# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8c17e25f-0217-400a-891d-0b03c8acb135/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 Li3PO4 / Pnma (62) / materials id 2878](https://mdr.nims.go.jp/datasets/4f4afd33-a997-4327-8152-34021afc785d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 10.460997050000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.095202490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.909565980000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.163882510000000, 0.498255940000000, 0.697228300000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.336117490000000, 0.501744060000000, 0.197228300000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.836117490000000, 0.998255940000000, 0.302771700000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.663882510000000, 0.001744060000000, 0.802771700000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.836117490000000, 0.501744060000000, 0.302771700000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.663882510000000, 0.498255940000000, 0.802771700000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.163882510000000, 0.001744060000000, 0.697228300000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.336117490000000, 0.998255940000000, 0.197228300000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.423937640000000, 0.250000000000000, 0.796881040000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.076062360000000, 0.750000000000000, 0.296881040000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.576062360000000, 0.750000000000000, 0.203118960000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.923937640000000, 0.250000000000000, 0.703118960000000 ] mass: 6.941000 - symbol: O # 13 coordinates: [ 0.589012530000000, 0.250000000000000, 0.624498740000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.341072390000000, 0.958025200000000, 0.795569830000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.910987470000000, 0.750000000000000, 0.124498740000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.410987470000000, 0.750000000000000, 0.375501260000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.341072390000000, 0.541974800000000, 0.795569830000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.158927610000000, 0.041974800000000, 0.295569830000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.658927610000000, 0.458025200000000, 0.204430170000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.841072390000000, 0.541974800000000, 0.704430170000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.658927610000000, 0.041974800000000, 0.204430170000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.841072390000000, 0.958025200000000, 0.704430170000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.551324730000000, 0.750000000000000, 0.796537510000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.158927610000000, 0.458025200000000, 0.295569830000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.051324730000000, 0.750000000000000, 0.703462490000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.448675270000000, 0.250000000000000, 0.203462490000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.948675270000000, 0.250000000000000, 0.296537510000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.089012530000000, 0.250000000000000, 0.875501260000000 ] mass: 15.999400 - symbol: P # 29 coordinates: [ 0.411716670000000, 0.750000000000000, 0.691979660000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.911716670000000, 0.750000000000000, 0.808020340000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.588283330000000, 0.250000000000000, 0.308020340000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.088283330000000, 0.250000000000000, 0.191979660000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.095593182487323, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.164063458374129, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.203683992449369 ] # c*unit_cell: lattice: - [ 10.460997050000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.095202490000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.909565980000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.163882510000000, 0.498255940000000, 0.697228300000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.336117490000000, 0.501744060000000, 0.197228300000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.836117490000000, 0.998255940000000, 0.302771700000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.663882510000000, 0.001744060000000, 0.802771700000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.836117490000000, 0.501744060000000, 0.302771700000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.663882510000000, 0.498255940000000, 0.802771700000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.163882510000000, 0.001744060000000, 0.697228300000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.336117490000000, 0.998255940000000, 0.197228300000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.423937640000000, 0.250000000000000, 0.796881040000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.076062360000000, 0.750000000000000, 0.296881040000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.576062360000000, 0.750000000000000, 0.203118960000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.923937640000000, 0.250000000000000, 0.703118960000000 ] mass: 6.941000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.589012530000000, 0.250000000000000, 0.624498740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.341072390000000, 0.958025200000000, 0.795569830000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.910987470000000, 0.750000000000000, 0.124498740000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.410987470000000, 0.750000000000000, 0.375501260000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.341072390000000, 0.541974800000000, 0.795569830000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.158927610000000, 0.041974800000000, 0.295569830000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.658927610000000, 0.458025200000000, 0.204430170000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.841072390000000, 0.541974800000000, 0.704430170000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.658927610000000, 0.041974800000000, 0.204430170000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.841072390000000, 0.958025200000000, 0.704430170000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.551324730000000, 0.750000000000000, 0.796537510000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.158927610000000, 0.458025200000000, 0.295569830000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.051324730000000, 0.750000000000000, 0.703462490000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.448675270000000, 0.250000000000000, 0.203462490000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.948675270000000, 0.250000000000000, 0.296537510000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.089012530000000, 0.250000000000000, 0.875501260000000 ] mass: 15.999400 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.411716670000000, 0.750000000000000, 0.691979660000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.911716670000000, 0.750000000000000, 0.808020340000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.588283330000000, 0.250000000000000, 0.308020340000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.088283330000000, 0.250000000000000, 0.191979660000000 ] mass: 30.973762 reduced_to: 32supercell: lattice: - [ 10.460997050000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.190404980000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.819131960000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.163882510000000, 0.249127970000000, 0.348614150000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.163882510000000, 0.749127970000000, 0.348614150000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.163882510000000, 0.249127970000000, 0.848614150000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.163882510000000, 0.749127970000000, 0.848614150000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.336117490000000, 0.250872030000000, 0.098614150000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.336117490000000, 0.750872030000000, 0.098614150000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.336117490000000, 0.250872030000000, 0.598614150000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.336117490000000, 0.750872030000000, 0.598614150000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 9 coordinates: [ 0.836117490000000, 0.499127970000000, 0.151385850000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.836117490000000, 0.999127970000000, 0.151385850000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.836117490000000, 0.499127970000000, 0.651385850000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.836117490000000, 0.999127970000000, 0.651385850000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.663882510000000, 0.000872030000000, 0.401385850000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.663882510000000, 0.500872030000000, 0.401385850000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.663882510000000, 0.000872030000000, 0.901385850000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.663882510000000, 0.500872030000000, 0.901385850000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.836117490000000, 0.250872030000000, 0.151385850000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.836117490000000, 0.750872030000000, 0.151385850000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.836117490000000, 0.250872030000000, 0.651385850000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.836117490000000, 0.750872030000000, 0.651385850000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.663882510000000, 0.249127970000000, 0.401385850000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.663882510000000, 0.749127970000000, 0.401385850000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.663882510000000, 0.249127970000000, 0.901385850000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 24 coordinates: [ 0.663882510000000, 0.749127970000000, 0.901385850000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 25 coordinates: [ 0.163882510000000, 0.000872030000000, 0.348614150000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.163882510000000, 0.500872030000000, 0.348614150000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.163882510000000, 0.000872030000000, 0.848614150000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.163882510000000, 0.500872030000000, 0.848614150000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.336117490000000, 0.499127970000000, 0.098614150000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.336117490000000, 0.999127970000000, 0.098614150000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.336117490000000, 0.499127970000000, 0.598614150000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 32 coordinates: [ 0.336117490000000, 0.999127970000000, 0.598614150000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 33 coordinates: [ 0.423937640000000, 0.125000000000000, 0.398440520000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.423937640000000, 0.625000000000000, 0.398440520000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 35 coordinates: [ 0.423937640000000, 0.125000000000000, 0.898440520000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 36 coordinates: [ 0.423937640000000, 0.625000000000000, 0.898440520000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 37 coordinates: [ 0.076062360000000, 0.375000000000000, 0.148440520000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.076062360000000, 0.875000000000000, 0.148440520000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 39 coordinates: [ 0.076062360000000, 0.375000000000000, 0.648440520000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 40 coordinates: [ 0.076062360000000, 0.875000000000000, 0.648440520000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 41 coordinates: [ 0.576062360000000, 0.375000000000000, 0.101559480000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 42 coordinates: [ 0.576062360000000, 0.875000000000000, 0.101559480000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 43 coordinates: [ 0.576062360000000, 0.375000000000000, 0.601559480000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 44 coordinates: [ 0.576062360000000, 0.875000000000000, 0.601559480000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 45 coordinates: [ 0.923937640000000, 0.125000000000000, 0.351559480000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 46 coordinates: [ 0.923937640000000, 0.625000000000000, 0.351559480000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 47 coordinates: [ 0.923937640000000, 0.125000000000000, 0.851559480000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 48 coordinates: [ 0.923937640000000, 0.625000000000000, 0.851559480000000 ] mass: 6.941000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.589012530000000, 0.125000000000000, 0.312249370000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.589012530000000, 0.625000000000000, 0.312249370000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.589012530000000, 0.125000000000000, 0.812249370000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.589012530000000, 0.625000000000000, 0.812249370000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.341072390000000, 0.479012600000000, 0.397784915000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.341072390000000, 0.979012600000000, 0.397784915000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.341072390000000, 0.479012600000000, 0.897784915000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.341072390000000, 0.979012600000000, 0.897784915000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.910987470000000, 0.375000000000000, 0.062249370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.910987470000000, 0.875000000000000, 0.062249370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.910987470000000, 0.375000000000000, 0.562249370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.910987470000000, 0.875000000000000, 0.562249370000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.410987470000000, 0.375000000000000, 0.187750630000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.410987470000000, 0.875000000000000, 0.187750630000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.410987470000000, 0.375000000000000, 0.687750630000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.410987470000000, 0.875000000000000, 0.687750630000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.341072390000000, 0.270987400000000, 0.397784915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.341072390000000, 0.770987400000000, 0.397784915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.341072390000000, 0.270987400000000, 0.897784915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.341072390000000, 0.770987400000000, 0.897784915000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.158927610000000, 0.020987400000000, 0.147784915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.158927610000000, 0.520987400000000, 0.147784915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.158927610000000, 0.020987400000000, 0.647784915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.158927610000000, 0.520987400000000, 0.647784915000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.658927610000000, 0.229012600000000, 0.102215085000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.658927610000000, 0.729012600000000, 0.102215085000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.658927610000000, 0.229012600000000, 0.602215085000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.658927610000000, 0.729012600000000, 0.602215085000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.841072390000000, 0.270987400000000, 0.352215085000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.841072390000000, 0.770987400000000, 0.352215085000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.841072390000000, 0.270987400000000, 0.852215085000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.841072390000000, 0.770987400000000, 0.852215085000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.658927610000000, 0.020987400000000, 0.102215085000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.658927610000000, 0.520987400000000, 0.102215085000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.658927610000000, 0.020987400000000, 0.602215085000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.658927610000000, 0.520987400000000, 0.602215085000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.841072390000000, 0.479012600000000, 0.352215085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.841072390000000, 0.979012600000000, 0.352215085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.841072390000000, 0.479012600000000, 0.852215085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.841072390000000, 0.979012600000000, 0.852215085000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.551324730000000, 0.375000000000000, 0.398268755000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.551324730000000, 0.875000000000000, 0.398268755000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.551324730000000, 0.375000000000000, 0.898268755000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.551324730000000, 0.875000000000000, 0.898268755000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.158927610000000, 0.229012600000000, 0.147784915000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.158927610000000, 0.729012600000000, 0.147784915000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.158927610000000, 0.229012600000000, 0.647784915000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.158927610000000, 0.729012600000000, 0.647784915000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.051324730000000, 0.375000000000000, 0.351731245000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.051324730000000, 0.875000000000000, 0.351731245000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.051324730000000, 0.375000000000000, 0.851731245000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.051324730000000, 0.875000000000000, 0.851731245000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.448675270000000, 0.125000000000000, 0.101731245000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.448675270000000, 0.625000000000000, 0.101731245000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.448675270000000, 0.125000000000000, 0.601731245000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.448675270000000, 0.625000000000000, 0.601731245000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.948675270000000, 0.125000000000000, 0.148268755000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.948675270000000, 0.625000000000000, 0.148268755000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.948675270000000, 0.125000000000000, 0.648268755000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.948675270000000, 0.625000000000000, 0.648268755000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.089012530000000, 0.125000000000000, 0.437750630000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.089012530000000, 0.625000000000000, 0.437750630000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.089012530000000, 0.125000000000000, 0.937750630000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.089012530000000, 0.625000000000000, 0.937750630000000 ] mass: 15.999400 reduced_to: 109 - symbol: P # 113 coordinates: [ 0.411716670000000, 0.375000000000000, 0.345989830000000 ] mass: 30.973762 reduced_to: 113 - symbol: P # 114 coordinates: [ 0.411716670000000, 0.875000000000000, 0.345989830000000 ] mass: 30.973762 reduced_to: 113 - symbol: P # 115 coordinates: [ 0.411716670000000, 0.375000000000000, 0.845989830000000 ] mass: 30.973762 reduced_to: 113 - symbol: P # 116 coordinates: [ 0.411716670000000, 0.875000000000000, 0.845989830000000 ] mass: 30.973762 reduced_to: 113 - symbol: P # 117 coordinates: [ 0.911716670000000, 0.375000000000000, 0.404010170000000 ] mass: 30.973762 reduced_to: 117 - symbol: P # 118 coordinates: [ 0.911716670000000, 0.875000000000000, 0.404010170000000 ] mass: 30.973762 reduced_to: 117 - symbol: P # 119 coordinates: [ 0.911716670000000, 0.375000000000000, 0.904010170000000 ] mass: 30.973762 reduced_to: 117 - symbol: P # 120 coordinates: [ 0.911716670000000, 0.875000000000000, 0.904010170000000 ] mass: 30.973762 reduced_to: 117 - symbol: P # 121 coordinates: [ 0.588283330000000, 0.125000000000000, 0.154010170000000 ] mass: 30.973762 reduced_to: 121 - symbol: P # 122 coordinates: [ 0.588283330000000, 0.625000000000000, 0.154010170000000 ] mass: 30.973762 reduced_to: 121 - symbol: P # 123 coordinates: [ 0.588283330000000, 0.125000000000000, 0.654010170000000 ] mass: 30.973762 reduced_to: 121 - symbol: P # 124 coordinates: [ 0.588283330000000, 0.625000000000000, 0.654010170000000 ] mass: 30.973762 reduced_to: 121 - symbol: P # 125 coordinates: [ 0.088283330000000, 0.125000000000000, 0.095989830000000 ] mass: 30.973762 reduced_to: 125 - symbol: P # 126 coordinates: [ 0.088283330000000, 0.625000000000000, 0.095989830000000 ] mass: 30.973762 reduced_to: 125 - symbol: P # 127 coordinates: [ 0.088283330000000, 0.125000000000000, 0.595989830000000 ] mass: 30.973762 reduced_to: 125 - symbol: P # 128 coordinates: [ 0.088283330000000, 0.625000000000000, 0.595989830000000 ] mass: 30.973762 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0577680300000000, -0.0031602200000000, -0.0016910300000000 ] - [ -0.0004759800000000, -0.0000362800000000, -0.0001764600000000 ] - [ -0.0005175900000000, -0.0002228500000000, -0.0003311700000000 ] - [ -0.0002459700000000, -0.0000458600000000, -0.0002486600000000 ] - [ 0.0001254100000000, -0.0004589700000000, -0.0039379000000000 ] - [ -0.0001722800000000, 0.0001366900000000, -0.0002949100000000 ] - [ 0.0001250400000000, -0.0004918000000000, 0.0038680700000000 ] - [ -0.0001733900000000, 0.0001628400000000, -0.0000855000000000 ] - [ 0.0006364100000000, -0.0005159400000000, 0.0007704000000000 ] - [ 0.0006373600000000, 0.0002615400000000, 0.0003367200000000 ] - [ 0.0005628000000000, -0.0006251200000000, -0.0001829500000000 ] - [ 0.0005645200000000, 0.0001467300000000, 0.0001184500000000 ] - [ 0.0005033400000000, -0.0000603400000000, 0.0002511500000000 ] - [ 0.0013431300000000, 0.0004334700000000, 0.0002049100000000 ] - [ 0.0002079800000000, -0.0000244400000000, 0.0001529400000000 ] - [ 0.0003470400000000, 0.0001191700000000, 0.0001343200000000 ] - [ 0.0013523900000000, 0.0002044100000000, 0.0013220300000000 ] - [ 0.0003019800000000, 0.0000900900000000, 0.0002820600000000 ] - [ 0.0009014500000000, 0.0003665300000000, -0.0004004400000000 ] - [ 0.0002911300000000, 0.0001027800000000, 0.0001656800000000 ] - [ 0.0021002300000000, -0.0002824400000000, 0.0001452300000000 ] - [ 0.0002768200000000, -0.0000442000000000, 0.0002376600000000 ] - [ 0.0004302800000000, -0.0000670900000000, 0.0001353900000000 ] - [ 0.0001190700000000, -0.0000262000000000, 0.0001727500000000 ] - [ -0.0018730900000000, 0.0001053800000000, 0.0002746600000000 ] - [ -0.0031261700000000, -0.0002261500000000, -0.0002400300000000 ] - [ -0.0003059100000000, 0.0002001200000000, -0.0004454000000000 ] - [ -0.0004913300000000, 0.0000628500000000, -0.0002575300000000 ] - [ -0.0005859000000000, 0.0008064000000000, -0.0009081500000000 ] - [ -0.0003319600000000, -0.0004454200000000, -0.0005381800000000 ] - [ -0.0003299300000000, 0.0006467600000000, 0.0007502400000000 ] - [ -0.0005850100000000, -0.0004025200000000, 0.0001749300000000 ] - [ 0.0031919700000000, -0.0033780800000000, 0.0009466200000000 ] - [ 0.0003212700000000, 0.0008809600000000, 0.0001667900000000 ] - [ -0.0001200900000000, -0.0001781300000000, -0.0000622400000000 ] - [ 0.0000237700000000, 0.0001752000000000, 0.0000307100000000 ] - [ -0.0015517900000000, -0.0018668200000000, 0.0034132700000000 ] - [ -0.0001965800000000, 0.0001283600000000, 0.0001738000000000 ] - [ -0.0009775400000000, -0.0004354900000000, -0.0010993000000000 ] - [ -0.0000807200000000, 0.0003127800000000, 0.0000059300000000 ] - [ 0.0010914500000000, 0.0000325200000000, -0.0006910300000000 ] - [ 0.0000752600000000, -0.0000636300000000, -0.0001425100000000 ] - [ 0.0009106900000000, 0.0001791600000000, 0.0006458500000000 ] - [ 0.0000786000000000, -0.0000657900000000, -0.0000137400000000 ] - [ 0.0039670900000000, 0.0036624900000000, -0.0001797100000000 ] - [ 0.0000739300000000, -0.0006961900000000, -0.0000308100000000 ] - [ 0.0002044000000000, 0.0000735600000000, -0.0001940500000000 ] - [ 0.0000688100000000, -0.0000930300000000, -0.0001260500000000 ] - [ -0.0014144000000000, 0.0005473200000000, 0.0003929600000000 ] - [ -0.0004839500000000, -0.0003152900000000, 0.0000546500000000 ] - [ -0.0004180700000000, 0.0000351400000000, -0.0003551500000000 ] - [ -0.0001369300000000, -0.0000667300000000, -0.0001485600000000 ] - [ 0.0003995500000000, -0.0055021500000000, -0.0002388400000000 ] - [ 0.0002408700000000, 0.0012504400000000, 0.0000673300000000 ] - [ 