 0.0020351500000000, -0.0010261800000000, 0.0010429600000000 ] - [ 0.0000725600000000, 0.0001070600000000, -0.0004051400000000 ] - [ -0.0024872400000000, -0.0017424000000000, -0.0040755600000000 ] - [ -0.0000379000000000, 0.0001785800000000, -0.0000731600000000 ] - [ 0.0002844400000000, -0.0001714300000000, -0.0003034500000000 ] - [ -0.0000065600000000, 0.0001948300000000, 0.0005024600000000 ] - [ -0.0001075700000000, 0.0001454500000000, 0.0011214000000000 ] - [ -0.0000463000000000, 0.0001957500000000, 0.0001958800000000 ] - [ -0.0000372000000000, 0.0001747900000000, 0.0003645700000000 ] - [ 0.0000000000000000, 0.0010653600000000, 0.0018671700000000 ] - [ 0.0000000000000000, 0.0012310000000000, 0.0013525000000000 ] - [ 0.0000000000000000, 0.0014548400000000, 0.0066228400000000 ] - [ 0.0000000000000000, 0.0013965900000000, 0.0015986500000000 ] - [ 0.0000000000000000, 0.0006679800000000, -0.0001664900000000 ] - [ 0.0000000000000000, 0.0011809600000000, 0.0006546600000000 ] - [ 0.0000000000000000, 0.0615228200000000, -0.0627620300000000 ] - [ 0.0000000000000000, 0.0015098700000000, 0.0004197700000000 ] - [ 0.0037361800000000, -0.0005554300000000, 0.0009645800000000 ] - [ -0.0037361800000000, -0.0005554300000000, 0.0009645800000000 ] - [ 0.0000476600000000, -0.0014587900000000, 0.0007834100000000 ] - [ -0.0000476600000000, -0.0014587900000000, 0.0007834100000000 ] - [ -0.0024562300000000, -0.0016720300000000, 0.0024083600000000 ] - [ 0.0024562300000000, -0.0016720300000000, 0.0024083600000000 ] - [ -0.0006831500000000, -0.0016763200000000, 0.0014576200000000 ] - [ 0.0006831500000000, -0.0016763200000000, 0.0014576200000000 ] - [ 0.0000000000000000, -0.0741038500000000, 0.0759785100000000 ] - [ 0.0000000000000000, -0.0001925200000000, -0.0000205500000000 ] - [ 0.0000000000000000, 0.0003940800000000, -0.0001137600000000 ] - [ 0.0000000000000000, 0.0000521000000000, -0.0002706600000000 ] - [ 0.0000000000000000, 0.0001794900000000, -0.0026140400000000 ] - [ 0.0000000000000000, 0.0000054300000000, -0.0006905100000000 ] - [ 0.0000000000000000, 0.0002657900000000, -0.0007252300000000 ] - [ 0.0000000000000000, 0.0000726800000000, -0.0005097500000000 ] - [ 0.0000000000000000, 0.0006530500000000, -0.0005113000000000 ] - [ 0.0000000000000000, 0.0003535400000000, -0.0001426800000000 ] - [ 0.0000000000000000, -0.0014728200000000, -0.0047800100000000 ] - [ 0.0000000000000000, 0.0001134300000000, -0.0002846700000000 ] - [ 0.0000000000000000, 0.0000568300000000, 0.0007068200000000 ] - [ 0.0000000000000000, 0.0002326800000000, 0.0003111300000000 ] - [ 0.0000000000000000, 0.0203134600000000, -0.0114179100000000 ] - [ 0.0000000000000000, 0.0002791800000000, 0.0004284600000000 ] - [ -0.0019610500000000, 0.0011388500000000, -0.0017260200000000 ] - [ 0.0020725100000000, 0.0006338600000000, -0.0005373300000000 ] - [ 0.0009525600000000, 0.0003814300000000, -0.0002908200000000 ] - [ 0.0010474100000000, 0.0004423500000000, -0.0003584600000000 ] - [ 0.0036063700000000, -0.0002944200000000, -0.0017727100000000 ] - [ 0.0000844400000000, 0.0002638700000000, -0.0002503300000000 ] - [ 0.0017373000000000, 0.0011499000000000, -0.0004736300000000 ] - [ 0.0006995400000000, 0.0004939400000000, -0.0003504200000000 ] - [ -0.0009806900000000, 0.0001349500000000, 0.0005023300000000 ] - [ -0.0009253700000000, -0.0003418800000000, -0.0001344100000000 ] - [ -0.0006484500000000, -0.0028960600000000, 0.0088605600000000 ] - [ -0.0009465700000000, -0.0005493100000000, -0.0001017400000000 ] - [ -0.0010477900000000, -0.0004435000000000, -0.0008235000000000 ] - [ -0.0010313300000000, -0.0004546900000000, -0.0005666500000000 ] - [ -0.0014998100000000, -0.0008109800000000, -0.0024797300000000 ] - [ -0.0010867200000000, -0.0005021600000000, -0.0006239100000000 ] - [ -0.0014563400000000, -0.0001380400000000, 0.0011250500000000 ] - [ 0.0014563400000000, -0.0001380400000000, 0.0011250500000000 ] - [ 0.0000153100000000, -0.0001905400000000, 0.0002905400000000 ] - [ -0.0000153100000000, -0.0001905400000000, 0.0002905400000000 ] - [ 0.0003451900000000, -0.0001764900000000, -0.0011912100000000 ] - [ -0.0003451900000000, -0.0001764900000000, -0.0011912100000000 ] - [ 0.0001219200000000, -0.0001627600000000, -0.0002734500000000 ] - [ -0.0001219200000000, -0.0001627600000000, -0.0002734500000000 ] - [ -0.0000663800000000, 0.0002551300000000, -0.0003698100000000 ] - [ 0.0000663800000000, 0.0002551300000000, -0.0003698100000000 ] - [ -0.0008157300000000, -0.0006140900000000, -0.0006476200000000 ] - [ 0.0008157300000000, -0.0006140900000000, -0.0006476200000000 ] - [ 0.0001610300000000, 0.0001562800000000, -0.0003677800000000 ] - [ -0.0001610300000000, 0.0001562800000000, -0.0003677800000000 ] - [ 0.0011299400000000, -0.0000248400000000, -0.0006414400000000 ] - [ -0.0011299400000000, -0.0000248400000000, -0.0006414400000000 ] - [ 0.0009253700000000, -0.0003418800000000, -0.0001344100000000 ] - [ 0.0009806900000000, 0.0001349500000000, 0.0005023300000000 ] - [ 0.0009465700000000, -0.0005493100000000, -0.0001017400000000 ] - [ 0.0006484500000000, -0.0028960600000000, 0.0088605600000000 ] - [ 0.0010313300000000, -0.0004546900000000, -0.0005666500000000 ] - [ 0.0010477900000000, -0.0004435000000000, -0.0008235000000000 ] - [ 0.0010867200000000, -0.0005021600000000, -0.0006239100000000 ] - [ 0.0014998100000000, -0.0008109800000000, -0.0024797300000000 ] - [ -0.0020725100000000, 0.0006338600000000, -0.0005373300000000 ] - [ 0.0019610500000000, 0.0011388500000000, -0.0017260200000000 ] - [ -0.0010474100000000, 0.0004423500000000, -0.0003584600000000 ] - [ -0.0009525600000000, 0.0003814300000000, -0.0002908200000000 ] - [ -0.0000844400000000, 0.0002638700000000, -0.0002503300000000 ] - [ -0.0036063700000000, -0.0002944200000000, -0.0017727100000000 ] - [ -0.0006995400000000, 0.0004939400000000, -0.0003504200000000 ] - [ -0.0017373000000000, 0.0011499000000000, -0.0004736300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010009100000000, -0.0000986200000000, -0.0001312800000000 ] - [ -0.0005197400000000, -0.0000988000000000, -0.0001302700000000 ] - [ 0.0032594200000000, -0.0000632400000000, -0.0001198600000000 ] - [ -0.0009259500000000, -0.0000961500000000, -0.0001307500000000 ] - [ 0.0005815800000000, -0.0000953900000000, -0.0001303200000000 ] - [ -0.0003427100000000, -0.0000950900000000, -0.0001315400000000 ] - [ 0.0004847300000000, -0.0000996700000000, -0.0001209100000000 ] - [ -0.0003946700000000, -0.0000995500000000, -0.0001296300000000 ] - [ 0.0003247900000000, 0.0000075500000000, 0.0002322500000000 ] - [ -0.0002926500000000, 0.0001723500000000, 0.0000052500000000 ] - [ 0.0004093700000000, 0.0003100200000000, 0.0003182300000000 ] - [ -0.0003827300000000, 0.0000571400000000, -0.0000820600000000 ] - [ 0.0003117100000000, -0.0016625900000000, -0.0002324900000000 ] - [ -0.0004528900000000, 0.0002773000000000, 0.0001742300000000 ] - [ 0.0003695000000000, 0.0011352100000000, -0.0007704900000000 ] - [ -0.0004240600000000, 0.0000162900000000, 0.0003041600000000 ] - [ 0.0168282800000000, 0.0064004000000000, -0.0074071200000000 ] - [ -0.0009043300000000, 0.0000981600000000, -0.0000996700000000 ] - [ 0.0003874100000000, 0.0001250100000000, 0.0001524500000000 ] - [ -0.0003966800000000, -0.0003599200000000, 0.0000111200000000 ] - [ 0.0003032700000000, -0.0000450700000000, -0.0010762800000000 ] - [ -0.0004273600000000, -0.0001615000000000, 0.0001573300000000 ] - [ 0.0001928900000000, -0.0001346200000000, 0.0000790600000000 ] - [ -0.0002170600000000, -0.0002137000000000, 0.0000633900000000 ] - [ -0.0001798600000000, -0.0000047800000000, 0.0002963600000000 ] - [ -0.0001782900000000, 0.0002114700000000, -0.0005502400000000 ] - [ -0.0000127600000000, 0.0000377700000000, -0.0000456600000000 ] - [ -0.0000134100000000, 0.0001680800000000, -0.0002110900000000 ] - [ -0.0022432200000000, 0.0005286300000000, -0.0011763600000000 ] - [ -0.0022380400000000, -0.0003257200000000, 0.0009025300000000 ] - [ -0.0000346100000000, 0.0000213700000000, -0.0002792900000000 ] - [ -0.0000358800000000, 0.0001810200000000, 0.0000183200000000 ] - [ -0.0008801800000000, -0.0004296200000000, 0.0002345900000000 ] - [ 0.0162313200000000, -0.0063560200000000, 0.0070551500000000 ] - [ -0.0003713300000000, 0.0000326100000000, 0.0001232600000000 ] - [ 0.0004116200000000, -0.0004530700000000, -0.0000190700000000 ] - [ -0.0004002200000000, -0.0001701200000000, -0.0000226800000000 ] - [ 0.0003281000000000, -0.0002821000000000, 0.0012236900000000 ] - [ -0.0001908000000000, -0.0001163600000000, 0.0000717600000000 ] - [ 0.0002185600000000, -0.0001977900000000, 0.0000573500000000 ] - [ -0.0003175900000000, 0.0001556400000000, 0.0001308400000000 ] - [ 0.0002996900000000, 0.0003185900000000, -0.0000968400000000 ] - [ -0.0004089600000000, 0.0002704100000000, 0.0002180900000000 ] - [ 0.0003809300000000, 0.0000163300000000, -0.0001814500000000 ] - [ -0.0004777700000000, 0.0000505700000000, -0.0000409800000000 ] - [ 0.0002830400000000, 0.0019952300000000, 0.0003624200000000 ] - [ -0.0004497400000000, 0.0003112800000000, -0.0001736100000000 ] - [ 0.0003309000000000, -0.0008110000000000, 0.0008944000000000 ] - [ 0.0429340600000000, 0.0013176400000000, 0.0004074500000000 ] - [ -0.0018876800000000, 0.0013125200000000, 0.0010257300000000 ] - [ 0.0010761000000000, 0.0013098300000000, 0.0010257300000000 ] - [ -0.0009885300000000, 0.0013127400000000, 0.0010268700000000 ] - [ 0.0036383200000000, 0.0013159800000000, 0.0010417400000000 ] - [ -0.0014255100000000, 0.0013132700000000, 0.0010298700000000 ] - [ 0.0010906800000000, 0.0013110700000000, 0.0010288900000000 ] - [ -0.0009959200000000, 0.0013132600000000, 0.0010281900000000 ] - [ -0.0016686800000000, -0.0022794400000000, 0.0017599000000000 ] - [ -0.0016677900000000, -0.0003518800000000, 0.0002956600000000 ] - [ -0.0019591000000000, 0.0024655300000000, 0.0029285700000000 ] - [ -0.0019566300000000, -0.0050734100000000, -0.0008643500000000 ] - [ -0.0005649900000000, -0.0017676700000000, 0.0005504300000000 ] - [ -0.0005657500000000, -0.0008617300000000, 0.0015057100000000 ] - [ -0.0000430700000000, -0.0005211300000000, 0.0003670800000000 ] - [ -0.0000530000000000, -0.0021094200000000, 0.0016912900000000 ] - [ -0.0005291900000000, -0.0000128300000000, -0.0003730000000000 ] - [ 0.0004243300000000, -0.0000119000000000, -0.0003736200000000 ] - [ -0.0012205200000000, -0.0000131200000000, -0.0003781500000000 ] - [ 0.0006237600000000, -0.0000131500000000, -0.0003734900000000 ] - [ -0.0007314300000000, -0.0000160700000000, -0.0003723300000000 ] - [ 0.0004164400000000, -0.0000145600000000, -0.0003726800000000 ] - [ -0.0082160000000000, 0.0000100100000000, -0.0004075500000000 ] - [ 0.0006211600000000, -0.0000122300000000, -0.0003719900000000 ] - [ -0.0714033000000000, -0.0002404300000000, 0.0010557600000000 ] - [ 0.0009753000000000, 0.0002452000000000, 0.0000481600000000 ] - [ -0.0005893200000000, 0.0002461600000000, 0.0000472100000000 ] - [ 0.0004843100000000, 0.0002457500000000, 0.0000459400000000 ] - [ -0.0012175100000000, 0.0002437500000000, 0.0000383100000000 ] - [ 0.0004724800000000, 0.0002445000000000, 0.0000456400000000 ] - [ -0.0003786100000000, 0.0002464800000000, 0.0000467100000000 ] - [ 0.0003457300000000, 0.0002461200000000, 0.0000493200000000 ] - [ 0.0019576500000000, 0.0025042300000000, -0.0010221400000000 ] - [ 0.0017870800000000, 0.0002640500000000, -0.0002994800000000 ] - [ 0.0015149400000000, -0.0016554700000000, -0.0009277700000000 ] - [ 0.0022921800000000, 0.0015236200000000, -0.0004631700000000 ] - [ 0.0010841400000000, 0.0009863300000000, 0.0000372700000000 ] - [ 0.0014031400000000, 0.0004507200000000, -0.0004743900000000 ] - [ 0.0005849800000000, 0.0002271600000000, -0.0002592800000000 ] - [ 0.0014077200000000, 0.0007200000000000, -0.0005037800000000 ] - [ -0.0026710600000000, -0.0007325400000000, -0.0019151300000000 ] - [ -0.0001139400000000, -0.0003549300000000, -0.0000643000000000 ] - [ -0.0016276500000000, -0.0006913400000000, -0.0005615000000000 ] - [ -0.0004057500000000, -0.0002691400000000, -0.0001902800000000 ] - [ -0.0027267500000000, 0.0032912000000000, 0.0172220600000000 ] - [ 0.0002383800000000, -0.0002821100000000, -0.0003382000000000 ] - [ -0.0016125900000000, -0.0006913100000000, -0.0003373200000000 ] - [ -0.0004294800000000, -0.0002820000000000, -0.0003363200000000 ] - [ 0.0003120300000000, -0.0000096900000000, -0.0004966000000000 ] - [ 0.0003123500000000, -0.0004815400000000, 0.0005894600000000 ] - [ 