0.0005367400000000, -0.0004869200000000, 0.0000732900000000 ] - [ 0.0004988100000000, -0.0000943400000000, 0.0002315200000000 ] - [ -0.0004574900000000, 0.0002372200000000, -0.0013147900000000 ] - [ -0.0002429400000000, -0.0001656600000000, -0.0001953200000000 ] - [ -0.0020039900000000, 0.0006571500000000, 0.0025026100000000 ] - [ -0.0003061600000000, -0.0002453900000000, -0.0000033600000000 ] - [ -0.0023150900000000, -0.0027838500000000, 0.0037501800000000 ] - [ -0.0001060900000000, 0.0001904100000000, 0.0003238800000000 ] - [ -0.0002245000000000, -0.0002926400000000, -0.0013581900000000 ] - [ 0.0000260000000000, 0.0000460900000000, -0.0000177000000000 ] - [ 0.0191629300000000, 0.0000135700000000, 0.0047826200000000 ] - [ 0.0003563500000000, 0.0003475000000000, 0.0000964700000000 ] - [ 0.0006788500000000, 0.0004356100000000, 0.0001971100000000 ] - [ 0.0003450500000000, 0.0001122200000000, 0.0001325600000000 ] - [ 0.0011559500000000, -0.0002515900000000, 0.0002884800000000 ] - [ 0.0010352500000000, 0.0003471200000000, -0.0001467400000000 ] - [ 0.0011586300000000, -0.0011371800000000, 0.0023309800000000 ] - [ 0.0006828400000000, 0.0000885900000000, 0.0002735100000000 ] - [ -0.0014001700000000, -0.0003165000000000, 0.0000425000000000 ] - [ -0.0005516800000000, -0.0003830300000000, 0.0000026500000000 ] - [ -0.0014487700000000, -0.0002453800000000, -0.0001727200000000 ] - [ -0.0005396700000000, -0.0002978600000000, -0.0000918100000000 ] - [ -0.0040146200000000, 0.0003003700000000, 0.0000295800000000 ] - [ -0.0001234700000000, -0.0000816500000000, -0.0001972000000000 ] - [ -0.0002379600000000, 0.0000499600000000, -0.0001691300000000 ] - [ -0.0000483700000000, 0.0000051700000000, -0.0001574700000000 ] - [ -0.0010073400000000, 0.0006272500000000, 0.0001500900000000 ] - [ -0.0009211800000000, 0.0000196000000000, -0.0000334000000000 ] - [ -0.0009782600000000, 0.0004827900000000, -0.0000588800000000 ] - [ -0.0009610500000000, 0.0000649100000000, -0.0002253400000000 ] - [ -0.0027557000000000, 0.0021006200000000, -0.0004779100000000 ] - [ -0.0003543000000000, -0.0007744300000000, -0.0001037000000000 ] - [ -0.0001886600000000, 0.0002353800000000, -0.0002552900000000 ] - [ -0.0001179400000000, -0.0003013800000000, -0.0000796800000000 ] - [ -0.0055661800000000, -0.0021562500000000, -0.0007221500000000 ] - [ -0.0005687400000000, 0.0001654000000000, -0.0002915100000000 ] - [ -0.0006586800000000, -0.0000097500000000, -0.0002971900000000 ] - [ -0.0002023600000000, 0.0000273200000000, -0.0002286200000000 ] - [ 0.0066131400000000, 0.0002545300000000, -0.0001216800000000 ] - [ 0.0001756400000000, -0.0000464600000000, 0.0001668800000000 ] - [ 0.0025855100000000, 0.0011616500000000, 0.0012933600000000 ] - [ 0.0001696800000000, -0.0000664300000000, 0.0002723100000000 ] - [ 0.0085429400000000, -0.0059104300000000, 0.0005149200000000 ] - [ -0.0001346900000000, -0.0004258400000000, 0.0001567800000000 ] - [ 0.0001316000000000, 0.0001095300000000, 0.0002608000000000 ] - [ -0.0002665700000000, -0.0001477400000000, 0.0003816200000000 ] - [ -0.0009609600000000, 0.0006679500000000, 0.0010600500000000 ] - [ -0.0001092400000000, -0.0004311200000000, 0.0004646600000000 ] - [ -0.0011724000000000, 0.0009362900000000, -0.0010855000000000 ] - [ -0.0002806600000000, -0.0003788400000000, -0.0001421500000000 ] - [ 0.0008747200000000, -0.0009180200000000, -0.0024636800000000 ] - [ 0.0005358300000000, 0.0002619000000000, -0.0005895700000000 ] - [ -0.0002424300000000, -0.0002196500000000, 0.0010993400000000 ] - [ 0.0004332200000000, 0.0002187000000000, -0.0001225000000000 ] - [ 0.0088230300000000, 0.0062494600000000, -0.0020278900000000 ] - [ 0.0007695000000000, 0.0005121900000000, 0.0004088100000000 ] - [ 0.0005808300000000, 0.0002765600000000, 0.0000632100000000 ] - [ 0.0003316000000000, 0.0000049900000000, 0.0000432300000000 ] - [ 0.0130558800000000, 0.0146451200000000, -0.0031720300000000 ] - [ 0.0005302300000000, -0.0008635000000000, -0.0005343000000000 ] - [ -0.0001555100000000, -0.0000037400000000, 0.0007635800000000 ] - [ -0.0001835300000000, 0.0000064100000000, -0.0000554500000000 ] - [ 0.0126533700000000, -0.0059965400000000, -0.0034196900000000 ] - [ 0.0002424400000000, 0.0007829800000000, 0.0000626100000000 ] - [ 0.0000887400000000, -0.0002020700000000, 0.0010008600000000 ] - [ 0.0002119900000000, 0.0002492300000000, 0.0002119700000000 ] - [ 0.0023357600000000, -0.0004096100000000, -0.0007484700000000 ] - [ 0.0009085000000000, 0.0004438600000000, -0.0002158100000000 ] - [ 0.0022257300000000, -0.0001617600000000, 0.0005974000000000 ] - [ 0.0008515800000000, 0.0001713900000000, 0.0002425500000000 ] - [ -0.0033152100000000, 0.0011879800000000, 0.0033401400000000 ] - [ -0.0006672800000000, -0.0002054600000000, 0.0000539700000000 ] - [ -0.0018517300000000, 0.0005280400000000, -0.0080204000000000 ] - [ -0.0007787100000000, -0.0001385200000000, -0.0007250600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0566214300000000, 0.0023263100000000, 0.0005990800000000 ] - [ 0.0003438000000000, -0.0001221700000000, -0.0002425500000000 ] - [ 0.0003818800000000, 0.0000593900000000, -0.0000863700000000 ] - [ 0.0001124500000000, -0.0001119300000000, -0.0001691000000000 ] - [ -0.0000036400000000, 0.0006147100000000, 0.0034819700000000 ] - [ 0.0003035000000000, 0.0000192800000000, -0.0001324100000000 ] - [ -0.0000034600000000, 0.0006464100000000, -0.0042764000000000 ] - [ 0.0003040200000000, -0.0000067500000000, -0.0003401800000000 ] - [ -0.0005082400000000, 0.0003622000000000, -0.0003439200000000 ] - [ -0.0005092000000000, -0.0004194600000000, 0.0000891000000000 ] - [ -0.0004358500000000, 0.0004727100000000, 0.0006089800000000 ] - [ -0.0004343900000000, -0.0003021600000000, 0.0003088300000000 ] - [ -0.0006384200000000, 0.0002171300000000, 0.0001681900000000 ] - [ -0.0014775200000000, -0.0002723900000000, 0.0002128400000000 ] - [ -0.0003439900000000, 0.0001837600000000, 0.0002648800000000 ] - [ -0.0004832000000000, 0.0000406700000000, 0.0002849600000000 ] - [ -0.0012273100000000, -0.0000431000000000, -0.0009161800000000 ] - [ -0.0001721600000000, 0.0000697200000000, 0.0001351500000000 ] - [ -0.0007701500000000, -0.0002086000000000, 0.0008254400000000 ] - [ -0.0001614800000000, 0.0000581100000000, 0.0002537200000000 ] - [ -0.0022435900000000, 0.0001266500000000, 0.0002834400000000 ] - [ -0.0004123900000000, -0.0001112700000000, 0.0001875500000000 ] - [ -0.0005662900000000, -0.0000883800000000, 0.0002898600000000 ] - [ -0.0002541800000000, -0.0001283100000000, 0.0002526500000000 ] - [ 0.0017344100000000, 0.0000712400000000, -0.0007024300000000 ] - [ 0.0029884200000000, 0.0003666800000000, -0.0001867500000000 ] - [ 0.0001714700000000, -0.0000416200000000, 0.0000192100000000 ] - [ 0.0003546200000000, 0.0000927400000000, -0.0001672000000000 ] - [ 0.0007143800000000, -0.0009635000000000, 0.0004863800000000 ] - [ 0.0004587900000000, 0.0002839900000000, 0.0001176400000000 ] - [ 0.0004603100000000, -0.0008036000000000, -0.0011666000000000 ] - [ 0.0007133300000000, 0.0002424800000000, -0.0005906400000000 ] - [ -0.0030687400000000, 0.0033540700000000, -0.0007562000000000 ] - [ -0.0002280800000000, -0.0008772700000000, 0.0000106800000000 ] - [ 0.0002139700000000, 0.0001771100000000, 0.0002424300000000 ] - [ 0.0000846500000000, -0.0001746000000000, 0.0001587300000000 ] - [ 0.0014836400000000, 0.0018634900000000, -0.0032285400000000 ] - [ 0.0000971700000000, -0.0001274000000000, 0.0000059600000000 ] - [ 0.0008926700000000, 0.0004291900000000, 0.0012728200000000 ] - [ -0.0000196400000000, -0.0003093200000000, 0.0001738400000000 ] - [ -0.0011910000000000, -0.0000312000000000, 0.0005048700000000 ] - [ -0.0001693000000000, 0.0000629300000000, -0.0000340500000000 ] - [ -0.0010093900000000, -0.0001782000000000, -0.0008266500000000 ] - [ -0.0001760400000000, 0.0000665400000000, -0.0001644400000000 ] - [ -0.0039113900000000, -0.0037250700000000, 0.0000066600000000 ] - [ 0.0000186700000000, 0.0006955700000000, -0.0001485200000000 ] - [ -0.0000853200000000, -0.0000738700000000, -0.0000005900000000 ] - [ 0.0000258800000000, 0.0000937200000000, -0.0000518100000000 ] - [ 0.0016485200000000, -0.0005405200000000, -0.0005864600000000 ] - [ 0.0007257500000000, 0.0003170900000000, -0.0002438500000000 ] - [ 0.0006556400000000, -0.0000385000000000, 0.0001601700000000 ] - [ 0.0003789300000000, 0.0000646900000000, -0.0000388800000000 ] - [ -0.0000661500000000, 0.0052040800000000, 0.0004943000000000 ] - [ 0.0000846800000000, -0.0015087600000000, 0.0001905300000000 ] - [ -0.0002134500000000, 0.0002200700000000, 0.0001757600000000 ] - [ -0.0001618000000000, -0.0001772700000000, 0.0000257200000000 ] - [ 0.0002063500000000, -0.0002418200000000, 0.0011295200000000 ] - [ 0.0000000200000000, 0.0001616700000000, -0.0000042200000000 ] - [ 0.0017493200000000, -0.0006743200000000, -0.0026918000000000 ] - [ 0.0000557300000000, 0.0002380500000000, -0.0001852500000000 ] - [ 0.0020533500000000, 0.0027557800000000, -0.0035412200000000 ] - [ -0.0001349100000000, -0.0001796900000000, -0.0001265500000000 ] - [ -0.0000228000000000, 0.0002924200000000, 0.0015367800000000 ] - [ -0.0002699700000000, -0.0000373300000000, 0.0002093600000000 ] - [ -0.0173510800000000, 0.0005558100000000, -0.0041382700000000 ] - [ -0.0000252400000000, -0.0000740400000000, 0.0001521000000000 ] - [ -0.0003447000000000, -0.0001662600000000, 0.0000614400000000 ] - [ -0.0000089100000000, 0.0001624500000000, 0.0001125500000000 ] - [ -0.0014895200000000, 0.0004997800000000, -0.0000350100000000 ] - [ -0.0013730800000000, -0.0000703700000000, 0.0003966600000000 ] - [ -0.0014773800000000, 0.0013961800000000, -0.0020719900000000 ] - [ -0.0010088800000000, 0.0001762700000000, -0.0000134900000000 ] - [ 0.0010699800000000, 0.0000488700000000, -0.0002888000000000 ] - [ 0.0002145000000000, 0.0001127500000000, -0.0002567800000000 ] - [ 0.0011235900000000, -0.0000187100000000, -0.0000828200000000 ] - [ 0.0002131000000000, 0.0000328000000000, -0.0001655100000000 ] - [ 0.0043658500000000, -0.0000626900000000, -0.0002963700000000 ] - [ 0.0004441300000000, 0.0003496900000000, -0.0000547800000000 ] - [ 0.0005650600000000, 0.0002194400000000, -0.0000906700000000 ] - [ 0.0003729700000000, 0.0002608500000000, -0.0001021800000000 ] - [ 0.0006627300000000, -0.0003514600000000, -0.0004031100000000 ] - [ 0.0005872100000000, 0.0002460200000000, -0.0002232500000000 ] - [ 0.0006409200000000, -0.0002088500000000, -0.0001909600000000 ] - [ 0.0006260900000000, 0.0002023300000000, -0.0000297300000000 ] - [ 0.0030540100000000, -0.0023725800000000, 0.0002258900000000 ] - [ 0.0006845700000000, 0.0005045100000000, -0.0001463100000000 ] - [ 0.0005109500000000, -0.0005019800000000, 0.0000021400000000 ] - [ 0.0004425300000000, 0.0000293300000000, -0.0001712300000000 ] - [ 0.0051610600000000, 0.0021745900000000, 0.0001605500000000 ] - [ 0.0001461900000000, -0.0001709000000000, -0.0002621400000000 ] - [ 0.0002402500000000, 0.0000143900000000, -0.0002534900000000 ] - [ -0.0002171100000000, -0.0000265000000000, -0.0003231200000000 ] - [ -0.0069339500000000, -0.0005087800000000, 0.0004424600000000 ] - [ -0.0005184600000000, -0.0002276100000000, 0.0000858100000000 ] - [ -0.0029117400000000, -0.0014312300000000, -0.0010170900000000 ] - [ -0.0005086800000000, -0.0002069500000000, -0.0000212200000000 ] - [ -0.0092914600000000, 0.0063657300000000, 0.0000665700000000 ] - [ -0.0002878800000000, 0.0004257300000000, 0.0003952000000000 ] - [ -0.0005517800000000, -0.0001011500000000, 0.0002920100000000 ] - [ -0.0001684300000000, 0.0001449700000000, 0.0001737200000000 ] - [ 0.0013668900000000, -0.0006604800000000, -0.0005013000000000 ] - [ 0.0005399000000000, 0.0004256300000000, 0.0000918500000000 ] - [ 0.0015797800000000, -0.0009334500000000, 0.0016313100000000 ] - [ 0.0006954200000000, 0.0003717700000000, 0.0006939100000000 ] - [ -0.0004754500000000, 0.0009360500000000, 0.0019342100000000 ] - [ -0.0001179100000000, -0.0002639200000000, 0.0000359700000000 ] - [ 0.0006348700000000, 0.0002296500000000, -0.0016404600000000 ] - [ -0.0000235400000000, -0.0002136800000000, -0.0004292500000000 ] - [ -0.0086042100000000, -0.0064191300000000, 0.0023396800000000 ] - [ -0.0005319100000000, -0.0005078100000000, -0.0002128100000000 ] - [ -0.0003564700000000, -0.0002845000000000, 0.0001215700000000 ] - [ -0.0000913300000000, -0.0000135000000000, 0.0001472100000000 ] - [ -0.0129211400000000, -0.0146012000000000, 0.0029798400000000 ] - [ -0.0005175500000000, 0.0008534500000000, 0.0002899700000000 ] - [ 0.0001614900000000, 0.0000012800000000, -0.0009976000000000 ] - [ 0.0001876800000000, -0.0000086500000000, -0.0001815100000000 ] - [ -0.0126416000000000, 0.0061332200000000, 0.0036703000000000 ] - [ -0.0002262100000000, -0.0007769300000000, 0.0001763300000000 ] - [ -0.0000708700000000, 0.0001992200000000, -0.0007652300000000 ] - [ -0.0001898500000000, -0.0002441700000000, 0.0000290300000000 ] - [ -0.0023408700000000, 0.0004010300000000, 0.0009851800000000 ] - [ -0.0009310500000000, -0.0004391000000000, 0.0004499100000000 ] - [ -0.0022352100000000, 0.0001524400000000, -0.0003523900000000 ] - [ -0.0008689800000000, -0.0001750900000000, -0.0000046500000000 ] - [ 0.0033772000000000, -0.0011463900000000, -0.0035665100000000 ] - [ 0.0006550300000000, 0.0002034300000000, -0.0002877400000000 ] - [ 0.0018598500000000, -0.0005227200000000, 0.0077342000000000 ] - [ 0.0007643300000000, 0.0001488400000000, 0.0004819300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021334100000000, -0.0560562700000000, 0.0089704900000000 ] - [ -0.0000194800000000, 0.0007915100000000, -0.0002041400000000 ] - [ -0.0002025400000000, -0.0007080300000000, -0.0002971900000000 ] - [ -0.0000281800000000, 0.0004088700000000, -0.0001848000000000 ] - [ -0.0005126200000000, -0.0014920200000000, -0.0004476700000000 ] - [ 0.0001475900000000, 0.0005918500000000, -0.0002074500000000 ] - [ -0.0004790800000000, -0.0014920200000000, 0.0002904500000000 ] - [ 0.0001204800000000, 0.0005922000000000, -0.0002850000000000 ] - [ -0.0002802400000000, 0.0001845200000000, -0.0004795500000000 ] - [ 0.0005011900000000, 0.0001860900000000, 0.0003446100000000 ] - [ -0.0001647800000000, 0.0002978700000000, 0.0006862100000000 ] - [ 0.0006098200000000, 0.0003018000000000, 0.0000718500000000 ] - [ 0.0000765100000000, -0.0000687500000000, 0.0002059800000000 ] - [ -0.0004167000000000, 0.0003644300000000, 0.0003320300000000 ] - [ 0.0000407300000000, 0.0000749100000000, 0.0002103800000000 ] - [ -0.0001040200000000, 0.0000895800000000, 0.0001586100000000 ] - [ 0.0001871100000000, -0.0009693500000000, -0.0003607000000000 ] - [ 0.0000697100000000, 0.0005898200000000, 0.0002476900000000 ] - [ 0.0003478600000000, -0.0011685200000000, 0.0005483700000000 ] - [ 0.0000828000000000, 0.0005719200000000, 0.0001995900000000 ] - [ -0.0002686400000000, -0.0006875700000000, 0.0003322100000000 ] - [ -0.0000282900000000, 0.0003979300000000, 0.0002121000000000 ] - [ -0.0000513000000000, -0.0003646900000000, 0.0002015300000000 ] - [ -0.0000125300000000, 0.0002037200000000, 0.0001743900000000 ] - [ -0.0000876300000000, 0.0055549500000000, 0.0000537000000000 ] - [ 0.0002296000000000, 0.0053055500000000, -0.0003398000000000 ] - [ -0.0001845900000000, 0.0003712700000000, -0.0004629000000000 ] - [ -0.0000463400000000, -0.0000641900000000, -0.0001604900000000 ] - [ 0.0003887300000000, 0.0002819100000000, -0.0008598900000000 ] - [ -0.0006594100000000, 0.0002273600000000, 0.0002612100000000 ] - [ 0.0004306300000000, 0.0002266000000000, 0.0005781900000000 ] - [ -0.0008221200000000, 0.0002834500000000, -0.0006837900000000 ] - [ -0.0025533500000000, -0.0007472400000000, -0.0003925900000000 ] - [ 0.0002443500000000, 0.0009438100000000, 0.0001312900000000 ] - [ -0.0001384700000000, -0.0002256700000000, 0.0001197900000000 ] - [ 0.0000516300000000, 0.0002371700000000, 0.0000458100000000 ] - [ -0.0019978000000000, 0.0005760400000000, -0.0058211100000000 ] - [ 0.0000939500000000, 0.0009749300000000, 0.0002488600000000 ] - [ -0.0000284800000000, -0.0007374600000000, 0.0022183500000000 ] - [ 0.0000469100000000, 0.0009915700000000, -0.0000930800000000 ] - [ 0.0002161900000000, -0.0002403300000000, -0.0004573500000000 ] - [ -0.0001741300000000, 0.0002342100000000, -0.0000222800000000 ] - [ -0.0000477100000000, -0.0002266000000000, 0.0002469700000000 ] - [ -0.0001422900000000, 0.0002424200000000, -0.0001820700000000 ] - [ 0.0039910800000000, -0.0003520600000000, 0.0003834800000000 ] - [ -0.0001239600000000, 0.0011375500000000, -0.0001194100000000 ] - [ 0.0004503300000000, -0.0002682500000000, -0.0003568000000000 ] - [ -0.0000789500000000, 0.0002700100000000, -0.0000581400000000 ] - [ 0.0003448400000000, 0.0006429500000000, 0.0000877200000000 ] - [ 0.0000931000000000, -0.0006001600000000, 0.0001072000000000 ] - [ 0.0002311400000000, 0.0002995100000000, -0.0000927000000000 ] - [ 0.0000949300000000, -0.0003037000000000, -0.0002559400000000 ] - [ -0.0024208300000000, -0.0005914300000000, -0.0001609600000000 ] - [ 0.0019657200000000, -0.0024361400000000, -0.0000856400000000 ] - [ 0.0000187800000000, 0.0001981900000000, 0.0002625200000000 ] - [ 0.0006809200000000, -0.0006384000000000, 0.0000240600000000 ] - [ 0.0001287100000000, 0.0005846500000000, 0.0011704700000000 ] - [ -0.0003471200000000, -0.0005624900000000, -0.0002033000000000 ] - [ 0.0022981300000000, 0.0007584800000000, -0.0034899800000000 ] - [ -0.0004720200000000, -0.0007538800000000, 0.0000514900000000 ] - [ -0.0013643700000000, 0.0004037600000000, 0.0009692700000000 ] - [ 0.0002060900000000, -0.0007141000000000, -0.0002898300000000 ] - [ -0.0001238300000000, 0.0004511500000000, -0.0004927300000000 ] - [ 0.0000887100000000, -0.0004627800000000, 0.0002534800000000 ] - [ 0.0020385900000000, 0.0068664900000000, 0.0001588100000000 ] - [ 0.0000299300000000, -0.0013108500000000, 0.0002159600000000 ] - [ 0.0007132700000000, 0.0010126200000000, -0.0000219300000000 ] - [ 0.0000555200000000, -0.0005216700000000, 0.0002334500000000 ] - [ -0.0006454600000000, -0.0003450700000000, -0.0021766700000000 ] - [ 0.0001464200000000, -0.0019880000000000, 0.0016249900000000 ] - [ 0.0008188900000000, -0.0013706300000000, 0.0033290800000000 ] - [ -0.0000313900000000, -0.0008386800000000, -0.0006010400000000 ] - [ 0.0000477000000000, 0.0006861900000000, 0.0000053300000000 ] - [ -0.0003309000000000, -0.0008073000000000, 0.0000239600000000 ] - [ 0.0001087300000000, 0.0007734300000000, -0.0004917700000000 ] - [ -0.0003302900000000, -0.0008047500000000, -0.0000511900000000 ] - [ 0.0030921700000000, 0.0039488000000000, -0.0000470900000000 ] - [ -0.0002620000000000, -0.0010808100000000, -0.0003382700000000 ] - [ 0.0001453900000000, 0.0011606900000000, 0.0001759600000000 ] - [ -0.0000596300000000, -0.0006048800000000, -0.0002768700000000 ] - [ -0.0002561700000000, 0.0003852100000000, -0.0000556500000000 ] - [ -0.0000227400000000, -0.0002691900000000, 0.0000935700000000 ] - [ -0.0003348700000000, 0.0004349600000000, -0.0000287300000000 ] - [ 0.0001191600000000, -0.0003953300000000, -0.0005060000000000 ] - [ 0.0037082900000000, -0.0019300600000000, -0.0002078900000000 ] - [ -0.0005247700000000, -0.0009730000000000, -0.0001698900000000 ] - [ 0.0001242600000000, 0.0000734700000000, -0.0001421700000000 ] - [ -0.0000381600000000, -0.0006290400000000, 0.0000427900000000 ] - [ -0.0007840700000000, 0.0005066200000000, -0.0006718800000000 ] - [ 0.0004282700000000, -0.0006187300000000, -0.0002387300000000 ] - [ -0.0001724400000000, 0.0003139400000000, -0.0002611100000000 ] - [ -0.0000207800000000, -0.0003018300000000, -0.0002148700000000 ] - [ -0.0000492000000000, 0.0067243800000000, 0.0005635600000000 ] - [ -0.0003588200000000, -0.0015831200000000, -0.0000054600000000 ] - [ 0.0011015800000000, 0.0041389500000000, 0.0026609500000000 ] - [ -0.0004477000000000, -0.0013655900000000, -0.0002170500000000 ] - [ -0.0052885100000000, 0.0158343500000000, -0.0004116700000000 ] - [ -0.0008637800000000, -0.0014317700000000, 0.0002540600000000 ] - [ -0.0005255300000000, 0.0006897700000000, 0.0003771700000000 ] - [ -0.0004617700000000, -0.0006622800000000, 0.0003851300000000 ] - [ 0.0010656800000000, 0.0004526700000000, 0.0001937300000000 ] - [ 0.0001027600000000, -0.0004912200000000, 0.0004580500000000 ] - [ 0.0008757400000000, 0.0006413500000000, 0.0003273000000000 ] - [ 0.0000237600000000, -0.0005622100000000, 0.0000244500000000 ] - [ -0.0011944100000000, 0.0004829700000000, -0.0013176100000000 ] - [ 0.0004549200000000, -0.0008641700000000, 0.0000162400000000 ] - [ -0.0025089700000000, 0.0007243500000000, 0.0033376000000000 ] - [ 0.0004567300000000, -0.0006265000000000, -0.0006260500000000 ] - [ 0.0060872700000000, 0.0175270300000000, -0.0038232900000000 ] - [ 0.0001582600000000, -0.0014562000000000, -0.0005964000000000 ] - [ 0.0001767700000000, 0.0004609000000000, -0.0004635000000000 ] - [ 0.0002576700000000, -0.0006146200000000, 0.0006380800000000 ] - [ 0.0074645700000000, -0.0002269300000000, 0.0001953600000000 ] - [ -0.0011408800000000, 0.0027444800000000, 0.0005400500000000 ] - [ -0.0003156500000000, -0.0011681000000000, 0.0002538500000000 ] - [ -0.0003098500000000, 0.0011001500000000, -0.0002469400000000 ] - [ -0.0134733700000000, -0.0013061100000000, 0.0043471700000000 ] - [ 0.0012146100000000, 0.0020726000000000, 0.0000593900000000 ] - [ 0.0001629400000000, -0.0011185800000000, -0.0007205700000000 ] - [ 0.0004521800000000, 0.0011024000000000, 0.0002206600000000 ] - [ -0.0007455500000000, -0.0010858400000000, -0.0003031900000000 ] - [ 0.0001267900000000, 0.0010813100000000, -0.0002390600000000 ] - [ -0.0004872800000000, -0.0010667000000000, 0.0001294600000000 ] - [ 0.0001502600000000, 0.0010543000000000, 0.0004258700000000 ] - [ 0.0020419700000000, -0.0000930800000000, 0.0067943100000000 ] - [ -0.0005573000000000, 0.0027049200000000, -0.0009610700000000 ] - [ 0.0007566100000000, -0.0011411700000000, -0.0155331900000000 ] - [ -0.0001285200000000, 0.0020423100000000, 0.0010073900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033435000000000, 0.0559491800000000, -0.0100047500000000 ] - [ -0.0001082300000000, -0.0009516700000000, -0.0002140700000000 ] - [ 0.0000754900000000, 0.0005427800000000, -0.0001185400000000 ] - [ -0.0000970800000000, -0.0005710000000000, -0.0002346500000000 ] - [ 0.0006291800000000, 0.0016503200000000, 0.0000390900000000 ] - [ -0.0000183300000000, -0.0004350400000000, -0.0002193900000000 ] - [ 0.0005999800000000, 0.0016505300000000, -0.0007330400000000 ] - [ 0.0000078900000000, -0.0004338900000000, -0.0001412000000000 ] - [ 0.0004060600000000, -0.0003439700000000, 0.0009081300000000 ] - [ -0.0003756500000000, -0.0003416800000000, 0.0000809000000000 ] - [ 0.0002899100000000, -0.0004572200000000, -0.0002599300000000 ] - [ -0.0004847200000000, -0.0004563100000000, 0.0003540800000000 ] - [ -0.0002043500000000, 0.0002347900000000, 0.0002123600000000 ] - [ 0.0002876700000000, -0.0002062100000000, 0.0000850700000000 ] - [ -0.0001709600000000, 0.0000894300000000, 0.0002082700000000 ] - [ -0.0000271300000000, 0.0000712900000000, 0.0002613600000000 ] - [ -0.0000565700000000, 0.0011307400000000, 0.0007803500000000 ] - [ 0.0000555000000000, -0.0004268800000000, 0.0001708700000000 ] - [ -0.0002212000000000, 0.0013298500000000, -0.0001296900000000 ] - [ 0.0000426400000000, -0.0004097000000000, 0.0002203100000000 ] - [ 0.0001356200000000, 0.0005318200000000, 0.0000924600000000 ] - [ -0.0001001100000000, -0.0005562600000000, 0.0002130900000000 ] - [ -0.0000773700000000, 0.0002062200000000, 0.0002246000000000 ] - [ -0.0001180300000000, -0.0003612700000000, 0.0002509900000000 ] - [ -0.0000529600000000, -0.0054723700000000, -0.0004700100000000 ] - [ -0.0003663800000000, -0.0050774900000000, -0.0000869700000000 ] - [ 0.0000558300000000, -0.0002101200000000, 0.0000346300000000 ] - [ -0.0000795100000000, 0.0002196500000000, -0.0002626600000000 ] - [ -0.0002535200000000, -0.0004446800000000, 0.0004378000000000 ] - [ 0.0007925300000000, -0.0003887200000000, -0.0006847000000000 ] - [ -0.0002955000000000, -0.0003889300000000, -0.0009931400000000 ] - [ 0.0009521900000000, -0.0004438300000000, 0.0002722200000000 ] - [ 0.0026746000000000, 0.0007630300000000, 0.0005770800000000 ] - [ -0.0001364900000000, -0.0009404900000000, 0.0000505300000000 ] - [ 0.0002417600000000, 0.0002280700000000, 0.0000589600000000 ] - [ 0.0000550600000000, -0.0002378400000000, 0.0001395000000000 ] - [ 0.0018681900000000, -0.0005928000000000, 0.0059605500000000 ] - [ -0.0002032900000000, -0.0009777400000000, -0.0000689300000000 ] - [ -0.0000784000000000, 0.0007283700000000, -0.0020332300000000 ] - [ -0.0001559400000000, -0.0009879000000000, 0.0002760400000000 ] - [ -0.0003239200000000, 0.0002399500000000, 0.0002775800000000 ] - [ 0.0000658200000000, -0.0002326200000000, -0.0001636800000000 ] - [ -0.0000589800000000, 0.0002237100000000, -0.0004310200000000 ] - [ 0.0000403700000000, -0.0002399600000000, 0.0000039000000000 ] - [ -0.0038939600000000, 0.0003630600000000, -0.0005640100000000 ] - [ 0.0002294600000000, -0.0011391400000000, -0.0000610100000000 ] - [ -0.0003402800000000, 0.0002700400000000, 0.0001741000000000 ] - [ 0.0001836700000000, -0.0002686800000000, -0.0001211800000000 ] - [ -0.0001012200000000, -0.0006447700000000, -0.0002805900000000 ] - [ 0.0001510500000000, 0.0006014900000000, -0.0002886900000000 ] - [ 0.0000132300000000, -0.0003043200000000, -0.0000948500000000 ] - [ 0.0001487600000000, 0.0003025800000000, 0.0000678400000000 ] - [ 0.0027089500000000, 0.0003402900000000, 0.0004178400000000 ] - [ -0.0016481300000000, 0.0021836200000000, 0.0003416500000000 ] - [ 0.0003033900000000, -0.0004609800000000, -0.0000070900000000 ] - [ -0.0003465700000000, 0.0003636300000000, 0.0002298500000000 ] - [ -0.0003744200000000, -0.0005824900000000, -0.0013530300000000 ] - [ 0.0001081700000000, 0.0005580100000000, 0.0000086400000000 ] - [ -0.0025352400000000, -0.0007633800000000, 0.0033025500000000 ] - [ 0.0002265400000000, 0.0007460800000000, -0.0002331700000000 ] - [ 0.0011164800000000, -0.0003861600000000, -0.0007985100000000 ] - [ -0.0004523500000000, 0.0007198800000000, 0.0004844200000000 ] - [ -0.0001232100000000, -0.0004467900000000, 0.0006708900000000 ] - [ -0.0003352000000000, 0.0004670400000000, -0.0000658600000000 ] - [ -0.0017594000000000, -0.0066127100000000, 0.0000915600000000 ] - [ 0.0003025000000000, 0.0015899700000000, 0.0000334800000000 ] - [ -0.0003837300000000, -0.0007452200000000, 0.0002790800000000 ] - [ 0.0002782000000000, 0.0007987800000000, 0.0000152400000000 ] - [ 0.0003308000000000, 0.0005998100000000, 0.0024606500000000 ] - [ -0.0004716800000000, 0.0022460700000000, -0.0013615900000000 ] - [ -0.0011315600000000, 0.0016322200000000, -0.0030770500000000 ] - [ -0.0002897500000000, 0.0011018100000000, 0.0008559400000000 ] - [ -0.0003742000000000, -0.0009557400000000, -0.0002555900000000 ] - [ -0.0000022100000000, 0.0005376600000000, -0.0002770300000000 ] - [ -0.0004302100000000, -0.0010416100000000, 0.0002409300000000 ] - [ 0.0000065000000000, 0.0005405200000000, -0.0002057700000000 ] - [ -0.0027527800000000, -0.0036713300000000, -0.0002102700000000 ] - [ 0.0005874800000000, 0.0013490200000000, 0.0000864700000000 ] - [ 0.0001840800000000, -0.0008896400000000, -0.0004353000000000 ] - [ 0.0003871900000000, 0.0008705100000000, 0.0000164900000000 ] - [ -0.0000793700000000, -0.0001158800000000, -0.0001997600000000 ] - [ -0.0003075300000000, 0.0005411100000000, -0.0003492200000000 ] - [ 0.0000058700000000, -0.0001665300000000, -0.0002210800000000 ] - [ -0.0004527400000000, 0.0006690400000000, 0.0002497400000000 ] - [ -0.0034039000000000, 0.0016719100000000, -0.0000486100000000 ] - [ 0.0008596700000000, 0.0006961600000000, -0.0000790700000000 ] - [ 0.0002017200000000, -0.0003390900000000, -0.0001117900000000 ] - [ 0.0003659200000000, 0.0003571800000000, -0.0002958500000000 ] - [ 0.0003847400000000, -0.0004773000000000, 0.0001187300000000 ] - [ -0.0008537900000000, 0.0006152500000000, -0.0003162000000000 ] - [ -0.0002453500000000, -0.0003097500000000, -0.0002892900000000 ] - [ -0.0003989300000000, 0.0003015300000000, -0.0003378900000000 ] - [ -0.0002886100000000, -0.0069999100000000, -0.0002741900000000 ] - [ 0.0000259300000000, 0.0013079200000000, 0.0002602900000000 ] - [ -0.0014301700000000, -0.0044173100000000, -0.0023992300000000 ] - [ 0.0001133400000000, 0.0010917600000000, 0.0004657900000000 ] - [ 0.0041802300000000, -0.0151230900000000, 0.0010038500000000 ] - [ 0.0004472800000000, 0.0014333200000000, 0.0002951900000000 ] - [ 0.0001123700000000, -0.0006828400000000, 0.0001722200000000 ] - [ 0.0000370000000000, 0.0006599500000000, 0.0001698600000000 ] - [ -0.0006555100000000, -0.0004538400000000, 0.0003572200000000 ] - [ 0.0003220000000000, 0.0004902600000000, 0.0000965000000000 ] - [ -0.0004674800000000, -0.0006463300000000, 0.0002239900000000 ] - [ 0.0003934400000000, 0.0005565600000000, 0.0005260800000000 ] - [ 0.0016048400000000, -0.0004964200000000, 0.0007709200000000 ] - [ -0.0000305300000000, 0.0008616100000000, -0.0005684200000000 ] - [ 0.0029156900000000, -0.0007151800000000, -0.0038905700000000 ] - [ -0.0000402600000000, 0.0006340000000000, 0.0000740200000000 ] - [ -0.0063292800000000, -0.0183186000000000, 0.0046047700000000 ] - [ 0.0000873400000000, 0.0014529100000000, 0.0007807400000000 ] - [ 0.0000592200000000, -0.0004792900000000, 0.0006392800000000 ] - [ -0.0000122700000000, 0.0006071300000000, -0.0004493700000000 ] - [ -0.0074147200000000, 0.0001083200000000, -0.0004141700000000 ] - [ 0.0011640100000000, -0.0027592400000000, -0.0007791300000000 ] - [ 0.0003284600000000, 0.0011667600000000, -0.0004887900000000 ] - [ 0.0003209500000000, -0.0011002000000000, 0.0000164900000000 ] - [ 0.0134819700000000, 0.0013316600000000, -0.0041270200000000 ] - [ -0.0012064600000000, -0.0020639900000000, 0.0001744400000000 ] - [ -0.0001492300000000, 0.0011110100000000, 0.0009582100000000 ] - [ -0.0004360800000000, -0.0010986500000000, 0.0000154500000000 ] - [ 0.0007363600000000, 0.0010866600000000, 0.0005406900000000 ] - [ -0.0001411800000000, -0.0010824100000000, 0.0004696200000000 ] - [ 0.0004748800000000, 0.0010685300000000, 0.0001038400000000 ] - [ -0.0001602900000000, -0.0010615300000000, -0.0001883300000000 ] - [ -0.0020538400000000, 0.0002036800000000, -0.0070684600000000 ] - [ 0.0005357000000000, -0.0026915200000000, 0.0007229000000000 ] - [ -0.0007907900000000, 0.0011394400000000, 0.0152993300000000 ] - [ 0.0001138800000000, -0.0020370000000000, -0.0012419500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011198200000000, 0.0097216500000000, -0.0429559600000000 ] - [ -0.0000314900000000, -0.0000755600000000, -0.0004588400000000 ] - [ -0.0001868300000000, -0.0001663900000000, 0.0028699900000000 ] - [ -0.0001033200000000, -0.0000558600000000, 0.0000286400000000 ] - [ -0.0039898800000000, -0.0004313700000000, 0.0023057000000000 ] - [ -0.0000605300000000, 0.0001467200000000, -0.0002025900000000 ] - [ 0.0038019100000000, 0.0003231300000000, 0.0023221200000000 ] - [ 0.0001464900000000, 0.0000715000000000, -0.0002030000000000 ] - [ 0.0001884900000000, -0.0002094700000000, -0.0000586900000000 ] - [ 0.0006194800000000, 0.0006165400000000, -0.0000611000000000 ] - [ -0.0000322500000000, 0.0000640800000000, 0.0004729500000000 ] - [ -0.0003318800000000, -0.0005514100000000, 0.0004734400000000 ] - [ -0.0001086500000000, 0.0000762300000000, -0.0000119100000000 ] - [ -0.0000602200000000, 0.0002024500000000, 0.0001070600000000 ] - [ -0.0000093600000000, 0.0000811000000000, 0.0004633400000000 ] - [ 0.0000098800000000, 0.0000286700000000, 0.0003085900000000 ] - [ 0.0011794800000000, -0.0004885300000000, -0.0000656900000000 ] - [ 0.0001377600000000, 0.0001157000000000, 0.0000773200000000 ] - [ -0.0005524600000000, 0.0004203100000000, 0.0006250700000000 ] - [ 0.0000187100000000, 0.0000692700000000, 0.0003396400000000 ] - [ 0.0000029800000000, -0.0001950000000000, -0.0000221000000000 ] - [ -0.0000907200000000, -0.0000773100000000, 0.0001506900000000 ] - [ 0.0000120800000000, -0.0000660700000000, 0.0004913300000000 ] - [ -0.0000256900000000, -0.0000392900000000, 0.0002813600000000 ] - [ 0.0004262000000000, -0.0001740100000000, -0.0027884100000000 ] - [ -0.0000906600000000, 0.0001924100000000, -0.0014603500000000 ] - [ -0.0002982600000000, 0.0003226300000000, 0.0012131000000000 ] - [ -0.0001072900000000, 0.0000289000000000, 0.0002681600000000 ] - [ -0.0003149100000000, -0.0005576700000000, -0.0000945100000000 ] - [ -0.0008905000000000, 0.0007061100000000, 0.0000207200000000 ] - [ 0.0003945500000000, 0.0003932300000000, 0.0000187900000000 ] - [ 0.0007652800000000, -0.0007285900000000, -0.0000994500000000 ] - [ 0.0008023800000000, -0.0006090100000000, -0.0009940200000000 ] - [ 0.0001166300000000, 0.0001531800000000, 0.0000034600000000 ] - [ -0.0001862500000000, 0.0000692100000000, 0.0007616500000000 ] - [ 0.0000149500000000, -0.0000083400000000, 0.0001949500000000 ] - [ 0.0035463800000000, -0.0057815300000000, 0.0032026600000000 ] - [ 0.0002782800000000, 0.0008056200000000, -0.0001575700000000 ] - [ -0.0013118700000000, 0.0020290900000000, 0.0021911300000000 ] - [ -0.0002609400000000, -0.0005791500000000, 0.0003440600000000 ] - [ -0.0001598000000000, -0.0001338400000000, -0.0000716100000000 ] - [ -0.0000448900000000, 0.0001350800000000, -0.0000966700000000 ] - [ 0.0000530300000000, 0.0001059900000000, 0.0000300400000000 ] - [ -0.0000678000000000, -0.0000927300000000, -0.0000781500000000 ] - [ -0.0003947100000000, 0.0002414600000000, -0.0027832500000000 ] - [ 0.0000674300000000, 0.0000500100000000, -0.0002710800000000 ] - [ 0.0003881200000000, -0.0000431600000000, 0.0013453300000000 ] - [ 0.0000522300000000, -0.0000173700000000, 0.0000882300000000 ] - [ 0.0001141500000000, 0.0001339100000000, 0.0007878500000000 ] - [ 0.0001035300000000, -0.0000531300000000, 0.0001719200000000 ] - [ 0.0000108200000000, 0.0000089500000000, -0.0008124400000000 ] - [ 0.0001037700000000, -0.0000228700000000, -0.0003178900000000 ] - [ -0.0003354800000000, -0.0011033600000000, 0.0011321400000000 ] - [ -0.0001707900000000, 0.0003282100000000, 0.0009846000000000 ] - [ 0.0003683700000000, -0.0000457500000000, -0.0004042800000000 ] - [ 0.0004507500000000, -0.0004543100000000, -0.0005842100000000 ] - [ -0.0010214100000000, 0.0007373100000000, -0.0011973700000000 ] - [ -0.0003654400000000, -0.0004055900000000, -0.0005075100000000 ] - [ 0.0005187900000000, -0.0008364800000000, 0.0008651100000000 ] - [ 0.0000802800000000, 0.0003222100000000, 0.0002146400000000 ] - [ 0.0012384600000000, 0.0001434300000000, 0.0027139800000000 ] - [ 0.0000480300000000, -0.0001518200000000, 0.0006600000000000 ] - [ -0.0005778800000000, -0.0002102400000000, -0.0012633200000000 ] - [ -0.0002202700000000, 0.0000865600000000, -0.0003774400000000 ] - [ 0.0041615500000000, -0.0001692700000000, 0.0072114700000000 ] - [ 0.0001038600000000, 0.0001529600000000, 0.0003518000000000 ] - [ 0.0008414100000000, 0.0006775700000000, -0.0016151200000000 ] - [ 0.0002380200000000, 0.0000677300000000, -0.0000770500000000 ] - [ -0.0003162700000000, -0.0048369800000000, 0.0001001900000000 ] - [ -0.0004607600000000, 0.0013414600000000, 0.0000980800000000 ] - [ -0.0006000200000000, 0.0028987300000000, -0.0015244200000000 ] - [ 0.0000698500000000, -0.0007218100000000, -0.0001064000000000 ] - [ -0.0001345000000000, 0.0000337900000000, 0.0000402800000000 ] - [ -0.0001929200000000, -0.0001719500000000, -0.0000457400000000 ] - [ -0.0002286200000000, -0.0001713700000000, -0.0002937000000000 ] - [ -0.0001713200000000, -0.0001760600000000, -0.0001807800000000 ] - [ 0.0004102100000000, 0.0004406500000000, 0.0010375500000000 ] - [ 0.0002325100000000, 0.0002410100000000, 0.0000918700000000 ] - [ 0.0000260800000000, -0.0000223800000000, -0.0009833100000000 ] - [ 0.0000767500000000, -0.0000049600000000, -0.0003781100000000 ] - [ -0.0000860400000000, -0.0001081900000000, 0.0000331500000000 ] - [ -0.0002007200000000, 0.0002455700000000, -0.0000279400000000 ] - [ -0.0002728100000000, 0.0003664300000000, -0.0002186300000000 ] - [ -0.0001406400000000, -0.0000250800000000, -0.0002666700000000 ] - [ 0.0003840600000000, -0.0005198300000000, 0.0000687200000000 ] - [ 0.0004050800000000, -0.0001348700000000, 0.0006125000000000 ] - [ 0.0000334800000000, 0.0001286100000000, -0.0006498000000000 ] - [ 0.0000444000000000, -0.0001015500000000, -0.0007411000000000 ] - [ -0.0011109700000000, -0.0007623000000000, 0.0001412400000000 ] - [ -0.0002335200000000, 0.0000795800000000, -0.0000661800000000 ] - [ -0.0002075200000000, 0.0001529200000000, -0.0007063600000000 ] - [ -0.0001916400000000, -0.0000885600000000, -0.0004683600000000 ] - [ -0.0017445800000000, -0.0025152500000000, 0.0107882400000000 ] - [ -0.0001982200000000, 0.0000202600000000, 0.0001935900000000 ] - [ 0.0010835600000000, 0.0023997900000000, -0.0061309400000000 ] - [ -0.0001515400000000, -0.0002998100000000, 0.0000637200000000 ] - [ -0.0006379800000000, 0.0003512800000000, 0.0059896000000000 ] - [ -0.0003104900000000, 0.0002500600000000, 0.0010508900000000 ] - [ -0.0000100600000000, -0.0000084900000000, -0.0012238500000000 ] - [ -0.0001320300000000, -0.0000968800000000, -0.0003508800000000 ] - [ 0.0017181800000000, -0.0002996400000000, 0.0003781400000000 ] - [ 0.0003037800000000, 0.0000502000000000, 0.0003468900000000 ] - [ -0.0009186000000000, 0.0003125300000000, -0.0001363000000000 ] - [ 0.0001052200000000, -0.0001102400000000, 0.0001854100000000 ] - [ -0.0040198700000000, -0.0025563700000000, -0.0003314500000000 ] - [ -0.0000939100000000, 0.0001322000000000, -0.0001524400000000 ] - [ 0.0027740700000000, 0.0009265500000000, -0.0020216500000000 ] - [ 0.0004324600000000, -0.0001371400000000, -0.0003927800000000 ] - [ -0.0030761800000000, -0.0063297000000000, 0.0088016700000000 ] - [ 0.0002024800000000, -0.0001364900000000, 0.0003727700000000 ] - [ -0.0012498300000000, -0.0023150700000000, -0.0055047200000000 ] - [ 0.0000461200000000, 0.0001223600000000, -0.0002933200000000 ] - [ 0.0007295400000000, 0.0024792100000000, -0.0051201800000000 ] - [ 0.0001418800000000, -0.0002365000000000, -0.0009969400000000 ] - [ -0.0003875400000000, -0.0006261200000000, 0.0017998100000000 ] - [ -0.0001484700000000, 0.0002917900000000, 0.0006289800000000 ] - [ -0.0020649600000000, 0.0014328400000000, -0.0015635500000000 ] - [ -0.0002734900000000, -0.0004056400000000, -0.0006204800000000 ] - [ 0.0001996000000000, -0.0002883300000000, 0.0021787000000000 ] - [ 0.0001864800000000, 0.0002732900000000, 0.0009917000000000 ] - [ -0.0010063800000000, 0.0000056700000000, -0.0011822800000000 ] - [ -0.0000348600000000, -0.0000626800000000, -0.0002456100000000 ] - [ 0.0008110400000000, -0.0001350900000000, 0.0010402900000000 ] - [ 0.0000591400000000, 0.0001669600000000, 0.0004314200000000 ] - [ 0.0084140500000000, 0.0146497300000000, 0.0099453000000000 ] - [ 0.0006177700000000, -0.0007338400000000, 0.0003145300000000 ] - [ -0.0059017400000000, -0.0106525600000000, 0.0096182900000000 ] - [ -0.0004810500000000, 0.0007036400000000, -0.0004200800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011596900000000, -0.0092378400000000, 0.0438409900000000 ] - [ -0.0000974500000000, -0.0000852200000000, 0.0000429000000000 ] - [ 0.0000580700000000, 0.0000101200000000, -0.0032705700000000 ] - [ -0.0000252900000000, -0.0001046900000000, -0.0004463300000000 ] - [ 0.0041543000000000, 0.0005890900000000, -0.0027490700000000 ] - [ 0.0001930500000000, 0.0000043800000000, -0.0002207400000000 ] - [ -0.0036165400000000, -0.0001654200000000, -0.0027341300000000 ] - [ -0.0000145800000000, 0.0000828200000000, -0.0002220900000000 ] - [ -0.0000583700000000, 0.0000535600000000, 0.0004912600000000 ] - [ -0.0004938400000000, -0.0007729900000000, 0.0004888900000000 ] - [ 0.0001599000000000, -0.0002180000000000, -0.0000492100000000 ] - [ 0.0004600600000000, 0.0003953800000000, -0.0000483800000000 ] - [ -0.0000241400000000, 0.0000825300000000, 0.0004317300000000 ] - [ -0.0000708300000000, -0.0000454600000000, 0.0003114100000000 ] - [ -0.0001237800000000, 0.0000784500000000, -0.0000435200000000 ] - [ -0.0001425400000000, 0.0001321200000000, 0.0001132100000000 ] - [ -0.0010559100000000, 0.0006520000000000, 0.0004914600000000 ] - [ -0.0000097900000000, 0.0000406600000000, 0.0003431500000000 ] - [ 0.0006764100000000, -0.0002596200000000, -0.0002087700000000 ] - [ 0.0001096100000000, 0.0000899200000000, 0.0000788700000000 ] - [ -0.0001351600000000, 0.0000443500000000, 0.0004483100000000 ] - [ -0.0000416200000000, -0.0000786900000000, 0.0002753600000000 ] - [ -0.0001439700000000, -0.0000898800000000, -0.0000630300000000 ] - [ -0.0001073800000000, -0.0001156700000000, 0.0001458200000000 ] - [ -0.0005550100000000, 0.0003494300000000, 0.0023704500000000 ] - [ -0.0000390600000000, -0.0000595800000000, 0.0010366100000000 ] - [ 0.0001684300000000, -0.0001733200000000, -0.0016372600000000 ] - [ -0.0000189900000000, 0.0001302300000000, -0.0006907700000000 ] - [ 0.0004501100000000, 0.0004006000000000, -0.0003179100000000 ] - [ 0.0010284300000000, -0.0008668200000000, -0.0004376400000000 ] - [ -0.0002599400000000, -0.0005508800000000, -0.0004414400000000 ] - [ -0.0006299200000000, 0.0005666100000000, -0.0003212100000000 ] - [ -0.0007141600000000, 0.0006213500000000, 0.0011711100000000 ] - [ -0.0000165200000000, -0.0001554800000000, 0.0001804200000000 ] - [ 0.0002920500000000, -0.0000721000000000, -0.0005761600000000 ] - [ 0.0000904300000000, 0.0000091200000000, -0.0000052400000000 ] - [ -0.0036966900000000, 0.0058456200000000, -0.0030381900000000 ] - [ -0.0003819600000000, -0.0008103600000000, 0.0003439900000000 ] - [ 0.0011913400000000, -0.0020038100000000, -0.0019907600000000 ] - [ 0.0001580400000000, 0.0005779700000000, -0.0001603500000000 ] - [ 0.0000560700000000, 0.0001338800000000, -0.0001079800000000 ] - [ -0.0000581300000000, -0.0001352900000000, -0.0000867200000000 ] - [ -0.0001537800000000, -0.0001064600000000, -0.0002189200000000 ] - [ -0.0000338600000000, 0.0000930300000000, -0.0001066900000000 ] - [ 0.0005145200000000, -0.0002268700000000, 0.0026074100000000 ] - [ 0.0000354200000000, -0.0000548100000000, 0.0000884600000000 ] - [ -0.0002873000000000, 0.0000402100000000, -0.0015298300000000 ] - [ 0.0000531200000000, 0.0000187800000000, -0.0002737900000000 ] - [ 0.0001289400000000, -0.0001354500000000, -0.0009835700000000 ] - [ 0.0001419900000000, 0.0000554200000000, -0.0003611300000000 ] - [ 0.0002307100000000, -0.0000111000000000, 0.0006253900000000 ] - [ 0.0001422300000000, 0.0000198700000000, 0.0001369200000000 ] - [ 0.0006719800000000, 0.0008537100000000, -0.0008703600000000 ] - [ 0.0004990200000000, -0.0006020900000000, -0.0007272600000000 ] - [ -0.0000423800000000, -0.0002294500000000, 0.0006564200000000 ] - [ -0.0001174500000000, 0.0001855200000000, 0.0008428200000000 ] - [ 0.0007862500000000, -0.0007430800000000, 0.0010059900000000 ] - [ 0.0001261100000000, 0.0004043500000000, 0.0003157000000000 ] - [ -0.0007622100000000, 0.0008277700000000, -0.0010224000000000 ] - [ -0.0003238200000000, -0.0003264300000000, -0.0003979100000000 ] - [ -0.0014873300000000, -0.0001488600000000, -0.0025472700000000 ] - [ -0.0002903600000000, 0.0001579000000000, -0.0004717200000000 ] - [ 0.0003233400000000, 0.0002063700000000, 0.0014474000000000 ] - [ -0.0000242600000000, -0.0000803600000000, 0.0005680800000000 ] - [ -0.0038092800000000, 0.0004430100000000, -0.0070103000000000 ] - [ 0.0002291800000000, 0.0001202200000000, -0.0000985100000000 ] - [ -0.0005224600000000, -0.0004154500000000, 0.0018725700000000 ] - [ 0.0000944600000000, 0.0002061500000000, 0.0003289000000000 ] - [ -0.0000096800000000, 0.0051347000000000, 0.0001566800000000 ] - [ 0.0001300900000000, -0.0010732900000000, 0.0001506800000000 ] - [ 0.0002835200000000, -0.0026073800000000, 0.0018000600000000 ] - [ -0.0003906300000000, 0.0009787800000000, 0.0003688000000000 ] - [ -0.0001958000000000, -0.0003056400000000, -0.0002954500000000 ] - [ -0.0001377600000000, -0.0000970000000000, -0.0002088500000000 ] - [ -0.0000976100000000, -0.0001003400000000, 0.0000458300000000 ] - [ -0.0001544300000000, -0.0000914100000000, -0.0000723400000000 ] - [ -0.0000988900000000, -0.0001761700000000, -0.0012894400000000 ] - [ 0.0000954600000000, 0.0000289300000000, -0.0003442500000000 ] - [ 0.0003082000000000, 0.0002916100000000, 0.0007263600000000 ] - [ 0.0002528600000000, 0.0002746700000000, 0.0001218300000000 ] - [ -0.0002505900000000, 0.0003808900000000, -0.0002890400000000 ] - [ -0.0001298800000000, 0.0000228000000000, -0.0002314400000000 ] - [ -0.0000597600000000, -0.0000932500000000, -0.0000306500000000 ] - [ -0.0001886900000000, 0.0002961500000000, 0.0000160500000000 ] - [ -0.0000784700000000, 0.0002631800000000, -0.0003173100000000 ] - [ -0.0000723200000000, -0.0001397600000000, -0.0008633900000000 ] - [ 0.0002943100000000, -0.0003982000000000, 0.0003968700000000 ] - [ 0.0002859300000000, -0.0001690800000000, 0.0004890800000000 ] - [ 0.0007109800000000, 0.0007773700000000, -0.0006974800000000 ] - [ -0.0001885700000000, -0.0000828500000000, -0.0004874000000000 ] - [ -0.0002151700000000, -0.0001512100000000, 0.0001529700000000 ] - [ -0.0002313700000000, 0.0000898300000000, -0.0000848400000000 ] - [ 0.0013405300000000, 0.0020219000000000, -0.0118294600000000 ] - [ -0.0001364900000000, -0.0002930800000000, 0.0000592900000000 ] - [ -0.0013773400000000, -0.0026039300000000, 0.0063165200000000 ] - [ -0.0001795600000000, 0.0000283900000000, 0.0001938100000000 ] - [ 0.0002759300000000, -0.0004499000000000, -0.0054507800000000 ] - [ -0.0001096200000000, -0.0002479900000000, -0.0004974700000000 ] - [ -0.0003968900000000, 0.0000028400000000, 0.0017737400000000 ] - [ -0.0002942200000000, 0.0000968500000000, 0.0009071000000000 ] - [ -0.0013075100000000, 0.0003019100000000, 0.0001721700000000 ] - [ 0.0001237900000000, -0.0000511800000000, 0.0002083800000000 ] - [ 0.0013305500000000, -0.0003126000000000, 0.0006959200000000 ] - [ 0.0003125100000000, 0.0001070400000000, 0.0003717400000000 ] - [ 0.0044737700000000, 0.0025750500000000, -0.0002252900000000 ] - [ 0.0005178300000000, -0.0001316000000000, -0.0004037000000000 ] - [ -0.0023420100000000, -0.0009049400000000, 0.0014907300000000 ] - [ -0.0000154400000000, 0.0001386000000000, -0.0001556200000000 ] - [ 0.0031797200000000, 0.0060493000000000, -0.0084977500000000 ] - [ 0.0000390300000000, 0.0001415300000000, -0.0001747900000000 ] - [ 0.0014853100000000, 0.0023086900000000, 0.0056802600000000 ] - [ 0.0001970800000000, -0.0001279900000000, 0.0004796300000000 ] - [ -0.0007659100000000, -0.0025406800000000, 0.0049286700000000 ] - [ -0.0001278300000000, 0.0002348400000000, 0.0007664400000000 ] - [ 0.0004097000000000, 0.0006396500000000, -0.0020316200000000 ] - [ 0.0001664700000000, -0.0002951100000000, -0.0008651300000000 ] - [ 0.0021381800000000, -0.0014435400000000, 0.0017423100000000 ] - [ 0.0002888800000000, 0.0004100400000000, 0.0008564700000000 ] - [ -0.0001961400000000, 0.0002888600000000, -0.0019360200000000 ] - [ -0.0001692400000000, -0.0002740800000000, -0.0007532900000000 ] - [ 0.0009976000000000, -0.0000048800000000, 0.0014325000000000 ] - [ 0.0000157200000000, 0.0000617500000000, 0.0004878300000000 ] - [ -0.0008220000000000, 0.0001342900000000, -0.0008032700000000 ] - [ -0.0000725600000000, -0.0001704300000000, -0.0001976900000000 ] - [ -0.0084503500000000, -0.0146818800000000, -0.0102809100000000 ] - [ -0.0006341000000000, 0.0007333800000000, -0.0005449800000000 ] - [ 0.0057837500000000, 0.0104598200000000, -0.0099129800000000 ] - [ 0.0004619300000000, -0.0006952100000000, 0.0001690500000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030542300000000, -0.0026711700000000, 0.0005415500000000 ] - [ 0.0002163800000000, 0.0001104600000000, -0.0001455000000000 ] - [ -0.0002285100000000, -0.0002683800000000, -0.0004485400000000 ] - [ -0.0000939100000000, -0.0000817800000000, -0.0002501700000000 ] - [ -0.0008703400000000, 0.0001066400000000, 0.0010415900000000 ] - [ 0.0000331400000000, 0.0001809600000000, -0.0000009100000000 ] - [ -0.0014384700000000, -0.0018520000000000, -0.0038368300000000 ] - [ -0.0000825400000000, 0.0002284100000000, -0.0005426300000000 ] - [ 0.0001837600000000, 0.0000412500000000, 0.0002177600000000 ] - [ 0.0012014200000000, -0.0003508000000000, 0.0001035000000000 ] - [ 0.0001877300000000, 0.0000122800000000, 0.0001955600000000 ] - [ 0.0010212900000000, -0.0000876300000000, 0.0003166200000000 ] - [ 0.0038978800000000, -0.0038827800000000, 0.0006610800000000 ] - [ -0.0000333900000000, 0.0002567400000000, 0.0001939500000000 ] - [ 0.0000739600000000, -0.0003148700000000, -0.0001249900000000 ] - [ -0.0000418800000000, 0.0002105400000000, 0.0002131800000000 ] - [ 0.0012014200000000, 0.0003508000000000, 0.0001035000000000 ] - [ 0.0001837600000000, -0.0000412500000000, 0.0002177600000000 ] - [ 0.0010212900000000, 0.0000876300000000, 0.0003166200000000 ] - [ 0.0001877300000000, -0.0000122800000000, 0.0001955600000000 ] - [ 0.0038978800000000, 0.0038827800000000, 0.0006610800000000 ] - [ -0.0000333900000000, -0.0002567400000000, 0.0001939500000000 ] - [ 0.0000739600000000, 0.0003148700000000, -0.0001249900000000 ] - [ -0.0000418800000000, -0.0002105400000000, 0.0002131800000000 ] - [ 0.0030542300000000, 0.0026711700000000, 0.0005415500000000 ] - [ 0.0002163800000000, -0.0001104600000000, -0.0001455000000000 ] - [ -0.0002285100000000, 0.0002683800000000, -0.0004485400000000 ] - [ -0.0000939100000000, 0.0000817800000000, -0.0002501700000000 ] - [ 0.0000331400000000, -0.0001809600000000, -0.0000009100000000 ] - [ -0.0008703400000000, -0.0001066400000000, 0.0010415900000000 ] - [ -0.0000825400000000, -0.0002284100000000, -0.0005426300000000 ] - [ -0.0014384700000000, 0.0018520000000000, -0.0038368300000000 ] - [ -0.0506640400000000, 0.0000000000000000, 0.0121419100000000 ] - [ -0.0003005700000000, 0.0000000000000000, 0.0000521300000000 ] - [ -0.0005207100000000, 0.0000000000000000, -0.0000048700000000 ] - [ -0.0000161200000000, 0.0000000000000000, 0.0001184800000000 ] - [ 0.0002696500000000, -0.0002758500000000, 0.0002221500000000 ] - [ 0.0002696500000000, 0.0002758500000000, 0.0002221500000000 ] - [ 0.0002727700000000, -0.0003628600000000, -0.0000552000000000 ] - [ 0.0002727700000000, 0.0003628600000000, -0.0000552000000000 ] - [ -0.0005694500000000, 0.0008547900000000, -0.0001399400000000 ] - [ -0.0005694500000000, -0.0008547900000000, -0.0001399400000000 ] - [ -0.0004138600000000, 0.0007824900000000, -0.0000020800000000 ] - [ -0.0004138600000000, -0.0007824900000000, -0.0000020800000000 ] - [ 0.0015872600000000, 0.0000000000000000, 0.0002407200000000 ] - [ 0.0001963400000000, 