0.0002147700000000, -0.0008306900000000, -0.0011302100000000 ] - [ 0.0002150700000000, 0.0003363700000000, 0.0012163100000000 ] - [ 0.0003111200000000, 0.0002064200000000, 0.0004079900000000 ] - [ 0.0003132000000000, -0.0007003000000000, -0.0003147400000000 ] - [ 0.0002122400000000, -0.0007572700000000, 0.0007296100000000 ] - [ 0.0002178800000000, 0.0002682600000000, -0.0006355900000000 ] - [ 0.0036261700000000, -0.0022515100000000, -0.0018337400000000 ] - [ 0.0035979400000000, 0.0022634000000000, 0.0010766300000000 ] - [ 0.0003341300000000, 0.0005503500000000, -0.0003557800000000 ] - [ 0.0003344400000000, -0.0005217500000000, -0.0003891600000000 ] - [ 0.0002849600000000, -0.0004065200000000, -0.0000300000000000 ] - [ 0.0002880100000000, 0.0004338200000000, -0.0007175200000000 ] - [ 0.0000787000000000, 0.0003099600000000, -0.0002513700000000 ] - [ 0.0000798800000000, -0.0002849000000000, -0.0004941700000000 ] - [ 0.0018743100000000, -0.0005712800000000, -0.0006429200000000 ] - [ -0.0006836800000000, -0.0001922900000000, 0.0012007600000000 ] - [ 0.0015827500000000, -0.0006554800000000, -0.0005167400000000 ] - [ 0.0003618000000000, -0.0002330100000000, -0.0001454000000000 ] - [ 0.0022262400000000, -0.0006447500000000, -0.0003663600000000 ] - [ -0.0007109100000000, -0.0041625500000000, -0.0177925500000000 ] - [ 0.0015562900000000, -0.0006408800000000, -0.0003684300000000 ] - [ 0.0003749300000000, -0.0002277300000000, -0.0003667300000000 ] - [ -0.0002017300000000, 0.0006609600000000, -0.0004065600000000 ] - [ -0.0000271000000000, -0.0015763500000000, 0.0003181100000000 ] - [ 0.0003094600000000, -0.0006047900000000, -0.0002415100000000 ] - [ -0.0004704500000000, 0.0025685300000000, 0.0002221900000000 ] - [ -0.0005890500000000, 0.0004742500000000, -0.0002322300000000 ] - [ -0.0009000300000000, -0.0000653500000000, -0.0007443300000000 ] - [ -0.0005839700000000, 0.0002077100000000, -0.0002029800000000 ] - [ -0.0013994400000000, 0.0007014000000000, -0.0004510200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0022165800000000, 0.0005522700000000 ] - [ 0.0000000000000000, -0.0002093500000000, -0.0000932800000000 ] - [ 0.0000000000000000, 0.0155186800000000, 0.0053032100000000 ] - [ 0.0000000000000000, 0.0000224400000000, -0.0001653400000000 ] - [ 0.0000000000000000, -0.0003837800000000, -0.0002979000000000 ] - [ 0.0000000000000000, -0.0001405800000000, -0.0001322700000000 ] - [ 0.0000000000000000, 0.0001913800000000, 0.0012872800000000 ] - [ 0.0000000000000000, -0.0000370000000000, -0.0001447200000000 ] - [ -0.0000050200000000, 0.0001086600000000, 0.0004077300000000 ] - [ 0.0001531000000000, 0.0002701100000000, 0.0001430600000000 ] - [ 0.0000863900000000, -0.0000133900000000, -0.0002386800000000 ] - [ -0.0001388200000000, 0.0000684000000000, -0.0000254500000000 ] - [ -0.0011473200000000, -0.0015561800000000, -0.0011609200000000 ] - [ 0.0002221000000000, 0.0001888200000000, -0.0000520600000000 ] - [ 0.0017350100000000, -0.0015113400000000, 0.0007146400000000 ] - [ -0.0001814600000000, 0.0000917800000000, 0.0002125500000000 ] - [ 0.0063603600000000, 0.0057655700000000, -0.0033771800000000 ] - [ 0.0000557700000000, 0.0002674800000000, 0.0001026200000000 ] - [ 0.0001195100000000, -0.0010682000000000, -0.0000393800000000 ] - [ -0.0000483300000000, -0.0005912300000000, 0.0000549400000000 ] - [ -0.0000077400000000, 0.0002324800000000, -0.0005661500000000 ] - [ 0.0000895600000000, -0.0000004300000000, -0.0000018900000000 ] - [ 0.0000961200000000, -0.0005682400000000, 0.0001662000000000 ] - [ -0.0000308500000000, -0.0003643000000000, 0.0000707400000000 ] - [ -0.0000714100000000, 0.0004769300000000, -0.0002107700000000 ] - [ 0.0000714100000000, 0.0004769300000000, -0.0002107700000000 ] - [ 0.0000284300000000, -0.0002092400000000, -0.0000795800000000 ] - [ -0.0000284300000000, -0.0002092400000000, -0.0000795800000000 ] - [ -0.0002851800000000, 0.0011825700000000, 0.0002900800000000 ] - [ 0.0002851800000000, 0.0011825700000000, 0.0002900800000000 ] - [ 0.0000461900000000, -0.0003007400000000, -0.0002094700000000 ] - [ -0.0000461900000000, -0.0003007400000000, -0.0002094700000000 ] - [ -0.0000557700000000, 0.0002674800000000, 0.0001026200000000 ] - [ -0.0063603600000000, 0.0057655700000000, -0.0033771800000000 ] - [ 0.0000483300000000, -0.0005912300000000, 0.0000549400000000 ] - [ -0.0001195100000000, -0.0010682000000000, -0.0000393800000000 ] - [ -0.0000895600000000, -0.0000004300000000, -0.0000018900000000 ] - [ 0.0000077400000000, 0.0002324800000000, -0.0005661500000000 ] - [ 0.0000308500000000, -0.0003643000000000, 0.0000707400000000 ] - [ -0.0000961200000000, -0.0005682400000000, 0.0001662000000000 ] - [ -0.0001531000000000, 0.0002701100000000, 0.0001430600000000 ] - [ 0.0000050200000000, 0.0001086600000000, 0.0004077300000000 ] - [ 0.0001388200000000, 0.0000684000000000, -0.0000254500000000 ] - [ -0.0000863900000000, -0.0000133900000000, -0.0002386800000000 ] - [ -0.0002221000000000, 0.0001888200000000, -0.0000520600000000 ] - [ 0.0011473200000000, -0.0015561800000000, -0.0011609200000000 ] - [ 0.0001814600000000, 0.0000917800000000, 0.0002125500000000 ] - [ -0.0017350100000000, -0.0015113400000000, 0.0007146400000000 ] - [ 0.0000000000000000, 0.0453565400000000, -0.0029198500000000 ] - [ 0.0000000000000000, 0.0019525400000000, 0.0012805800000000 ] - [ 0.0000000000000000, -0.0011747000000000, 0.0010363200000000 ] - [ 0.0000000000000000, 0.0008358900000000, 0.0009347400000000 ] - [ 0.0000000000000000, 0.0045831500000000, 0.0011296700000000 ] - [ 0.0000000000000000, 0.0017950500000000, 0.0009606600000000 ] - [ 0.0000000000000000, 0.0001123600000000, 0.0010904700000000 ] - [ 0.0000000000000000, 0.0008562400000000, 0.0010278500000000 ] - [ -0.0023446000000000, -0.0028773700000000, 0.0019044000000000 ] - [ 0.0023446000000000, -0.0028773700000000, 0.0019044000000000 ] - [ 0.0034044900000000, 0.0002610500000000, -0.0001608400000000 ] - [ -0.0034044900000000, 0.0002610500000000, -0.0001608400000000 ] - [ -0.0003755700000000, -0.0017840400000000, 0.0006715800000000 ] - [ 0.0003755700000000, -0.0017840400000000, 0.0006715800000000 ] - [ 0.0008091800000000, -0.0004167300000000, 0.0015249400000000 ] - [ -0.0008091800000000, -0.0004167300000000, 0.0015249400000000 ] - [ 0.0000000000000000, 0.0008647900000000, -0.0007943200000000 ] - [ 0.0000000000000000, 0.0002712500000000, -0.0004892800000000 ] - [ 0.0000000000000000, -0.0015327100000000, 0.0013418000000000 ] - [ 0.0000000000000000, -0.0002944200000000, -0.0002466300000000 ] - [ 0.0000000000000000, 0.0018463600000000, -0.0001941800000000 ] - [ 0.0000000000000000, 0.0002747100000000, -0.0003671900000000 ] - [ 0.0000000000000000, 0.0009158600000000, -0.0201710900000000 ] - [ 0.0000000000000000, -0.0003389200000000, -0.0004133400000000 ] - [ 0.0000000000000000, -0.0581768200000000, 0.0052003500000000 ] - [ 0.0000000000000000, -0.0000685600000000, -0.0000866100000000 ] - [ 0.0000000000000000, 0.0013248000000000, 0.0001142900000000 ] - [ 0.0000000000000000, 0.0005240600000000, 0.0001202400000000 ] - [ 0.0000000000000000, -0.0008308600000000, 0.0000389800000000 ] - [ 0.0000000000000000, 0.0000798000000000, 0.0001134900000000 ] - [ 0.0000000000000000, 0.0006663400000000, 0.0000104400000000 ] - [ 0.0000000000000000, 0.0004095000000000, 0.0000772100000000 ] - [ 0.0037439800000000, 0.0026063400000000, -0.0012866000000000 ] - [ 0.0001257900000000, 0.0004556900000000, -0.0003836800000000 ] - [ -0.0023525200000000, 0.0017393700000000, 0.0007765900000000 ] - [ 0.0020367100000000, 0.0004755500000000, -0.0004136900000000 ] - [ 0.0012087600000000, 0.0007396700000000, -0.0001751800000000 ] - [ 0.0008119400000000, 0.0004449500000000, -0.0002832300000000 ] - [ 0.0002838500000000, 0.0004602800000000, -0.0007118700000000 ] - [ 0.0012949500000000, 0.0004705900000000, -0.0004661400000000 ] - [ -0.0011666700000000, -0.0016762700000000, -0.0012982300000000 ] - [ -0.0010595700000000, -0.0007518700000000, -0.0003647300000000 ] - [ -0.0008957900000000, 0.0001356500000000, -0.0002087200000000 ] - [ -0.0009450000000000, -0.0001795400000000, -0.0003252400000000 ] - [ 0.0029303300000000, -0.0071391600000000, 0.0095484600000000 ] - [ -0.0011976000000000, -0.0007673200000000, -0.0004281900000000 ] - [ -0.0008226200000000, 0.0007221100000000, -0.0003259300000000 ] - [ -0.0009231900000000, -0.0002021800000000, -0.0003377000000000 ] - [ 0.0004548100000000, 0.0000758500000000, -0.0006049800000000 ] - [ -0.0004548100000000, 0.0000758500000000, -0.0006049800000000 ] - [ -0.0005117400000000, -0.0005867500000000, 0.0007799600000000 ] - [ 0.0005117400000000, -0.0005867500000000, 0.0007799600000000 ] - [ 0.0002352300000000, 0.0000740200000000, 0.0004121100000000 ] - [ -0.0002352300000000, 0.0000740200000000, 0.0004121100000000 ] - [ -0.0005842500000000, -0.0005867700000000, -0.0003821800000000 ] - [ 0.0005842500000000, -0.0005867700000000, -0.0003821800000000 ] - [ -0.0009425600000000, -0.0015981900000000, -0.0002741600000000 ] - [ 0.0009425600000000, -0.0015981900000000, -0.0002741600000000 ] - [ 0.0003993900000000, 0.0013013500000000, -0.0003236300000000 ] - [ -0.0003993900000000, 0.0013013500000000, -0.0003236300000000 ] - [ 0.0000676000000000, -0.0007808800000000, -0.0003152200000000 ] - [ -0.0000676000000000, -0.0007808800000000, -0.0003152200000000 ] - [ 0.0000231700000000, 0.0004163400000000, -0.0003008300000000 ] - [ -0.0000231700000000, 0.0004163400000000, -0.0003008300000000 ] - [ 0.0010595700000000, -0.0007518700000000, -0.0003647300000000 ] - [ 0.0011666700000000, -0.0016762700000000, -0.0012982300000000 ] - [ 0.0009450000000000, -0.0001795400000000, -0.0003252400000000 ] - [ 0.0008957900000000, 0.0001356500000000, -0.0002087200000000 ] - [ 0.0011976000000000, -0.0007673200000000, -0.0004281900000000 ] - [ -0.0029303300000000, -0.0071391600000000, 0.0095484600000000 ] - [ 0.0009231900000000, -0.0002021800000000, -0.0003377000000000 ] - [ 0.0008226200000000, 0.0007221100000000, -0.0003259300000000 ] - [ -0.0001257900000000, 0.0004556900000000, -0.0003836800000000 ] - [ -0.0037439800000000, 0.0026063400000000, -0.0012866000000000 ] - [ -0.0020367100000000, 0.0004755500000000, -0.0004136900000000 ] - [ 0.0023525200000000, 0.0017393700000000, 0.0007765900000000 ] - [ -0.0008119400000000, 0.0004449500000000, -0.0002832300000000 ] - [ -0.0012087600000000, 0.0007396700000000, -0.0001751800000000 ] - [ -0.0012949500000000, 0.0004705900000000, -0.0004661400000000 ] - [ -0.0002838500000000, 0.0004602800000000, -0.0007118700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0020164600000000, -0.0008122700000000 ] - [ 0.0000000000000000, 0.0000210100000000, -0.0001710600000000 ] - [ 0.0000000000000000, -0.0165210800000000, -0.0060725500000000 ] - [ 0.0000000000000000, -0.0002079800000000, -0.0001008000000000 ] - [ 0.0000000000000000, 0.0002050200000000, 0.0000336300000000 ] - [ 0.0000000000000000, -0.0000456000000000, -0.0001324200000000 ] - [ 0.0000000000000000, -0.0003869100000000, -0.0015404300000000 ] - [ 0.0000000000000000, -0.0001524100000000, -0.0001191100000000 ] - [ 0.0000268500000000, 0.0002367800000000, -0.0002680000000000 ] - [ -0.0001291200000000, 0.0000767300000000, -0.0000059200000000 ] - [ -0.0000647800000000, 0.0003593300000000, 0.0003768700000000 ] - [ 0.0001625800000000, 0.0002778700000000, 0.0001615600000000 ] - [ 0.0011595400000000, 0.0019027200000000, 0.0012759600000000 ] - [ -0.0001996500000000, 0.0001569400000000, 0.0001857600000000 ] - [ -0.0017148200000000, 0.0018595900000000, -0.0005904300000000 ] - [ 0.0002037900000000, 0.0002536400000000, -0.0000789200000000 ] - [ -0.0062612400000000, -0.0061320900000000, 0.0034249000000000 ] - [ -0.0000772200000000, -0.0006161400000000, 0.0000319400000000 ] - [ -0.0001431300000000, 0.0007222300000000, 0.0001745600000000 ] - [ 0.0000264400000000, 0.0002430300000000, 0.0000808100000000 ] - [ -0.0000117200000000, -0.0005820000000000, 0.0007169700000000 ] - [ -0.0001133900000000, -0.0003491900000000, 0.0001383500000000 ] - [ -0.0001210500000000, 0.0002216900000000, -0.0000308800000000 ] - [ 0.0000065300000000, 0.0000185500000000, 0.0000649500000000 ] - [ 0.0000706800000000, -0.0002817000000000, -0.0000501900000000 ] - [ -0.0000706800000000, -0.0002817000000000, -0.0000501900000000 ] - [ -0.0000291500000000, 0.0004007100000000, -0.0001826200000000 ] - [ 0.0000291500000000, 0.0004007100000000, -0.0001826200000000 ] - [ 0.0002957200000000, -0.0009948400000000, -0.0005566200000000 ] - [ -0.0002957200000000, -0.0009948400000000, -0.0005566200000000 ] - [ -0.0000467500000000, 0.0004936400000000, -0.0000559300000000 ] - [ 0.0000467500000000, 0.0004936400000000, -0.0000559300000000 ] - [ 0.0000772200000000, -0.0006161400000000, 0.0000319400000000 ] - [ 0.0062612400000000, -0.0061320900000000, 0.0034249000000000 ] - [ -0.0000264400000000, 0.0002430300000000, 0.0000808100000000 ] - [ 0.0001431300000000, 0.0007222300000000, 0.0001745600000000 ] - [ 0.0001133900000000, -0.0003491900000000, 0.0001383500000000 ] - [ 0.0000117200000000, -0.0005820000000000, 0.0007169700000000 ] - [ -0.0000065300000000, 0.0000185500000000, 0.0000649500000000 ] - [ 0.0001210500000000, 0.0002216900000000, -0.0000308800000000 ] - [ 0.0001291200000000, 0.0000767300000000, -0.0000059200000000 ] - [ -0.0000268500000000, 0.0002367800000000, -0.0002680000000000 ] - [ -0.0001625800000000, 0.0002778700000000, 0.0001615600000000 ] - [ 0.0000647800000000, 0.0003593300000000, 0.0003768700000000 ] - [ 0.0001996500000000, 0.0001569400000000, 0.0001857600000000 ] - [ -0.0011595400000000, 0.0019027200000000, 0.0012759600000000 ] - [ -0.0002037900000000, 0.0002536400000000, -0.0000789200000000 ] - [ 0.0017148200000000, 0.0018595900000000, -0.0005904300000000 ] - [ 0.0000000000000000, -0.0426465700000000, 0.0037445200000000 ] - [ 0.0000000000000000, 0.0006726500000000, 0.0007624700000000 ] - [ 0.0000000000000000, 0.0038011600000000, 0.0010020900000000 ] - [ 0.0000000000000000, 0.0017890300000000, 0.0011088400000000 ] - [ 0.0000000000000000, -0.0019485800000000, 0.0009394200000000 ] - [ 0.0000000000000000, 0.0008332800000000, 0.0010873200000000 ] - [ 0.0000000000000000, 0.0025136700000000, 0.0009600200000000 ] - [ 0.0000000000000000, 0.0017691200000000, 0.0010187200000000 ] - [ 0.0023319200000000, 0.0002410600000000, 0.0001410900000000 ] - [ -0.0023319200000000, 0.0002410600000000, 0.0001410900000000 ] - [ -0.0034172300000000, -0.0029056000000000, 0.0022059400000000 ] - [ 0.0034172300000000, -0.0029056000000000, 0.0022059400000000 ] - [ 0.0003789700000000, -0.0008426200000000, 0.0013762600000000 ] - [ -0.0003789700000000, -0.0008426200000000, 0.0013762600000000 ] - [ -0.0008086100000000, -0.0022204200000000, 0.0005229900000000 ] - [ 0.0008086100000000, -0.0022204200000000, 0.0005229900000000 ] - [ 0.0000000000000000, -0.0008486100000000, 0.0000223100000000 ] - [ 0.0000000000000000, -0.0002636600000000, -0.0002775100000000 ] - [ 0.0000000000000000, 0.0015555500000000, -0.0021176200000000 ] - [ 0.0000000000000000, 0.0003023100000000, -0.0005185200000000 ] - [ 0.0000000000000000, -0.0018317400000000, -0.0005672100000000 ] - [ 0.0000000000000000, -0.0002663200000000, -0.0003982700000000 ] - [ 0.0000000000000000, -0.0009216300000000, 0.0196100600000000 ] - [ 0.0000000000000000, 0.0003469800000000, -0.0003510400000000 ] - [ 0.0000000000000000, 0.0596159800000000, -0.0033322400000000 ] - [ 0.0000000000000000, 0.0005618500000000, 0.0002365400000000 ] - [ 0.0000000000000000, -0.0008298900000000, 0.0000432200000000 ] - [ 0.0000000000000000, -0.0000289300000000, 0.0000409200000000 ] - [ 0.0000000000000000, 0.0013234400000000, 0.0000891800000000 ] - [ 0.0000000000000000, 0.0004142300000000, 0.0000284800000000 ] - [ 0.0000000000000000, -0.0001713200000000, 0.0001529200000000 ] - [ 0.0000000000000000, 0.0000859300000000, 0.0000777900000000 ] - [ -0.0017162300000000, -0.0016640000000000, 0.0005637000000000 ] - [ 0.0018810000000000, 0.0004785700000000, -0.0003363900000000 ] - [ 0.0043813200000000, -0.0008104500000000, -0.0015026500000000 ] - [ -0.0000293300000000, 0.0004601700000000, -0.0003067000000000 ] - [ 0.0007885200000000, 0.0001842900000000, -0.0005475800000000 ] - [ 0.0011965500000000, 0.0004881000000000, -0.0004389500000000 ] - [ 0.0017233600000000, 0.0004728800000000, -0.0000108700000000 ] - [ 0.0007163500000000, 0.0004643600000000, -0.0002574800000000 ] - [ -0.0008353100000000, 0.0007400400000000, 0.0005719100000000 ] - [ -0.0009447600000000, -0.0001801200000000, -0.0003536000000000 ] - [ -0.0011119700000000, -0.0010691300000000, -0.0005138800000000 ] - [ -0.0010598800000000, -0.0007509900000000, -0.0003948900000000 ] - [ -0.0049303900000000, 0.0061364900000000, -0.0102778500000000 ] - [ -0.0008003500000000, -0.0001628800000000, -0.0002877900000000 ] - [ -0.0011827800000000, -0.0016545800000000, -0.0003905600000000 ] - [ -0.0010833500000000, -0.0007306700000000, -0.0003815300000000 ] - [ -0.0004516500000000, -0.0005711000000000, 0.0007601500000000 ] - [ 0.0004516500000000, -0.0005711000000000, 0.0007601500000000 ] - [ 0.0005139600000000, 0.0000924100000000, -0.0006204600000000 ] - [ -0.0005139600000000, 0.0000924100000000, -0.0006204600000000 ] - [ -0.0002363100000000, -0.0005725500000000, -0.0002541100000000 ] - [ 0.0002363100000000, -0.0005725500000000, -0.0002541100000000 ] - [ 0.0005830200000000, 0.0000935000000000, 0.0005443800000000 ] - [ -0.0005830200000000, 0.0000935000000000, 0.0005443800000000 ] - [ 0.0009394700000000, 0.0015987700000000, -0.0004844700000000 ] - [ -0.0009394700000000, 0.0015987700000000, -0.0004844700000000 ] - [ -0.0003952700000000, -0.0013086700000000, -0.0004415000000000 ] - [ 0.0003952700000000, -0.0013086700000000, -0.0004415000000000 ] - [ -0.0000694600000000, 0.0007749900000000, -0.0004551000000000 ] - [ 0.0000694600000000, 0.0007749900000000, -0.0004551000000000 ] - [ -0.0000230800000000, -0.0004275600000000, -0.0004669000000000 ] - [ 0.0000230800000000, -0.0004275600000000, -0.0004669000000000 ] - [ 0.0009447600000000, -0.0001801200000000, -0.0003536000000000 ] - [ 0.0008353100000000, 0.0007400400000000, 0.0005719100000000 ] - [ 0.0010598800000000, -0.0007509900000000, -0.0003948900000000 ] - [ 0.0011119700000000, -0.0010691300000000, -0.0005138800000000 ] - [ 0.0008003500000000, -0.0001628800000000, -0.0002877900000000 ] - [ 0.0049303900000000, 0.0061364900000000, -0.0102778500000000 ] - [ 0.0010833500000000, -0.0007306700000000, -0.0003815300000000 ] - [ 0.0011827800000000, -0.0016545800000000, -0.0003905600000000 ] - [ -0.0018810000000000, 0.0004785700000000, -0.0003363900000000 ] - [ 0.0017162300000000, -0.0016640000000000, 0.0005637000000000 ] - [ 0.0000293300000000, 0.0004601700000000, -0.0003067000000000 ] - [ -0.0043813200000000, -0.0008104500000000, -0.0015026500000000 ] - [ -0.0011965500000000, 0.0004881000000000, -0.0004389500000000 ] - [ -0.0007885200000000, 0.0001842900000000, -0.0005475800000000 ] - [ -0.0007163500000000, 0.0004643600000000, -0.0002574800000000 ] - [ -0.0017233600000000, 0.0004728800000000, -0.0000108700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0016001800000000, 0.0002802200000000 ] - [ 0.0000000000000000, -0.0000307200000000, -0.0000892300000000 ] - [ 0.0000000000000000, 0.0047501900000000, 0.0058810800000000 ] - [ 0.0000000000000000, -0.0000242400000000, -0.0000720500000000 ] - [ 0.0000000000000000, -0.0007587700000000, -0.0008904400000000 ] - [ 0.0000000000000000, -0.0001780600000000, -0.0001876100000000 ] - [ 0.0000000000000000, 0.0003407000000000, -0.0036088300000000 ] - [ 0.0000000000000000, -0.0001502000000000, -0.0002269000000000 ] - [ 0.0004025400000000, 0.0010281500000000, -0.0008393300000000 ] - [ -0.0000894600000000, 0.0002282100000000, -0.0002400000000000 ] - [ 0.0005576400000000, -0.0005066600000000, -0.0008484100000000 ] - [ -0.0000967800000000, 0.0000865900000000, -0.0003570000000000 ] - [ -0.0004395700000000, -0.0020392600000000, 0.0018261700000000 ] - [ 0.0002605900000000, 0.0000102200000000, 0.0004301000000000 ] - [ -0.0017349700000000, 0.0015934800000000, 0.0017866800000000 ] - [ 0.0001309700000000, 0.0002442400000000, 0.0005590200000000 ] - [ -0.0065383400000000, -0.0032566000000000, 0.0071642900000000 ] - [ -0.0004616000000000, -0.0000246200000000, 0.0002483100000000 ] - [ -0.0001177200000000, -0.0005006600000000, 0.0003134700000000 ] - [ -0.0001714500000000, -0.0003196600000000, 0.0000984500000000 ] - [ -0.0004784500000000, -0.0002643900000000, -0.0034584200000000 ] - [ 0.0004028900000000, -0.0001838500000000, -0.0002379400000000 ] - [ -0.0000399000000000, 0.0000843100000000, -0.0002939400000000 ] - [ 0.0001331300000000, -0.0000824700000000, 0.0000076900000000 ] - [ 0.0008803700000000, -0.0000711400000000, -0.0010618000000000 ] - [ -0.0008803700000000, -0.0000711400000000, -0.0010618000000000 ] - [ 0.0000754600000000, 0.0001086800000000, -0.0004757000000000 ] - [ -0.0000754600000000, 0.0001086800000000, -0.0004757000000000 ] - [ -0.0021338600000000, 0.0009807000000000, 0.0015515700000000 ] - [ 0.0021338600000000, 0.0009807000000000, 0.0015515700000000 ] - [ -0.0001789500000000, 0.0000528600000000, 0.0002777000000000 ] - [ 0.0001789500000000, 0.0000528600000000, 0.0002777000000000 ] - [ 0.0004616000000000, -0.0000246200000000, 0.0002483100000000 ] - [ 0.0065383400000000, -0.0032566000000000, 0.0071642900000000 ] - [ 0.0001714500000000, -0.0003196600000000, 0.0000984500000000 ] - [ 0.0001177200000000, -0.0005006600000000, 0.0003134700000000 ] - [ -0.0004028900000000, -0.0001838500000000, -0.0002379400000000 ] - [ 0.0004784500000000, -0.0002643900000000, -0.0034584200000000 ] - [ -0.0001331300000000, -0.0000824700000000, 0.0000076900000000 ] - [ 0.0000399000000000, 0.0000843100000000, -0.0002939400000000 ] - [ 0.0000894600000000, 0.0002282100000000, -0.0002400000000000 ] - [ -0.0004025400000000, 0.0010281500000000, -0.0008393300000000 ] - [ 0.0000967800000000, 0.0000865900000000, -0.0003570000000000 ] - [ -0.0005576400000000, -0.0005066600000000, -0.0008484100000000 ] - [ -0.0002605900000000, 0.0000102200000000, 0.0004301000000000 ] - [ 0.0004395700000000, -0.0020392600000000, 0.0018261700000000 ] - [ -0.0001309700000000, 0.0002442400000000, 0.0005590200000000 ] - [ 0.0017349700000000, 0.0015934800000000, 0.0017866800000000 ] - [ 0.0000000000000000, -0.0026008300000000, 0.2587654600000000 ] - [ 0.0000000000000000, 0.0017972500000000, 0.0022435400000000 ] - [ 0.0000000000000000, 0.0012051200000000, 0.0027942100000000 ] - [ 0.0000000000000000, 0.0012640500000000, 0.0016512300000000 ] - [ 0.0000000000000000, 0.0010944500000000, -0.0098290600000000 ] - [ 0.0000000000000000, 0.0011787600000000, 0.0001358700000000 ] - [ 0.0000000000000000, 0.0015610100000000, -0.0002352000000000 ] - [ 0.0000000000000000, 0.0012671100000000, 0.0004730300000000 ] - [ 0.0013844900000000, -0.0004954500000000, 0.0007868800000000 ] - [ -0.0013844900000000, -0.0004954500000000, 0.0007868800000000 ] - [ 0.0023594500000000, -0.0029767600000000, 0.0007679400000000 ] - [ -0.0023594500000000, -0.0029767600000000, 0.0007679400000000 ] - [ -0.0008717600000000, -0.0020124100000000, 0.0002543300000000 ] - [ 0.0008717600000000, -0.0020124100000000, 0.0002543300000000 ] - [ -0.0011538800000000, -0.0006339400000000, -0.0003966200000000 ] - [ 0.0011538800000000, -0.0006339400000000, -0.0003966200000000 ] - [ 0.0000000000000000, -0.0007397500000000, 0.0002066400000000 ] - [ 0.0000000000000000, -0.0000473100000000, -0.0001582500000000 ] - [ 0.0000000000000000, 0.0009768800000000, 0.0044844600000000 ] - [ 0.0000000000000000, -0.0000367300000000, -0.0000258600000000 ] - [ 0.0000000000000000, 0.0010191700000000, -0.0010186800000000 ] - [ 0.0000000000000000, 0.0000978300000000, -0.0006125800000000 ] - [ 0.0000000000000000, -0.0142841200000000, 0.0111038500000000 ] - [ 0.0000000000000000, -0.0001482500000000, -0.0007328300000000 ] - [ 0.0000000000000000, 0.0046960200000000, -0.3184342300000000 ] - [ 0.0000000000000000, 0.0000923100000000, -0.0007443800000000 ] - [ 0.0000000000000000, 0.0002841700000000, -0.0012193300000000 ] - [ 0.0000000000000000, 0.0002942300000000, -0.0003595300000000 ] - [ 0.0000000000000000, 0.0002169400000000, 0.0060653600000000 ] - [ 0.0000000000000000, 0.0002915900000000, 0.0006701200000000 ] - [ 0.0000000000000000, 0.0001791000000000, 0.0010478600000000 ] - [ 0.0000000000000000, 0.0002509100000000, 0.0004242200000000 ] - [ -0.0005500700000000, -0.0011725700000000, -0.0012946800000000 ] - [ 0.0015796700000000, 0.0004648400000000, -0.0006207900000000 ] - [ -0.0004459500000000, 0.0020190200000000, -0.0014025700000000 ] - [ 0.0019012600000000, 0.0010094400000000, -0.0006880800000000 ] - [ 0.0014506200000000, 0.0011334600000000, 0.0008402200000000 ] - [ 0.0006051700000000, 0.0004578000000000, -0.0000026900000000 ] - [ 0.0014530000000000, 0.0001712900000000, 0.0008563900000000 ] - [ 0.0004145700000000, 0.0001512200000000, 0.0001192700000000 ] - [ -0.0018513400000000, -0.0008045600000000, 0.0046994300000000 ] - [ -0.0007170200000000, -0.0004412000000000, 