0.0000000000000000, -0.0000858900000000 ] - [ 0.0006085800000000, 0.0000000000000000, -0.0002760300000000 ] - [ 0.0001565200000000, 0.0000000000000000, -0.0001083900000000 ] - [ 0.0209693500000000, 0.0000000000000000, -0.0044476500000000 ] - [ 0.0003378400000000, 0.0000000000000000, -0.0001513200000000 ] - [ 0.0005025900000000, 0.0000000000000000, -0.0005649300000000 ] - [ 0.0002385800000000, 0.0000000000000000, -0.0000472800000000 ] - [ 0.0008499100000000, 0.0019953300000000, -0.0000385900000000 ] - [ 0.0091716200000000, 0.0025300300000000, -0.0005428300000000 ] - [ 0.0004031300000000, -0.0003241400000000, 0.0000641300000000 ] - [ 0.0007215800000000, 0.0001359800000000, 0.0001998900000000 ] - [ -0.0005874400000000, -0.0001494800000000, -0.0000834800000000 ] - [ -0.0005874400000000, 0.0001494800000000, -0.0000834800000000 ] - [ -0.0007187100000000, -0.0001489800000000, -0.0001707300000000 ] - [ -0.0007187100000000, 0.0001489800000000, -0.0001707300000000 ] - [ 0.0014836200000000, 0.0007588200000000, -0.0016355200000000 ] - [ 0.0014836200000000, -0.0007588200000000, -0.0016355200000000 ] - [ 0.0004812100000000, -0.0001068200000000, 0.0005930800000000 ] - [ 0.0004812100000000, 0.0001068200000000, 0.0005930800000000 ] - [ 0.0091716200000000, -0.0025300300000000, -0.0005428300000000 ] - [ 0.0008499100000000, -0.0019953300000000, -0.0000385900000000 ] - [ 0.0007215800000000, -0.0001359800000000, 0.0001998900000000 ] - [ 0.0004031300000000, 0.0003241400000000, 0.0000641300000000 ] - [ -0.0012593600000000, 0.0000463700000000, -0.0011193100000000 ] - [ -0.0003300900000000, 0.0002607100000000, -0.0000323000000000 ] - [ -0.0007591800000000, -0.0003367400000000, 0.0014188100000000 ] - [ -0.0002803800000000, 0.0002360300000000, 0.0002407600000000 ] - [ -0.0011703500000000, -0.0025601500000000, 0.0036909600000000 ] - [ -0.0000251200000000, 0.0000651700000000, -0.0001929600000000 ] - [ -0.0007833900000000, -0.0007902600000000, -0.0019091800000000 ] - [ -0.0000672300000000, 0.0000592200000000, -0.0001458100000000 ] - [ -0.0014673000000000, -0.0008160200000000, -0.0004089800000000 ] - [ -0.0001975200000000, 0.0003398500000000, -0.0001626600000000 ] - [ -0.0005621500000000, -0.0001717300000000, -0.0001035100000000 ] - [ -0.0000261000000000, 0.0002529700000000, -0.0001322500000000 ] - [ -0.0011703500000000, 0.0025601500000000, 0.0036909600000000 ] - [ -0.0000251200000000, -0.0000651700000000, -0.0001929600000000 ] - [ -0.0007833900000000, 0.0007902600000000, -0.0019091800000000 ] - [ -0.0000672300000000, -0.0000592200000000, -0.0001458100000000 ] - [ -0.0001975200000000, -0.0003398500000000, -0.0001626600000000 ] - [ -0.0014673000000000, 0.0008160200000000, -0.0004089800000000 ] - [ -0.0000261000000000, -0.0002529700000000, -0.0001322500000000 ] - [ -0.0005621500000000, 0.0001717300000000, -0.0001035100000000 ] - [ 0.0032427800000000, -0.0010655700000000, -0.0000731200000000 ] - [ 0.0032427800000000, 0.0010655700000000, -0.0000731200000000 ] - [ 0.0004228900000000, -0.0004257800000000, -0.0000323300000000 ] - [ 0.0004228900000000, 0.0004257800000000, -0.0000323300000000 ] - [ -0.0012593600000000, -0.0000463700000000, -0.0011193100000000 ] - [ -0.0003300900000000, -0.0002607100000000, -0.0000323000000000 ] - [ -0.0007591800000000, 0.0003367400000000, 0.0014188100000000 ] - [ -0.0002803800000000, -0.0002360300000000, 0.0002407600000000 ] - [ -0.0015034400000000, 0.0002183400000000, 0.0003600200000000 ] - [ -0.0015034400000000, -0.0002183400000000, 0.0003600200000000 ] - [ -0.0007211500000000, 0.0000912100000000, 0.0004622000000000 ] - [ -0.0007211500000000, -0.0000912100000000, 0.0004622000000000 ] - [ 0.0049293700000000, 0.0000000000000000, 0.0030560900000000 ] - [ 0.0005213300000000, 0.0000000000000000, 0.0001782400000000 ] - [ 0.0069280400000000, 0.0000000000000000, 0.0001779000000000 ] - [ 0.0006154800000000, 0.0000000000000000, 0.0005066900000000 ] - [ -0.0014228500000000, 0.0000000000000000, -0.0002085200000000 ] - [ -0.0000424000000000, 0.0000000000000000, -0.0002730800000000 ] - [ -0.0016898300000000, 0.0000000000000000, 0.0007512300000000 ] - [ -0.0000736200000000, 0.0000000000000000, -0.0001937000000000 ] - [ -0.0032149000000000, 0.0000000000000000, 0.0019721100000000 ] - [ -0.0000936100000000, 0.0000000000000000, 0.0001949100000000 ] - [ -0.0002676300000000, 0.0000000000000000, -0.0003391500000000 ] - [ 0.0000334200000000, 0.0000000000000000, -0.0000068400000000 ] - [ -0.0072659000000000, -0.0039278100000000, 0.0018691700000000 ] - [ -0.0072659000000000, 0.0039278100000000, 0.0018691700000000 ] - [ -0.0008235600000000, 0.0003904900000000, -0.0004135200000000 ] - [ -0.0008235600000000, -0.0003904900000000, -0.0004135200000000 ] - [ 0.0018272800000000, 0.0008917500000000, 0.0002682900000000 ] - [ 0.0018272800000000, -0.0008917500000000, 0.0002682900000000 ] - [ 0.0009013300000000, 0.0004384500000000, 0.0000810600000000 ] - [ 0.0009013300000000, -0.0004384500000000, 0.0000810600000000 ] - [ -0.0003187400000000, 0.0000000000000000, -0.0173417500000000 ] - [ -0.0005676600000000, 0.0000000000000000, 0.0002668100000000 ] - [ 0.0010945500000000, 0.0000000000000000, 0.0073752900000000 ] - [ -0.0005677200000000, 0.0000000000000000, 0.0000623100000000 ] - [ 0.0023525200000000, 0.0000000000000000, 0.0010231700000000 ] - [ 0.0004041500000000, 0.0000000000000000, 0.0000753700000000 ] - [ 0.0026769400000000, 0.0000000000000000, -0.0042939600000000 ] - [ 0.0004137800000000, 0.0000000000000000, -0.0002728700000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032061800000000, 0.0025575100000000, -0.0009750800000000 ] - [ -0.0003389000000000, -0.0002710000000000, -0.0002774600000000 ] - [ 0.0001029200000000, 0.0001106800000000, 0.0000291900000000 ] - [ -0.0000303300000000, -0.0000779000000000, -0.0001707600000000 ] - [ 0.0010098200000000, 0.0000545200000000, -0.0014607300000000 ] - [ 0.0000994300000000, -0.0000221300000000, -0.0004193700000000 ] - [ 0.0016025700000000, 0.0020136700000000, 0.0034104100000000 ] - [ 0.0002108200000000, -0.0000680300000000, 0.0001159600000000 ] - [ -0.0000557300000000, -0.0001995100000000, 0.0002027900000000 ] - [ -0.0010765500000000, 0.0001904300000000, 0.0003155500000000 ] - [ -0.0000629200000000, -0.0001698500000000, 0.0002283500000000 ] - [ -0.0008989600000000, -0.0000749100000000, 0.0001062800000000 ] - [ -0.0039883900000000, 0.0040039600000000, -0.0002471200000000 ] - [ -0.0000979200000000, -0.0000980600000000, 0.0002271600000000 ] - [ -0.0002086800000000, 0.0004763700000000, 0.0005485000000000 ] - [ -0.0000913000000000, -0.0000512100000000, 0.0002108500000000 ] - [ -0.0010765500000000, -0.0001904300000000, 0.0003155500000000 ] - [ -0.0000557300000000, 0.0001995100000000, 0.0002027900000000 ] - [ -0.0008989600000000, 0.0000749100000000, 0.0001062800000000 ] - [ -0.0000629200000000, 0.0001698500000000, 0.0002283500000000 ] - [ -0.0039883900000000, -0.0040039600000000, -0.0002471200000000 ] - [ -0.0000979200000000, 0.0000980600000000, 0.0002271600000000 ] - [ -0.0002086800000000, -0.0004763700000000, 0.0005485000000000 ] - [ -0.0000913000000000, 0.0000512100000000, 0.0002108500000000 ] - [ -0.0032061800000000, -0.0025575100000000, -0.0009750800000000 ] - [ -0.0003389000000000, 0.0002710000000000, -0.0002774600000000 ] - [ 0.0001029200000000, -0.0001106800000000, 0.0000291900000000 ] - [ -0.0000303300000000, 0.0000779000000000, -0.0001707600000000 ] - [ 0.0000994300000000, 0.0000221300000000, -0.0004193700000000 ] - [ 0.0010098200000000, -0.0000545200000000, -0.0014607300000000 ] - [ 0.0002108200000000, 0.0000680300000000, 0.0001159600000000 ] - [ 0.0016025700000000, -0.0020136700000000, 0.0034104100000000 ] - [ 0.0495894900000000, 0.0000000000000000, -0.0111688500000000 ] - [ 0.0003964700000000, 0.0000000000000000, 0.0001294000000000 ] - [ 0.0006261000000000, 0.0000000000000000, 0.0001852500000000 ] - [ 0.0001150000000000, 0.0000000000000000, 0.0000685800000000 ] - [ -0.0003703200000000, 0.0002817400000000, -0.0000411400000000 ] - [ -0.0003703200000000, -0.0002817400000000, -0.0000411400000000 ] - [ -0.0003697800000000, 0.0003676700000000, 0.0002377500000000 ] - [ -0.0003697800000000, -0.0003676700000000, 0.0002377500000000 ] - [ 0.0004662700000000, -0.0008547800000000, -0.0000415800000000 ] - [ 0.0004662700000000, 0.0008547800000000, -0.0000415800000000 ] - [ 0.0003094200000000, -0.0007822700000000, -0.0001805100000000 ] - [ 0.0003094200000000, 0.0007822700000000, -0.0001805100000000 ] - [ -0.0014973800000000, 0.0000000000000000, -0.0004327500000000 ] - [ -0.0001003000000000, 0.0000000000000000, -0.0000941800000000 ] - [ -0.0005107700000000, 0.0000000000000000, 0.0000994300000000 ] - [ -0.0000557700000000, 0.0000000000000000, -0.0000708900000000 ] - [ -0.0195033000000000, 0.0000000000000000, 0.0035066100000000 ] - [ -0.0000885000000000, 0.0000000000000000, -0.0000357500000000 ] - [ -0.0002334800000000, 0.0000000000000000, 0.0003854000000000 ] - [ 0.0000071400000000, 0.0000000000000000, -0.0001416800000000 ] - [ -0.0005126400000000, -0.0022444200000000, 0.0002908300000000 ] - [ -0.0088836700000000, -0.0030167900000000, 0.0007832700000000 ] - [ -0.0000739700000000, 0.0000520400000000, 0.0001871500000000 ] - [ -0.0003946400000000, -0.0004063000000000, 0.0000569200000000 ] - [ 0.0003457600000000, 0.0001465000000000, -0.0001160800000000 ] - [ 0.0003457600000000, -0.0001465000000000, -0.0001160800000000 ] - [ 0.0004721800000000, 0.0001435700000000, -0.0000104900000000 ] - [ 0.0004721800000000, -0.0001435700000000, -0.0000104900000000 ] - [ -0.0017229700000000, -0.0007563000000000, 0.0018203500000000 ] - [ -0.0017229700000000, 0.0007563000000000, 0.0018203500000000 ] - [ -0.0007279100000000, 0.0001050400000000, -0.0004001200000000 ] - [ -0.0007279100000000, -0.0001050400000000, -0.0004001200000000 ] - [ -0.0088836700000000, 0.0030167900000000, 0.0007832700000000 ] - [ -0.0005126400000000, 0.0022444200000000, 0.0002908300000000 ] - [ -0.0003946400000000, 0.0004063000000000, 0.0000569200000000 ] - [ -0.0000739700000000, -0.0000520400000000, 0.0001871500000000 ] - [ 0.0009349600000000, 0.0002242400000000, 0.0013846800000000 ] - [ -0.0000069200000000, 0.0000146000000000, 0.0002828500000000 ] - [ 0.0004289300000000, 0.0006137200000000, -0.0011787100000000 ] - [ -0.0000537500000000, 0.0000326800000000, 0.0000159700000000 ] - [ 0.0008357800000000, 0.0022944000000000, -0.0039400200000000 ] - [ -0.0003068400000000, -0.0003373600000000, -0.0000617500000000 ] - [ 0.0004721300000000, 0.0005270500000000, 0.0016354900000000 ] - [ -0.0002600400000000, -0.0003243600000000, -0.0001120500000000 ] - [ 0.0017994400000000, 0.0010833800000000, 0.0001562300000000 ] - [ 0.0005266900000000, -0.0000661000000000, -0.0000884100000000 ] - [ 0.0008920300000000, 0.0004379800000000, -0.0001560300000000 ] - [ 0.0003544100000000, 0.0000162600000000, -0.0001224600000000 ] - [ 0.0008357800000000, -0.0022944000000000, -0.0039400200000000 ] - [ -0.0003068400000000, 0.0003373600000000, -0.0000617500000000 ] - [ 0.0004721300000000, -0.0005270500000000, 0.0016354900000000 ] - [ -0.0002600400000000, 0.0003243600000000, -0.0001120500000000 ] - [ 0.0005266900000000, 0.0000661000000000, -0.0000884100000000 ] - [ 0.0017994400000000, -0.0010833800000000, 0.0001562300000000 ] - [ 0.0003544100000000, -0.0000162600000000, -0.0001224600000000 ] - [ 0.0008920300000000, -0.0004379800000000, -0.0001560300000000 ] - [ -0.0036429300000000, 0.0010634400000000, -0.0004768200000000 ] - [ -0.0036429300000000, -0.0010634400000000, -0.0004768200000000 ] - [ -0.0008377200000000, 0.0004271900000000, -0.0005199000000000 ] - [ -0.0008377200000000, -0.0004271900000000, -0.0005199000000000 ] - [ 0.0009349600000000, -0.0002242400000000, 0.0013846800000000 ] - [ -0.0000069200000000, -0.0000146000000000, 0.0002828500000000 ] - [ 0.0004289300000000, -0.0006137200000000, -0.0011787100000000 ] - [ -0.0000537500000000, -0.0000326800000000, 0.0000159700000000 ] - [ 0.0010863000000000, -0.0002264800000000, 0.0001922400000000 ] - [ 0.0010863000000000, 0.0002264800000000, 0.0001922400000000 ] - [ 0.0003060000000000, -0.0000915300000000, 0.0000897200000000 ] - [ 0.0003060000000000, 0.0000915300000000, 0.0000897200000000 ] - [ -0.0044999600000000, 0.0000000000000000, -0.0025100000000000 ] - [ -0.0000934500000000, 0.0000000000000000, 0.0003760800000000 ] - [ -0.0064877200000000, 0.0000000000000000, 0.0003689000000000 ] - [ -0.0001924700000000, 0.0000000000000000, 0.0000486200000000 ] - [ 0.0018465400000000, 0.0000000000000000, -0.0003436000000000 ] - [ 0.0004638000000000, 0.0000000000000000, -0.0002806200000000 ] - [ 0.0021006700000000, 0.0000000000000000, -0.0013156800000000 ] - [ 0.0004807100000000, 0.0000000000000000, -0.0003569300000000 ] - [ 0.0035029300000000, 0.0000000000000000, -0.0018187900000000 ] - [ 0.0003325100000000, 0.0000000000000000, 0.0000014900000000 ] - [ 0.0005097700000000, 0.0000000000000000, 0.0005389100000000 ] - [ 0.0002102500000000, 0.0000000000000000, 0.0001957600000000 ] - [ 0.0072287600000000, 0.0038718200000000, -0.0020924100000000 ] - [ 0.0072287600000000, -0.0038718200000000, -0.0020924100000000 ] - [ 0.0008362200000000, -0.0003885700000000, 0.0001734200000000 ] - [ 0.0008362200000000, 0.0003885700000000, 0.0001734200000000 ] - [ -0.0018168600000000, -0.0008845900000000, -0.0000372200000000 ] - [ -0.0018168600000000, 0.0008845900000000, -0.0000372200000000 ] - [ -0.0008872000000000, -0.0004359100000000, 0.0001628000000000 ] - [ -0.0008872000000000, 0.0004359100000000, 0.0001628000000000 ] - [ 0.0003252600000000, 0.0000000000000000, 0.0175669500000000 ] - [ 0.0005448000000000, 0.0000000000000000, -0.0000343300000000 ] - [ -0.0012123200000000, 0.0000000000000000, -0.0070827400000000 ] - [ 0.0005443300000000, 0.0000000000000000, 0.0001755200000000 ] - [ -0.0023808700000000, 0.0000000000000000, -0.0012760800000000 ] - [ -0.0004149700000000, 0.0000000000000000, -0.0003074600000000 ] - [ -0.0026962200000000, 0.0000000000000000, 0.0041182100000000 ] - [ -0.0004219100000000, 0.0000000000000000, 0.0000283200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034319200000000, -0.0008399700000000, -0.0008245700000000 ] - [ 0.0008147700000000, 0.0008632800000000, -0.0000542000000000 ] - [ -0.0002413200000000, -0.0003064400000000, -0.0001395600000000 ] - [ 0.0001103100000000, 0.0001583500000000, -0.0002175700000000 ] - [ -0.0003668700000000, -0.0006590300000000, -0.0022322200000000 ] - [ 0.0003763000000000, 0.0010654900000000, 0.0003645600000000 ] - [ -0.0018101100000000, 0.0006547200000000, 0.0056194800000000 ] - [ 0.0001933800000000, 0.0010526700000000, -0.0010204400000000 ] - [ 0.0001278000000000, 0.0001553700000000, 0.0000770800000000 ] - [ 0.0000298300000000, -0.0003141800000000, 0.0003458800000000 ] - [ 0.0001302100000000, 0.0001628100000000, 0.0003066000000000 ] - [ -0.0001148400000000, -0.0003001500000000, 0.0001069700000000 ] - [ -0.0037478500000000, -0.0002657900000000, 0.0004422900000000 ] - [ 0.0006331900000000, 0.0012208700000000, 0.0002613000000000 ] - [ -0.0001400300000000, -0.0001861800000000, 0.0001682200000000 ] - [ 0.0000275000000000, 0.0003493000000000, 0.0001918000000000 ] - [ 0.0000939100000000, -0.0001605700000000, 0.0000745300000000 ] - [ 0.0000017900000000, 0.0003135400000000, 0.0003440400000000 ] - [ 0.0002401700000000, -0.0001443200000000, 0.0003153500000000 ] - [ -0.0000019600000000, 0.0003222900000000, 0.0001173800000000 ] - [ 0.0036417500000000, -0.0004432400000000, -0.0000222800000000 ] - [ -0.0007572400000000, 0.0010578900000000, 0.0001603500000000 ] - [ 0.0000078200000000, -0.0003478200000000, 0.0002560600000000 ] - [ -0.0001581100000000, 0.0001929300000000, 0.0002309800000000 ] - [ 0.0032989400000000, -0.0006715800000000, 0.0004015000000000 ] - [ -0.0009433800000000, 0.0010208700000000, -0.0003678400000000 ] - [ 0.0001128300000000, -0.0001482200000000, -0.0002830200000000 ] - [ -0.0002376400000000, 0.0003154000000000, -0.0002040500000000 ] - [ -0.0002477700000000, 0.0009103500000000, -0.0007893100000000 ] - [ 0.0004988400000000, -0.0008054200000000, 0.0018040000000000 ] - [ -0.0000641500000000, 0.0008971700000000, 0.0005984800000000 ] - [ 0.0019216900000000, 0.0005150500000000, -0.0060018700000000 ] - [ 0.0006661300000000, -0.0489359500000000, 0.0001088500000000 ] - [ 0.0000514600000000, 0.0019862300000000, 0.0000930500000000 ] - [ 0.0000536000000000, -0.0005047500000000, 0.0000912700000000 ] - [ 0.0000498400000000, 0.0005453400000000, 0.0000918700000000 ] - [ -0.0004185600000000, 0.0001267700000000, -0.0002314800000000 ] - [ 0.0003130900000000, 0.0001273600000000, 0.0004145200000000 ] - [ -0.0003306100000000, 0.0001258200000000, 0.0003993700000000 ] - [ 0.0002274700000000, 0.0001278400000000, -0.0002141400000000 ] - [ 0.0008064700000000, 0.0000597200000000, -0.0009077700000000 ] - [ -0.0009038200000000, 0.0000651300000000, 0.0007186500000000 ] - [ 0.0007353500000000, 0.0005221600000000, 0.0011798200000000 ] - [ -0.0008305700000000, 0.0005233300000000, -0.0013525700000000 ] - [ 0.0000523800000000, -0.0005302900000000, -0.0000934200000000 ] - [ 0.0000532700000000, 0.0004920800000000, -0.0000923700000000 ] - [ 0.0000494900000000, -0.0002658600000000, -0.0000914400000000 ] - [ 0.0000509200000000, 0.0002391400000000, -0.0000909300000000 ] - [ 0.0000672600000000, 0.0057313000000000, -0.0000789900000000 ] - [ 0.0001219800000000, -0.0013908100000000, -0.0000932600000000 ] - [ 0.0001290900000000, 0.0005257700000000, -0.0000909300000000 ] - [ 0.0001227200000000, -0.0005716400000000, -0.0000960600000000 ] - [ 0.0007798700000000, -0.0054579300000000, -0.0002199100000000 ] - [ 0.0041708300000000, 0.0087662300000000, -0.0006860000000000 ] - [ 0.0003652000000000, -0.0006845300000000, -0.0000407600000000 ] - [ 0.0000731000000000, 0.0003483700000000, 0.0002168900000000 ] - [ -0.0000447200000000, -0.0000213400000000, 0.0000532300000000 ] - [ -0.0001971000000000, -0.0000243600000000, -0.0002479500000000 ] - [ -0.0000166400000000, -0.0000375600000000, -0.0003886200000000 ] - [ -0.0002278100000000, -0.0000412200000000, 0.0001999000000000 ] - [ -0.0010624500000000, -0.0025114200000000, 0.0040347300000000 ] - [ 0.0008223700000000, -0.0024941400000000, -0.0038241700000000 ] - [ -0.0002545000000000, -0.0003633200000000, -0.0016114400000000 ] - [ 0.0000095000000000, -0.0003648400000000, 0.0017909100000000 ] - [ -0.0042917700000000, 0.0100267700000000, 0.0009140500000000 ] - [ -0.0004312900000000, -0.0052030800000000, 0.0004729700000000 ] - [ 0.0002586500000000, 0.0006278700000000, 0.0000379000000000 ] - [ -0.0000339100000000, -0.0004141700000000, 0.0002918900000000 ] - [ -0.0014017500000000, 0.0017730500000000, -0.0009252500000000 ] - [ 0.0004067600000000, -0.0009776500000000, 0.0005307700000000 ] - [ -0.0013357800000000, 0.0016656900000000, 0.0006546200000000 ] - [ 0.0002989700000000, -0.0008315900000000, 0.0000336900000000 ] - [ -0.0000902000000000, 0.0012221700000000, -0.0005754500000000 ] - [ -0.0001421000000000, -0.0011544000000000, -0.0001676000000000 ] - [ -0.0004429700000000, 0.0016518500000000, -0.0014859300000000 ] - [ -0.0001472300000000, -0.0013860000000000, 0.0003989800000000 ] - [ 0.0000316000000000, 0.0005377700000000, -0.0000610400000000 ] - [ 0.0001711000000000, -0.0003269700000000, -0.0001544600000000 ] - [ 0.0001374600000000, 0.0002947000000000, -0.0001577700000000 ] - [ 0.0001568000000000, -0.0000609500000000, -0.0001486300000000 ] - [ -0.0002363700000000, 0.0014744900000000, 0.0003066700000000 ] - [ -0.0001915700000000, -0.0008820100000000, -0.0000842300000000 ] - [ 0.0001226600000000, 0.0019062500000000, 0.0012282800000000 ] - [ -0.0001825600000000, -0.0011174200000000, -0.0006565500000000 ] - [ 0.0001552700000000, -0.0005949300000000, -0.0000994600000000 ] - [ 0.0003010000000000, 0.0002578500000000, -0.0001900000000000 ] - [ 0.0001699800000000, -0.0003273400000000, -0.0001078400000000 ] - [ 0.0001950300000000, 0.0000185400000000, -0.0000964700000000 ] - [ -0.0035940400000000, -0.0036281000000000, -0.0001727800000000 ] - [ 0.0031605600000000, -0.0035937800000000, -0.0003768300000000 ] - [ -0.0006030500000000, 0.0000128600000000, -0.0004414900000000 ] - [ 0.0001807600000000, 0.0000073800000000, -0.0001135500000000 ] - [ 0.0010765800000000, 0.0015090000000000, 0.0011815800000000 ] - [ -0.0007386200000000, -0.0012507300000000, -0.0002769000000000 ] - [ 0.0010072400000000, 0.0013998600000000, -0.0004016100000000 ] - [ -0.0006265900000000, -0.0011014800000000, 0.0002200500000000 ] - [ 0.0009579200000000, -0.0002277200000000, 0.0002397000000000 ] - [ -0.0013757000000000, -0.0002286000000000, 0.0003142300000000 ] - [ -0.0000511000000000, -0.0000419700000000, 0.0002465700000000 ] - [ -0.0003701900000000, -0.0000446100000000, 0.0003073200000000 ] - [ 0.0002068800000000, 0.0023267000000000, 0.0002619000000000 ] - [ 0.0002132400000000, -0.0011387800000000, 0.0002786400000000 ] - [ 0.0002008700000000, 0.0066817600000000, 0.0002454300000000 ] - [ 0.0002095600000000, -0.0011798400000000, 0.0002759800000000 ] - [ 0.0002141000000000, 0.0008058400000000, -0.0002772500000000 ] - [ 0.0002105100000000, -0.0005492500000000, -0.0002769600000000 ] - [ 0.0002100400000000, 0.0007116100000000, -0.0002760600000000 ] - [ 0.0002082100000000, -0.0004650500000000, -0.0002765700000000 ] - [ 0.0001188400000000, 0.0017349100000000, 0.0000959000000000 ] - [ 0.0001209200000000, -0.0008171400000000, 0.0000973200000000 ] - [ 0.0001215900000000, 0.0008420500000000, 0.0000981300000000 ] - [ 0.0001216300000000, -0.0005226600000000, 0.0000961800000000 ] - [ 0.0035128200000000, 0.0176657100000000, -0.0052333400000000 ] - [ -0.0035893700000000, 0.0175262200000000, 0.0049770400000000 ] - [ -0.0000514500000000, -0.0000102600000000, 0.0010930700000000 ] - [ 0.0000652800000000, -0.0000012200000000, -0.0013231600000000 ] - [ -0.0006948400000000, 0.0000616000000000, 0.0005863400000000 ] - [ 0.0007080100000000, 0.0000713200000000, -0.0003495600000000 ] - [ -0.0001824000000000, 0.0000430100000000, 0.0000175200000000 ] - [ 0.0001975500000000, 0.0000514700000000, 0.0002227900000000 ] - [ -0.0000197700000000, -0.0032473900000000, 0.0001550600000000 ] - [ -0.0000076700000000, 0.0021084200000000, 0.0001149400000000 ] - [ -0.0000404300000000, -0.0043413200000000, 0.0001025500000000 ] - [ -0.0000075800000000, 0.0020735600000000, 0.0001210800000000 ] - [ -0.0000101700000000, -0.0034512000000000, -0.0001199300000000 ] - [ -0.0000074500000000, 0.0019174400000000, -0.0001191100000000 ] - [ -0.0000053700000000, -0.0033870700000000, -0.0001231000000000 ] - [ -0.0000075600000000, 0.0017489200000000, -0.0001210400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007968300000000, -0.0005635200000000, -0.0012911800000000 ] - [ 0.0000171000000000, -0.0000382100000000, -0.0003006300000000 ] - [ -0.0002180800000000, -0.0000462400000000, 0.0004560700000000 ] - [ -0.0001286500000000, -0.0001257800000000, -0.0001140100000000 ] - [ 0.0012429500000000, -0.0020336900000000, 0.0018698400000000 ] - [ 0.0001492600000000, 0.0002601700000000, 0.0000424500000000 ] - [ -0.0032734200000000, 0.0060021600000000, 0.0029195200000000 ] - [ -0.0000187200000000, -0.0000814000000000, -0.0004666800000000 ] - [ 0.0000085800000000, -0.0001469500000000, 0.0002043500000000 ] - [ -0.0005335300000000, 0.0002888100000000, 0.0002296800000000 ] - [ 0.0001377100000000, 0.0000153800000000, 0.0002251700000000 ] - [ 0.0008012400000000, -0.0004176800000000, 0.0003344300000000 ] - [ 0.0000170100000000, 0.0005565200000000, -0.0024919900000000 ] - [ -0.0001228900000000, 0.0000470500000000, 0.0000289900000000 ] - [ 0.0000304900000000, -0.0001882100000000, 0.0016477200000000 ] - [ -0.0000270200000000, 0.0001102700000000, 0.0003924600000000 ] - [ -0.0005335300000000, -0.0002888100000000, 0.0002296800000000 ] - [ 0.0000085800000000, 0.0001469500000000, 0.0002043500000000 ] - [ 0.0008012400000000, 0.0004176800000000, 0.0003344300000000 ] - [ 0.0001377100000000, -0.0000153800000000, 0.0002251700000000 ] - [ 0.0000170100000000, -0.0005565200000000, -0.0024919900000000 ] - [ -0.0001228900000000, -0.0000470500000000, 0.0000289900000000 ] - [ 0.0000304900000000, 0.0001882100000000, 0.0016477200000000 ] - [ -0.0000270200000000, -0.0001102700000000, 0.0003924600000000 ] - [ 0.0007968300000000, 0.0005635200000000, -0.0012911800000000 ] - [ 0.0000171000000000, 0.0000382100000000, -0.0003006300000000 ] - [ -0.0002180800000000, 0.0000462400000000, 0.0004560700000000 ] - [ -0.0001286500000000, 0.0001257800000000, -0.0001140100000000 ] - [ 0.0001492600000000, -0.0002601700000000, 0.0000424500000000 ] - [ 0.0012429500000000, 0.0020336900000000, 0.0018698400000000 ] - [ -0.0000187200000000, 0.0000814000000000, -0.0004666800000000 ] - [ -0.0032734200000000, -0.0060021600000000, 0.0029195200000000 ] - [ 0.0114032500000000, 0.0000000000000000, -0.0388634900000000 ] - [ 0.0000105800000000, 0.0000000000000000, -0.0000647600000000 ] - [ -0.0000431100000000, 0.0000000000000000, 0.0033232400000000 ] - [ 0.0000768000000000, 0.0000000000000000, 0.0002367700000000 ] - [ 0.0000958200000000, -0.0003043000000000, 0.0000886400000000 ] - [ 0.0000958200000000, 0.0003043000000000, 0.0000886400000000 ] - [ -0.0001805500000000, 0.0003241400000000, 0.0000881300000000 ] - [ -0.0001805500000000, -0.0003241400000000, 0.0000881300000000 ] - [ -0.0000999700000000, -0.0008103500000000, 0.0002922200000000 ] - [ -0.0000999700000000, 0.0008103500000000, 0.0002922200000000 ] - [ 0.0000381300000000, 0.0012693900000000, -0.0003233300000000 ] - [ 0.0000381300000000, -0.0012693900000000, -0.0003233300000000 ] - [ -0.0002896100000000, 0.0000000000000000, -0.0006524600000000 ] - [ 0.0000490600000000, 0.0000000000000000, -0.0001591000000000 ] - [ 0.0002372800000000, 0.0000000000000000, 0.0004275800000000 ] - [ 0.0000701500000000, 0.0000000000000000, -0.0000278900000000 ] - [ -0.0058632100000000, 0.0000000000000000, 0.0081089500000000 ] - [ 0.0001657200000000, 0.0000000000000000, 0.0000292800000000 ] - [ -0.0026045500000000, 0.0000000000000000, -0.0056416800000000 ] - [ 0.0001070400000000, 0.0000000000000000, -0.0002388400000000 ] - [ -0.0000222800000000, 0.0002396800000000, 0.0003491200000000 ] - [ 0.0001453200000000, 0.0002258800000000, 0.0060225300000000 ] - [ 0.0003139200000000, -0.0003439500000000, -0.0004030000000000 ] - [ 0.0002394300000000, -0.0003753000000000, -0.0014252100000000 ] - [ -0.0000645300000000, 0.0001360000000000, -0.0006084300000000 ] - [ -0.0000645300000000, -0.0001360000000000, -0.0006084300000000 ] - [ -0.0002491200000000, -0.0001774500000000, 0.0004845500000000 ] - [ -0.0002491200000000, 0.0001774500000000, 0.0004845500000000 ] - [ -0.0005428400000000, 0.0010750500000000, 0.0011167900000000 ] - [ -0.0005428400000000, -0.0010750500000000, 0.0011167900000000 ] - [ 0.0000978000000000, -0.0011741200000000, -0.0010617500000000 ] - [ 0.0000978000000000, 0.0011741200000000, -0.0010617500000000 ] - [ 0.0001453200000000, -0.0002258800000000, 0.0060225300000000 ] - [ -0.0000222800000000, -0.0002396800000000, 0.0003491200000000 ] - [ 0.0002394300000000, 0.0003753000000000, -0.0014252100000000 ] - [ 0.0003139200000000, 0.0003439500000000, -0.0004030000000000 ] - [ -0.0013896500000000, -0.0001441900000000, -0.0005141300000000 ] - [ -0.0002593300000000, 0.0002506400000000, 0.0000330300000000 ] - [ 0.0011121700000000, 0.0004812900000000, 0.0000315600000000 ] - [ -0.0001013100000000, 0.0000287300000000, 0.0002177700000000 ] - [ 0.0019893800000000, 0.0017323800000000, -0.0017430900000000 ] - [ -0.0001415000000000, -0.0002528200000000, -0.0001977100000000 ] - [ -0.0043369500000000, -0.0024857700000000, -0.0001826500000000 ] - [ -0.0001637300000000, 0.0000231600000000, -0.0000548900000000 ] - [ 0.0005350400000000, 0.0005459200000000, 0.0006138700000000 ] - [ 0.0001990700000000, 0.0000685200000000, 0.0000872700000000 ] - [ -0.0000974100000000, -0.0001339300000000, -0.0008231100000000 ] - [ 0.0001166600000000, 0.0001830300000000, -0.0003252200000000 ] - [ 0.0019893800000000, -0.0017323800000000, -0.0017430900000000 ] - [ -0.0001415000000000, 0.0002528200000000, -0.0001977100000000 ] - [ -0.0043369500000000, 0.0024857700000000, -0.0001826500000000 ] - [ -0.0001637300000000, -0.0000231600000000, -0.0000548900000000 ] - [ 0.0001990700000000, -0.0000685200000000, 0.0000872700000000 ] - [ 0.0005350400000000, -0.0005459200000000, 0.0006138700000000 ] - [ 0.0001166600000000, -0.0001830300000000, -0.0003252200000000 ] - [ -0.0000974100000000, 0.0001339300000000, -0.0008231100000000 ] - [ 0.0001654200000000, 0.0000875400000000, 0.0009945500000000 ] - [ 0.0001654200000000, -0.0000875400000000, 0.0009945500000000 ] - [ -0.0004106000000000, -0.0000049500000000, -0.0011505100000000 ] - [ -0.0004106000000000, 0.0000049500000000, -0.0011505100000000 ] - [ -0.0013896500000000, 0.0001441900000000, -0.0005141300000000 ] - [ -0.0002593300000000, -0.0002506400000000, 0.0000330300000000 ] - [ 0.0011121700000000, -0.0004812900000000, 0.0000315600000000 ] - [ -0.0001013100000000, -0.0000287300000000, 0.0002177700000000 ] - [ -0.0002923400000000, 0.0001163000000000, 0.0006127200000000 ] - [ -0.0002923400000000, -0.0001163000000000, 0.0006127200000000 ] - [ -0.0001431200000000, -0.0001001200000000, -0.0000591300000000 ] - [ -0.0001431200000000, 0.0001001200000000, -0.0000591300000000 ] - [ 0.0034322600000000, 0.0000000000000000, -0.0063560300000000 ] - [ 0.0002047700000000, 0.0000000000000000, 0.0001442200000000 ] - [ -0.0032710600000000, 0.0000000000000000, 0.0084790400000000 ] - [ 0.0002741600000000, 0.0000000000000000, 0.0004080300000000 ] - [ 0.0000088400000000, 0.0000000000000000, -0.0003508500000000 ] - [ 0.0001819300000000, 0.0000000000000000, -0.0003064800000000 ] - [ 0.0003226600000000, 0.0000000000000000, -0.0001949300000000 ] - [ 0.0002094600000000, 0.0000000000000000, -0.0002423500000000 ] - [ 0.0005087700000000, 0.0000000000000000, 0.0014926700000000 ] - [ 0.0001010900000000, 0.0000000000000000, 0.0003122100000000 ] - [ -0.0000244600000000, 0.0000000000000000, -0.0010885400000000 ] - [ 0.0001246000000000, 0.0000000000000000, -0.0001110700000000 ] - [ 0.0003128000000000, -0.0025162400000000, -0.0021390700000000 ] - [ 0.0003128000000000, 0.0025162400000000, -0.0021390700000000 ] - [ -0.0001373400000000, 0.0002269700000000, 0.0020219900000000 ] - [ -0.0001373400000000, -0.0002269700000000, 0.0020219900000000 ] - [ -0.0000275900000000, -0.0002384600000000, -0.0008378500000000 ] - [ -0.0000275900000000, 0.0002384600000000, -0.0008378500000000 ] - [ 0.0000763700000000, 0.0002154900000000, 0.0009501500000000 ] - [ 0.0000763700000000, -0.0002154900000000, 0.0009501500000000 ] - [ -0.0128042200000000, 0.0000000000000000, 0.0094885800000000 ] - [ -0.0000192900000000, 0.0000000000000000, 0.0000311600000000 ] - [ 0.0166886700000000, 0.0000000000000000, 0.0098988100000000 ] - [ -0.0000908900000000, 0.0000000000000000, 0.0002346700000000 ] - [ 0.0014370000000000, 0.0000000000000000, 0.0014843600000000 ] - [ 0.0001108500000000, 0.0000000000000000, 0.0001704200000000 ] - [ -0.0019468000000000, 0.0000000000000000, -0.0012443200000000 ] - [ -0.0000797900000000, 0.0000000000000000, -0.0004111300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009122200000000, 0.0004015700000000, 0.0008791300000000 ] - [ -0.0001451800000000, -0.0001199400000000, -0.0001181300000000 ] - [ 0.0000832600000000, -0.0001116900000000, -0.0008772000000000 ] - [ -0.0000017700000000, -0.0000328900000000, -0.0003078100000000 ] - [ -0.0011206800000000, 0.0022206100000000, -0.0023054800000000 ] - [ -0.0000133800000000, -0.0001046800000000, -0.0004582800000000 ] - [ 0.0033753900000000, -0.0057776600000000, -0.0033182800000000 ] - [ 0.0001565600000000, 0.0002381300000000, 0.0000399000000000 ] - [ 0.0001236600000000, -0.0000106900000000, 0.0002195800000000 ] - [ 0.0006641200000000, -0.0004486700000000, 0.0001980600000000 ] - [ -0.0000052500000000, -0.0001718700000000, 0.0002000800000000 ] - [ -0.0006676400000000, 0.0002573800000000, 0.0000918400000000 ] - [ -0.0001749400000000, -0.0003864900000000, 0.0029070300000000 ] - [ -0.0000124800000000, 0.0001073400000000, 0.0003940100000000 ] - [ -0.0001634700000000, 0.0003452700000000, -0.0012230200000000 ] - [ -0.0001086300000000, 0.0000487700000000, 0.0000338400000000 ] - [ 0.0006641200000000, 0.0004486700000000, 0.0001980600000000 ] - [ 0.0001236600000000, 0.0000106900000000, 0.0002195800000000 ] - [ -0.0006676400000000, -0.0002573800000000, 0.0000918400000000 ] - [ -0.0000052500000000, 0.0001718700000000, 0.0002000800000000 ] - [ -0.0001749400000000, 0.0003864900000000, 0.0029070300000000 ] - [ -0.0000124800000000, -0.0001073400000000, 0.0003940100000000 ] - [ -0.0001634700000000, -0.0003452700000000, -0.0012230200000000 ] - [ -0.0001086300000000, -0.0000487700000000, 0.0000338400000000 ] - [ -0.0009122200000000, -0.0004015700000000, 0.0008791300000000 ] - [ -0.0001451800000000, 0.0001199400000000, -0.0001181300000000 ] - [ 0.0000832600000000, 0.0001116900000000, -0.0008772000000000 ] - [ -0.0000017700000000, 0.0000328900000000, -0.0003078100000000 ] - [ -0.0000133800000000, 0.0001046800000000, -0.0004582800000000 ] - [ -0.0011206800000000, -0.0022206100000000, -0.0023054800000000 ] - [ 0.0001565600000000, -0.0002381300000000, 0.0000399000000000 ] - [ 0.0033753900000000, 0.0057776600000000, -0.0033182800000000 ] - [ -0.0118860400000000, 0.0000000000000000, 0.0375633800000000 ] - [ 0.0000869200000000, 0.0000000000000000, 0.0002498100000000 ] - [ 0.0001452400000000, 0.0000000000000000, -0.0031508600000000 ] - [ 0.0000264700000000, 0.0000000000000000, -0.0000477800000000 ] - [ -0.0001993300000000, 0.0003089400000000, 0.0000980300000000 ] - [ -0.0001993300000000, -0.0003089400000000, 0.0000980300000000 ] - [ 0.0000757200000000, -0.0003228100000000, 0.0000992600000000 ] - [ 0.0000757200000000, 0.0003228100000000, 0.0000992600000000 ] - [ -0.0000048300000000, 0.0008151100000000, -0.0004725000000000 ] - [ -0.0000048300000000, -0.0008151100000000, -0.0004725000000000 ] - [ -0.0001453000000000, -0.0012643200000000, 0.0001329900000000 ] - [ -0.0001453000000000, 0.0012643200000000, 0.0001329900000000 ] - [ 0.0003900700000000, 0.0000000000000000, 0.0004692400000000 ] - [ 0.0000581800000000, 0.0000000000000000, -0.0000246700000000 ] - [ -0.0001302800000000, 0.0000000000000000, -0.0006092200000000 ] - [ 0.0000377100000000, 0.0000000000000000, -0.0001551100000000 ] - [ 0.0063773800000000, 0.0000000000000000, -0.0084106600000000 ] - [ 0.0000861400000000, 0.0000000000000000, -0.0002148600000000 ] - [ 0.0028549400000000, 0.0000000000000000, 0.0054544200000000 ] - [ 0.0001367800000000, 0.0000000000000000, 0.0000480500000000 ] - [ 0.0003598300000000, -0.0004905200000000, -0.0001032500000000 ] - [ 0.0002253000000000, -0.0004280800000000, -0.0057523800000000 ] - [ 0.0000141100000000, 0.0000663400000000, 0.0006529400000000 ] - [ 0.0000941100000000, 0.0001164900000000, 0.0016900700000000 ] - [ -0.0001791500000000, -0.0001444300000000, 0.0004085400000000 ] - [ -0.0001791500000000, 0.0001444300000000, 0.0004085400000000 ] - [ 0.0000018300000000, 0.0001717600000000, -0.0006635500000000 ] - [ 0.0000018300000000, -0.0001717600000000, -0.0006635500000000 ] - [ 0.0003024300000000, -0.0010856200000000, -0.0009455200000000 ] - [ 0.0003024300000000, 0.0010856200000000, -0.0009455200000000 ] - [ -0.0003409300000000, 0.0011591900000000, 0.0012638600000000 ] - [ -0.0003409300000000, -0.0011591900000000, 0.0012638600000000 ] - [ 0.0002253000000000, 0.0004280800000000, -0.0057523800000000 ] - [ 0.0003598300000000, 0.0004905200000000, -0.0001032500000000 ] - [ 0.0000941100000000, -0.0001164900000000, 0.0016900700000000 ] - [ 0.0000141100000000, -0.0000663400000000, 0.0006529400000000 ] - [ 0.0010762100000000, 0.0004128600000000, 0.0007709900000000 ] - [ -0.0000758100000000, 0.0000275500000000, 0.0002150600000000 ] - [ -0.0014314100000000, -0.0002103400000000, 0.0002284600000000 ] - [ -0.0002329300000000, 0.0002417600000000, 0.0000451000000000 ] - [ -0.0023403200000000, -0.0020066200000000, 0.0014709200000000 ] - [ -0.0001945800000000, -0.0000215400000000, -0.0000544400000000 ] - [ 0.0039841300000000, 0.0022001700000000, -0.0000620700000000 ] - [ -0.0001655100000000, -0.0002894200000000, -0.0001998800000000 ] - [ -0.0002006400000000, -0.0002713200000000, -0.0008685400000000 ] - [ 0.0001276500000000, 0.0002016900000000, -0.0003338700000000 ] - [ 0.0004262600000000, 0.0004020400000000, 0.0005655700000000 ] - [ 0.0002147400000000, 0.0000892300000000, 0.0000751100000000 ] - [ -0.0023403200000000, 0.0020066200000000, 0.0014709200000000 ] - [ -0.0001945800000000, 0.0000215400000000, -0.0000544400000000 ] - [ 0.0039841300000000, -0.0022001700000000, -0.0000620700000000 ] - [ -0.0001655100000000, 0.0002894200000000, -0.0001998800000000 ] - [ 0.0001276500000000, -0.0002016900000000, -0.0003338700000000 ] - [ -0.0002006400000000, 0.0002713200000000, -0.0008685400000000 ] - [ 0.0002147400000000, -0.0000892300000000, 0.0000751100000000 ] - [ 0.0004262600000000, -0.0004020400000000, 0.0005655700000000 ] - [ -0.0005623800000000, -0.0000662600000000, -0.0015463900000000 ] - [ -0.0005623800000000, 0.0000662600000000, -0.0015463900000000 ] - [ -0.0000100700000000, 0.0000017300000000, 0.0005991700000000 ] - [ -0.0000100700000000, -0.0000017300000000, 0.0005991700000000 ] - [ 0.0010762100000000, -0.0004128600000000, 0.0007709900000000 ] - [ -0.0000758100000000, -0.0000275500000000, 0.0002150600000000 ] - [ -0.0014314100000000, 0.0002103400000000, 0.0002284600000000 ] - [ -0.0002329300000000, -0.0002417600000000, 0.0000451000000000 ] - [ -0.0001250100000000, -0.0001209800000000, -0.0000593000000000 ] - [ -0.0001250100000000, 0.0001209800000000, -0.0000593000000000 ] - [ -0.0002672600000000, 0.0001037200000000, 0.0006132100000000 ] - [ -0.0002672600000000, -0.0001037200000000, 0.0006132100000000 ] - [ -0.0031011600000000, 0.0000000000000000, 0.0069818400000000 ] - [ 0.0002222200000000, 0.0000000000000000, 0.0004112800000000 ] - [ 0.0038609400000000, 0.0000000000000000, -0.0068673700000000 ] - [ 0.0001560500000000, 0.0000000000000000, 0.0001530800000000 ] - [ 0.0004056800000000, 0.0000000000000000, -0.0002032700000000 ] - [ 0.0002450400000000, 0.0000000000000000, -0.0002470500000000 ] - [ 0.0000749600000000, 0.0000000000000000, -0.0003475000000000 ] - [ 0.0002028100000000, 0.0000000000000000, -0.0003055400000000 ] - [ -0.0002708600000000, 0.0000000000000000, -0.0012961700000000 ] - [ 0.0001378200000000, 0.0000000000000000, -0.0001047500000000 ] - [ 0.0002703700000000, 0.0000000000000000, 0.0012915200000000 ] - [ 0.0001240600000000, 0.0000000000000000, 0.0002973400000000 ] - [ -0.0003222400000000, 0.0024657400000000, 0.0019573500000000 ] - [ -0.0003222400000000, -0.0024657400000000, 0.0019573500000000 ] - [ 0.0001566200000000, -0.0002114400000000, -0.0022621000000000 ] - [ 0.0001566200000000, 0.0002114400000000, -0.0022621000000000 ] - [ 0.0000424100000000, 0.0002354800000000, 0.0010695000000000 ] - [ 0.0000424100000000, -0.0002354800000000, 0.0010695000000000 ] - [ -0.0000619300000000, -0.0002113200000000, -0.0007024400000000 ] - [ -0.0000619300000000, 0.0002113200000000, -0.0007024400000000 ] - [ 0.0130204400000000, 0.0000000000000000, -0.0091761300000000 ] - [ 0.0000015500000000, 0.0000000000000000, 0.0002056500000000 ] - [ -0.0166486900000000, 0.0000000000000000, -0.0095591900000000 ] - [ 0.0000655700000000, 0.0000000000000000, 0.0000032700000000 ] - [ -0.0014658500000000, 0.0000000000000000, -0.0017313000000000 ] - [ -0.0001231300000000, 0.0000000000000000, -0.0003943900000000 ] - [ 0.0019330900000000, 0.0000000000000000, 0.0009832600000000 ] - [ 0.0000674100000000, 0.0000000000000000, 0.0001633300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015941100000000, 0.0001397500000000, -0.0002193800000000 ] - [ -0.0006709900000000, -0.0001077800000000, -0.0002288400000000 ] - [ -0.0006015400000000, 0.0000261000000000, -0.0003217900000000 ] - [ -0.0003227400000000, -0.0001060100000000, -0.0002307700000000 ] - [ -0.0018122700000000, 0.0024998900000000, -0.0008467900000000 ] - [ -0.0001137300000000, -0.0002687000000000, -0.0004118000000000 ] - [ -0.0002648900000000, 0.0003294400000000, 0.0006886400000000 ] - [ -0.0000565500000000, -0.0001443500000000, 0.0000309600000000 ] - [ 0.0000777800000000, -0.0004121400000000, 0.0003810100000000 ] - [ -0.0021128500000000, 0.0011642800000000, 0.0015878800000000 ] - [ 0.0002126600000000, -0.0002944600000000, 0.0001116700000000 ] - [ -0.0000340600000000, -0.0000778700000000, -0.0002416100000000 ] - [ 0.0086422600000000, -0.0062161800000000, 0.0034047500000000 ] - [ 0.0005863900000000, 0.0000449700000000, 0.0001305300000000 ] - [ 0.0003984300000000, 0.0000199600000000, 0.0015640500000000 ] - [ 0.0001440200000000, -0.0000526400000000, 0.0002855200000000 ] - [ -0.0021128500000000, -0.0011642800000000, 0.0015878800000000 ] - [ 0.0000777800000000, 0.0004121400000000, 0.0003810100000000 ] - [ -0.0000340600000000, 0.0000778700000000, -0.0002416100000000 ] - [ 0.0002126600000000, 0.0002944600000000, 0.0001116700000000 ] - [ 0.0086422600000000, 0.0062161800000000, 0.0034047500000000 ] - [ 0.0005863900000000, -0.0000449700000000, 0.0001305300000000 ] - [ 0.0003984300000000, -0.0000199600000000, 0.0015640500000000 ] - [ 0.0001440200000000, 0.0000526400000000, 0.0002855200000000 ] - [ -0.0015941100000000, -0.0001397500000000, -0.0002193800000000 ] - [ -0.0006709900000000, 0.0001077800000000, -0.0002288400000000 ] - [ -0.0006015400000000, -0.0000261000000000, -0.0003217900000000 ] - [ -0.0003227400000000, 0.0001060100000000, -0.0002307700000000 ] - [ -0.0001137300000000, 0.0002687000000000, -0.0004118000000000 ] - [ -0.0018122700000000, -0.0024998900000000, -0.0008467900000000 ] - [ -0.0000565500000000, 0.0001443500000000, 0.0000309600000000 ] - [ -0.0002648900000000, -0.0003294400000000, 0.0006886400000000 ] - [ 0.0197081800000000, 0.0000000000000000, -0.0056820000000000 ] - [ 0.0002550200000000, 0.0000000000000000, 0.0001252300000000 ] - [ 0.0004190800000000, 0.0000000000000000, -0.0026458300000000 ] - [ 0.0001595400000000, 0.0000000000000000, 0.0000736800000000 ] - [ -0.0006494100000000, 0.0001068900000000, 0.0002181000000000 ] - [ -0.0006494100000000, -0.0001068900000000, 0.0002181000000000 ] - [ -0.0005199000000000, 0.0000757600000000, 0.0000337600000000 ] - [ -0.0005199000000000, -0.0000757600000000, 0.0000337600000000 ] - [ 0.0015454800000000, -0.0009315100000000, -0.0005126300000000 ] - [ 0.0015454800000000, 0.0009315100000000, -0.0005126300000000 ] - [ 0.0005535600000000, -0.0001332900000000, 0.0001264400000000 ] - [ 0.0005535600000000, 0.0001332900000000, 0.0001264400000000 ] - [ -0.0033243900000000, 0.0000000000000000, -0.0004781100000000 ] - [ -0.0001602400000000, 0.0000000000000000, -0.0000758400000000 ] - [ -0.0003326500000000, 0.0000000000000000, 0.0000542100000000 ] - [ -0.0000357300000000, 0.0000000000000000, -0.0000909800000000 ] - [ -0.0938525300000000, 0.0000000000000000, -0.0012542600000000 ] - [ -0.0003776300000000, 0.0000000000000000, 0.0001288600000000 ] - [ -0.0016670700000000, 0.0000000000000000, -0.0000320600000000 ] - [ -0.0001247900000000, 0.0000000000000000, -0.0001784500000000 ] - [ 0.0001842200000000, -0.0016662800000000, -0.0001013900000000 ] - [ 0.0022652800000000, 0.0043499200000000, -0.0010213700000000 ] - [ -0.0000136500000000, -0.0006346100000000, 0.0001190100000000 ] - [ 0.0002085200000000, 0.0016387900000000, 0.0013238400000000 ] - [ 0.0004295800000000, 0.0003771500000000, -0.0006163800000000 ] - [ 0.0004295800000000, -0.0003771500000000, -0.0006163800000000 ] - [ 0.0004337400000000, 0.0007241900000000, 0.0009433300000000 ] - [ 0.0004337400000000, -0.0007241900000000, 0.0009433300000000 ] - [ -0.0007216800000000, -0.0015158500000000, 0.0005863400000000 ] - [ -0.0007216800000000, 0.0015158500000000, 0.0005863400000000 ] - [ -0.0006415300000000, -0.0004389100000000, -0.0001330100000000 ] - [ -0.0006415300000000, 0.0004389100000000, -0.0001330100000000 ] - [ 0.0022652800000000, -0.0043499200000000, -0.0010213700000000 ] - [ 0.0001842200000000, 0.0016662800000000, -0.0001013900000000 ] - [ 0.0002085200000000, -0.0016387900000000, 0.0013238400000000 ] - [ -0.0000136500000000, 0.0006346100000000, 0.0001190100000000 ] - [ 0.0018348900000000, -0.0000807800000000, 0.0003635900000000 ] - [ 0.0003110600000000, 0.0000100900000000, 0.0001832100000000 ] - [ 0.0006974600000000, -0.0000554300000000, 0.0000848000000000 ] - [ 0.0002201300000000, 0.0000374200000000, 0.0001471200000000 ] - [ -0.0086991100000000, 0.0081090500000000, -0.0174737100000000 ] - [ -0.0006662300000000, -0.0004693500000000, -0.0000102400000000 ] - [ -0.0019600600000000, -0.0002818800000000, 0.0013511100000000 ] - [ -0.0005880000000000, -0.0002121500000000, -0.0001526200000000 ] - [ 0.0040384300000000, 0.0048844100000000, 0.0013655900000000 ] - [ 0.0001879200000000, -0.0012440400000000, -0.0000786500000000 ] - [ 0.0006345800000000, 0.0004400800000000, -0.0004400200000000 ] - [ 0.0001624800000000, -0.0001454600000000, -0.0002482400000000 ] - [ -0.0086991100000000, -0.0081090500000000, -0.0174737100000000 ] - [ -0.0006662300000000, 0.0004693500000000, -0.0000102400000000 ] - [ -0.0019600600000000, 0.0002818800000000, 0.0013511100000000 ] - [ -0.0005880000000000, 0.0002121500000000, -0.0001526200000000 ] - [ 0.0001879200000000, 0.0012440400000000, -0.0000786500000000 ] - [ 0.0040384300000000, -0.0048844100000000, 0.0013655900000000 ] - [ 0.0001624800000000, 0.0001454600000000, -0.0002482400000000 ] - [ 0.0006345800000000, -0.0004400800000000, -0.0004400200000000 ] - [ -0.0026519500000000, -0.0011479800000000, -0.0007132800000000 ] - [ -0.0026519500000000, 0.0011479800000000, -0.0007132800000000 ] - [ -0.0017670900000000, 0.0003022100000000, -0.0009943700000000 ] - [ -0.0017670900000000, -0.0003022100000000, -0.0009943700000000 ] - [ 0.0018348900000000, 0.0000807800000000, 0.0003635900000000 ] - [ 0.0003110600000000, -0.0000100900000000, 0.0001832100000000 ] - [ 0.0006974600000000, 0.0000554300000000, 0.0000848000000000 ] - [ 0.0002201300000000, -0.0000374200000000, 0.0001471200000000 ] - [ 0.0019352700000000, 0.0006535400000000, 0.0001518400000000 ] - [ 0.0019352700000000, -0.0006535400000000, 0.0001518400000000 ] - [ 0.0004891200000000, 0.0000177900000000, 0.0001172600000000 ] - [ 0.0004891200000000, -0.0000177900000000, 0.0001172600000000 ] - [ 0.0055044800000000, 0.0000000000000000, 0.0342673600000000 ] - [ -0.0003326700000000, 0.0000000000000000, 0.0003449700000000 ] - [ -0.0019253900000000, 0.0000000000000000, -0.0025395500000000 ] - [ -0.0002257500000000, 0.0000000000000000, 0.0000387600000000 ] - [ 0.0032162500000000, 0.0000000000000000, -0.0012991000000000 ] - [ 0.0006947900000000, 0.0000000000000000, -0.0004564500000000 ] - [ 0.0013457500000000, 0.0000000000000000, -0.0001817900000000 ] - [ 0.0005625900000000, 0.0000000000000000, -0.0002684600000000 ] - [ 0.0015052400000000, 0.0000000000000000, 0.0001374900000000 ] - [ 0.0005356600000000, 0.0000000000000000, 0.0001473800000000 ] - [ 0.0011755500000000, 0.0000000000000000, 0.0000201400000000 ] - [ 0.0003842800000000, 0.0000000000000000, 0.0001205400000000 ] - [ 0.0023301700000000, 0.0056237900000000, -0.0003189100000000 ] - [ 0.0023301700000000, -0.0056237900000000, -0.0003189100000000 ] - [ 0.0020726100000000, 0.0016437900000000, -0.0001460400000000 ] - [ 0.0020726100000000, -0.0016437900000000, -0.0001460400000000 ] - [ -0.0026597300000000, -0.0038207600000000, -0.0013354200000000 ] - [ -0.0026597300000000, 0.0038207600000000, -0.0013354200000000 ] - [ -0.0008444700000000, -0.0006186500000000, 0.0007184000000000 ] - [ -0.0008444700000000, 0.0006186500000000, 0.0007184000000000 ] - [ 0.0660966900000000, 0.0000000000000000, 0.0018998400000000 ] - [ 0.0011456400000000, 0.0000000000000000, -0.0003141900000000 ] - [ 0.0054322300000000, 0.0000000000000000, -0.0000038500000000 ] - [ 0.0007195000000000, 0.0000000000000000, 0.0002303200000000 ] - [ -0.0042269700000000, 0.0000000000000000, 0.0000257600000000 ] - [ -0.0008229300000000, 0.0000000000000000, -0.0001668100000000 ] - [ -0.0019714900000000, 0.0000000000000000, -0.0001521600000000 ] - [ -0.0007392400000000, 0.0000000000000000, -0.0002376000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014676500000000, -0.0002987100000000, -0.0002017100000000 ] - [ 0.0005415800000000, -0.0000495600000000, -0.0001924800000000 ] - [ 0.0004711500000000, -0.0001855300000000, -0.0001019800000000 ] - [ 0.0001945000000000, -0.0000521900000000, -0.0001925300000000 ] - [ 0.0019404900000000, -0.0023353300000000, 0.0004318800000000 ] - [ 0.0002469500000000, 0.0004266000000000, -0.0000093400000000 ] - [ 0.0003976900000000, -0.0001749000000000, -0.0011183400000000 ] - [ 0.0001890400000000, 0.0003031600000000, -0.0004571900000000 ] - [ 0.0000538800000000, 0.0002548900000000, 0.0000431900000000 ] - [ 0.0022566300000000, -0.0013142500000000, -0.0011386800000000 ] - [ -0.0000824200000000, 0.0001359800000000, 0.0003085300000000 ] - [ 0.0001653300000000, -0.0000790600000000, 0.0006598200000000 ] - [ -0.0087814600000000, 0.0061917700000000, -0.0028501000000000 ] - [ -0.0007160800000000, 0.0001125500000000, 0.0002915200000000 ] - [ -0.0005371800000000, 0.0001334500000000, -0.0011706700000000 ] - [ -0.0002771100000000, 0.0002136700000000, 0.0001355400000000 ] - [ 0.0022566300000000, 0.0013142500000000, -0.0011386800000000 ] - [ 0.0000538800000000, -0.0002548900000000, 0.0000431900000000 ] - [ 0.0001653300000000, 0.0000790600000000, 0.0006598200000000 ] - [ -0.0000824200000000, -0.0001359800000000, 0.0003085300000000 ] - [ -0.0087814600000000, -0.0061917700000000, -0.0028501000000000 ] - [ -0.0007160800000000, -0.0001125500000000, 0.0002915200000000 ] - [ -0.0005371800000000, -0.0001334500000000, -0.0011706700000000 ] - [ -0.0002771100000000, -0.0002136700000000, 0.0001355400000000 ] - [ 0.0014676500000000, 0.0002987100000000, -0.0002017100000000 ] - [ 0.0005415800000000, 0.0000495600000000, -0.0001924800000000 ] - [ 0.0004711500000000, 0.0001855300000000, -0.0001019800000000 ] - [ 0.0001945000000000, 0.0000521900000000, -0.0001925300000000 ] - [ 0.0002469500000000, -0.0004266000000000, -0.0000093400000000 ] - [ 0.0019404900000000, 0.0023353300000000, 0.0004318800000000 ] - [ 0.0001890400000000, -0.0003031600000000, -0.0004571900000000 ] - [ 0.0003976900000000, 0.0001749000000000, -0.0011183400000000 ] - [ -0.0207652300000000, 0.0000000000000000, 0.0065678400000000 ] - [ -0.0001628400000000, 0.0000000000000000, 0.0000534000000000 ] - [ -0.0003191200000000, 0.0000000000000000, 0.0028115300000000 ] - [ -0.0000648300000000, 0.0000000000000000, 0.0001078200000000 ] - [ 0.0005449200000000, -0.0001058000000000, -0.0000300100000000 ] - [ 0.0005449200000000, 0.0001058000000000, -0.0000300100000000 ] - [ 