0.0000165000000000 ] - [ -0.0010179500000000, -0.0002541100000000, 0.0000688600000000 ] - [ -0.0008922100000000, -0.0003874600000000, -0.0000883600000000 ] - [ 0.0116891100000000, 0.0064144200000000, 0.0126122800000000 ] - [ -0.0015133300000000, -0.0006039300000000, -0.0007773600000000 ] - [ -0.0007934700000000, -0.0009219500000000, -0.0008398500000000 ] - [ -0.0011124600000000, -0.0004826700000000, -0.0006238900000000 ] - [ -0.0003612900000000, -0.0005821500000000, 0.0003091400000000 ] - [ 0.0003612900000000, -0.0005821500000000, 0.0003091400000000 ] - [ -0.0006835000000000, 0.0002128300000000, 0.0004655900000000 ] - [ 0.0006835000000000, 0.0002128300000000, 0.0004655900000000 ] - [ 0.0005457200000000, 0.0004353000000000, 0.0003040500000000 ] - [ -0.0005457200000000, 0.0004353000000000, 0.0003040500000000 ] - [ 0.0011755600000000, -0.0009509900000000, 0.0004588800000000 ] - [ -0.0011755600000000, -0.0009509900000000, 0.0004588800000000 ] - [ -0.0022699100000000, 0.0008369300000000, -0.0014278700000000 ] - [ 0.0022699100000000, 0.0008369300000000, -0.0014278700000000 ] - [ -0.0002585900000000, -0.0005007900000000, -0.0005967700000000 ] - [ 0.0002585900000000, -0.0005007900000000, -0.0005967700000000 ] - [ 0.0005040600000000, -0.0003315400000000, 0.0008877800000000 ] - [ -0.0005040600000000, -0.0003315400000000, 0.0008877800000000 ] - [ 0.0001354200000000, 0.0003483000000000, -0.0000300000000000 ] - [ -0.0001354200000000, 0.0003483000000000, -0.0000300000000000 ] - [ 0.0007170200000000, -0.0004412000000000, 0.0000165000000000 ] - [ 0.0018513400000000, -0.0008045600000000, 0.0046994300000000 ] - [ 0.0008922100000000, -0.0003874600000000, -0.0000883600000000 ] - [ 0.0010179500000000, -0.0002541100000000, 0.0000688600000000 ] - [ 0.0015133300000000, -0.0006039300000000, -0.0007773600000000 ] - [ -0.0116891100000000, 0.0064144200000000, 0.0126122800000000 ] - [ 0.0011124600000000, -0.0004826700000000, -0.0006238900000000 ] - [ 0.0007934700000000, -0.0009219500000000, -0.0008398500000000 ] - [ -0.0015796700000000, 0.0004648400000000, -0.0006207900000000 ] - [ 0.0005500700000000, -0.0011725700000000, -0.0012946800000000 ] - [ -0.0019012600000000, 0.0010094400000000, -0.0006880800000000 ] - [ 0.0004459500000000, 0.0020190200000000, -0.0014025700000000 ] - [ -0.0006051700000000, 0.0004578000000000, -0.0000026900000000 ] - [ -0.0014506200000000, 0.0011334600000000, 0.0008402200000000 ] - [ -0.0004145700000000, 0.0001512200000000, 0.0001192700000000 ] - [ -0.0014530000000000, 0.0001712900000000, 0.0008563900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0017806200000000, -0.0005502200000000 ] - [ 0.0000000000000000, -0.0001582300000000, -0.0001728600000000 ] - [ 0.0000000000000000, -0.0051993800000000, -0.0062072100000000 ] - [ 0.0000000000000000, -0.0001625600000000, -0.0001905200000000 ] - [ 0.0000000000000000, 0.0005708200000000, 0.0006255000000000 ] - [ 0.0000000000000000, -0.0000084500000000, -0.0000754400000000 ] - [ 0.0000000000000000, -0.0005338000000000, 0.0033408700000000 ] - [ 0.0000000000000000, -0.0000383300000000, -0.0000359700000000 ] - [ -0.0003794800000000, -0.0006960200000000, 0.0009734400000000 ] - [ 0.0001159900000000, 0.0001071400000000, 0.0003746600000000 ] - [ -0.0005335700000000, 0.0008439400000000, 0.0009818700000000 ] - [ 0.0001231500000000, 0.0002500400000000, 0.0004912800000000 ] - [ 0.0004757800000000, 0.0023814200000000, -0.0016706900000000 ] - [ -0.0002332700000000, 0.0003265100000000, -0.0002923300000000 ] - [ 0.0017574400000000, -0.0012630800000000, -0.0016339100000000 ] - [ -0.0001062500000000, 0.0000936200000000, -0.0004211500000000 ] - [ 0.0067935500000000, 0.0030511800000000, -0.0071055300000000 ] - [ 0.0004326000000000, -0.0003114500000000, -0.0001138200000000 ] - [ 0.0000911700000000, 0.0001606600000000, -0.0001789700000000 ] - [ 0.0001448400000000, -0.0000197700000000, 0.0000368300000000 ] - [ 0.0004503800000000, -0.0000741300000000, 0.0035879000000000 ] - [ -0.0004254200000000, -0.0001544900000000, 0.0003714100000000 ] - [ 0.0000125700000000, -0.0004216200000000, 0.0004298100000000 ] - [ -0.0001586200000000, -0.0002567100000000, 0.0001288300000000 ] - [ -0.0008839400000000, 0.0002688900000000, 0.0007974200000000 ] - [ 0.0008839400000000, 0.0002688900000000, 0.0007974200000000 ] - [ -0.0000762100000000, 0.0000878600000000, 0.0002129400000000 ] - [ 0.0000762100000000, 0.0000878600000000, 0.0002129400000000 ] - [ 0.0021383900000000, -0.0007764200000000, -0.0017929100000000 ] - [ -0.0021383900000000, -0.0007764200000000, -0.0017929100000000 ] - [ 0.0001781600000000, 0.0001405400000000, -0.0005367300000000 ] - [ -0.0001781600000000, 0.0001405400000000, -0.0005367300000000 ] - [ -0.0004326000000000, -0.0003114500000000, -0.0001138200000000 ] - [ -0.0067935500000000, 0.0030511800000000, -0.0071055300000000 ] - [ -0.0001448400000000, -0.0000197700000000, 0.0000368300000000 ] - [ -0.0000911700000000, 0.0001606600000000, -0.0001789700000000 ] - [ 0.0004254200000000, -0.0001544900000000, 0.0003714100000000 ] - [ -0.0004503800000000, -0.0000741300000000, 0.0035879000000000 ] - [ 0.0001586200000000, -0.0002567100000000, 0.0001288300000000 ] - [ -0.0000125700000000, -0.0004216200000000, 0.0004298100000000 ] - [ -0.0001159900000000, 0.0001071400000000, 0.0003746600000000 ] - [ 0.0003794800000000, -0.0006960200000000, 0.0009734400000000 ] - [ -0.0001231500000000, 0.0002500400000000, 0.0004912800000000 ] - [ 0.0005335700000000, 0.0008439400000000, 0.0009818700000000 ] - [ 0.0002332700000000, 0.0003265100000000, -0.0002923300000000 ] - [ -0.0004757800000000, 0.0023814200000000, -0.0016706900000000 ] - [ 0.0001062500000000, 0.0000936200000000, -0.0004211500000000 ] - [ -0.0017574400000000, -0.0012630800000000, -0.0016339100000000 ] - [ 0.0000000000000000, 0.0048652700000000, -0.2413354500000000 ] - [ 0.0000000000000000, 0.0008354800000000, -0.0001846900000000 ] - [ 0.0000000000000000, 0.0014254600000000, -0.0007317800000000 ] - [ 0.0000000000000000, 0.0013619000000000, 0.0004032400000000 ] - [ 0.0000000000000000, 0.0015382200000000, 0.0119074300000000 ] - [ 0.0000000000000000, 0.0014526700000000, 0.0019086400000000 ] - [ 0.0000000000000000, 0.0010663400000000, 0.0022762000000000 ] - [ 0.0000000000000000, 0.0013618300000000, 0.0015710000000000 ] - [ -0.0013710100000000, -0.0021303900000000, 0.0012545500000000 ] - [ 0.0013710100000000, -0.0021303900000000, 0.0012545500000000 ] - [ -0.0023461100000000, 0.0003309000000000, 0.0012577800000000 ] - [ 0.0023461100000000, 0.0003309000000000, 0.0012577800000000 ] - [ 0.0008621600000000, -0.0006246900000000, 0.0017943800000000 ] - [ -0.0008621600000000, -0.0006246900000000, 0.0017943800000000 ] - [ 0.0011440500000000, -0.0019933900000000, 0.0024496900000000 ] - [ -0.0011440500000000, -0.0019933900000000, 0.0024496900000000 ] - [ 0.0000000000000000, 0.0007313900000000, -0.0009594200000000 ] - [ 0.0000000000000000, 0.0000348100000000, -0.0005954300000000 ] - [ 0.0000000000000000, -0.0009979300000000, -0.0052494400000000 ] - [ 0.0000000000000000, 0.0000247100000000, -0.0007262000000000 ] - [ 0.0000000000000000, -0.0010387600000000, 0.0002593200000000 ] - [ 0.0000000000000000, -0.0001160300000000, -0.0001431900000000 ] - [ 0.0000000000000000, 0.0139368100000000, -0.0116287800000000 ] - [ 0.0000000000000000, 0.0001321400000000, -0.0000245900000000 ] - [ 0.0000000000000000, -0.0038715800000000, 0.3024487000000000 ] - [ 0.0000000000000000, 0.0004009200000000, 0.0008635300000000 ] - [ 0.0000000000000000, 0.0002120400000000, 0.0013364700000000 ] - [ 0.0000000000000000, 0.0002022100000000, 0.0004773800000000 ] - [ 0.0000000000000000, 0.0002752500000000, -0.0059488200000000 ] - [ 0.0000000000000000, 0.0002029900000000, -0.0005413100000000 ] - [ 0.0000000000000000, 0.0003155400000000, -0.0009124400000000 ] - [ 0.0000000000000000, 0.0002440600000000, -0.0002976400000000 ] - [ 0.0025249000000000, 0.0020808700000000, 0.0005911700000000 ] - [ 0.0004137400000000, 0.0004560600000000, -0.0000894000000000 ] - [ 0.0024226100000000, -0.0010788400000000, 0.0007019700000000 ] - [ 0.0001008500000000, -0.0000776100000000, -0.0000237500000000 ] - [ 0.0005453600000000, -0.0002046200000000, -0.0015467600000000 ] - [ 0.0013913800000000, 0.0004703100000000, -0.0007096200000000 ] - [ 0.0005450200000000, 0.0007515800000000, -0.0015643900000000 ] - [ 0.0015721700000000, 0.0007707600000000, -0.0008288300000000 ] - [ -0.0001297600000000, -0.0001163300000000, -0.0054188200000000 ] - [ -0.0012784700000000, -0.0004854300000000, -0.0007249600000000 ] - [ -0.0009765200000000, -0.0006708800000000, -0.0007767300000000 ] - [ -0.0011008300000000, -0.0005364000000000, -0.0006201700000000 ] - [ -0.0133819800000000, -0.0071719000000000, -0.0130694100000000 ] - [ -0.0004859300000000, -0.0003236700000000, 0.0000614100000000 ] - [ -0.0012009000000000, -0.0000052400000000, 0.0001236200000000 ] - [ -0.0008839200000000, -0.0004417000000000, -0.0000904500000000 ] - [ 0.0003590900000000, 0.0000872800000000, -0.0001820700000000 ] - [ -0.0003590900000000, 0.0000872800000000, -0.0001820700000000 ] - [ 0.0006844200000000, -0.0007060100000000, -0.0003281300000000 ] - [ -0.0006844200000000, -0.0007060100000000, -0.0003281300000000 ] - [ -0.0005416400000000, -0.0009261700000000, -0.0001804700000000 ] - [ 0.0005416400000000, -0.0009261700000000, -0.0001804700000000 ] - [ -0.0011708000000000, 0.0004546300000000, -0.0003409300000000 ] - [ 0.0011708000000000, 0.0004546300000000, -0.0003409300000000 ] - [ 0.0022477200000000, -0.0008144300000000, 0.0006860200000000 ] - [ -0.0022477200000000, -0.0008144300000000, 0.0006860200000000 ] - [ 0.0002555800000000, 0.0005154600000000, -0.0001572000000000 ] - [ -0.0002555800000000, 0.0005154600000000, -0.0001572000000000 ] - [ -0.0004989100000000, 0.0003426400000000, -0.0016389600000000 ] - [ 0.0004989100000000, 0.0003426400000000, -0.0016389600000000 ] - [ -0.0001328400000000, -0.0003334800000000, -0.0007232900000000 ] - [ 0.0001328400000000, -0.0003334800000000, -0.0007232900000000 ] - [ 0.0012784700000000, -0.0004854300000000, -0.0007249600000000 ] - [ 0.0001297600000000, -0.0001163300000000, -0.0054188200000000 ] - [ 0.0011008300000000, -0.0005364000000000, -0.0006201700000000 ] - [ 0.0009765200000000, -0.0006708800000000, -0.0007767300000000 ] - [ 0.0004859300000000, -0.0003236700000000, 0.0000614100000000 ] - [ 0.0133819800000000, -0.0071719000000000, -0.0130694100000000 ] - [ 0.0008839200000000, -0.0004417000000000, -0.0000904500000000 ] - [ 0.0012009000000000, -0.0000052400000000, 0.0001236200000000 ] - [ -0.0004137400000000, 0.0004560600000000, -0.0000894000000000 ] - [ -0.0025249000000000, 0.0020808700000000, 0.0005911700000000 ] - [ -0.0001008500000000, -0.0000776100000000, -0.0000237500000000 ] - [ -0.0024226100000000, -0.0010788400000000, 0.0007019700000000 ] - [ -0.0013913800000000, 0.0004703100000000, -0.0007096200000000 ] - [ -0.0005453600000000, -0.0002046200000000, -0.0015467600000000 ] - [ -0.0015721700000000, 0.0007707600000000, -0.0008288300000000 ] - [ -0.0005450200000000, 0.0007515800000000, -0.0015643900000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0057382600000000, -0.0013004900000000, 0.0005947900000000 ] - [ -0.0032979300000000, -0.0012538000000000, 0.0003789400000000 ] - [ 0.0002071900000000, -0.0006131000000000, -0.0003344300000000 ] - [ -0.0002866600000000, 0.0000110200000000, -0.0001179300000000 ] - [ 0.0002799400000000, -0.0002054100000000, 0.0002985400000000 ] - [ -0.0003701900000000, 0.0000232400000000, -0.0001822900000000 ] - [ 0.0000954300000000, -0.0002926300000000, 0.0000746100000000 ] - [ -0.0001263900000000, -0.0000331700000000, -0.0001827200000000 ] - [ 0.0028768400000000, 0.0009034400000000, -0.0024431400000000 ] - [ -0.0008145200000000, 0.0002218800000000, 0.0002081500000000 ] - [ 0.0005101100000000, 0.0000357100000000, 0.0001152300000000 ] - [ -0.0004160800000000, 0.0000283000000000, 0.0001140500000000 ] - [ 0.0041691800000000, 0.0004778200000000, -0.0005691300000000 ] - [ -0.0009859300000000, 0.0002226900000000, -0.0000514000000000 ] - [ 0.0006974000000000, 0.0000916300000000, -0.0000914000000000 ] - [ -0.0004604300000000, 0.0000394400000000, 0.0000837600000000 ] - [ 0.0040962400000000, 0.0003914300000000, 0.0001546700000000 ] - [ -0.0009609800000000, -0.0000654000000000, 0.0000600500000000 ] - [ 0.0025121200000000, 0.0002480900000000, -0.0000241800000000 ] - [ -0.0007870300000000, -0.0003052100000000, 0.0000480400000000 ] - [ 0.0006155800000000, 0.0000118400000000, 0.0003834600000000 ] - [ -0.0004695400000000, -0.0001955300000000, 0.0000292900000000 ] - [ 0.0006475400000000, -0.0002207800000000, 0.0003235600000000 ] - [ -0.0005239300000000, -0.0002672300000000, 0.0000234200000000 ] - [ 0.0009058800000000, 0.0003866200000000, 0.0000353500000000 ] - [ -0.0006183200000000, 0.0000440600000000, -0.0001795000000000 ] - [ 0.0009411500000000, -0.0013946500000000, 0.0010832100000000 ] - [ -0.0006773200000000, 0.0002400900000000, -0.0002076100000000 ] - [ 0.0012231700000000, 0.0003586700000000, -0.0004339700000000 ] - [ -0.0007766000000000, -0.0000001500000000, -0.0000695100000000 ] - [ 0.0014236100000000, -0.0003267200000000, -0.0016786400000000 ] - [ -0.0008931500000000, 0.0002009700000000, -0.0000171100000000 ] - [ -0.0003595600000000, 0.0032490200000000, 0.0005998200000000 ] - [ -0.0015154600000000, -0.0010340100000000, -0.0001777200000000 ] - [ -0.0010433800000000, -0.0018126500000000, 0.0002698800000000 ] - [ -0.0005724800000000, 0.0002799500000000, -0.0001535900000000 ] - [ 0.0002495600000000, 0.0000658800000000, 0.0000421500000000 ] - [ -0.0003548400000000, -0.0001851800000000, 0.0002516200000000 ] - [ 0.0002005000000000, -0.0004345300000000, 0.0000713800000000 ] - [ -0.0003237300000000, -0.0000522200000000, 0.0002731000000000 ] - [ -0.0010924700000000, 0.0009885800000000, 0.0020455200000000 ] - [ -0.0007319000000000, 0.0001613700000000, -0.0005895100000000 ] - [ 0.0001509800000000, -0.0000931000000000, 0.0002499300000000 ] - [ -0.0002394500000000, 0.0001726500000000, 0.0000012600000000 ] - [ -0.0004625500000000, 0.0004623600000000, -0.0031687500000000 ] - [ -0.0015669400000000, 0.0001422100000000, 0.0009955000000000 ] - [ 0.0001832600000000, -0.0000878600000000, -0.0001004100000000 ] - [ -0.0004228800000000, 0.0002413000000000, 0.0001061000000000 ] - [ -0.0010246200000000, -0.0006409800000000, 0.0039465900000000 ] - [ -0.0014182400000000, 0.0020663500000000, 0.0000680600000000 ] - [ 0.0004977400000000, 0.0054590800000000, 0.0036326100000000 ] - [ -0.0014451500000000, -0.0000359700000000, -0.0005112600000000 ] - [ -0.0007433700000000, -0.0000617000000000, 0.0000728000000000 ] - [ -0.0016657800000000, 0.0020834200000000, 0.0016265000000000 ] - [ 0.0014522800000000, 0.0048167400000000, 0.0002907100000000 ] - [ -0.0017447900000000, -0.0000741700000000, 0.0019448100000000 ] - [ 0.1775106600000000, 0.0747417400000000, -0.0526614100000000 ] - [ -0.0045403300000000, -0.0003222300000000, 0.0002659700000000 ] - [ 0.0016252200000000, -0.0017651200000000, 0.0012910900000000 ] - [ -0.0015548300000000, -0.0015820600000000, 0.0008590500000000 ] - [ 0.0020048300000000, -0.0008816100000000, 0.0013752200000000 ] - [ -0.0016596600000000, -0.0012331200000000, 0.0013216300000000 ] - [ 0.0012715100000000, -0.0014450900000000, 0.0011093200000000 ] - [ -0.0012201100000000, -0.0014549700000000, 0.0011700300000000 ] - [ 0.0002317100000000, -0.0027035300000000, 0.0025880200000000 ] - [ 0.0013788300000000, 0.0009612800000000, -0.0014618600000000 ] - [ -0.0000008600000000, 0.0007293700000000, -0.0003365800000000 ] - [ 0.0004004100000000, -0.0003803600000000, -0.0004293800000000 ] - [ 0.0009099000000000, -0.0025554500000000, -0.0029785500000000 ] - [ 0.0009037900000000, 0.0006476600000000, 0.0005367200000000 ] - [ 0.0000081500000000, 0.0011381800000000, -0.0011184900000000 ] - [ 0.0002928600000000, -0.0004502400000000, -0.0000808500000000 ] - [ 0.0009663500000000, 0.0029692000000000, -0.0014790900000000 ] - [ 0.0007945600000000, -0.0006362800000000, 0.0006512300000000 ] - [ 0.0005253800000000, -0.0031155200000000, -0.0013620200000000 ] - [ 0.0013013300000000, 0.0012835900000000, 0.0009685600000000 ] - [ 0.0000932100000000, 0.0004547900000000, 0.0005303700000000 ] - [ 0.0004064200000000, 0.0000528600000000, -0.0003203500000000 ] - [ -0.0004053100000000, -0.0004736300000000, 0.0005163200000000 ] - [ 0.0004092700000000, 0.0005370400000000, -0.0005137300000000 ] - [ -0.2120217900000000, -0.0943012100000000, 0.0691544200000000 ] - [ 0.0039263800000000, 0.0008101900000000, -0.0005801500000000 ] - [ -0.0002928100000000, 0.0006540500000000, -0.0001340100000000 ] - [ 0.0019838000000000, 0.0007667700000000, -0.0004899900000000 ] - [ -0.0006442100000000, -0.0001343700000000, -0.0005162000000000 ] - [ 0.0020491300000000, 0.0006434600000000, -0.0005619300000000 ] - [ 0.0002137800000000, 0.0003887800000000, -0.0003560000000000 ] - [ 0.0017633400000000, 0.0007196500000000, -0.0005001200000000 ] - [ -0.0015626900000000, 0.0010155300000000, 0.0015807700000000 ] - [ -0.0000265300000000, -0.0005388700000000, -0.0004452900000000 ] - [ -0.0028871100000000, -0.0011057500000000, -0.0005930900000000 ] - [ 0.0002061200000000, 0.0000712800000000, -0.0002752000000000 ] - [ -0.0015568200000000, 0.0010028700000000, -0.0021573600000000 ] - [ -0.0000254200000000, -0.0004029900000000, -0.0000705400000000 ] - [ -0.0028901300000000, -0.0014363000000000, -0.0008630400000000 ] - [ 0.0002040100000000, 0.0000783300000000, 0.0000856400000000 ] - [ -0.0017548400000000, 0.0037050700000000, -0.0125493600000000 ] - [ 0.0012321000000000, -0.0004441400000000, 0.0005771600000000 ] - [ -0.0006182700000000, -0.0000669000000000, -0.0001304200000000 ] - [ 0.0005625700000000, -0.0001678900000000, 0.0001829100000000 ] - [ -0.0016818800000000, -0.0004080500000000, 0.0009301900000000 ] - [ 0.0008791800000000, -0.0003022700000000, -0.0002048200000000 ] - [ -0.0006319000000000, -0.0001384000000000, 0.0000976900000000 ] - [ 0.0005872100000000, -0.0001927600000000, -0.0000385900000000 ] - [ -0.0014462000000000, -0.0003545200000000, -0.0003677300000000 ] - [ 0.0008101400000000, 0.0002523700000000, -0.0003041300000000 ] - [ -0.0022163600000000, 0.0123104500000000, -0.0000116700000000 ] - [ 0.0012863700000000, -0.0005109800000000, -0.0003333900000000 ] - [ -0.0006355600000000, 0.0000050300000000, -0.0004334900000000 ] - [ 0.0005458500000000, 0.0000939800000000, -0.0004093800000000 ] - [ -0.0006879300000000, 0.0001998600000000, -0.0008820900000000 ] - [ 0.0006340600000000, -0.0001219800000000, -0.0004700200000000 ] - [ 0.0018567300000000, -0.0018001400000000, -0.0013877600000000 ] - [ 0.0014916800000000, 0.0001622900000000, 0.0002844300000000 ] - [ 0.0019079400000000, 0.0002628700000000, -0.0010894600000000 ] - [ 0.0011954000000000, -0.0012277700000000, -0.0001859000000000 ] - [ 0.0014888000000000, -0.0014371500000000, 0.0003601500000000 ] - [ 0.0018553000000000, -0.0001825300000000, -0.0011232400000000 ] - [ 0.0011923000000000, 0.0000335200000000, 0.0002496800000000 ] - [ 0.0019100600000000, -0.0014234700000000, -0.0010529600000000 ] - [ 0.0218817000000000, 0.0027341700000000, -0.0020183900000000 ] - [ 0.0033300200000000, -0.0003037000000000, 0.0001603300000000 ] - [ -0.0016500500000000, 0.0012915000000000, -0.0005016900000000 ] - [ -0.0001453200000000, 0.0003019100000000, -0.0001225800000000 ] - [ -0.0016229800000000, 0.0004627300000000, -0.0009891700000000 ] - [ -0.0001261400000000, 0.0002634700000000, -0.0002971600000000 ] - [ -0.0016273900000000, 0.0007919200000000, -0.0005276500000000 ] - [ -0.0003763200000000, 0.0003243400000000, -0.0003438500000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0063357600000000, 0.0013949200000000, -0.0010067400000000 ] - [ 0.0032882600000000, 0.0010474300000000, -0.0006354000000000 ] - [ -0.0002107600000000, 0.0004213100000000, 0.0000701400000000 ] - [ 0.0002866900000000, -0.0001971600000000, -0.0001469600000000 ] - [ -0.0002842600000000, 0.0000161700000000, -0.0005630100000000 ] - [ 0.0003705600000000, -0.0002116800000000, -0.0000832600000000 ] - [ -0.0000980600000000, 0.0000989800000000, -0.0003377300000000 ] - [ 0.0001255900000000, -0.0001573900000000, -0.0000815800000000 ] - [ -0.0028692400000000, -0.0005570700000000, 0.0025478600000000 ] - [ 0.0008372400000000, 0.0001227100000000, -0.0000759400000000 ] - [ -0.0004886500000000, 0.0003080100000000, 0.0000143900000000 ] - [ 0.0004393800000000, 0.0003164700000000, 0.0000170600000000 ] - [ -0.0041420400000000, -0.0001364900000000, 0.0006958900000000 ] - [ 0.0010055000000000, 0.0001232300000000, 0.0001769100000000 ] - [ -0.0006746200000000, 0.0002528400000000, 0.0002216700000000 ] - [ 0.0004826600000000, 0.0003059800000000, 0.0000455300000000 ] - [ -0.0041117600000000, -0.0007180400000000, -0.0000043400000000 ] - [ 0.0009367800000000, -0.0002773300000000, 0.0000804400000000 ] - [ -0.0025392500000000, -0.0005845200000000, 0.0001617700000000 ] - [ 0.0007655700000000, -0.0000441000000000, 0.0000921600000000 ] - [ -0.0006385000000000, -0.0003594200000000, -0.0002435700000000 ] - [ 0.0004463800000000, -0.0001516000000000, 0.0001093000000000 ] - [ -0.0006716000000000, -0.0001226000000000, -0.0001840900000000 ] - [ 0.0005008400000000, -0.0000780000000000, 0.0001146400000000 ] - [ -0.0009039600000000, -0.0001950900000000, -0.0003029900000000 ] - [ 0.0006160200000000, 0.0001498500000000, -0.0000839600000000 ] - [ -0.0009438800000000, 0.0015991500000000, -0.0013515900000000 ] - [ 0.0006756900000000, -0.0000440300000000, -0.0000547100000000 ] - [ -0.0012188200000000, -0.0001750600000000, 0.0001754300000000 ] - [ 0.0007744900000000, 0.0001911600000000, -0.0001967700000000 ] - [ -0.0014173500000000, 0.0005306100000000, 0.0014219100000000 ] - [ 0.0008903700000000, -0.0000058100000000, -0.0002475100000000 ] - [ 0.0003982700000000, -0.0035771300000000, -0.0004663000000000 ] - [ 0.0015419300000000, 0.0006966300000000, 0.0003101400000000 ] - [ 0.0010716100000000, 0.0014655900000000, -0.0001398100000000 ] - [ 0.0005926200000000, -0.0006297300000000, 0.0002838400000000 ] - [ -0.0002236300000000, -0.0004140400000000, 0.0000877100000000 ] - [ 0.0003762200000000, -0.0001598400000000, -0.0001220800000000 ] - [ -0.0001753500000000, 0.0000910500000000, 0.0000583600000000 ] - [ 0.0003458600000000, -0.0002919800000000, -0.0001438000000000 ] - [ 0.0010785400000000, -0.0006454400000000, -0.0018990700000000 ] - [ 0.0007094600000000, 0.0001849600000000, 0.0007320100000000 ] - [ -0.0001705600000000, 0.0004394000000000, -0.0001110800000000 ] - [ 0.0002162900000000, 0.0001720700000000, 0.0001384900000000 ] - [ 0.0004550300000000, -0.0001152000000000, 0.0032886400000000 ] - [ 0.0015506100000000, 0.0002044200000000, -0.0008652500000000 ] - [ -0.0002034000000000, 0.0004343200000000, 0.0002399600000000 ] - [ 0.0003993300000000, 0.0001044300000000, 0.0000322300000000 ] - [ 0.0010085400000000, 0.0032758300000000, -0.0019107200000000 ] - [ 0.0014191500000000, 0.0005652900000000, 0.0019708600000000 ] - [ -0.0005072000000000, -0.0028346300000000, -0.0015872900000000 ] - [ 0.0014463800000000, 0.0026510600000000, 0.0025583800000000 ] - [ 0.0007258900000000, 0.0026880800000000, 0.0019745000000000 ] - [ 0.0016639700000000, 0.0005511600000000, 0.0004187500000000 ] - [ -0.0014583100000000, -0.0021844300000000, 0.0017581700000000 ] - [ 0.0017546900000000, 0.0026924400000000, 0.0001012600000000 ] - [ -0.1702372900000000, -0.0723081100000000, 0.0511916200000000 ] - [ 0.0045447000000000, -0.0023210800000000, 0.0017881300000000 ] - [ -0.0016270400000000, -0.0008802400000000, 0.0007486100000000 ] - [ 0.0015529300000000, -0.0010467400000000, 0.0011907100000000 ] - [ -0.0020033600000000, -0.0017520800000000, 0.0006865800000000 ] - [ 0.0016612700000000, -0.0013992600000000, 0.0007247000000000 ] - [ -0.0012701300000000, -0.0011861500000000, 0.0009407700000000 ] - [ 0.0012215600000000, -0.0011722600000000, 0.0008821700000000 ] - [ -0.0002244600000000, 0.0027076300000000, -0.0033516200000000 ] - [ -0.0013822300000000, -0.0009602400000000, 0.0006979400000000 ] - [ 0.0000041400000000, -0.0007273600000000, -0.0004233200000000 ] - [ -0.0004001300000000, 0.0003806900000000, -0.0003297300000000 ] - [ -0.0009026700000000, 0.0025665200000000, 0.0022244500000000 ] - [ -0.0009017400000000, -0.0006477300000000, -0.0012891900000000 ] - [ -0.0000044400000000, -0.0011433700000000, 0.0003612800000000 ] - [ -0.0002927700000000, 0.0004471200000000, -0.0006780000000000 ] - [ -0.0009599500000000, -0.0024874700000000, 0.0016114300000000 ] - [ -0.0007922500000000, 0.0011222800000000, -0.0005077300000000 ] - [ -0.0005181600000000, 0.0036150900000000, 0.0015153900000000 ] - [ -0.0013016300000000, -0.0007821300000000, -0.0008278100000000 ] - [ -0.0000893300000000, 0.0000385600000000, -0.0003805200000000 ] - [ -0.0004055600000000, 0.0004388700000000, 0.0004553600000000 ] - [ 0.0004078700000000, 0.0009650900000000, -0.0003858900000000 ] - [ -0.0004111600000000, -0.0000431700000000, 