0.0004181200000000, -0.0000774800000000, 0.0001485500000000 ] - [ 0.0004181200000000, 0.0000774800000000, 0.0001485500000000 ] - [ -0.0016587500000000, 0.0009522800000000, 0.0003321300000000 ] - [ -0.0016587500000000, -0.0009522800000000, 0.0003321300000000 ] - [ -0.0006539100000000, 0.0001294600000000, -0.0003126600000000 ] - [ -0.0006539100000000, -0.0001294600000000, -0.0003126600000000 ] - [ 0.0033952600000000, 0.0000000000000000, 0.0002956400000000 ] - [ 0.0002635700000000, 0.0000000000000000, -0.0001096900000000 ] - [ 0.0004403700000000, 0.0000000000000000, -0.0002393900000000 ] - [ 0.0001407200000000, 0.0000000000000000, -0.0000921500000000 ] - [ 0.0955582700000000, 0.0000000000000000, -0.0012782300000000 ] - [ 0.0006239600000000, 0.0000000000000000, -0.0003179100000000 ] - [ 0.0019171100000000, 0.0000000000000000, -0.0001258400000000 ] - [ 0.0003688700000000, 0.0000000000000000, -0.0000035600000000 ] - [ 0.0001520000000000, 0.0014042900000000, 0.0003516000000000 ] - [ -0.0019572100000000, -0.0046546300000000, 0.0012893900000000 ] - [ 0.0003463000000000, 0.0003623000000000, 0.0001370400000000 ] - [ 0.0001255700000000, -0.0019072400000000, -0.0010637300000000 ] - [ -0.0006803000000000, -0.0003830600000000, 0.0004239700000000 ] - [ -0.0006803000000000, 0.0003830600000000, 0.0004239700000000 ] - [ -0.0006763400000000, -0.0007202400000000, -0.0011175600000000 ] - [ -0.0006763400000000, 0.0007202400000000, -0.0011175600000000 ] - [ 0.0004856000000000, 0.0015180000000000, -0.0004118600000000 ] - [ 0.0004856000000000, -0.0015180000000000, -0.0004118600000000 ] - [ 0.0003996700000000, 0.0004375800000000, 0.0003260300000000 ] - [ 0.0003996700000000, -0.0004375800000000, 0.0003260300000000 ] - [ -0.0019572100000000, 0.0046546300000000, 0.0012893900000000 ] - [ 0.0001520000000000, -0.0014042900000000, 0.0003516000000000 ] - [ 0.0001255700000000, 0.0019072400000000, -0.0010637300000000 ] - [ 0.0003463000000000, -0.0003623000000000, 0.0001370400000000 ] - [ -0.0021629200000000, 0.0003488300000000, -0.0001117800000000 ] - [ -0.0006418300000000, 0.0002637900000000, 0.0000685400000000 ] - [ -0.0010259900000000, 0.0003215600000000, 0.0001757200000000 ] - [ -0.0005519900000000, 0.0002325500000000, 0.0001120000000000 ] - [ 0.0082674400000000, -0.0083406100000000, 0.0172636300000000 ] - [ 0.0003352800000000, 0.0002015600000000, -0.0002458800000000 ] - [ 0.0016333700000000, 0.0000218900000000, -0.0015883600000000 ] - [ 0.0002560100000000, -0.0000560800000000, -0.0001029400000000 ] - [ -0.0036767500000000, -0.0045653300000000, -0.0016152400000000 ] - [ 0.0001400700000000, 0.0015050100000000, -0.0001773600000000 ] - [ -0.0003142500000000, -0.0001773200000000, 0.0001940100000000 ] - [ 0.0001663600000000, 0.0004181100000000, -0.0000035100000000 ] - [ 0.0082674400000000, 0.0083406100000000, 0.0172636300000000 ] - [ 0.0003352800000000, -0.0002015600000000, -0.0002458800000000 ] - [ 0.0016333700000000, -0.0000218900000000, -0.0015883600000000 ] - [ 0.0002560100000000, 0.0000560800000000, -0.0001029400000000 ] - [ 0.0001400700000000, -0.0015050100000000, -0.0001773600000000 ] - [ -0.0036767500000000, 0.0045653300000000, -0.0016152400000000 ] - [ 0.0001663600000000, -0.0004181100000000, -0.0000035100000000 ] - [ -0.0003142500000000, 0.0001773200000000, 0.0001940100000000 ] - [ 0.0022514800000000, 0.0011414500000000, 0.0001546800000000 ] - [ 0.0022514800000000, -0.0011414500000000, 0.0001546800000000 ] - [ 0.0013616300000000, -0.0003083400000000, 0.0004532800000000 ] - [ 0.0013616300000000, 0.0003083400000000, 0.0004532800000000 ] - [ -0.0021629200000000, -0.0003488300000000, -0.0001117800000000 ] - [ -0.0006418300000000, -0.0002637900000000, 0.0000685400000000 ] - [ -0.0010259900000000, -0.0003215600000000, 0.0001757200000000 ] - [ -0.0005519900000000, -0.0002325500000000, 0.0001120000000000 ] - [ -0.0023439000000000, -0.0006473200000000, 0.0003976000000000 ] - [ -0.0023439000000000, 0.0006473200000000, 0.0003976000000000 ] - [ -0.0009093500000000, -0.0000174100000000, 0.0004371200000000 ] - [ -0.0009093500000000, 0.0000174100000000, 0.0004371200000000 ] - [ -0.0051732000000000, 0.0000000000000000, -0.0340902600000000 ] - [ 0.0007564100000000, 0.0000000000000000, 0.0002069700000000 ] - [ 0.0023388500000000, 0.0000000000000000, 0.0031106700000000 ] - [ 0.0006477900000000, 0.0000000000000000, 0.0005145400000000 ] - [ -0.0028031900000000, 0.0000000000000000, 0.0007369900000000 ] - [ -0.0002729600000000, 0.0000000000000000, -0.0000984400000000 ] - [ -0.0009369700000000, 0.0000000000000000, -0.0003609800000000 ] - [ -0.0001476600000000, 0.0000000000000000, -0.0002800300000000 ] - [ -0.0012608900000000, 0.0000000000000000, 0.0000482200000000 ] - [ -0.0002923800000000, 0.0000000000000000, 0.0000431000000000 ] - [ -0.0009327300000000, 0.0000000000000000, 0.0001684100000000 ] - [ -0.0001391600000000, 0.0000000000000000, 0.0000647500000000 ] - [ -0.0023451600000000, -0.0056537400000000, 0.0000952600000000 ] - [ -0.0023451600000000, 0.0056537400000000, 0.0000952600000000 ] - [ -0.0020701800000000, -0.0016410200000000, -0.0000997700000000 ] - [ -0.0020701800000000, 0.0016410200000000, -0.0000997700000000 ] - [ 0.0026686500000000, 0.0038031500000000, 0.0015627600000000 ] - [ 0.0026686500000000, -0.0038031500000000, 0.0015627600000000 ] - [ 0.0008703600000000, 0.0006284800000000, -0.0004813600000000 ] - [ 0.0008703600000000, -0.0006284800000000, -0.0004813600000000 ] - [ -0.0661063300000000, 0.0000000000000000, -0.0000508400000000 ] - [ -0.0011662000000000, 0.0000000000000000, 0.0005535000000000 ] - [ -0.0054488100000000, 0.0000000000000000, 0.0001879200000000 ] - [ -0.0007359600000000, 0.0000000000000000, 0.0000019400000000 ] - [ 0.0042112600000000, 0.0000000000000000, -0.0002629300000000 ] - [ 0.0008095300000000, 0.0000000000000000, -0.0000631500000000 ] - [ 0.0019606000000000, 0.0000000000000000, -0.0000929100000000 ] - [ 0.0007266800000000, 0.0000000000000000, -0.0000043900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004798700000000, 0.0005659600000000, -0.0000721300000000 ] - [ -0.0003809500000000, -0.0006796300000000, -0.0002629500000000 ] - [ -0.0000271700000000, 0.0002212000000000, -0.0002019100000000 ] - [ -0.0001310700000000, -0.0003830900000000, -0.0002323700000000 ] - [ 0.0007285800000000, 0.0008481000000000, 0.0006241000000000 ] - [ -0.0001742500000000, -0.0006752400000000, -0.0005350500000000 ] - [ 0.0003103000000000, 0.0006588600000000, -0.0009559300000000 ] - [ -0.0000965100000000, -0.0004842800000000, 0.0001910700000000 ] - [ -0.0001181400000000, -0.0007907700000000, 0.0003682700000000 ] - [ 0.0028371700000000, 0.0003119500000000, 0.0000717500000000 ] - [ 0.0000252700000000, -0.0005383500000000, 0.0001268200000000 ] - [ 0.0003547200000000, 0.0003707000000000, 0.0004194300000000 ] - [ -0.0061578000000000, 0.0176324700000000, -0.0056993000000000 ] - [ -0.0005774300000000, -0.0013791700000000, 0.0000709900000000 ] - [ -0.0003447200000000, 0.0005511800000000, -0.0021131700000000 ] - [ -0.0000783400000000, -0.0005338100000000, 0.0003330300000000 ] - [ -0.0026970000000000, 0.0004735300000000, 0.0003589600000000 ] - [ 0.0002466800000000, -0.0006356800000000, 0.0000572000000000 ] - [ -0.0002281900000000, 0.0005273600000000, -0.0000008500000000 ] - [ 0.0001026100000000, -0.0003811200000000, 0.0002934600000000 ] - [ 0.0065168000000000, 0.0182244300000000, 0.0066956600000000 ] - [ 0.0004394100000000, -0.0015306100000000, 0.0003520200000000 ] - [ 0.0002174500000000, 0.0003963300000000, 0.0025108600000000 ] - [ -0.0000534900000000, -0.0006932100000000, 0.0000884800000000 ] - [ -0.0006078700000000, 0.0007214800000000, -0.0003464800000000 ] - [ 0.0002537300000000, -0.0005235000000000, -0.0001587400000000 ] - [ -0.0001039800000000, 0.0003766100000000, -0.0002238600000000 ] - [ 0.0000010000000000, -0.0002246900000000, -0.0001908600000000 ] - [ 0.0003071100000000, -0.0008321300000000, 0.0001151000000000 ] - [ -0.0006094000000000, 0.0006644500000000, -0.0010387200000000 ] - [ 0.0002306000000000, -0.0006415100000000, -0.0006169000000000 ] - [ -0.0001743600000000, 0.0005029300000000, 0.0005281300000000 ] - [ 0.0001020700000000, 0.0057334500000000, 0.0000823700000000 ] - [ 0.0000513000000000, -0.0013937800000000, 0.0000918100000000 ] - [ 0.0000489800000000, 0.0005266600000000, 0.0000752600000000 ] - [ 0.0000505800000000, -0.0005733600000000, 0.0000908600000000 ] - [ -0.0001982400000000, -0.0000380500000000, 0.0002665000000000 ] - [ 0.0000965300000000, -0.0000393700000000, -0.0000797600000000 ] - [ -0.0002001700000000, -0.0000224400000000, -0.0000505900000000 ] - [ 0.0000971400000000, -0.0000225900000000, 0.0002318900000000 ] - [ 0.0007047500000000, -0.0024980400000000, 0.0009985900000000 ] - [ -0.0008118700000000, -0.0025097900000000, -0.0011666400000000 ] - [ -0.0001561000000000, -0.0003680300000000, -0.0012619300000000 ] - [ 0.0000569700000000, -0.0003659600000000, 0.0010679100000000 ] - [ 0.0000518500000000, 0.0017361500000000, -0.0000893300000000 ] - [ 0.0000507500000000, -0.0008182500000000, -0.0000911500000000 ] - [ 0.0000503000000000, 0.0008405500000000, -0.0000938300000000 ] - [ 0.0000514600000000, -0.0005216900000000, -0.0000929600000000 ] - [ -0.0005801100000000, -0.1026360900000000, -0.0013629100000000 ] - [ 0.0001233300000000, 0.0015743600000000, -0.0000957900000000 ] - [ 0.0001190600000000, -0.0019761000000000, -0.0000781200000000 ] - [ 0.0001213800000000, 0.0008123700000000, -0.0000899300000000 ] - [ -0.0014294500000000, 0.0018572700000000, 0.0004762100000000 ] - [ 0.0032836400000000, 0.0003039700000000, -0.0008443300000000 ] - [ -0.0002894700000000, 0.0004075700000000, 0.0001627600000000 ] - [ 0.0005178100000000, -0.0008512000000000, -0.0000214800000000 ] - [ 0.0006006000000000, 0.0005076700000000, -0.0006385700000000 ] - [ -0.0008457200000000, 0.0005117900000000, 0.0004531700000000 ] - [ 0.0002603700000000, 0.0005099300000000, 0.0007425100000000 ] - [ -0.0005031900000000, 0.0005090100000000, -0.0009242600000000 ] - [ -0.0016421700000000, 0.0010030400000000, -0.0008721600000000 ] - [ 0.0013907700000000, 0.0010093400000000, 0.0010388000000000 ] - [ -0.0005606000000000, 0.0000187100000000, 0.0004940000000000 ] - [ 0.0003135000000000, 0.0000217900000000, -0.0002971200000000 ] - [ -0.0029801700000000, 0.0005685000000000, 0.0011030400000000 ] - [ 0.0017476800000000, 0.0021215600000000, -0.0002218700000000 ] - [ -0.0001845100000000, -0.0006004300000000, 0.0002927000000000 ] - [ 0.0006194400000000, 0.0006831500000000, 0.0000905300000000 ] - [ 0.0002806500000000, -0.0009332300000000, 0.0004934100000000 ] - [ -0.0005149900000000, 0.0011330800000000, -0.0001561300000000 ] - [ 0.0001692600000000, -0.0007527100000000, 0.0000925600000000 ] - [ -0.0004168100000000, 0.0009367200000000, 0.0001117100000000 ] - [ 0.0077959300000000, 0.0004261600000000, -0.0300357000000000 ] - [ 0.0001082200000000, 0.0018026500000000, -0.0001924200000000 ] - [ -0.0005095200000000, -0.0024892600000000, 0.0023455400000000 ] - [ -0.0000432200000000, 0.0013730700000000, -0.0007091100000000 ] - [ 0.0035218500000000, 0.0016863700000000, 0.0008483700000000 ] - [ -0.0001437400000000, 0.0013908100000000, -0.0001778400000000 ] - [ 0.0010564300000000, 0.0002903900000000, -0.0008713300000000 ] - [ 0.0001337900000000, 0.0007886000000000, 0.0000759000000000 ] - [ -0.0080051300000000, 0.0007050700000000, 0.0295447200000000 ] - [ -0.0004365900000000, 0.0020674600000000, -0.0000673400000000 ] - [ 0.0001838500000000, -0.0022204800000000, -0.0025792100000000 ] - [ -0.0002831400000000, 0.0016437900000000, 0.0004580600000000 ] - [ 0.0004727300000000, 0.0011236900000000, -0.0000769400000000 ] - [ -0.0031823100000000, 0.0014184100000000, -0.0011070900000000 ] - [ 0.0001953200000000, 0.0005179500000000, -0.0003313200000000 ] - [ -0.0007305700000000, 0.0000237700000000, 0.0006184300000000 ] - [ -0.0027692800000000, 0.0055944400000000, 0.0014980700000000 ] - [ 0.0023290400000000, 0.0055217900000000, -0.0020241200000000 ] - [ -0.0012715700000000, 0.0007022700000000, -0.0011973300000000 ] - [ 0.0008569300000000, 0.0007119000000000, 0.0006526500000000 ] - [ -0.0006010400000000, -0.0012051000000000, -0.0002398000000000 ] - [ 0.0001834900000000, 0.0008647200000000, 0.0004090300000000 ] - [ -0.0004949600000000, -0.0010208600000000, 0.0001641800000000 ] - [ 0.0000892600000000, 0.0006694800000000, 0.0001459600000000 ] - [ 0.0005868900000000, 0.0005582100000000, 0.0002305100000000 ] - [ -0.0010018900000000, 0.0005609700000000, 0.0003208400000000 ] - [ 0.0002697900000000, 0.0001391400000000, 0.0000620300000000 ] - [ -0.0006891600000000, 0.0001398400000000, 0.0004929900000000 ] - [ 0.0002362800000000, -0.0128386000000000, 0.0003674400000000 ] - [ 0.0002106400000000, 0.0010858200000000, 0.0002749600000000 ] - [ 0.0002031600000000, -0.0019418900000000, 0.0002857600000000 ] - [ 0.0002081900000000, 0.0009804400000000, 0.0002780700000000 ] - [ 0.0002088000000000, -0.0013993000000000, -0.0002776800000000 ] - [ 0.0002097400000000, 0.0007791600000000, -0.0002772900000000 ] - [ 0.0002090600000000, -0.0008210500000000, -0.0002756500000000 ] - [ 0.0002081000000000, 0.0006390100000000, -0.0002755900000000 ] - [ 0.0001225800000000, -0.0009505100000000, 0.0000920600000000 ] - [ 0.0001207100000000, 0.0007505100000000, 0.0000937800000000 ] - [ 0.0001226800000000, -0.0006283400000000, 0.0000943800000000 ] - [ 0.0001217700000000, 0.0005767700000000, 0.0000918500000000 ] - [ 0.0061624200000000, -0.0037919600000000, 0.0005379500000000 ] - [ -0.0060921500000000, -0.0037806400000000, -0.0007562900000000 ] - [ 0.0016551800000000, 0.0001177900000000, -0.0001170600000000 ] - [ -0.0016394300000000, 0.0001007100000000, -0.0001333500000000 ] - [ -0.0016240100000000, -0.0026938800000000, -0.0010678400000000 ] - [ 0.0016331000000000, -0.0026900500000000, 0.0013032900000000 ] - [ -0.0007998700000000, -0.0010152800000000, 0.0009175100000000 ] - [ 0.0008181900000000, -0.0010201300000000, -0.0006850700000000 ] - [ 0.0000030700000000, 0.0655931500000000, 0.0009343500000000 ] - [ -0.0000099800000000, -0.0031339900000000, 0.0001239300000000 ] - [ -0.0000055000000000, 0.0059539200000000, 0.0000895900000000 ] - [ -0.0000061400000000, -0.0025074300000000, 0.0001136200000000 ] - [ -0.0000112000000000, 0.0019031900000000, -0.0001185000000000 ] - [ -0.0000077800000000, -0.0017836900000000, -0.0001168300000000 ] - [ -0.0000083800000000, 0.0017341900000000, -0.0001189200000000 ] - [ -0.0000078500000000, -0.0015294300000000, -0.0001199900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004257200000000, 0.0000967600000000, 0.0006686000000000 ] - [ 0.0000827100000000, 0.0001135200000000, 0.0000522800000000 ] - [ -0.0003185500000000, -0.0000856000000000, -0.0009322900000000 ] - [ -0.0001167900000000, -0.0002441900000000, -0.0004396800000000 ] - [ -0.0025275200000000, 0.0034706900000000, 0.0007238100000000 ] - [ -0.0000233400000000, -0.0000603400000000, 0.0000913900000000 ] - [ 0.0012909200000000, -0.0011818400000000, -0.0013102600000000 ] - [ 0.0001567200000000, 0.0001927100000000, -0.0006253500000000 ] - [ 0.0002846600000000, 0.0003001200000000, 0.0007744700000000 ] - [ 0.0037044400000000, -0.0009719400000000, 0.0028249900000000 ] - [ -0.0000517700000000, -0.0002446100000000, -0.0002609500000000 ] - [ -0.0013877800000000, 0.0005020900000000, -0.0011459500000000 ] - [ 0.0022017000000000, -0.0042917000000000, 0.0089171800000000 ] - [ -0.0003715600000000, -0.0006031200000000, 0.0004851000000000 ] - [ -0.0000327900000000, -0.0004640200000000, -0.0053768500000000 ] - [ -0.0000141200000000, 0.0006260900000000, -0.0001757400000000 ] - [ 0.0037044400000000, 0.0009719400000000, 0.0028249900000000 ] - [ 0.0002846600000000, -0.0003001200000000, 0.0007744700000000 ] - [ -0.0013877800000000, -0.0005020900000000, -0.0011459500000000 ] - [ -0.0000517700000000, 0.0002446100000000, -0.0002609500000000 ] - [ 0.0022017000000000, 0.0042917000000000, 0.0089171800000000 ] - [ -0.0003715600000000, 0.0006031200000000, 0.0004851000000000 ] - [ -0.0000327900000000, 0.0004640200000000, -0.0053768500000000 ] - [ -0.0000141200000000, -0.0006260900000000, -0.0001757400000000 ] - [ 0.0004257200000000, -0.0000967600000000, 0.0006686000000000 ] - [ 0.0000827100000000, -0.0001135200000000, 0.0000522800000000 ] - [ -0.0003185500000000, 0.0000856000000000, -0.0009322900000000 ] - [ -0.0001167900000000, 0.0002441900000000, -0.0004396800000000 ] - [ -0.0000233400000000, 0.0000603400000000, 0.0000913900000000 ] - [ -0.0025275200000000, -0.0034706900000000, 0.0007238100000000 ] - [ 0.0001567200000000, -0.0001927100000000, -0.0006253500000000 ] - [ 0.0012909200000000, 0.0011818400000000, -0.0013102600000000 ] - [ -0.0040821600000000, 0.0000000000000000, 0.0084018800000000 ] - [ -0.0000102800000000, 0.0000000000000000, 0.0002097100000000 ] - [ -0.0004254800000000, 0.0000000000000000, -0.0054489100000000 ] - [ 0.0000947900000000, 0.0000000000000000, -0.0000454400000000 ] - [ 0.0000291500000000, 0.0002951900000000, 0.0006619600000000 ] - [ 0.0000291500000000, -0.0002951900000000, 0.0006619600000000 ] - [ -0.0000656800000000, -0.0001493300000000, -0.0004106200000000 ] - [ -0.0000656800000000, 0.0001493300000000, -0.0004106200000000 ] - [ -0.0017726900000000, 0.0039222600000000, 0.0009326700000000 ] - [ -0.0017726900000000, -0.0039222600000000, 0.0009326700000000 ] - [ 0.0004482900000000, -0.0017031400000000, -0.0012522000000000 ] - [ 0.0004482900000000, 0.0017031400000000, -0.0012522000000000 ] - [ -0.0018397500000000, 0.0000000000000000, 0.0013069500000000 ] - [ -0.0000440000000000, 0.0000000000000000, 0.0001123700000000 ] - [ 0.0004891700000000, 0.0000000000000000, -0.0012814000000000 ] - [ 0.0001529100000000, 0.0000000000000000, -0.0002908400000000 ] - [ 0.0001846100000000, 0.0000000000000000, -0.4012236200000000 ] - [ 0.0003484500000000, 0.0000000000000000, -0.0013459800000000 ] - [ 0.0001722500000000, 0.0000000000000000, 0.0088583800000000 ] - [ 0.0000393100000000, 0.0000000000000000, 0.0008982400000000 ] - [ -0.0005521300000000, 0.0010215600000000, -0.0005580100000000 ] - [ -0.0024564200000000, -0.0031703400000000, -0.0015415000000000 ] - [ 0.0005439000000000, -0.0008579700000000, 0.0005414000000000 ] - [ 0.0007839400000000, 0.0018339500000000, 0.0025775700000000 ] - [ -0.0011509000000000, -0.0008318000000000, 0.0002547100000000 ] - [ -0.0011509000000000, 0.0008318000000000, 0.0002547100000000 ] - [ 0.0003929900000000, 0.0005425200000000, 0.0002561400000000 ] - [ 0.0003929900000000, -0.0005425200000000, 0.0002561400000000 ] - [ 0.0003742100000000, -0.0009579500000000, -0.0036413700000000 ] - [ 0.0003742100000000, 0.0009579500000000, -0.0036413700000000 ] - [ -0.0003572300000000, 0.0003955000000000, 0.0027374900000000 ] - [ -0.0003572300000000, -0.0003955000000000, 0.0027374900000000 ] - [ -0.0024564200000000, 0.0031703400000000, -0.0015415000000000 ] - [ -0.0005521300000000, -0.0010215600000000, -0.0005580100000000 ] - [ 0.0007839400000000, -0.0018339500000000, 0.0025775700000000 ] - [ 0.0005439000000000, 0.0008579700000000, 0.0005414000000000 ] - [ 0.0003185200000000, 0.0007209300000000, -0.0005107300000000 ] - [ -0.0002376600000000, 0.0001173100000000, -0.0002193700000000 ] - [ -0.0003601200000000, -0.0001668800000000, 0.0007571700000000 ] - [ -0.0001698500000000, 0.0001346700000000, 0.0004664200000000 ] - [ -0.0088538300000000, -0.0157323600000000, 0.0247538500000000 ] - [ 0.0000819500000000, 0.0006866600000000, -0.0007675200000000 ] - [ 0.0007239800000000, 0.0018312100000000, 0.0073438200000000 ] - [ -0.0002107500000000, -0.0006282000000000, 0.0005011900000000 ] - [ 0.0026525200000000, 0.0024631100000000, -0.0018367700000000 ] - [ 0.0001853300000000, -0.0007543900000000, -0.0005485200000000 ] - [ -0.0007446000000000, -0.0004936900000000, 0.0019185100000000 ] - [ 0.0001757900000000, 0.0007162200000000, 0.0004210100000000 ] - [ -0.0088538300000000, 0.0157323600000000, 0.0247538500000000 ] - [ 0.0000819500000000, -0.0006866600000000, -0.0007675200000000 ] - [ 0.0007239800000000, -0.0018312100000000, 0.0073438200000000 ] - [ -0.0002107500000000, 0.0006282000000000, 0.0005011900000000 ] - [ 0.0001853300000000, 0.0007543900000000, -0.0005485200000000 ] - [ 0.0026525200000000, -0.0024631100000000, -0.0018367700000000 ] - [ 0.0001757900000000, -0.0007162200000000, 0.0004210100000000 ] - [ -0.0007446000000000, 0.0004936900000000, 0.0019185100000000 ] - [ -0.0018933100000000, 0.0042333700000000, -0.0019171300000000 ] - [ -0.0018933100000000, -0.0042333700000000, -0.0019171300000000 ] - [ 0.0012580200000000, -0.0015060700000000, 0.0021602700000000 ] - [ 0.0012580200000000, 0.0015060700000000, 0.0021602700000000 ] - [ 0.0003185200000000, -0.0007209300000000, -0.0005107300000000 ] - [ -0.0002376600000000, -0.0001173100000000, -0.0002193700000000 ] - [ -0.0003601200000000, 0.0001668800000000, 0.0007571700000000 ] - [ -0.0001698500000000, -0.0001346700000000, 0.0004664200000000 ] - [ 0.0005274700000000, 0.0004221200000000, -0.0001553200000000 ] - [ 0.0005274700000000, -0.0004221200000000, -0.0001553200000000 ] - [ -0.0006881200000000, -0.0002144600000000, 0.0008527800000000 ] - [ -0.0006881200000000, 0.0002144600000000, 0.0008527800000000 ] - [ 0.0178500300000000, 0.0000000000000000, 0.0245504800000000 ] - [ 0.0004608800000000, 0.0000000000000000, -0.0001407900000000 ] - [ -0.0020059400000000, 0.0000000000000000, 0.0078091000000000 ] - [ 0.0001710300000000, 0.0000000000000000, 0.0007336400000000 ] - [ -0.0011260200000000, 0.0000000000000000, -0.0012051900000000 ] - [ 0.0001717700000000, 0.0000000000000000, -0.0006173600000000 ] - [ 0.0009179000000000, 0.0000000000000000, 0.0005256200000000 ] - [ 0.0001561400000000, 0.0000000000000000, 0.0000625300000000 ] - [ 0.0000808500000000, 0.0000000000000000, 0.0000003800000000 ] - [ 0.0000739400000000, 0.0000000000000000, 0.0002729500000000 ] - [ 0.0001992900000000, 0.0000000000000000, 0.0005696800000000 ] - [ 0.0000972100000000, 0.0000000000000000, -0.0000304700000000 ] - [ 0.0026795900000000, -0.0039290400000000, 0.0058867600000000 ] - [ 0.0026795900000000, 0.0039290400000000, 0.0058867600000000 ] - [ -0.0009586500000000, 0.0017315100000000, -0.0037289300000000 ] - [ -0.0009586500000000, -0.0017315100000000, -0.0037289300000000 ] - [ -0.0013276000000000, -0.0021117500000000, -0.0001535700000000 ] - [ -0.0013276000000000, 0.0021117500000000, -0.0001535700000000 ] - [ 0.0010921800000000, 0.0013691800000000, -0.0011754000000000 ] - [ 0.0010921800000000, -0.0013691800000000, -0.0011754000000000 ] - [ 0.0006228800000000, 0.0000000000000000, 0.2962118200000000 ] - [ -0.0008575400000000, 0.0000000000000000, 0.0020804600000000 ] - [ 0.0001254200000000, 0.0000000000000000, -0.0160447300000000 ] - [ 0.0003840000000000, 0.0000000000000000, -0.0013823200000000 ] - [ 0.0001336800000000, 0.0000000000000000, -0.0004355800000000 ] - [ 0.0001114400000000, 0.0000000000000000, 0.0002327900000000 ] - [ -0.0002158900000000, 0.0000000000000000, -0.0005459900000000 ] - [ 0.0000271800000000, 0.0000000000000000, -0.0005533800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005585300000000, -0.0002573100000000, -0.0010946900000000 ] - [ -0.0002113400000000, -0.0002767300000000, -0.0004743500000000 ] - [ 0.0001921100000000, -0.0000740300000000, 0.0005124800000000 ] - [ -0.0000069900000000, 0.0000863200000000, 0.0000174200000000 ] - [ 0.0026675000000000, -0.0033268900000000, -0.0011635600000000 ] - [ 0.0001551200000000, 0.0002188200000000, -0.0005175200000000 ] - [ -0.0011563700000000, 0.0013365200000000, 0.0008983700000000 ] - [ -0.0000252700000000, -0.0000361200000000, 0.0002067900000000 ] - [ -0.0001578500000000, -0.0004626400000000, -0.0003574100000000 ] - [ -0.0035865500000000, 0.0008030200000000, -0.0024329300000000 ] - [ 0.0001777800000000, 0.0000873600000000, 0.0006869500000000 ] - [ 0.0015075200000000, -0.0006590300000000, 0.0015735700000000 ] - [ -0.0021616600000000, 0.0041191700000000, -0.0083799900000000 ] - [ 0.0002458100000000, 0.0007672700000000, -0.0000623400000000 ] - [ -0.0000975200000000, 0.0006238800000000, 0.0058097200000000 ] - [ -0.0001184100000000, -0.0004707300000000, 0.0005991500000000 ] - [ -0.0035865500000000, -0.0008030200000000, -0.0024329300000000 ] - [ -0.0001578500000000, 0.0004626400000000, -0.0003574100000000 ] - [ 0.0015075200000000, 0.0006590300000000, 0.0015735700000000 ] - [ 0.0001777800000000, -0.0000873600000000, 0.0006869500000000 ] - [ -0.0021616600000000, -0.0041191700000000, -0.0083799900000000 ] - [ 0.0002458100000000, -0.0007672700000000, -0.0000623400000000 ] - [ -0.0000975200000000, -0.0006238800000000, 0.0058097200000000 ] - [ -0.0001184100000000, 0.0004707300000000, 0.0005991500000000 ] - [ -0.0005585300000000, 0.0002573100000000, -0.0010946900000000 ] - [ -0.0002113400000000, 0.0002767300000000, -0.0004743500000000 ] - [ 0.0001921100000000, 0.0000740300000000, 0.0005124800000000 ] - [ -0.0000069900000000, -0.0000863200000000, 0.0000174200000000 ] - [ 0.0001551200000000, -0.0002188200000000, -0.0005175200000000 ] - [ 0.0026675000000000, 0.0033268900000000, -0.0011635600000000 ] - [ -0.0000252700000000, 0.0000361200000000, 0.0002067900000000 ] - [ -0.0011563700000000, -0.0013365200000000, 0.0008983700000000 ] - [ 0.0038545500000000, 0.0000000000000000, -0.0081253100000000 ] - [ 0.0001067700000000, 0.0000000000000000, -0.0000293600000000 ] - [ 0.0005249500000000, 0.0000000000000000, 0.0056412900000000 ] - [ 