0.0006491600000000 ] - [ 0.2067894700000000, 0.0896178600000000, -0.0660161700000000 ] - [ -0.0019168200000000, 0.0001264500000000, -0.0001370200000000 ] - [ 0.0022938700000000, 0.0002772500000000, -0.0005799900000000 ] - [ 0.0000189200000000, 0.0001644600000000, -0.0002267000000000 ] - [ 0.0026555000000000, 0.0010725800000000, -0.0002048700000000 ] - [ -0.0000362400000000, 0.0002958000000000, -0.0001575200000000 ] - [ 0.0017917500000000, 0.0005438700000000, -0.0003613400000000 ] - [ 0.0002387700000000, 0.0002110900000000, -0.0002175400000000 ] - [ -0.0004197900000000, -0.0019383200000000, -0.0022868700000000 ] - [ -0.0019790000000000, -0.0003980000000000, -0.0002721000000000 ] - [ 0.0008933600000000, 0.0001739100000000, -0.0001180500000000 ] - [ -0.0022077100000000, -0.0010004000000000, -0.0004395700000000 ] - [ -0.0004215700000000, -0.0019235700000000, 0.0014428500000000 ] - [ -0.0019808900000000, -0.0005320100000000, -0.0006458400000000 ] - [ 0.0008846500000000, 0.0004985400000000, 0.0001427900000000 ] - [ -0.0022060600000000, -0.0010086100000000, -0.0008028400000000 ] - [ 0.0016815100000000, -0.0041650400000000, 0.0125335200000000 ] - [ -0.0012320400000000, -0.0000453500000000, -0.0004464900000000 ] - [ 0.0006192100000000, -0.0004237300000000, 0.0002695900000000 ] - [ -0.0005615600000000, -0.0003247100000000, -0.0000428500000000 ] - [ 0.0016719300000000, -0.0000862700000000, -0.0008029300000000 ] - [ -0.0008787800000000, -0.0001890400000000, 0.0003528900000000 ] - [ 0.0006315000000000, -0.0003538600000000, 0.0000454100000000 ] - [ -0.0005872200000000, -0.0003004400000000, 0.0001764400000000 ] - [ 0.0014402400000000, 0.0003719100000000, -0.0003893600000000 ] - [ -0.0008095800000000, -0.0002519600000000, -0.0004555800000000 ] - [ 0.0021475700000000, -0.0121695300000000, -0.0007334300000000 ] - [ -0.0012863700000000, 0.0005188500000000, -0.0004247600000000 ] - [ 0.0006350600000000, -0.0000084500000000, -0.0003276900000000 ] - [ -0.0005459400000000, -0.0000813800000000, -0.0003479200000000 ] - [ 0.0006875000000000, -0.0002095300000000, 0.0001171800000000 ] - [ -0.0006339200000000, 0.0001179700000000, -0.0002906600000000 ] - [ 0.0001397600000000, 0.0008670600000000, 0.0006700700000000 ] - [ 0.0005208600000000, -0.0011012600000000, -0.0010059200000000 ] - [ 0.0000900900000000, -0.0011959300000000, 0.0003756600000000 ] - [ 0.0008070800000000, 0.0002957400000000, -0.0005286500000000 ] - [ 0.0005123600000000, 0.0005025800000000, -0.0010730900000000 ] - [ 0.0001463700000000, -0.0007484000000000, 0.0004116200000000 ] - [ 0.0008040600000000, -0.0009625800000000, -0.0009668600000000 ] - [ 0.0001046400000000, 0.0004860000000000, 0.0003318900000000 ] - [ -0.0232670200000000, -0.0017742600000000, 0.0012784700000000 ] - [ -0.0053429500000000, 0.0012396200000000, -0.0008758400000000 ] - [ -0.0003551100000000, -0.0003573000000000, -0.0002142500000000 ] - [ -0.0018551800000000, 0.0006287900000000, -0.0005935000000000 ] - [ -0.0003904100000000, 0.0004765300000000, 0.0002686700000000 ] - [ -0.0018755700000000, 0.0006696500000000, -0.0004186400000000 ] - [ -0.0003792400000000, 0.0001413400000000, -0.0001894300000000 ] - [ -0.0016147000000000, 0.0005999000000000, -0.0003700700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025046800000000, 0.0052154500000000, -0.0009807100000000 ] - [ -0.0006316900000000, 0.0003209400000000, -0.0002157500000000 ] - [ -0.0001518500000000, -0.0010820200000000, -0.0002674100000000 ] - [ 0.0000408600000000, -0.0003303900000000, -0.0001727200000000 ] - [ 0.0000615500000000, 0.0003298800000000, -0.0001183000000000 ] - [ -0.0001285900000000, 0.0000846500000000, -0.0001026100000000 ] - [ -0.0000227400000000, -0.0005854100000000, 0.0000017000000000 ] - [ -0.0000014800000000, -0.0002315600000000, -0.0001102700000000 ] - [ 0.0006935100000000, 0.0021755100000000, -0.0010922000000000 ] - [ -0.0001769900000000, 0.0003830900000000, 0.0000708700000000 ] - [ 0.0001204200000000, -0.0005269700000000, 0.0000880600000000 ] - [ -0.0001037000000000, -0.0000631300000000, 0.0000821000000000 ] - [ 0.0001798300000000, 0.0039099400000000, 0.0004734300000000 ] - [ -0.0001261700000000, 0.0004202900000000, 0.0000833000000000 ] - [ 0.0002213700000000, -0.0008058400000000, 0.0000150400000000 ] - [ -0.0000880700000000, -0.0001068200000000, 0.0000726400000000 ] - [ 0.0014913500000000, 0.0139346300000000, 0.0028500900000000 ] - [ -0.0001121600000000, -0.0000553200000000, 0.0000299500000000 ] - [ 0.0017146300000000, -0.0031493100000000, 0.0007031600000000 ] - [ -0.0002726200000000, -0.0003407000000000, 0.0000770400000000 ] - [ 0.0003416100000000, 0.0001249300000000, 0.0003969100000000 ] - [ -0.0000918500000000, -0.0000642400000000, 0.0001174300000000 ] - [ -0.0000144900000000, -0.0004384000000000, -0.0000354800000000 ] - [ -0.0001666200000000, -0.0003036900000000, 0.0000345000000000 ] - [ 0.0006296700000000, -0.0001317600000000, -0.0007638500000000 ] - [ -0.0003027100000000, 0.0000441100000000, -0.0001765100000000 ] - [ 0.0000582800000000, -0.0006598100000000, 0.0013857700000000 ] - [ -0.0000247900000000, 0.0001423800000000, -0.0001080700000000 ] - [ 0.0010083300000000, -0.0011853600000000, 0.0010289800000000 ] - [ -0.0003932500000000, 0.0000025800000000, -0.0001147300000000 ] - [ -0.0003569800000000, -0.0004850900000000, -0.0028884900000000 ] - [ 0.0000356600000000, 0.0001769300000000, -0.0001223100000000 ] - [ 0.0021898400000000, -0.0003357300000000, -0.0003561000000000 ] - [ -0.0011012900000000, -0.0001830700000000, -0.0001002800000000 ] - [ -0.0018232500000000, -0.0018272900000000, 0.0005637900000000 ] - [ 0.0004006300000000, -0.0004529200000000, 0.0001829300000000 ] - [ 0.0001167600000000, 0.0000635200000000, 0.0002076700000000 ] - [ -0.0003277500000000, 0.0000308900000000, 0.0002280300000000 ] - [ 0.0000419800000000, -0.0004053500000000, 0.0000087900000000 ] - [ 0.0001394800000000, -0.0003448900000000, -0.0000122800000000 ] - [ -0.0005168500000000, 0.0009374400000000, 0.0002957600000000 ] - [ -0.0001367100000000, 0.0007346200000000, -0.0000782200000000 ] - [ 0.0000935000000000, -0.0002761200000000, 0.0001345400000000 ] - [ -0.0001107200000000, -0.0002594100000000, 0.0000595600000000 ] - [ 0.0004377200000000, 0.0011571200000000, 0.0001732100000000 ] - [ -0.0003705300000000, 0.0009429900000000, 0.0003009100000000 ] - [ 0.0000138200000000, -0.0004382200000000, 0.0000131500000000 ] - [ -0.0001527400000000, -0.0004553600000000, 0.0000620200000000 ] - [ -0.0026761300000000, -0.0007755000000000, 0.0036052900000000 ] - [ 0.0004445200000000, 0.0010023300000000, 0.0010045400000000 ] - [ 0.0016415600000000, 0.0014204700000000, -0.0019654900000000 ] - [ -0.0011988500000000, 0.0016288600000000, 0.0000794400000000 ] - [ -0.0024346700000000, -0.0002627400000000, 0.0000688900000000 ] - [ 0.0000703000000000, 0.0012124100000000, 0.0010067100000000 ] - [ 0.0012891400000000, 0.0012766800000000, 0.0017587000000000 ] - [ -0.0012064700000000, 0.0013670800000000, 0.0015324400000000 ] - [ 0.0744295400000000, 0.0844179100000000, -0.0289762600000000 ] - [ -0.0006610200000000, -0.0004539600000000, 0.0008076700000000 ] - [ 0.0004362800000000, -0.0062285000000000, 0.0003294500000000 ] - [ -0.0004178300000000, -0.0019977900000000, 0.0009844600000000 ] - [ 0.0006553200000000, -0.0006156700000000, 0.0012876500000000 ] - [ -0.0003058900000000, -0.0008543600000000, 0.0010172600000000 ] - [ 0.0003723500000000, -0.0021625800000000, 0.0012475800000000 ] - [ -0.0003481000000000, -0.0018180600000000, 0.0011352700000000 ] - [ -0.0008154700000000, -0.0006436500000000, -0.0010537800000000 ] - [ 0.0005943800000000, -0.0000976900000000, -0.0005460700000000 ] - [ 0.0003975400000000, 0.0011085100000000, -0.0002977500000000 ] - [ -0.0000121900000000, 0.0001293000000000, -0.0003542400000000 ] - [ -0.0005384500000000, -0.0012984500000000, 0.0003784400000000 ] - [ 0.0002342700000000, -0.0004634600000000, -0.0001768000000000 ] - [ 0.0003228400000000, 0.0016676300000000, -0.0010637900000000 ] - [ -0.0000630500000000, 0.0002968400000000, -0.0004073000000000 ] - [ 0.0020348500000000, 0.0023734600000000, -0.0015571000000000 ] - [ -0.0001980300000000, 0.0002351200000000, 0.0000697800000000 ] - [ -0.0021164200000000, 0.0015224100000000, 0.0016259100000000 ] - [ 0.0010665900000000, 0.0002506400000000, 0.0006062100000000 ] - [ 0.0005245400000000, 0.0005196400000000, 0.0007385200000000 ] - [ -0.0000127500000000, 0.0002238400000000, 0.0000574200000000 ] - [ -0.0002342800000000, 0.0002382700000000, -0.0002158200000000 ] - [ 0.0002555400000000, 0.0002477400000000, -0.0002442100000000 ] - [ -0.0920278100000000, -0.1090478900000000, 0.0358205500000000 ] - [ 0.0013335900000000, 0.0002180700000000, -0.0003235700000000 ] - [ 0.0011818700000000, 0.0026189100000000, -0.0004108400000000 ] - [ 0.0012987900000000, 0.0008261500000000, -0.0004189800000000 ] - [ 0.0003904200000000, -0.0002820100000000, -0.0004532700000000 ] - [ 0.0011660900000000, 0.0002809000000000, -0.0003771400000000 ] - [ 0.0009166800000000, 0.0009660200000000, -0.0004088600000000 ] - [ 0.0012566300000000, 0.0007521900000000, -0.0004390700000000 ] - [ 0.0004662500000000, 0.0010767700000000, 0.0024727900000000 ] - [ -0.0009351800000000, -0.0005477700000000, -0.0003447500000000 ] - [ -0.0019744300000000, 0.0000218500000000, -0.0012703300000000 ] - [ -0.0004506700000000, -0.0002439800000000, -0.0003412900000000 ] - [ 0.0004825400000000, 0.0010754500000000, -0.0027880700000000 ] - [ -0.0010680600000000, -0.0005476500000000, -0.0004000500000000 ] - [ -0.0016407800000000, 0.0000277100000000, 0.0005584700000000 ] - [ -0.0004623000000000, -0.0002435200000000, -0.0000975300000000 ] - [ 0.0037184800000000, -0.0069249200000000, -0.0067224800000000 ] - [ 0.0001795500000000, -0.0005486100000000, 0.0001975400000000 ] - [ -0.0002297000000000, 0.0009399100000000, 0.0005199900000000 ] - [ 0.0001781600000000, 0.0000187100000000, 0.0000837200000000 ] - [ -0.0002691700000000, -0.0014534100000000, 0.0003966100000000 ] - [ 0.0001072400000000, -0.0005311800000000, 0.0000423700000000 ] - [ -0.0002261900000000, 0.0003564700000000, -0.0001381900000000 ] - [ 0.0001912800000000, 0.0000376000000000, -0.0000030500000000 ] - [ -0.0013802500000000, 0.0046387200000000, 0.0002252500000000 ] - [ 0.0003611600000000, 0.0004148600000000, -0.0002539400000000 ] - [ 0.0164302700000000, 0.0150678400000000, -0.0027779500000000 ] - [ 0.0000578200000000, -0.0004721600000000, -0.0004648600000000 ] - [ -0.0003151700000000, 0.0004344600000000, -0.0003569700000000 ] - [ 0.0002379500000000, 0.0002688200000000, -0.0003680100000000 ] - [ -0.0001026600000000, -0.0003316100000000, -0.0007216800000000 ] - [ 0.0000524300000000, -0.0002460400000000, -0.0004174700000000 ] - [ 0.0007170100000000, -0.0007709100000000, -0.0001580800000000 ] - [ 0.0019632300000000, -0.0004584100000000, -0.0000724400000000 ] - [ 0.0019512800000000, -0.0001118000000000, -0.0011693400000000 ] - [ 0.0004984100000000, -0.0002070100000000, -0.0004033800000000 ] - [ 0.0003693200000000, -0.0004562100000000, -0.0005426600000000 ] - [ 0.0023209500000000, -0.0007708100000000, -0.0010588200000000 ] - [ 0.0017618300000000, -0.0002083600000000, 0.0002734500000000 ] - [ 0.0002708100000000, -0.0001122500000000, 0.0003186000000000 ] - [ -0.0032934400000000, -0.0097127000000000, 0.0012179300000000 ] - [ -0.0002211300000000, -0.0004863000000000, -0.0001671500000000 ] - [ -0.0018185700000000, 0.0027745600000000, -0.0005224600000000 ] - [ -0.0008332700000000, 0.0009825000000000, -0.0003307700000000 ] - [ -0.0009824200000000, 0.0001025800000000, -0.0006275300000000 ] - [ -0.0007921800000000, 0.0000237200000000, -0.0003300500000000 ] - [ -0.0013217800000000, 0.0009154800000000, -0.0004836900000000 ] - [ -0.0008644000000000, 0.0008007900000000, -0.0003706200000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024211100000000, -0.0054193700000000, 0.0007034900000000 ] - [ 0.0006438500000000, -0.0005001600000000, -0.0000495500000000 ] - [ 0.0001528600000000, 0.0008938400000000, 0.0000048400000000 ] - [ -0.0000446400000000, 0.0001426100000000, -0.0000914900000000 ] - [ -0.0000652700000000, -0.0005188300000000, -0.0001462600000000 ] - [ 0.0001288000000000, -0.0002709100000000, -0.0001628700000000 ] - [ 0.0000213200000000, 0.0004001200000000, -0.0002677300000000 ] - [ -0.0000003200000000, 0.0000443900000000, -0.0001553900000000 ] - [ -0.0006796400000000, -0.0018458300000000, 0.0012086700000000 ] - [ 0.0002024900000000, -0.0000420100000000, 0.0000587400000000 ] - [ -0.0000963900000000, 0.0008692700000000, 0.0000441800000000 ] - [ 0.0001284100000000, 0.0004038700000000, 0.0000473500000000 ] - [ -0.0001586500000000, -0.0035738500000000, -0.0004002500000000 ] - [ 0.0001529200000000, -0.0000814800000000, 0.0000476800000000 ] - [ -0.0001965700000000, 0.0011471400000000, 0.0001127500000000 ] - [ 0.0001122100000000, 0.0004468900000000, 0.0000574400000000 ] - [ -0.0016992800000000, -0.0153001900000000, -0.0029724500000000 ] - [ 0.0000911800000000, -0.0002917300000000, 0.0001099600000000 ] - [ -0.0017289600000000, 0.0027936800000000, -0.0005594900000000 ] - [ 0.0002499100000000, -0.0000020100000000, 0.0000628300000000 ] - [ -0.0003677300000000, -0.0004707900000000, -0.0002582500000000 ] - [ 0.0000695500000000, -0.0002798800000000, 0.0000211900000000 ] - [ -0.0000100100000000, 0.0000977100000000, 0.0001730800000000 ] - [ 0.0001427200000000, -0.0000388600000000, 0.0001036400000000 ] - [ -0.0006349200000000, 0.0003222600000000, 0.0005047000000000 ] - [ 0.0003031100000000, 0.0001490500000000, -0.0000872400000000 ] - [ -0.0000626300000000, 0.0008667800000000, -0.0016471000000000 ] - [ 0.0000241200000000, 0.0000481900000000, -0.0001564900000000 ] - [ -0.0010168900000000, 0.0013802900000000, -0.0013019700000000 ] - [ 0.0003940200000000, 0.0001922800000000, -0.0001476200000000 ] - [ 0.0003540900000000, 0.0006890200000000, 0.0026147400000000 ] - [ -0.0000361500000000, 0.0000175200000000, -0.0001403700000000 ] - [ -0.0021814300000000, -0.0000229600000000, 0.0004861900000000 ] - [ 0.0011326500000000, -0.0001601700000000, 0.0002320300000000 ] - [ 0.0018419600000000, 0.0014897100000000, -0.0004297100000000 ] - [ -0.0003758500000000, 0.0001113100000000, -0.0000524200000000 ] - [ -0.0000935800000000, -0.0004087700000000, -0.0000785500000000 ] - [ 0.0003539700000000, -0.0003741600000000, -0.0000986800000000 ] - [ -0.0000174600000000, 0.0000653700000000, 0.0001198000000000 ] - [ -0.0001142800000000, 0.0000033800000000, 0.0001413900000000 ] - [ 0.0005017300000000, -0.0006057300000000, -0.0001666000000000 ] - [ 0.0001135100000000, -0.0003958200000000, 0.0002191100000000 ] - [ -0.0001190800000000, 0.0006177700000000, 0.0000060500000000 ] - [ 0.0000876300000000, 0.0006014200000000, 0.0000803800000000 ] - [ -0.0004581400000000, -0.0008200100000000, -0.0000200800000000 ] - [ 0.0003491300000000, -0.0006073300000000, -0.0001636700000000 ] - [ -0.0000399800000000, 0.0007784100000000, 0.0001236200000000 ] - [ 0.0001300300000000, 0.0007966800000000, 0.0000766700000000 ] - [ 0.0026835000000000, 0.0034176200000000, -0.0015749900000000 ] - [ -0.0004420900000000, 0.0016251600000000, 0.0010466700000000 ] - [ -0.0016395400000000, 0.0012186600000000, 0.0040015700000000 ] - [ 0.0011939900000000, 0.0010082700000000, 0.0019681500000000 ] - [ 0.0024389200000000, 0.0029030900000000, 0.0019760200000000 ] - [ -0.0000668800000000, 0.0014158700000000, 0.0010355800000000 ] - [ -0.0012917600000000, 0.0013629100000000, 0.0002830300000000 ] - [ 0.0012074900000000, 0.0012757700000000, 0.0005080400000000 ] - [ -0.0721641500000000, -0.0866661800000000, 0.0301271300000000 ] - [ 0.0006702000000000, -0.0021788900000000, 0.0012400200000000 ] - [ -0.0004399600000000, 0.0036031300000000, 0.0017226500000000 ] - [ 0.0004232800000000, -0.0006382800000000, 0.0010616400000000 ] - [ -0.0006624100000000, -0.0020199900000000, 0.0007608800000000 ] - [ 0.0003100200000000, -0.0017808600000000, 0.0010305000000000 ] - [ -0.0003774700000000, -0.0004709000000000, 0.0007936600000000 ] - [ 0.0003511800000000, -0.0008165700000000, 0.0009087400000000 ] - [ 0.0008228300000000, 0.0006417800000000, 0.0002966100000000 ] - [ -0.0006009200000000, 0.0000848900000000, -0.0002056000000000 ] - [ -0.0003992400000000, -0.0011119300000000, -0.0004624400000000 ] - [ 0.0000118900000000, -0.0001370300000000, -0.0004016500000000 ] - [ 0.0005438700000000, 0.0012885700000000, -0.0011402700000000 ] - [ -0.0002368200000000, 0.0004509900000000, -0.0005849300000000 ] - [ -0.0003233700000000, -0.0016733000000000, 0.0003060500000000 ] - [ 0.0000631100000000, -0.0002995700000000, -0.0003537900000000 ] - [ -0.0020441000000000, -0.0018918800000000, 0.0017017900000000 ] - [ 0.0001976800000000, 0.0002622800000000, 0.0000686200000000 ] - [ 0.0021070500000000, -0.0010253300000000, -0.0014725400000000 ] - [ -0.0010626000000000, 0.0002382100000000, -0.0004682100000000 ] - [ -0.0005254400000000, -0.0000309200000000, -0.0006009000000000 ] - [ 0.0000114900000000, 0.0002702100000000, 0.0000738200000000 ] - [ 0.0002380000000000, 0.0002542800000000, 0.0003701300000000 ] - [ -0.0002555700000000, 0.0002428200000000, 0.0003807700000000 ] - [ 0.0918143800000000, 0.1104902000000000, -0.0353096600000000 ] - [ 0.0006603000000000, 0.0007103900000000, -0.0003922200000000 ] - [ 0.0008156300000000, -0.0016934300000000, -0.0003046000000000 ] - [ 0.0007025400000000, 0.0001051700000000, -0.0002962700000000 ] - [ 0.0016130900000000, 0.0012143700000000, -0.0002590400000000 ] - [ 0.0008264900000000, 0.0006460300000000, -0.0003355200000000 ] - [ 0.0010798700000000, -0.0000420600000000, -0.0003038600000000 ] - [ 0.0007482000000000, 0.0001790800000000, -0.0002781400000000 ] - [ -0.0024644700000000, -0.0020065900000000, -0.0031965800000000 ] - [ -0.0010657400000000, -0.0003794400000000, -0.0003659600000000 ] - [ -0.0000394900000000, -0.0009644700000000, 0.0005471300000000 ] - [ -0.0015514800000000, -0.0006890400000000, -0.0003719600000000 ] - [ -0.0024847400000000, -0.0020082700000000, 0.0020875400000000 ] - [ -0.0009346600000000, -0.0003821900000000, -0.0003178000000000 ] - [ -0.0003653800000000, -0.0009604500000000, -0.0012715800000000 ] - [ -0.0015430500000000, -0.0006884500000000, -0.0006199100000000 ] - [ -0.0037358700000000, 0.0063444300000000, 0.0068711500000000 ] - [ -0.0001824700000000, 0.0000542100000000, -0.0000645300000000 ] - [ 0.0002323300000000, -0.0014369100000000, -0.0003889200000000 ] - [ -0.0001799800000000, -0.0005123000000000, 0.0000543700000000 ] - [ 0.0002705400000000, 0.0009571200000000, -0.0002757400000000 ] - [ -0.0001088600000000, 0.0000385600000000, 0.0000876200000000 ] - [ 0.0002293600000000, -0.0008508400000000, 0.0002786900000000 ] - [ -0.0001926100000000, -0.0005329700000000, 0.0001531600000000 ] - [ 0.0013919600000000, -0.0046458400000000, -0.0009830800000000 ] - [ -0.0003647300000000, -0.0004141900000000, -0.0005054800000000 ] - [ -0.0160962200000000, -0.0147300600000000, 0.0019983600000000 ] - [ -0.0000607900000000, 0.0004855500000000, -0.0002911600000000 ] - [ 0.0003188100000000, -0.0004236900000000, -0.0003996000000000 ] - [ -0.0002400100000000, -0.0002676200000000, -0.0003912900000000 ] - [ 0.0001051600000000, 0.0003339300000000, -0.0000331000000000 ] - [ -0.0000538500000000, 0.0002575700000000, -0.0003387800000000 ] - [ 0.0012824000000000, -0.0001511100000000, -0.0005521400000000 ] - [ 0.0000330900000000, -0.0004744200000000, -0.0006417700000000 ] - [ 0.0000473100000000, -0.0008234300000000, 0.0004539600000000 ] - [ 0.0015068900000000, -0.0007255500000000, -0.0003118400000000 ] - [ 0.0016368400000000, -0.0004716500000000, -0.0001766900000000 ] - [ -0.0003277800000000, -0.0001578500000000, 0.0003474400000000 ] - [ 0.0002474200000000, -0.0007240800000000, -0.0009867100000000 ] - [ 0.0017376000000000, -0.0008219900000000, -0.0010355300000000 ] - [ 0.0012037200000000, 0.0106111700000000, -0.0019155000000000 ] - [ -0.0017794700000000, 0.0014158700000000, -0.0005475200000000 ] - [ -0.0001748600000000, -0.0018468800000000, -0.0001928600000000 ] - [ -0.0011685900000000, -0.0000538100000000, -0.0003838700000000 ] - [ -0.0010164000000000, 0.0008288000000000, -0.0000839100000000 ] - [ -0.0012026900000000, 0.0009039400000000, -0.0003824900000000 ] - [ -0.0006742300000000, 0.0000116700000000, -0.0002302200000000 ] - [ -0.0011431200000000, 0.0001304900000000, -0.0003466000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013357000000000, -0.0009431500000000, 0.0039674500000000 ] - [ 0.0003970800000000, -0.0001712900000000, 0.0001856700000000 ] - [ -0.0000378700000000, 0.0000250700000000, 0.0003481100000000 ] - [ 0.0000177700000000, -0.0000507700000000, 0.0000131500000000 ] - [ 0.0000743800000000, -0.0001805800000000, -0.0012029100000000 ] - [ 0.0000076400000000, -0.0001626400000000, -0.0004079800000000 ] - [ 0.0000273000000000, -0.0000693300000000, -0.0005966900000000 ] - [ -0.0000019500000000, -0.0000849600000000, -0.0002619000000000 ] - [ -0.0018304200000000, -0.0005236600000000, -0.0047093700000000 ] - [ 0.0002156200000000, 0.0000998700000000, 0.0000153200000000 ] - [ 0.0001000200000000, 0.0002827500000000, 0.0000041000000000 ] - [ 0.0001064400000000, 0.0002612500000000, 0.0000358200000000 ] - [ -0.0017077100000000, -0.0001757400000000, 0.0144603700000000 ] - [ 0.0000796500000000, 0.0001281200000000, 0.0000970300000000 ] - [ -0.0002269900000000, 0.0001793000000000, 0.0001293600000000 ] - [ 0.0000540900000000, 0.0002027000000000, 0.0000791400000000 ] - [ 0.0001203300000000, 0.0029441100000000, 0.0043004200000000 ] - [ 0.0000439100000000, -0.0001957600000000, 0.0002208700000000 ] - [ -0.0002835200000000, 0.0001107400000000, 0.0009568200000000 ] - [ 0.0000973100000000, -0.0001396100000000, 0.0002358200000000 ] - [ -0.0000607700000000, -0.0000715500000000, -0.0009860200000000 ] - [ 0.0000537400000000, -0.0001689500000000, -0.0000701900000000 ] - [ -0.0000459600000000, -0.0002051200000000, -0.0005068300000000 ] - [ 0.0001014700000000, -0.0001386000000000, -0.0000685500000000 ] - [ 0.0002372200000000, -0.0006473700000000, -0.0004415500000000 ] - [ -0.0000589200000000, 0.0000303000000000, -0.0001585500000000 ] - [ -0.0001102100000000, 0.0023080500000000, -0.0011044100000000 ] - [ -0.0000513900000000, 0.0000641500000000, -0.0001735200000000 ] - [ -0.0007435900000000, 0.0013324800000000, -0.0004776600000000 ] - [ 0.0002541000000000, 0.0001828000000000, -0.0001057000000000 ] - [ -0.0011272200000000, -0.0014724200000000, -0.0004090100000000 ] - [ 0.0003111500000000, 0.0000995600000000, -0.0001014200000000 ] - [ 0.0001594600000000, -0.0004540400000000, 0.0008945300000000 ] - [ 0.0001750500000000, -0.0001987800000000, 0.0006146100000000 ] - [ 0.0001292000000000, 0.0002373000000000, 0.0003687500000000 ] - [ 0.0001304100000000, -0.0001860500000000, 0.0005183600000000 ] - [ -0.0001004600000000, -0.0001681300000000, -0.0003116300000000 ] - [ 0.0000830000000000, -0.0001302400000000, -0.0003900100000000 ] - [ -0.0000903300000000, -0.0001419800000000, -0.0002078500000000 ] - [ 0.0000332200000000, -0.0001940300000000, -0.0003603000000000 ] - [ 0.0019073100000000, -0.0009196600000000, -0.0008887100000000 ] - [ -0.0005004200000000, 0.0000831300000000, -0.0000880400000000 ] - [ -0.0000582900000000, 0.0003323000000000, 0.0000168200000000 ] - [ -0.0001473600000000, 0.0002449300000000, 0.0000341400000000 ] - [ -0.0018375400000000, 0.0000211400000000, -0.0001891800000000 ] - [ 0.0009884100000000, 0.0002044000000000, -0.0000452800000000 ] - [ -0.0000667300000000, 0.0002306600000000, 0.0001047700000000 ] - [ 0.0002358900000000, 0.0001336900000000, 0.0000996500000000 ] - [ 0.0028528500000000, 0.0035156500000000, 0.0016675700000000 ] - [ -0.0004215100000000, 0.0016092800000000, 0.0013763500000000 ] - [ 0.0010017000000000, -0.0023590300000000, 0.0013342600000000 ] - [ -0.0000518100000000, 0.0012730100000000, 0.0014300800000000 ] - [ -0.0022593500000000, 0.0000580900000000, -0.0000379900000000 ] - [ 0.0007110000000000, 0.0009030400000000, 0.0006004700000000 ] - [ -0.0008441200000000, 0.0035756900000000, -0.0002631300000000 ] - [ 0.0010639400000000, 0.0020355900000000, 0.0003265700000000 ] - [ -0.0515543900000000, -0.0307467300000000, 0.0658135100000000 ] - [ 0.0004569300000000, -0.0014713600000000, 0.0016773400000000 ] - [ -0.0002416800000000, -0.0010412000000000, 0.0016628400000000 ] - [ 0.0002898800000000, -0.0012392800000000, 0.0014554400000000 ] - [ -0.0002471400000000, -0.0014130000000000, -0.0047619900000000 ] - [ 0.0002704000000000, -0.0013592900000000, 0.0004239100000000 ] - [ -0.0001986300000000, -0.0012172000000000, 0.0003621900000000 ] - [ 0.0001628600000000, -0.0012710700000000, 0.0006013200000000 ] - [ 0.0017648000000000, -0.0019245900000000, 0.0009902400000000 ] - [ -0.0010201900000000, -0.0003906400000000, -0.0001949900000000 ] - [ 0.0004179000000000, 0.0006579900000000, -0.0004493100000000 ] - [ -0.0001522200000000, 0.0001986500000000, -0.0003778600000000 ] - [ -0.0019446800000000, 0.0025331600000000, 0.0010369900000000 ] - [ 0.0001192700000000, 0.0001048500000000, -0.0004880800000000 ] - [ -0.0004482900000000, -0.0010169200000000, -0.0002573000000000 ] - [ 0.0000766000000000, -0.0001633600000000, -0.0003881600000000 ] - [ -0.0006707000000000, -0.0006829700000000, -0.0008846300000000 ] - [ 0.0000516300000000, 0.0002232300000000, -0.0001971700000000 ] - [ -0.0005727600000000, 0.0013844100000000, -0.0009886300000000 ] - [ -0.0001143500000000, 0.0001897200000000, -0.0002735800000000 ] - [ 0.0003900400000000, 0.0004309900000000, 0.0012678600000000 ] - [ -0.0001207700000000, 0.0003232400000000, 0.0004188100000000 ] - [ 0.0000950800000000, -0.0001041900000000, 0.0012769300000000 ] - [ -0.0001495900000000, 0.0001404700000000, 0.0005329800000000 ] - [ 0.0682657700000000, 0.0358388000000000, -0.0835016700000000 ] - [ 0.0007735000000000, 0.0004952100000000, -0.0005195900000000 ] - [ 0.0012237800000000, 0.0004073900000000, -0.0007234600000000 ] - [ 0.0008702200000000, 0.0004036000000000, -0.0004736700000000 ] - [ 0.0008442500000000, 0.0003663900000000, 0.0019526000000000 ] - [ 0.0007930900000000, 0.0004433300000000, -0.0001314300000000 ] - [ 0.0009991600000000, 0.0004101500000000, -0.0000016700000000 ] - [ 0.0008549900000000, 0.0003833200000000, -0.0001960200000000 ] - [ 0.0008003300000000, 0.0019690600000000, 0.0010484100000000 ] - [ -0.0012865900000000, -0.0004222300000000, -0.0003624300000000 ] - [ -0.0004916400000000, -0.0013769000000000, -0.0001542800000000 ] - [ -0.0014406200000000, -0.0007230900000000, -0.0003890900000000 ] - [ -0.0029342900000000, -0.0033054000000000, 0.0010519400000000 ] - [ -0.0009133200000000, -0.0004760800000000, -0.0003666500000000 ] - [ -0.0007615600000000, 0.0004448800000000, -0.0001602500000000 ] - [ -0.0010881400000000, -0.0004833900000000, -0.0003949400000000 ] - [ -0.0173509600000000, -0.0100735800000000, 0.0127698700000000 ] - [ -0.0000147500000000, -0.0001754100000000, -0.0003529100000000 ] - [ -0.0000134300000000, -0.0002779300000000, -0.0004140700000000 ] - [ -0.0000173100000000, -0.0002676600000000, -0.0002057900000000 ] - [ 0.0015650100000000, 0.0006919800000000, 0.0051348600000000 ] - [ -0.0002905000000000, -0.0002379100000000, 0.0004353700000000 ] - [ 0.0002086500000000, -0.0003971900000000, 0.0004858000000000 ] - [ -0.0001641300000000, -0.0002799300000000, 0.0003271200000000 ] - [ 0.0001891100000000, -0.0003969300000000, -0.0012387900000000 ] - [ -0.0001586800000000, -0.0000798500000000, -0.0006015900000000 ] - [ 0.0019427800000000, 0.0004673500000000, -0.0095789100000000 ] - [ -0.0002040000000000, 0.0000192100000000, -0.0006325800000000 ] - [ 0.0000731100000000, 0.0000291600000000, 0.0000883100000000 ] - [ -0.0000435300000000, 0.0000190200000000, -0.0001684300000000 ] - [ 0.0000843000000000, 0.0006334100000000, 0.0017453500000000 ] - [ -0.0000742300000000, 0.0000949500000000, -0.0001118200000000 ] - [ 0.0002326300000000, 0.0002395400000000, -0.0001953000000000 ] - [ 0.0017162200000000, -0.0002827300000000, -0.0003497000000000 ] - [ 0.0003018700000000, -0.0011392700000000, -0.0002037600000000 ] - [ 0.0016069200000000, -0.0010934600000000, -0.0004599200000000 ] - [ 0.0016490200000000, -0.0007520300000000, -0.0003551900000000 ] - [ -0.0000325700000000, -0.0006631600000000, -0.0001982700000000 ] - [ 0.0011724500000000, -0.0004193600000000, -0.0004639500000000 ] - [ 0.0002735100000000, 0.0003443600000000, -0.0002129100000000 ] - [ 0.0006047600000000, 0.0020207300000000, -0.0095147300000000 ] - [ -0.0015204400000000, 0.0006528200000000, -0.0010198500000000 ] - [ -0.0008576900000000, 0.0002982700000000, -0.0005162400000000 ] - [ -0.0012339000000000, 0.0004872000000000, -0.0006623000000000 ] - [ -0.0003663300000000, 0.0001881800000000, 0.0017924300000000 ] - [ -0.0010563200000000, 0.0004900300000000, 0.0000722900000000 ] - [ -0.0008235200000000, 0.0003354700000000, -0.0001114700000000 ] - [ -0.0010089500000000, 0.0004490400000000, -0.0000914100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013394300000000, 0.0007408900000000, -0.0042013700000000 ] - [ -0.0003834200000000, -0.0000115400000000, -0.0004547000000000 ] - [ 0.0000341600000000, -0.0002028600000000, -0.0006139900000000 ] - [ -0.0000178100000000, -0.0001281400000000, -0.0002790300000000 ] - [ -0.0000732100000000, -0.0000048600000000, 0.0009352000000000 ] - [ -0.0000121200000000, -0.0000209300000000, 0.0001445400000000 ] - [ -0.0000290800000000, -0.0001097200000000, 0.0003303700000000 ] - [ 0.0000000100000000, -0.0000953100000000, -0.0000035700000000 ] - [ 0.0018626200000000, 0.0008731400000000, 0.0048631800000000 ] - [ -0.0001907400000000, 0.0002450200000000, 0.0001150300000000 ] - [ -0.0000786100000000, 0.0000642500000000, 0.0001264300000000 ] - [ -0.0000831000000000, 0.0000838400000000, 0.0000949100000000 ] - [ 0.0015203800000000, 0.0004722100000000, -0.0133206800000000 ] - [ -0.0000518700000000, 0.0002146000000000, 0.0000362300000000 ] - [ 0.0002484500000000, 0.0001679100000000, 0.0000049700000000 ] - [ -0.0000295400000000, 0.0001434700000000, 0.0000525900000000 ] - [ -0.0001541700000000, -0.0032762600000000, -0.0041131700000000 ] - [ -0.0000658800000000, -0.0001524300000000, -0.0000812900000000 ] - [ 0.0002465400000000, -0.0004494900000000, -0.0008201900000000 ] - [ -0.0001172600000000, -0.0002064800000000, -0.0000969100000000 ] - [ 0.0000367900000000, -0.0002731400000000, 0.0011252100000000 ] - [ -0.0000767200000000, -0.0001785100000000, 0.0002112400000000 ] - [ 0.0000228000000000, -0.0001455100000000, 0.0006483000000000 ] - [ -0.0001238800000000, -0.0002082400000000, 0.0002104300000000 ] - [ -0.0002410900000000, 0.0008353500000000, 0.0001746000000000 ] - [ 0.0000584800000000, 0.0001600800000000, -0.0001051300000000 ] - [ 0.0001075000000000, -0.0021176500000000, 0.0008340600000000 ] - [ 0.0000509900000000, 0.0001276800000000, -0.0000892300000000 ] - [ 0.0007356500000000, -0.0011399300000000, 0.0002144100000000 ] - [ -0.0002533200000000, 0.0000083900000000, -0.0001568300000000 ] - [ 0.0011153000000000, 0.0016508300000000, 0.0001609200000000 ] - [ -0.0003106200000000, 0.0000878900000000, -0.0001617000000000 ] - [ -0.0001333300000000, 0.0000924500000000, -0.0007675900000000 ] - [ -0.0001488800000000, -0.0001464500000000, -0.0004822700000000 ] - [ -0.0000955800000000, -0.0005742000000000, -0.0002430000000000 ] - [ -0.0001069300000000, -0.0001604400000000, -0.0003877000000000 ] - [ 0.0001210400000000, -0.0001770200000000, 0.0004447800000000 ] - [ -0.0000577100000000, -0.0002177500000000, 0.0005208100000000 ] - [ 0.0001106500000000, -0.0002059500000000, 0.0003419100000000 ] - [ -0.0000079000000000, -0.0001537100000000, 0.0004914300000000 ] - [ -0.0019349700000000, 0.0012684800000000, 0.0010202100000000 ] - [ 0.0004792400000000, 0.0002623800000000, 0.0002285700000000 ] - [ 0.0000347500000000, 0.0000138400000000, 0.0001220900000000 ] - [ 0.0001248300000000, 0.0000993700000000, 0.0001069200000000 ] - [ 0.0017980300000000, 0.0003205600000000, 0.0003448200000000 ] - [ -0.0010050300000000, 0.0001386600000000, 0.0001852600000000 ] - [ 0.0000424900000000, 0.0001175900000000, 0.0000381800000000 ] - [ -0.0002589100000000, 0.0002117300000000, 0.0000412500000000 ] - [ -0.0028444900000000, -0.0008717300000000, 0.0003823200000000 ] - [ 0.0004264200000000, 0.0010187400000000, 0.0006800200000000 ] - [ -0.0010002000000000, 0.0049652300000000, 0.0007270700000000 ] - [ 0.0000558400000000, 0.0013572800000000, 0.0006303600000000 ] - [ 0.0022623000000000, 0.0025786900000000, 0.0020811500000000 ] - [ -0.0007070400000000, 0.0017244900000000, 0.0014399800000000 ] - [ 0.0008413900000000, -0.0009556700000000, 0.0023094500000000 ] - [ -0.0010621300000000, 0.0005925000000000, 0.0017172400000000 ] - [ 0.0521915700000000, 0.0284783800000000, -0.0633755800000000 ] - [ -0.0004497200000000, -0.0011598900000000, 0.0003693000000000 ] - [ 0.0002360800000000, -0.0015897400000000, 0.0003802600000000 ] - [ -0.0002839600000000, -0.0013925500000000, 0.0005889600000000 ] - [ 0.0002437000000000, -0.0012218600000000, 0.0067964300000000 ] - [ -0.0002644700000000, -0.0012753700000000, 0.0016236000000000 ] - [ 0.0001948800000000, -0.0014153100000000, 0.0016877800000000 ] - [ -0.0001581000000000, -0.0013593600000000, 0.0014431400000000 ] - [ -0.0017710700000000, 0.0019277200000000, -0.0017484900000000 ] - [ 0.0010209200000000, 0.0003725600000000, -0.0005518800000000 ] - [ -0.0004180700000000, -0.0006676800000000, -0.0003063200000000 ] - [ 0.0001502200000000, -0.0002034800000000, -0.0003769500000000 ] - [ 0.0019330800000000, -0.0025221200000000, -0.0017878800000000 ] - [ -0.0001210100000000, -0.0001193200000000, -0.0002711100000000 ] - [ 0.0004478400000000, 0.0009917100000000, -0.0004947500000000 ] - [ -0.0000785700000000, 0.0001576300000000, -0.0003717700000000 ] - [ 0.0006699100000000, 0.0011638200000000, 0.0009968400000000 ] - [ -0.0000557500000000, 0.0002689700000000, 0.0003328500000000 ] - [ 0.0005797000000000, -0.0008947100000000, 0.0011040000000000 ] - [ 0.0001059200000000, 0.0002952000000000, 0.0003852400000000 ] - [ -0.0003906400000000, 0.0000549800000000, -0.0011293600000000 ] - [ 0.0001197600000000, 0.0001662400000000, -0.0002840200000000 ] - [ -0.0000942000000000, 0.0005953800000000, -0.0011389000000000 ] - [ 0.0001492400000000, 0.0003485200000000, -0.0004111900000000 ] - [ -0.0668472400000000, -0.0352962200000000, 0.0814588500000000 ] - [ 0.0012174100000000, 0.0004349200000000, -0.0001951700000000 ] - [ 0.0007790000000000, 0.0005197700000000, 0.0000085600000000 ] - [ 0.0011272000000000, 0.0005279300000000, -0.0002410200000000 ] - [ 0.0011589400000000, 0.0005687200000000, -0.0026638100000000 ] - [ 0.0011996000000000, 0.0004874100000000, -0.0005800000000000 ] - [ 0.0009981800000000, 0.0005197600000000, -0.0007105900000000 ] - [ 0.0011406900000000, 0.0005467300000000, -0.0005164000000000 ] - [ -0.0028009500000000, -0.0029105800000000, -0.0017614600000000 ] - [ -0.0007143700000000, -0.0005085100000000, -0.0003485200000000 ] - [ -0.0015068100000000, 0.0004457700000000, -0.0005553600000000 ] - [ -0.0005527000000000, -0.0002058100000000, -0.0003208300000000 ] - [ 0.0009371500000000, 0.0023620500000000, -0.0017564900000000 ] - [ -0.0010836800000000, -0.0004536000000000, -0.0003487000000000 ] - [ -0.0012348900000000, -0.0013730400000000, -0.0005564600000000 ] - [ -0.0009165700000000, -0.0004517900000000, -0.0003206600000000 ] - [ 0.0176666600000000, 0.0097588900000000, -0.0129169800000000 ] - [ 0.0000133400000000, -0.0003140300000000, 0.0004838600000000 ] - [ 0.0000155600000000, -0.0002121900000000, 0.0005476000000000 ] - [ 0.0000156600000000, -0.0002228600000000, 0.0003378200000000 ] - [ -0.0015508300000000, -0.0011725700000000, -0.0049774900000000 ] - [ 0.0002877300000000, -0.0002492100000000, -0.0003097700000000 ] - [ -0.0002065000000000, -0.0000925500000000, -0.0003579500000000 ] - [ 0.0001620200000000, -0.0002113200000000, -0.0002001000000000 ] - [ -0.0001856800000000, 0.0004062500000000, 0.0004801800000000 ] - [ 0.0001552800000000, 0.0000890000000000, -0.0001542200000000 ] - [ -0.0020004900000000, -0.0005171600000000, 0.0088431700000000 ] - [ 0.0002020700000000, -0.0000055200000000, -0.0001221300000000 ] - [ -0.0000709600000000, -0.0000238900000000, -0.0008430800000000 ] - [ 0.0000412100000000, -0.0000064200000000, -0.0005832800000000 ] - [ -0.0000843400000000, -0.0006173600000000, -0.0024959300000000 ] - [ 0.0000727200000000, -0.0000827600000000, -0.0006414600000000 ] - [ 0.0017703200000000, -0.0011725300000000, -0.0005135400000000 ] - [ 0.0002796700000000, -0.0006503300000000, -0.0003626500000000 ] - [ 0.0016900600000000, 0.0002117000000000, -0.0005016100000000 ] - [ 0.0003952400000000, 0.0001609800000000, -0.0002543700000000 ] - [ 0.0003562800000000, -0.0001827300000000, -0.0003665600000000 ] - [ 0.0020162200000000, -0.0002652200000000, -0.0005109500000000 ] - [ 0.0008216400000000, -0.0005113600000000, -0.0002529600000000 ] - [ 0.0017291000000000, -0.0012765800000000, -0.0005038400000000 ] - [ -0.0026881800000000, -0.0011085200000000, 0.0088158900000000 ] - [ -0.0004851300000000, 0.0002825700000000, 0.0003007500000000 ] - [ -0.0011399500000000, 0.0006280500000000, -0.0001974700000000 ] - [ -0.0007620900000000, 0.0004402200000000, -0.0000511000000000 ] - [ -0.0016254400000000, 0.0007396900000000, -0.0025014100000000 ] - [ -0.0009379100000000, 0.0004402700000000, -0.0007822700000000 ] - [ -0.0011668500000000, 0.0005923500000000, -0.0005992100000000 ] - [ -0.0009863600000000, 0.0004782500000000, -0.0006191500000000 ]