0.0000067700000000, 0.0000000000000000, 0.0002324000000000 ] - [ -0.0001352400000000, -0.0002936000000000, -0.0004844700000000 ] - [ -0.0001352400000000, 0.0002936000000000, -0.0004844700000000 ] - [ -0.0000327000000000, 0.0001493700000000, 0.0005989700000000 ] - [ -0.0000327000000000, -0.0001493700000000, 0.0005989700000000 ] - [ 0.0016833200000000, -0.0039358800000000, -0.0011332600000000 ] - [ 0.0016833200000000, 0.0039358800000000, -0.0011332600000000 ] - [ -0.0005483100000000, 0.0016971900000000, 0.0010783800000000 ] - [ -0.0005483100000000, -0.0016971900000000, 0.0010783800000000 ] - [ 0.0019586500000000, 0.0000000000000000, -0.0014901400000000 ] - [ 0.0001401300000000, 0.0000000000000000, -0.0002924800000000 ] - [ -0.0003884700000000, 0.0000000000000000, 0.0011044900000000 ] - [ -0.0000500100000000, 0.0000000000000000, 0.0001092500000000 ] - [ 0.0001664600000000, 0.0000000000000000, 0.4235464200000000 ] - [ -0.0000996900000000, 0.0000000000000000, 0.0011712700000000 ] - [ 0.0000718000000000, 0.0000000000000000, -0.0090591500000000 ] - [ 0.0002038700000000, 0.0000000000000000, -0.0011001100000000 ] - [ 0.0008932000000000, -0.0013054100000000, 0.0008084200000000 ] - [ 0.0027994400000000, 0.0029325200000000, 0.0017862700000000 ] - [ -0.0002204100000000, 0.0005937900000000, -0.0002938200000000 ] - [ -0.0004548700000000, -0.0021172500000000, -0.0023280100000000 ] - [ 0.0009173400000000, 0.0008277400000000, -0.0004571900000000 ] - [ 0.0009173400000000, -0.0008277400000000, -0.0004571900000000 ] - [ -0.0006416000000000, -0.0005528000000000, -0.0004513300000000 ] - [ -0.0006416000000000, 0.0005528000000000, -0.0004513300000000 ] - [ -0.0006161700000000, 0.0009468200000000, 0.0038590900000000 ] - [ -0.0006161700000000, -0.0009468200000000, 0.0038590900000000 ] - [ 0.0001088700000000, -0.0004008700000000, -0.0025587900000000 ] - [ 0.0001088700000000, 0.0004008700000000, -0.0025587900000000 ] - [ 0.0027994400000000, -0.0029325200000000, 0.0017862700000000 ] - [ 0.0008932000000000, 0.0013054100000000, 0.0008084200000000 ] - [ -0.0004548700000000, 0.0021172500000000, -0.0023280100000000 ] - [ -0.0002204100000000, -0.0005937900000000, -0.0002938200000000 ] - [ -0.0006439600000000, -0.0004603800000000, 0.0007754500000000 ] - [ -0.0000958300000000, 0.0001571700000000, 0.0004719200000000 ] - [ 0.0000374800000000, 0.0004326400000000, -0.0005143500000000 ] - [ -0.0001636000000000, 0.0001347800000000, -0.0002121000000000 ] - [ 0.0087316900000000, 0.0158202900000000, -0.0254410400000000 ] - [ -0.0004243900000000, -0.0009668900000000, 0.0005218100000000 ] - [ -0.0010247200000000, -0.0020577500000000, -0.0075632700000000 ] - [ -0.0001183200000000, 0.0003641700000000, -0.0007668200000000 ] - [ -0.0023557300000000, -0.0022265100000000, 0.0015682800000000 ] - [ 0.0001378200000000, 0.0010322300000000, 0.0003043400000000 ] - [ 0.0010823900000000, 0.0007673000000000, -0.0021857200000000 ] - [ 0.0001563700000000, -0.0004520100000000, -0.0006751800000000 ] - [ 0.0087316900000000, -0.0158202900000000, -0.0254410400000000 ] - [ -0.0004243900000000, 0.0009668900000000, 0.0005218100000000 ] - [ -0.0010247200000000, 0.0020577500000000, -0.0075632700000000 ] - [ -0.0001183200000000, -0.0003641700000000, -0.0007668200000000 ] - [ 0.0001378200000000, -0.0010322300000000, 0.0003043400000000 ] - [ -0.0023557300000000, 0.0022265100000000, 0.0015682800000000 ] - [ 0.0001563700000000, 0.0004520100000000, -0.0006751800000000 ] - [ 0.0010823900000000, -0.0007673000000000, -0.0021857200000000 ] - [ 0.0014974300000000, -0.0042621100000000, 0.0013458400000000 ] - [ 0.0014974300000000, 0.0042621100000000, 0.0013458400000000 ] - [ -0.0016839200000000, 0.0015156800000000, -0.0027211100000000 ] - [ -0.0016839200000000, -0.0015156800000000, -0.0027211100000000 ] - [ -0.0006439600000000, 0.0004603800000000, 0.0007754500000000 ] - [ -0.0000958300000000, -0.0001571700000000, 0.0004719200000000 ] - [ 0.0000374800000000, -0.0004326400000000, -0.0005143500000000 ] - [ -0.0001636000000000, -0.0001347800000000, -0.0002121000000000 ] - [ -0.0009456800000000, -0.0004330700000000, 0.0007078800000000 ] - [ -0.0009456800000000, 0.0004330700000000, 0.0007078800000000 ] - [ 0.0002750200000000, 0.0002234700000000, -0.0003014200000000 ] - [ 0.0002750200000000, -0.0002234700000000, -0.0003014200000000 ] - [ -0.0178476800000000, 0.0000000000000000, -0.0244258800000000 ] - [ -0.0000347300000000, 0.0000000000000000, 0.0007010900000000 ] - [ 0.0023613100000000, 0.0000000000000000, -0.0072233600000000 ] - [ 0.0002514300000000, 0.0000000000000000, -0.0001839500000000 ] - [ 0.0015396000000000, 0.0000000000000000, 0.0006625700000000 ] - [ 0.0002632600000000, 0.0000000000000000, 0.0000631900000000 ] - [ -0.0005182800000000, 0.0000000000000000, -0.0010817200000000 ] - [ 0.0002574700000000, 0.0000000000000000, -0.0006176200000000 ] - [ 0.0001696000000000, 0.0000000000000000, 0.0001730200000000 ] - [ 0.0001678400000000, 0.0000000000000000, -0.0000754100000000 ] - [ 0.0000398900000000, 0.0000000000000000, -0.0003579300000000 ] - [ 0.0001504400000000, 0.0000000000000000, 0.0002230300000000 ] - [ -0.0026956800000000, 0.0039830200000000, -0.0061517100000000 ] - [ -0.0026956800000000, -0.0039830200000000, -0.0061517100000000 ] - [ 0.0009796900000000, -0.0017470000000000, 0.0035008200000000 ] - [ 0.0009796900000000, 0.0017470000000000, 0.0035008200000000 ] - [ 0.0013489000000000, 0.0021351600000000, 0.0004037500000000 ] - [ 0.0013489000000000, -0.0021351600000000, 0.0004037500000000 ] - [ -0.0010866600000000, -0.0013798700000000, 0.0014253000000000 ] - [ -0.0010866600000000, 0.0013798700000000, 0.0014253000000000 ] - [ -0.0007479200000000, 0.0000000000000000, -0.3174161300000000 ] - [ 0.0008492400000000, 0.0000000000000000, -0.0018671600000000 ] - [ -0.0001351500000000, 0.0000000000000000, 0.0162668200000000 ] - [ -0.0004057600000000, 0.0000000000000000, 0.0016335700000000 ] - [ -0.0001463500000000, 0.0000000000000000, 0.0001749600000000 ] - [ -0.0001300100000000, 0.0000000000000000, -0.0004681600000000 ] - [ 0.0002086800000000, 0.0000000000000000, 0.0003193100000000 ] - [ -0.0000417300000000, 0.0000000000000000, 0.0003139700000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001487100000000, -0.0026309600000000, -0.0007133400000000 ] - [ 0.0000162400000000, 0.0017239900000000, -0.0005458500000000 ] - [ 0.0003103300000000, -0.0002228600000000, -0.0000056800000000 ] - [ 0.0002647300000000, 0.0004373000000000, 0.0000751300000000 ] - [ 0.0013713700000000, 0.0010440400000000, 0.0002182200000000 ] - [ 0.0009049300000000, 0.0002070300000000, -0.0004447700000000 ] - [ 0.0013834000000000, -0.0004157500000000, -0.0000475200000000 ] - [ 0.0012661200000000, 0.0003823300000000, 0.0000820400000000 ] - [ -0.0011717900000000, -0.0002884800000000, 0.0002459000000000 ] - [ -0.0003161100000000, 0.0000902000000000, 0.0001849700000000 ] - [ -0.0012236900000000, -0.0003480400000000, 0.0001479800000000 ] - [ -0.0003159700000000, 0.0000869600000000, 0.0002063400000000 ] - [ -0.0003451700000000, 0.0005020600000000, 0.0001406400000000 ] - [ -0.0042549300000000, -0.0028519600000000, -0.0000452900000000 ] - [ -0.0002742700000000, 0.0003008200000000, 0.0002971900000000 ] - [ -0.0004658100000000, 0.0000958100000000, 0.0003493400000000 ] - [ -0.0007694700000000, -0.0000122200000000, 0.0002927000000000 ] - [ -0.0006885300000000, 0.0002202600000000, 0.0001732800000000 ] - [ -0.0007461600000000, -0.0000904900000000, 0.0001018900000000 ] - [ -0.0007280600000000, 0.0003634600000000, 0.0002347100000000 ] - [ -0.0029641000000000, 0.0034827200000000, -0.0000156800000000 ] - [ -0.0005858200000000, -0.0007641500000000, -0.0000275500000000 ] - [ -0.0004126200000000, -0.0001154300000000, 0.0003434400000000 ] - [ -0.0003445700000000, -0.0002776700000000, 0.0003338600000000 ] - [ 0.0001246400000000, 0.0002080300000000, -0.0002760800000000 ] - [ 0.0174738400000000, -0.0016973600000000, 0.0035557600000000 ] - [ 0.0001081900000000, 0.0001827700000000, -0.0001390500000000 ] - [ 0.0004439400000000, -0.0004692800000000, 0.0004649200000000 ] - [ 0.0028004900000000, -0.0013370300000000, -0.0014489900000000 ] - [ 0.0004043700000000, 0.0002013400000000, -0.0002230900000000 ] - [ 0.0068216400000000, -0.0001912300000000, 0.0013080100000000 ] - [ 0.0004113600000000, 0.0001149700000000, -0.0001754800000000 ] - [ 0.0007422300000000, 0.0005928700000000, -0.0000985900000000 ] - [ 0.0090678400000000, 0.0043186600000000, 0.0000612100000000 ] - [ 0.0002890000000000, 0.0001990800000000, 0.0002433000000000 ] - [ 0.0006111900000000, -0.0000925100000000, 0.0001680700000000 ] - [ -0.0006479500000000, -0.0011665700000000, -0.0011714600000000 ] - [ -0.0001702300000000, 0.0004585500000000, 0.0000284200000000 ] - [ -0.0011518000000000, -0.0012350400000000, 0.0013240100000000 ] - [ -0.0002164700000000, 0.0005705800000000, 0.0001852800000000 ] - [ -0.0010448500000000, -0.0000688500000000, 0.0020711800000000 ] - [ 0.0000851200000000, -0.0000252000000000, -0.0000662700000000 ] - [ -0.0006740000000000, 0.0002829700000000, -0.0042622100000000 ] - [ 0.0000416300000000, -0.0000164000000000, -0.0000945300000000 ] - [ -0.0003084000000000, -0.0000072700000000, -0.0001335800000000 ] - [ -0.0015780800000000, 0.0001327900000000, -0.0004604800000000 ] - [ -0.0001354700000000, 0.0000067300000000, -0.0000453900000000 ] - [ -0.0006726300000000, 0.0000294300000000, 0.0001670700000000 ] - [ 0.0001292200000000, -0.0015843200000000, -0.0008235000000000 ] - [ 0.0022418900000000, 0.0031416800000000, -0.0027307900000000 ] - [ -0.0000627100000000, -0.0004564900000000, 0.0002806000000000 ] - [ 0.0001599600000000, 0.0003479400000000, 0.0005220900000000 ] - [ -0.1671955500000000, 0.1243205600000000, 0.0455370000000000 ] - [ -0.0002325900000000, -0.0006068500000000, 0.0002054100000000 ] - [ -0.0010592100000000, 0.0007683400000000, 0.0000348600000000 ] - [ -0.0001253400000000, -0.0003947800000000, 0.0000720900000000 ] - [ 0.0007380300000000, 0.0003261500000000, 0.0000983000000000 ] - [ 0.0002684600000000, -0.0002550500000000, -0.0001011900000000 ] - [ 0.0018716500000000, 0.0004333600000000, -0.0005705300000000 ] - [ 0.0003538400000000, -0.0003522600000000, -0.0000208300000000 ] - [ -0.0086827800000000, -0.0078867400000000, -0.0086794800000000 ] - [ -0.0006193900000000, -0.0002644200000000, 0.0003514600000000 ] - [ -0.0019244800000000, 0.0003438700000000, 0.0009611200000000 ] - [ -0.0005435000000000, -0.0001120800000000, 0.0000522100000000 ] - [ -0.0124466700000000, 0.0072195100000000, 0.0002233900000000 ] - [ -0.0014723500000000, -0.0009891600000000, 0.0003277100000000 ] - [ -0.0004342300000000, 0.0000671200000000, -0.0001694800000000 ] - [ -0.0005285400000000, -0.0001408900000000, 0.0001393000000000 ] - [ -0.0002761300000000, 0.0000373700000000, 0.0001686200000000 ] - [ 0.0025532500000000, -0.0019086200000000, 0.0049705000000000 ] - [ -0.0002752000000000, 0.0002197400000000, 0.0000555500000000 ] - [ 0.0025545800000000, -0.0023615400000000, -0.0046315800000000 ] - [ 0.0003484800000000, -0.0009851600000000, -0.0008772700000000 ] - [ 0.0003445700000000, 0.0008640300000000, -0.0012283100000000 ] - [ 0.0003552000000000, -0.0021673400000000, 0.0016333900000000 ] - [ 0.0003537000000000, 0.0007303600000000, -0.0000922000000000 ] - [ 0.0039013000000000, 0.0013196600000000, 0.0000409200000000 ] - [ 0.0010430900000000, -0.0000700000000000, 0.0000056200000000 ] - [ 0.0009080800000000, 0.0006204700000000, 0.0000273500000000 ] - [ 0.0007113400000000, -0.0001005600000000, -0.0002499000000000 ] - [ 0.0002515400000000, -0.0006603600000000, -0.0005225800000000 ] - [ 0.0004914100000000, 0.0007531300000000, -0.0013106100000000 ] - [ -0.0000055400000000, -0.0007081400000000, -0.0001496100000000 ] - [ 0.0007389800000000, 0.0018695500000000, 0.0014895500000000 ] - [ 0.0036373200000000, -0.0003990400000000, -0.0000258300000000 ] - [ 0.0007550700000000, -0.0006392700000000, 0.0000430200000000 ] - [ 0.0010078100000000, 0.0000029800000000, -0.0001592100000000 ] - [ 0.0006006000000000, -0.0004994800000000, -0.0000680400000000 ] - [ 0.0289872500000000, -0.0304631300000000, -0.0037946500000000 ] - [ -0.0009244700000000, -0.0001035000000000, -0.0002929100000000 ] - [ -0.0006609600000000, 0.0001716000000000, -0.0008080600000000 ] - [ -0.0005842600000000, -0.0000696900000000, -0.0004186800000000 ] - [ -0.0007131900000000, 0.0003119800000000, 0.0004727400000000 ] - [ -0.0001871000000000, -0.0015668300000000, 0.0005273100000000 ] - [ -0.0001723800000000, 0.0007355200000000, -0.0001243500000000 ] - [ -0.0007286700000000, -0.0022604200000000, -0.0010003500000000 ] - [ 0.0071117600000000, 0.0024980400000000, 0.0001550800000000 ] - [ 0.0003753600000000, -0.0005919800000000, 0.0002902900000000 ] - [ 0.0005334700000000, 0.0005778700000000, -0.0001350000000000 ] - [ 0.0001961500000000, -0.0003950500000000, 0.0000894200000000 ] - [ -0.0001446100000000, -0.0007150000000000, -0.0000665200000000 ] - [ -0.0013009600000000, 0.0005589900000000, -0.0005378800000000 ] - [ -0.0005476800000000, -0.0004313300000000, 0.0002739700000000 ] - [ -0.0007749000000000, 0.0028224200000000, 0.0029519400000000 ] - [ 0.0004993500000000, -0.0000007600000000, -0.0002719500000000 ] - [ 0.0019994000000000, -0.0006118000000000, -0.0002199300000000 ] - [ 0.0007060500000000, 0.0000774500000000, -0.0003371900000000 ] - [ 0.0027920200000000, -0.0005372300000000, -0.0014679100000000 ] - [ 0.0001516200000000, 0.0003083900000000, 0.0000691700000000 ] - [ 0.0039635000000000, -0.0033411900000000, -0.0023965200000000 ] - [ 0.0001182200000000, 0.0000357200000000, 0.0000911100000000 ] - [ 0.0005951200000000, -0.0008966100000000, 0.0010065500000000 ] - [ 0.1198060600000000, -0.0961050200000000, -0.0385623100000000 ] - [ 0.0014539800000000, 0.0010207900000000, -0.0006065600000000 ] - [ 0.0012026900000000, -0.0010770300000000, 0.0000896100000000 ] - [ 0.0007376200000000, 0.0004741800000000, -0.0001218600000000 ] - [ -0.0083833800000000, -0.0008984700000000, 0.0011964300000000 ] - [ -0.0011728300000000, 0.0007644100000000, -0.0000931500000000 ] - [ -0.0014659100000000, -0.0005813900000000, -0.0000045300000000 ] - [ -0.0007915900000000, 0.0005419000000000, 0.0001372200000000 ] - [ -0.0001022200000000, 0.0017295700000000, 0.0014352600000000 ] - [ 0.0004228300000000, -0.0016516800000000, 0.0046346300000000 ] - [ 0.0010821300000000, 0.0021974400000000, -0.0005974400000000 ] - [ -0.0006290900000000, -0.0022122000000000, -0.0013382300000000 ] - [ -0.0002563800000000, -0.0001511900000000, -0.0001554300000000 ] - [ -0.0025847900000000, 0.0040158700000000, -0.0016638600000000 ] - [ -0.0005574300000000, -0.0006504300000000, -0.0000830000000000 ] - [ -0.0033712800000000, 0.0047155100000000, 0.0042844200000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003192800000000, 0.0024951700000000, 0.0002931500000000 ] - [ -0.0001494900000000, -0.0019016200000000, 0.0001294900000000 ] - [ -0.0004518100000000, 0.0000636100000000, -0.0004138400000000 ] - [ -0.0004020400000000, -0.0006007500000000, -0.0004970600000000 ] - [ -0.0012544500000000, -0.0009016900000000, -0.0006623500000000 ] - [ -0.0007802700000000, -0.0000545500000000, 0.0000191800000000 ] - [ -0.0012560400000000, 0.0005650100000000, -0.0003528600000000 ] - [ -0.0011427800000000, -0.0002322300000000, -0.0005123100000000 ] - [ 0.0013098900000000, 0.0001333300000000, 0.0001858800000000 ] - [ 0.0004520600000000, -0.0002474100000000, 0.0002417800000000 ] - [ 0.0013636500000000, 0.0001949500000000, 0.0002750500000000 ] - [ 0.0004507900000000, -0.0002444000000000, 0.0002208000000000 ] - [ 0.0002150400000000, -0.0003470500000000, 0.0002787600000000 ] - [ 0.0041190400000000, 0.0029966600000000, 0.0004636800000000 ] - [ 0.0001426700000000, -0.0001443500000000, 0.0001205800000000 ] - [ 0.0003378000000000, 0.0000653900000000, 0.0000699500000000 ] - [ 0.0009067300000000, 0.0001767500000000, 0.0001318800000000 ] - [ 0.0008286600000000, -0.0000640900000000, 0.0002463800000000 ] - [ 0.0008860800000000, 0.0002550000000000, 0.0003169200000000 ] - [ 0.0008681500000000, -0.0002075300000000, 0.0001848500000000 ] - [ 0.0028412400000000, -0.0036285800000000, 0.0004452900000000 ] - [ 0.0004556000000000, 0.0006096400000000, 0.0004523500000000 ] - [ 0.0002838900000000, -0.0000390600000000, 0.0000810500000000 ] - [ 0.0002128800000000, 0.0001244900000000, 0.0000923500000000 ] - [ -0.0002640900000000, -0.0000592700000000, -0.0001508300000000 ] - [ -0.0190487200000000, 0.0021056700000000, -0.0044281800000000 ] - [ -0.0002442600000000, -0.0000305400000000, -0.0002864100000000 ] - [ -0.0005879500000000, 0.0006317500000000, -0.0008939700000000 ] - [ -0.0026925000000000, 0.0011964300000000, 0.0010144900000000 ] - [ -0.0002754800000000, -0.0003671400000000, -0.0001973600000000 ] - [ -0.0067161400000000, 0.0000537400000000, -0.0017812000000000 ] - [ -0.0002840900000000, -0.0002806900000000, -0.0002406100000000 ] - [ -0.0006154500000000, -0.0006198100000000, 0.0002877500000000 ] - [ -0.0089911800000000, -0.0041353500000000, 0.0001339100000000 ] - [ -0.0001850100000000, -0.0002029200000000, -0.0000598400000000 ] - [ -0.0005034400000000, 0.0000960900000000, 0.0000223300000000 ] - [ 0.0005423000000000, 0.0011774000000000, 0.0013696300000000 ] - [ 0.0000585800000000, -0.0004641600000000, 0.0001600600000000 ] - [ 0.0010459500000000, 0.0012439300000000, -0.0011480500000000 ] - [ 0.0001050400000000, -0.0005747600000000, 0.0000053800000000 ] - [ 0.0009633300000000, 0.0000742400000000, -0.0022546000000000 ] - [ -0.0001932100000000, 0.0000243100000000, -0.0001220200000000 ] - [ 0.0005838100000000, -0.0002843400000000, 0.0040611600000000 ] - [ -0.0001478500000000, 0.0000167700000000, -0.0000922700000000 ] - [ 0.0004148000000000, 0.0000108400000000, -0.0000566100000000 ] - [ 0.0016893200000000, -0.0001391400000000, 0.0002768200000000 ] - [ 0.0002437100000000, -0.0000066200000000, -0.0001428100000000 ] - [ 0.0007811100000000, -0.0000292100000000, -0.0003546400000000 ] - [ 0.0000965800000000, 0.0015854600000000, 0.0006190100000000 ] - [ -0.0019841400000000, -0.0031180000000000, 0.0025282700000000 ] - [ 0.0002969700000000, 0.0004484600000000, -0.0004753700000000 ] - [ 0.0000788200000000, -0.0003472800000000, -0.0007150400000000 ] - [ 0.1680525400000000, -0.1212199300000000, -0.0433760600000000 ] - [ 0.0005542900000000, 0.0003563000000000, 0.0000522000000000 ] - [ 0.0013868100000000, -0.0010440000000000, 0.0002144900000000 ] - [ 0.0004645200000000, 0.0001268400000000, 0.0001868600000000 ] - [ -0.0009847100000000, -0.0003370300000000, -0.0002965900000000 ] - [ -0.0005055200000000, 0.0002531300000000, -0.0001111600000000 ] - [ -0.0021259300000000, -0.0004481200000000, 0.0003951500000000 ] - [ -0.0005997400000000, 0.0003481200000000, -0.0001674400000000 ] - [ 0.0082868000000000, 0.0079106800000000, 0.0089004600000000 ] - [ 0.0003809600000000, 0.0002810600000000, -0.0001509400000000 ] - [ 0.0016689100000000, -0.0003479400000000, -0.0007984600000000 ] - [ 0.0003022800000000, 0.0001239400000000, 0.0001456600000000 ] - [ 0.0127240800000000, -0.0067348100000000, 0.0000754100000000 ] - [ 0.0018081500000000, 0.0012731600000000, -0.0000823300000000 ] - [ 0.0007643700000000, 0.0001982300000000, 0.0004352900000000 ] - [ 0.0008707700000000, 0.0004212900000000, 0.0001041100000000 ] - [ -0.0000478400000000, 0.0002321100000000, 0.0000912400000000 ] - [ -0.0028935900000000, 0.0021861900000000, -0.0047494600000000 ] - [ -0.0000520700000000, 0.0000535200000000, 0.0001885400000000 ] - [ -0.0028868000000000, 0.0026351100000000, 0.0049383200000000 ] - [ -0.0006833900000000, 0.0007175600000000, 0.0006250600000000 ] - [ -0.0006876500000000, -0.0011358900000000, 0.0009687400000000 ] - [ -0.0006784800000000, 0.0018910000000000, -0.0018740600000000 ] - [ -0.0006814400000000, -0.0009936300000000, -0.0001663100000000 ] - [ -0.0035794000000000, -0.0010674300000000, -0.0003028500000000 ] - [ -0.0007227100000000, 0.0003444600000000, -0.0002539100000000 ] - [ -0.0005781300000000, -0.0003562300000000, -0.0002933800000000 ] - [ -0.0003857300000000, 0.0003701200000000, -0.0000089200000000 ] - [ -0.0006006800000000, 0.0009380500000000, 0.0002654800000000 ] - [ -0.0008329100000000, -0.0004852500000000, 0.0010512400000000 ] - [ -0.0003337500000000, 0.0009828300000000, -0.0000984700000000 ] - [ -0.0010799100000000, -0.0015958700000000, -0.0017415500000000 ] - [ -0.0033192300000000, 0.0001366700000000, -0.0002257800000000 ] - [ -0.0004173400000000, 0.0003650900000000, -0.0002890500000000 ] - [ -0.0006825400000000, -0.0002729000000000, -0.0000930300000000 ] - [ -0.0002770600000000, 0.0002313400000000, -0.0001849000000000 ] - [ -0.0287589200000000, 0.0298484600000000, 0.0032258600000000 ] - [ 0.0005068300000000, 0.0000981200000000, -0.0002588000000000 ] - [ 0.0002342400000000, -0.0001688400000000, 0.0002583700000000 ] - [ 0.0001705700000000, 0.0000728300000000, -0.0001311300000000 ] - [ 0.0004120500000000, -0.0005737900000000, -0.0002116800000000 ] - [ -0.0001555900000000, 0.0013000200000000, -0.0002753000000000 ] - [ -0.0001371800000000, -0.0010021000000000, 0.0003762200000000 ] - [ 0.0003936600000000, 0.0019986900000000, 0.0012597700000000 ] - [ -0.0075748500000000, -0.0025239400000000, 0.0003890100000000 ] - [ -0.0007863000000000, 0.0005982000000000, 0.0002597600000000 ] - [ -0.0009392400000000, -0.0005767600000000, 0.0006865100000000 ] - [ -0.0006296800000000, 0.0003956700000000, 0.0004646000000000 ] - [ 0.0005349500000000, 0.0007318600000000, 0.0006179900000000 ] - [ 0.0017239300000000, -0.0005749900000000, 0.0010964900000000 ] - [ 0.0009368600000000, 0.0004427400000000, 0.0002642300000000 ] - [ 0.0011735800000000, -0.0028314700000000, -0.0024020600000000 ] - [ -0.0000717800000000, 0.0000126800000000, -0.0002823300000000 ] - [ -0.0015812700000000, 0.0006129800000000, -0.0003365200000000 ] - [ -0.0002929700000000, -0.0000688000000000, -0.0002155400000000 ] - [ -0.0023932100000000, 0.0005453300000000, 0.0009263500000000 ] - [ 0.0001036400000000, -0.0003078600000000, 0.0001148000000000 ] - [ -0.0037498200000000, 0.0033660200000000, 0.0026096800000000 ] - [ 0.0001239200000000, -0.0000250500000000, 0.0001145700000000 ] - [ -0.0003533400000000, 0.0008890000000000, -0.0008195600000000 ] - [ -0.1191073800000000, 0.0926316500000000, 0.0368893600000000 ] - [ -0.0014392400000000, -0.0010427800000000, 0.0003584900000000 ] - [ -0.0011913500000000, 0.0010869500000000, -0.0003184100000000 ] - [ -0.0007308100000000, -0.0004826000000000, -0.0001207600000000 ] - [ 0.0084243100000000, 0.0009030900000000, -0.0009745100000000 ] - [ 0.0011797100000000, -0.0007662500000000, 0.0003324400000000 ] - [ 0.0014788800000000, 0.0005880200000000, 0.0002511400000000 ] - [ 0.0008141300000000, -0.0005443100000000, 0.0001117500000000 ] - [ 0.0001163500000000, -0.0017397200000000, -0.0011840900000000 ] - [ -0.0004237800000000, 0.0016586200000000, -0.0043869100000000 ] - [ -0.0010659700000000, -0.0021973900000000, 0.0008430300000000 ] - [ 0.0006346100000000, 0.0022010200000000, 0.0015776100000000 ] - [ 0.0002249900000000, 0.0001441400000000, -0.0000967600000000 ] - [ 0.0025769400000000, -0.0040319400000000, 0.0014383200000000 ] - [ 0.0005372300000000, 0.0006426700000000, -0.0001531700000000 ] - [ 0.0033685600000000, -0.0047204700000000, -0.0045624000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053976700000000, -0.0005593100000000, -0.0011855600000000 ] - [ 0.0013238400000000, -0.0023965100000000, 0.0002571500000000 ] - [ -0.0004208900000000, 0.0002459600000000, -0.0001177800000000 ] - [ -0.0000218600000000, -0.0005802100000000, -0.0005300900000000 ] - [ -0.0012029300000000, -0.0014273300000000, -0.0029605100000000 ] - [ 0.0000266200000000, -0.0008954400000000, 0.0006419500000000 ] - [ -0.0003077300000000, -0.0004042200000000, 0.0047566100000000 ] - [ 0.0002736000000000, -0.0020391600000000, -0.0014267800000000 ] - [ 0.0002477600000000, 0.0007429200000000, 0.0000428700000000 ] - [ 0.0003118500000000, -0.0007522300000000, 0.0002505800000000 ] - [ 0.0001781800000000, 0.0008310000000000, 0.0002488300000000 ] - [ 0.0002311000000000, -0.0007499300000000, 0.0002543600000000 ] - [ 0.0001481000000000, -0.0011342100000000, 0.0003149000000000 ] - [ -0.0002467300000000, 0.0038967100000000, 0.0005171600000000 ] - [ 0.0000602600000000, -0.0006563700000000, 0.0000699300000000 ] - [ 0.0000174400000000, 0.0011074600000000, 0.0000542100000000 ] - [ 0.0005545300000000, 0.0003313700000000, -0.0000348000000000 ] - [ -0.0000492700000000, -0.0003225300000000, 0.0003194800000000 ] - [ 0.0004067400000000, 0.0003821700000000, 0.0004387300000000 ] - [ -0.0000040200000000, -0.0004508500000000, 0.0000487500000000 ] - [ 0.0021706300000000, -0.0018864700000000, 0.0006041900000000 ] - [ -0.0007047500000000, -0.0009146300000000, 0.0002119900000000 ] - [ 0.0003039400000000, 0.0001268800000000, -0.0000515500000000 ] - [ -0.0002324300000000, -0.0005723800000000, 0.0001807800000000 ] - [ -0.0002711200000000, -0.0013666000000000, -0.0002302900000000 ] - [ 0.0002223200000000, 0.0068231300000000, 0.0001052900000000 ] - [ -0.0000373700000000, -0.0005802100000000, -0.0001451700000000 ] - [ -0.0003652300000000, 0.0009581600000000, -0.0007577600000000 ] - [ -0.0012272500000000, 0.0042067300000000, 0.0022823400000000 ] - [ -0.0000049600000000, -0.0013113000000000, -0.0003725900000000 ] - [ -0.0003203400000000, 0.0067991600000000, -0.0024865800000000 ] - [ -0.0000258200000000, -0.0015278000000000, -0.0000561400000000 ] - [ 0.0021605600000000, -0.0053259800000000, 0.0004587200000000 ] - [ 0.0031067000000000, 0.0098969500000000, 0.0004217300000000 ] - [ -0.0001356900000000, -0.0005532300000000, -0.0001138800000000 ] - [ 0.0003219300000000, 0.0004909600000000, -0.0001558800000000 ] - [ -0.0005294000000000, 0.0015284000000000, -0.0002570900000000 ] - [ 0.0000489900000000, -0.0009663000000000, 0.0002005300000000 ] - [ -0.0001429600000000, 0.0016362000000000, 0.0003713100000000 ] - [ 0.0000722200000000, -0.0011132500000000, -0.0000197700000000 ] - [ 0.0023793600000000, 0.0013491000000000, -0.0019646800000000 ] - [ -0.0002512700000000, -0.0010180300000000, 0.0000239600000000 ] - [ 0.0006141300000000, 0.0017735200000000, 0.0022565500000000 ] - [ -0.0002442100000000, -0.0012523500000000, -0.0002484600000000 ] - [ -0.0001509500000000, -0.0004641200000000, -0.0001570900000000 ] - [ 0.0010015800000000, 0.0003989800000000, 0.0003184800000000 ] - [ -0.0000678800000000, -0.0001959000000000, -0.0000454600000000 ] - [ 0.0003559600000000, 0.0001574700000000, -0.0003594300000000 ] - [ -0.0014094200000000, 0.0019911800000000, 0.0010582800000000 ] - [ 0.0046315800000000, 0.0004351000000000, -0.0031458100000000 ] - [ -0.0003748900000000, 0.0005417700000000, -0.0008210000000000 ] - [ 0.0018987800000000, -0.0007267900000000, 0.0018807700000000 ] - [ 0.1187848700000000, -0.2969325100000000, -0.0903206300000000 ] - [ -0.0003184300000000, 0.0045279200000000, 0.0004603500000000 ] - [ 0.0010645700000000, -0.0025625500000000, 0.0001729800000000 ] - [ -0.0000901900000000, 0.0014574700000000, 0.0005208500000000 ] - [ -0.0003105400000000, -0.0008876000000000, 0.0002060600000000 ] - [ -0.0002150900000000, 0.0008006600000000, -0.0001081100000000 ] - [ -0.0003355700000000, -0.0010737700000000, -0.0006861700000000 ] - [ -0.0002508000000000, 0.0009938400000000, -0.0000751500000000 ] - [ -0.0083175100000000, 0.0006209300000000, 0.0158158200000000 ] - [ 0.0002168000000000, 0.0019418400000000, -0.0007269100000000 ] - [ 0.0000250400000000, -0.0023459400000000, -0.0018691000000000 ] - [ -0.0000426400000000, 0.0015121400000000, 0.0006004600000000 ] - [ -0.0067617500000000, 0.0423202000000000, 0.0044126100000000 ] - [ 0.0012947700000000, 0.0070739100000000, -0.0007395200000000 ] - [ 0.0002322800000000, -0.0006708500000000, 0.0008970500000000 ] - [ 0.0004503900000000, 0.0014280600000000, 0.0000552900000000 ] - [ -0.0000809600000000, 0.0016233100000000, 0.0002221400000000 ] - [ -0.0026566100000000, -0.0009884200000000, -0.0030288800000000 ] - [ -0.0002632600000000, 0.0016255000000000, -0.0003457400000000 ] - [ -0.0021997300000000, -0.0009934900000000, 0.0031913400000000 ] - [ -0.0011620700000000, 0.0005514700000000, 0.0007150400000000 ] - [ 0.0006807200000000, 0.0005410600000000, -0.0011157900000000 ] - [ -0.0010185900000000, 0.0007406500000000, -0.0012680000000000 ] - [ 0.0018702100000000, 0.0007312900000000, 0.0000124300000000 ] - [ -0.0010243800000000, -0.0007099800000000, -0.0004428900000000 ] - [ 0.0003689900000000, 0.0013648800000000, -0.0000694700000000 ] - [ -0.0003193200000000, -0.0007635800000000, -0.0002812000000000 ] - [ 0.0003992800000000, 0.0011000500000000, 0.0001569500000000 ] - [ -0.0009711100000000, 0.0020179200000000, 0.0005745100000000 ] - [ 0.0004547600000000, -0.0027895000000000, -0.0008191100000000 ] - [ -0.0010109900000000, 0.0018540600000000, 0.0000317200000000 ] - [ 0.0015652900000000, -0.0028027000000000, -0.0007345700000000 ] - [ -0.0001019300000000, -0.0021146200000000, -0.0001027900000000 ] - [ -0.0003314300000000, 0.0013900000000000, -0.0003852500000000 ] - [ 0.0003033000000000, -0.0013782200000000, 0.0002181000000000 ] - [ -0.0002020600000000, 0.0009934400000000, -0.0002936900000000 ] - [ -0.0170961300000000, 0.0006990600000000, 0.0013602500000000 ] - [ 0.0006318500000000, 0.0020516900000000, -0.0003419900000000 ] - [ -0.0006126600000000, -0.0010690100000000, 0.0002730800000000 ] - [ -0.0000213200000000, 0.0009949400000000, -0.0001229500000000 ] - [ 0.0019687900000000, 0.0010965900000000, 0.0017606200000000 ] - [ -0.0010465800000000, 0.0005082100000000, -0.0007909300000000 ] - [ 0.0012711400000000, 0.0005252100000000, -0.0010421900000000 ] - [ -0.0006179400000000, 0.0010781000000000, 0.0013416000000000 ] - [ 0.0009713300000000, -0.0022330800000000, 0.0001534700000000 ] - [ -0.0005920000000000, 0.0013157900000000, 0.0002215000000000 ] - [ -0.0002797600000000, -0.0010782900000000, 0.0004654400000000 ] - [ -0.0003748400000000, 0.0008974600000000, 0.0003828300000000 ] - [ -0.0005113400000000, 0.0016597800000000, 0.0014173800000000 ] - [ 0.0022218000000000, -0.0003719600000000, -0.0023697500000000 ] - [ -0.0016000400000000, 0.0020367200000000, -0.0018415800000000 ] - [ 0.0080709700000000, 0.0041167800000000, 0.0087800800000000 ] - [ 0.0007183700000000, 0.0006683700000000, -0.0001890500000000 ] - [ -0.0008068900000000, -0.0000503600000000, -0.0003264000000000 ] - [ 0.0008411400000000, 0.0004961900000000, -0.0007602300000000 ] - [ -0.0014865100000000, -0.0000417400000000, 0.0010149700000000 ] - [ 0.0014909000000000, 0.0012540900000000, -0.0007951500000000 ] - [ -0.0046177700000000, 0.0015538700000000, 0.0024435000000000 ] - [ 0.0004025600000000, 0.0006571600000000, 0.0006843100000000 ] - [ -0.0001845900000000, 0.0001467300000000, -0.0005324400000000 ] - [ -0.0906161200000000, 0.2235717500000000, 0.0631532200000000 ] - [ -0.0016787900000000, -0.0077035200000000, 0.0012321500000000 ] - [ -0.0007632200000000, 0.0031176700000000, -0.0002215000000000 ] - [ -0.0000987000000000, -0.0026448800000000, -0.0007211300000000 ] - [ 0.0005193900000000, 0.0026762600000000, 0.0011601300000000 ] - [ 0.0005026800000000, -0.0025785400000000, 0.0001601000000000 ] - [ 0.0002489700000000, 0.0019834600000000, -0.0001578100000000 ] - [ 0.0002379600000000, -0.0019195200000000, 0.0000728200000000 ] - [ 0.0019796500000000, -0.0027830900000000, -0.0020182900000000 ] - [ -0.0037563300000000, 0.0021011900000000, 0.0047290200000000 ] - [ 0.0024096800000000, -0.0021117400000000, 0.0014163100000000 ] - [ -0.0090011800000000, 0.0022067100000000, -0.0023785900000000 ] - [ -0.0011876900000000, -0.0026934100000000, -0.0011230100000000 ] - [ 0.0020961600000000, -0.0011447600000000, 0.0014066100000000 ] - [ -0.0011895300000000, -0.0023061600000000, 0.0015081100000000 ] - [ 0.0029086500000000, -0.0013882500000000, -0.0052014900000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0053027600000000, 0.0003731500000000, 0.0007717200000000 ] - [ -0.0014343800000000, 0.0022246200000000, -0.0006752300000000 ] - [ 0.0002887400000000, -0.0004125600000000, -0.0002998100000000 ] - [ -0.0001043500000000, 0.0004247300000000, 0.0001118100000000 ] - [ 0.0013280900000000, 0.0015721600000000, 0.0025453200000000 ] - [ 0.0001084800000000, 0.0010501500000000, -0.0010598300000000 ] - [ 0.0004415900000000, 0.0005368000000000, -0.0052146700000000 ] - [ -0.0001424000000000, 0.0021911300000000, 0.0009898100000000 ] - [ -0.0001196900000000, -0.0008975700000000, 0.0003813600000000 ] - [ -0.0001835100000000, 0.0005939300000000, 0.0001739800000000 ] - [ -0.0000512800000000, -0.0009848400000000, 0.0001788200000000 ] - [ -0.0001051800000000, 0.0005929800000000, 0.0001712100000000 ] - [ -0.0002821500000000, 0.0012928500000000, 0.0001015900000000 ] - [ 0.0001220200000000, -0.0037259800000000, -0.0001006100000000 ] - [ -0.0001939100000000, 0.0008186100000000, 0.0003499700000000 ] - [ -0.0001510100000000, -0.0009432800000000, 0.0003674200000000 ] - [ -0.0004256500000000, -0.0001742400000000, 0.0004509200000000 ] - [ 0.0001770900000000, 0.0004872300000000, 0.0000965500000000 ] - [ -0.0002808700000000, -0.0002248800000000, -0.0000197100000000 ] - [ 0.0001324700000000, 0.0006157900000000, 0.0003719200000000 ] - [ -0.0023008500000000, 0.0017149000000000, -0.0001787000000000 ] - [ 0.0005691300000000, 0.0007609400000000, 0.0002127800000000 ] - [ -0.0004361700000000, -0.0002877300000000, 0.0004765100000000 ] - [ 0.0000987000000000, 0.0004174200000000, 0.0002467800000000 ] - [ 0.0001497100000000, 0.0015293000000000, -0.0001963900000000 ] - [ -0.0003185900000000, -0.0066539600000000, -0.0005048300000000 ] - [ -0.0000924900000000, 0.0007360500000000, -0.0002786100000000 ] - [ 0.0002369600000000, -0.0008005600000000, 0.0003334600000000 ] - [ 0.0013654100000000, -0.0043472900000000, -0.0027232200000000 ] - [ 0.0001384900000000, 0.0011467500000000, -0.0000432900000000 ] - [ 0.0004397300000000, -0.0069253600000000, 0.0020585800000000 ] - [ 0.0001569800000000, 0.0013675500000000, -0.0003658600000000 ] - [ -0.0020756900000000, 0.0053381300000000, -0.0002739700000000 ] - [ -0.0024477600000000, -0.0088955300000000, -0.0002276200000000 ] - [ 0.0002398500000000, 0.0005475000000000, 0.0002962900000000 ] - [ -0.0002198700000000, -0.0004848700000000, 0.0003396900000000 ] - [ 0.0004192900000000, -0.0015339700000000, 0.0004332700000000 ] - [ -0.0001539200000000, 0.0009641300000000, -0.0000154900000000 ] - [ 0.0000324400000000, -0.0016428000000000, -0.0001815700000000 ] - [ -0.0001751700000000, 0.0011156900000000, 0.0002048500000000 ] - [ -0.0024736400000000, -0.0013449500000000, 0.0017739300000000 ] - [ 0.0001471000000000, 0.0010193200000000, -0.0002052300000000 ] - [ -0.0007041300000000, -0.0017819800000000, -0.0024303600000000 ] - [ 0.0001390700000000, 0.0012550700000000, 0.0000626700000000 ] - [ 0.0002549000000000, 0.0004572800000000, -0.0000257200000000 ] - [ -0.0008977500000000, -0.0003941900000000, -0.0005002500000000 ] - [ 0.0001734200000000, 0.0001939200000000, -0.0001383000000000 ] - [ -0.0002517900000000, -0.0001539400000000, 0.0001764100000000 ] - [ 0.0016597000000000, -0.0019770900000000, -0.0012701900000000 ] - [ -0.0043709100000000, -0.0004418600000000, 0.0029573600000000 ] - [ 0.0006193800000000, -0.0005475000000000, 0.0006237700000000 ] - [ -0.0016499700000000, 0.0007160300000000, -0.0020718100000000 ] - [ -0.1268486900000000, 0.3070580900000000, 0.0958949500000000 ] - [ 0.0006411300000000, -0.0047940000000000, -0.0002038000000000 ] - [ -0.0007506700000000, 0.0022952900000000, 0.0000746000000000 ] - [ 0.0004345600000000, -0.0017331500000000, -0.0002630000000000 ] - [ 0.0000661200000000, 0.0008808100000000, -0.0003946900000000 ] - [ -0.0000173200000000, -0.0008068000000000, -0.0001188200000000 ] - [ 0.0000916200000000, 0.0010586100000000, 0.0004969700000000 ] - [ 0.0000028600000000, -0.0010050700000000, -0.0001070700000000 ] - [ 0.0081301900000000, -0.0005119000000000, -0.0157299300000000 ] - [ -0.0004492000000000, -0.0019222300000000, 0.0009272000000000 ] - [ -0.0002804300000000, 0.0023557600000000, 0.0020215900000000 ] - [ -0.0001987700000000, -0.0014992900000000, -0.0003904400000000 ] - [ 0.0071844200000000, -0.0431944700000000, -0.0042183400000000 ] - [ -0.0009677400000000, -0.0067791800000000, 0.0009813900000000 ] - [ 0.0001032100000000, 0.0009450200000000, -0.0006383000000000 ] - [ -0.0001091000000000, -0.0011457500000000, 0.0001799300000000 ] - [ -0.0002492800000000, -0.0013558300000000, 0.0000342700000000 ] - [ 0.0023411200000000, 0.0012278400000000, 0.0032952600000000 ] - [ -0.0000680300000000, -0.0013516500000000, 0.0005899900000000 ] - [ 0.0018913400000000, 0.0012203000000000, -0.0029279100000000 ] - [ 0.0008398300000000, -0.0008107000000000, -0.0009604300000000 ] - [ -0.0010232400000000, -0.0008196600000000, 0.0008630900000000 ] - [ 0.0007117300000000, -0.0009878900000000, 0.0010106000000000 ] - [ -0.0021845700000000, -0.0009972400000000, -0.0002707800000000 ] - [ 0.0013571600000000, 0.0009829900000000, 0.0001805600000000 ] - [ -0.0000443100000000, -0.0010943800000000, -0.0001740300000000 ] - [ 0.0006562900000000, 0.0010357400000000, 0.0000124300000000 ] - [ -0.0000679100000000, -0.0008343100000000, -0.0004197900000000 ] - [ 0.0006236200000000, -0.0017383300000000, -0.0008330000000000 ] - [ -0.0007833200000000, 0.0030512000000000, 0.0005604500000000 ] - [ 0.0006816300000000, -0.0015745200000000, -0.0002728700000000 ] - [ -0.0018992400000000, 0.0030595700000000, 0.0004715200000000 ] - [ 0.0004321700000000, 0.0018416900000000, -0.0001479000000000 ] - [ 0.0006773300000000, -0.0016750800000000, 0.0001459900000000 ] - [ 0.0000233800000000, 0.0011098100000000, -0.0004682700000000 ] - [ 0.0005283900000000, -0.0012654800000000, 0.0000416400000000 ] - [ 0.0167933600000000, -0.0005784100000000, -0.0019307300000000 ] - [ -0.0010405700000000, -0.0020629200000000, -0.0002100900000000 ] - [ 0.0001870300000000, 0.0010786300000000, -0.0008312700000000 ] - [ -0.0003919900000000, -0.0009924500000000, -0.0004270000000000 ] - [ -0.0022894600000000, -0.0013481200000000, -0.0015141000000000 ] - [ 0.0006881800000000, -0.0007990200000000, 0.0010437800000000 ] - [ -0.0015916300000000, -0.0007793900000000, 0.0013008100000000 ] - [ 0.0002680200000000, -0.0013668700000000, -0.0010880200000000 ] - [ -0.0013582000000000, 0.0022429700000000, 0.0003976100000000 ] - [ 0.0001907700000000, -0.0013182100000000, 0.0003263700000000 ] - [ -0.0001190900000000, 0.0010941300000000, 0.0000829000000000 ] - [ -0.0000627700000000, -0.0009050100000000, 0.0001720300000000 ] - [ 0.0009126600000000, -0.0016466300000000, -0.0008775000000000 ] - [ -0.0017787700000000, 0.0003541800000000, 0.0029128400000000 ] - [ 0.0020172200000000, -0.0020368000000000, 0.0024080900000000 ] - [ -0.0076137700000000, -0.0041229500000000, -0.0081770100000000 ] - [ -0.0002978200000000, -0.0006494900000000, -0.0003632900000000 ] - [ 0.0012384000000000, 0.0000356100000000, -0.0002278700000000 ] - [ -0.0004466500000000, -0.0004823800000000, 0.0002144400000000 ] - [ 0.0018956200000000, 0.0000456000000000, -0.0015604000000000 ] - [ -0.0012565000000000, -0.0012594900000000, 0.0009871400000000 ] - [ 0.0048290400000000, -0.0015486300000000, -0.0022385500000000 ] - [ -0.0001667700000000, -0.0006473800000000, -0.0004716500000000 ] - [ 0.0004329400000000, -0.0001704000000000, 0.0007264500000000 ] - [ 0.0981093100000000, -0.2340728400000000, -0.0685572400000000 ] - [ 0.0016757500000000, 0.0076851700000000, -0.0014708000000000 ] - [ 0.0007816700000000, -0.0031199600000000, 0.0000091500000000 ] - [ 0.0001041000000000, 0.0026430100000000, 0.0004748100000000 ] - [ -0.0005294100000000, -0.0026755800000000, -0.0009122900000000 ] - [ -0.0005028900000000, 0.0025914900000000, 0.0000748200000000 ] - [ -0.0002427100000000, -0.0019856500000000, 0.0004004000000000 ] - [ -0.0002127100000000, 0.0019245200000000, 0.0001824100000000 ] - [ -0.0019897900000000, 0.0027658900000000, 0.0022783500000000 ] - [ 0.0037245600000000, -0.0020874600000000, -0.0044904600000000 ] - [ -0.0024402400000000, 0.0020837900000000, -0.0011715800000000 ] - [ 0.0089768600000000, -0.0021943500000000, 0.0026273100000000 ] - [ 0.0011694800000000, 0.0026900300000000, 0.0008710500000000 ] - [ -0.0021131700000000, 0.0011823500000000, -0.0016373400000000 ] - [ 0.0011921700000000, 0.0022932800000000, -0.0017661500000000 ] - [ -0.0029170000000000, 0.0014367200000000, 0.0049320100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004434500000000, -0.0003691800000000, 0.0007892800000000 ] - [ -0.0001295900000000, -0.0002943800000000, 0.0006482300000000 ] - [ -0.0001138100000000, 0.0000541800000000, -0.0007418900000000 ] - [ 0.0000372000000000, -0.0001833900000000, -0.0009252400000000 ] - [ -0.0021325100000000, -0.0031182500000000, -0.0018844600000000 ] - [ -0.0000743700000000, 0.0008030900000000, -0.0004520700000000 ] - [ -0.0000950200000000, 0.0024103700000000, -0.0002281000000000 ] - [ 0.0003370700000000, -0.0014222900000000, -0.0002416700000000 ] - [ 0.0002307000000000, -0.0002093200000000, 0.0003782100000000 ] - [ 0.0001958400000000, -0.0002282800000000, 0.0002923500000000 ] - [ 0.0000211000000000, 0.0002900800000000, 0.0000430200000000 ] - [ 0.0001037900000000, -0.0001550600000000, 0.0001572200000000 ] - [ 0.0000063000000000, -0.0001332300000000, 0.0004258100000000 ] - [ -0.0002245900000000, 0.0001710000000000, 0.0013732700000000 ] - [ -0.0000403500000000, -0.0000690400000000, -0.0000433400000000 ] - [ -0.0000328000000000, 0.0003831300000000, -0.0006496700000000 ] - [ 0.0003428200000000, 0.0001519300000000, 0.0003668700000000 ] - [ 0.0001611900000000, 0.0003007800000000, 0.0003072600000000 ] - [ 0.0001306800000000, 0.0001772600000000, 0.0001169000000000 ] - [ -0.0000328100000000, -0.0003001400000000, 0.0000662100000000 ] - [ 0.0002947700000000, -0.0000102200000000, 0.0004049800000000 ] - [ -0.0000860200000000, -0.0000345500000000, 0.0009538400000000 ] - [ 0.0000607000000000, -0.0000608900000000, -0.0003119600000000 ] - [ -0.0001135000000000, -0.0002483800000000, -0.0004050500000000 ] - [ -0.0000922200000000, -0.0000133800000000, 0.0000087400000000 ] - [ 0.0043899600000000, 0.0000509100000000, 0.0069407800000000 ] - [ -0.0000519200000000, -0.0000300400000000, -0.0004188600000000 ] - [ 0.0000054100000000, 0.0002269800000000, -0.0019621700000000 ] - [ -0.0010875300000000, 0.0024457000000000, -0.0064210000000000 ] - [ -0.0000803000000000, -0.0004226200000000, -0.0002776100000000 ] - [ 0.0003359800000000, 0.0004266700000000, 0.0117053000000000 ] - [ 0.0000257600000000, -0.0002168600000000, -0.0001424300000000 ] - [ -0.0001088200000000, -0.0003620800000000, 0.0003211800000000 ] - [ -0.0006364600000000, -0.0008245700000000, 0.0059939300000000 ] - [ -0.0000110300000000, -0.0001646500000000, -0.0004334500000000 ] - [ 0.0001219300000000, 0.0000869300000000, -0.0014685700000000 ] - [ -0.0013487900000000, -0.0005270500000000, -0.0000072700000000 ] - [ -0.0001655000000000, 0.0000918700000000, 0.0001786600000000 ] - [ 0.0012051000000000, 0.0010587300000000, -0.0005505900000000 ] - [ 0.0001046800000000, -0.0004051800000000, 0.0000038600000000 ] - [ 0.0037581800000000, 0.0004409000000000, -0.0017059300000000 ] - [ -0.0001152700000000, 0.0000415500000000, -0.0001644800000000 ] - [ -0.0018342000000000, 0.0013661700000000, -0.0001395900000000 ] - [ -0.0000690100000000, -0.0005307900000000, -0.0000160300000000 ] - [ 0.0000894500000000, -0.0000285800000000, 0.0001166600000000 ] - [ 0.0003386600000000, 0.0000666800000000, 0.0006511500000000 ] - [ 0.0000547700000000, -0.0000198500000000, -0.0002911500000000 ] - [ 0.0000271700000000, -0.0000294800000000, -0.0007852200000000 ] - [ -0.0001075700000000, 0.0003544200000000, -0.0007729700000000 ] - [ -0.0010358800000000, -0.0009780100000000, -0.0017476700000000 ] - [ 0.0001136000000000, 0.0000328300000000, 0.0003152900000000 ] - [ 0.0013210400000000, -0.0001575600000000, 0.0023637800000000 ] - [ 0.0443237600000000, -0.0926842100000000, -0.1224579100000000 ] - [ 0.0002365800000000, 0.0002066300000000, -0.0001263800000000 ] - [ 0.0000721800000000, -0.0000846600000000, 0.0033898700000000 ] - [ 0.0001111100000000, 0.0002588300000000, 0.0005570200000000 ] - [ -0.0000788500000000, 0.0000323300000000, 0.0005422800000000 ] - [ -0.0001366900000000, 0.0000181200000000, 0.0002415900000000 ] - [ -0.0003618400000000, -0.0003730800000000, -0.0007390700000000 ] - [ -0.0001814500000000, 0.0002814300000000, -0.0004406700000000 ] - [ -0.0173321400000000, 0.0295143000000000, 0.0249246500000000 ] - [ -0.0000040900000000, 0.0000686100000000, -0.0005463400000000 ] - [ 0.0013557500000000, -0.0024794500000000, 0.0075754900000000 ] - [ -0.0001460500000000, 0.0005902200000000, 0.0007282900000000 ] - [ 0.0002161400000000, -0.0040984100000000, -0.0120567000000000 ] - [ 0.0003734200000000, 0.0010005700000000, -0.0010071900000000 ] - [ -0.0001415000000000, -0.0006430500000000, 0.0032022500000000 ] - [ 0.0001851200000000, 0.0002039100000000, 0.0008701300000000 ] - [ -0.0000946200000000, 0.0006044500000000, 0.0001093800000000 ] - [ 0.0045985300000000, -0.0029178900000000, 0.0033578500000000 ] - [ -0.0002018300000000, 0.0000414600000000, 0.0001012100000000 ] - [ -0.0050474500000000, 0.0033114900000000, 0.0033892600000000 ] - [ -0.0012611800000000, 0.0008499000000000, 0.0000082900000000 ] - [ -0.0009194300000000, -0.0009754800000000, 0.0000047900000000 ] - [ -0.0001261200000000, -0.0002706500000000, -0.0002951000000000 ] - [ 0.0016014100000000, 0.0010123700000000, -0.0002933300000000 ] - [ -0.0000096500000000, -0.0001778700000000, -0.0004921800000000 ] - [ 0.0000308100000000, 0.0001878000000000, -0.0005833200000000 ] - [ 0.0000050300000000, -0.0000164700000000, 0.0001923000000000 ] - [ 0.0002835100000000, 0.0004220800000000, 0.0003553900000000 ] - [ -0.0005654600000000, 0.0008431900000000, -0.0000569200000000 ] - [ -0.0013440200000000, -0.0005562700000000, 0.0001263900000000 ] - [ -0.0001942200000000, 0.0002941800000000, -0.0000835800000000 ] - [ 0.0014550400000000, -0.0004768200000000, -0.0000904900000000 ] - [ 0.0000614900000000, -0.0001618100000000, -0.0006894700000000 ] - [ 0.0000002200000000, 0.0001297900000000, -0.0003917900000000 ] - [ 0.0001977800000000, -0.0004796100000000, 0.0005113800000000 ] - [ 0.0001047700000000, 0.0000343400000000, 0.0000635200000000 ] - [ 0.0037946700000000, -0.0027135700000000, -0.0124836200000000 ] - [ -0.0001396500000000, 0.0002755700000000, -0.0006979600000000 ] - [ 0.0005151900000000, -0.0002214400000000, 0.0028957100000000 ] - [ -0.0000833300000000, 0.0001729700000000, 0.0001705500000000 ] - [ 0.0009698900000000, 0.0010816900000000, 0.0003177100000000 ] - [ 0.0000815300000000, -0.0013084800000000, 0.0001312800000000 ] - [ -0.0005643600000000, -0.0010542500000000, 0.0001261400000000 ] - [ -0.0005111800000000, 0.0015091800000000, 0.0003100000000000 ] - [ -0.0001585500000000, -0.0001356300000000, -0.0011262500000000 ] - [ -0.0002281100000000, 0.0001727700000000, -0.0000729400000000 ] - [ -0.0005321600000000, -0.0003118300000000, 0.0011561300000000 ] - [ -0.0003291100000000, 0.0001635100000000, 0.0006424500000000 ] - [ -0.0002143100000000, 0.0016347800000000, 0.0004804000000000 ] - [ -0.0017982600000000, -0.0019733700000000, 0.0016899000000000 ] - [ 0.0002473400000000, -0.0000816200000000, 0.0000670200000000 ] - [ 0.0067856200000000, 0.0060723300000000, 0.0060139700000000 ] - [ 0.0005026100000000, 0.0002747700000000, -0.0003080100000000 ] - [ 0.0012681700000000, -0.0007730300000000, -0.0004139800000000 ] - [ -0.0000329400000000, -0.0001029600000000, -0.0002613400000000 ] - [ -0.0013615900000000, 0.0007655100000000, -0.0001163400000000 ] - [ 0.0000782800000000, -0.0000485900000000, -0.0003360900000000 ] - [ -0.0013792800000000, 0.0009851000000000, -0.0016122100000000 ] - [ 0.0002441500000000, 0.0002067000000000, 0.0006470600000000 ] - [ 0.0004372700000000, -0.0007454400000000, 0.0021453300000000 ] - [ -0.0372170200000000, 0.0649033100000000, 0.0900731900000000 ] - [ -0.0003461000000000, -0.0007908900000000, 0.0009528000000000 ] - [ -0.0001397600000000, 0.0005874800000000, -0.0089053500000000 ] - [ 0.0000421400000000, -0.0005158600000000, -0.0012335800000000 ] - [ 0.0002388800000000, 0.0003986500000000, 0.0011164500000000 ] - [ 0.0001890300000000, -0.0003882000000000, 0.0007579500000000 ] - [ 0.0003137200000000, 0.0003877100000000, -0.0010244300000000 ] - [ 0.0000445500000000, -0.0003527500000000, -0.0004993800000000 ] - [ 0.0013034300000000, -0.0020465400000000, 0.0008973200000000 ] - [ 0.0032727300000000, 0.0019551600000000, 0.0008282700000000 ] - [ -0.0000872100000000, 0.0001305800000000, -0.0002491300000000 ] - [ -0.0071533300000000, -0.0001644900000000, -0.0026029700000000 ] - [ -0.0006789300000000, -0.0011967600000000, -0.0008182800000000 ] - [ -0.0022182000000000, 0.0041884400000000, -0.0019811800000000 ] - [ 0.0004636100000000, 0.0006126200000000, 0.0004446400000000 ] - [ 0.0037639700000000, -0.0049481900000000, 0.0012435800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002896200000000, 0.0002082000000000, -0.0012143000000000 ] - [ -0.0000008200000000, 0.0001320600000000, -0.0010633900000000 ] - [ -0.0000127000000000, -0.0002097900000000, 0.0003234000000000 ] - [ -0.0001667700000000, 0.0000213000000000, 0.0005039000000000 ] - [ 0.0022707500000000, 0.0032812500000000, 0.0014446100000000 ] - [ 0.0002063700000000, -0.0006525000000000, 0.0000239800000000 ] - [ 0.0002244400000000, -0.0022315700000000, -0.0001707100000000 ] - [ -0.0002041900000000, 0.0015652600000000, -0.0001849000000000 ] - [ -0.0000991400000000, 0.0000564800000000, 0.0000439000000000 ] - [ -0.0000652300000000, 0.0000727400000000, 0.0001327100000000 ] - [ 0.0001108100000000, -0.0004397300000000, 0.0003850300000000 ] - [ 0.0000255500000000, -0.0000020800000000, 0.0002699800000000 ] - [ -0.0001379400000000, 0.0002875600000000, -0.0000069600000000 ] - [ 0.0001074300000000, 0.0000102800000000, -0.0009492200000000 ] - [ -0.0000923300000000, 0.0002265000000000, 0.0004618000000000 ] - [ -0.0001046500000000, -0.0002240000000000, 0.0010668000000000 ] - [ -0.0002122800000000, 0.0000078400000000, 0.0000475400000000 ] - [ -0.0000289500000000, -0.0001429000000000, 0.0001100100000000 ] - [ 0.0000006600000000, -0.0000176700000000, 0.0003053700000000 ] - [ 0.0001615300000000, 0.0004572700000000, 0.0003529600000000 ] - [ -0.0004084300000000, -0.0001675900000000, 0.0000222200000000 ] - [ -0.0000453500000000, -0.0001191300000000, -0.0005226500000000 ] - [ -0.0001970600000000, -0.0000894200000000, 0.0007392100000000 ] - [ -0.0000202000000000, 0.0000922500000000, 0.0008282100000000 ] - [ -0.0000391600000000, 0.0001632500000000, -0.0004362100000000 ] - [ -0.0045194700000000, 0.0001217200000000, -0.0072827100000000 ] - [ -0.0000776300000000, 0.0001820100000000, -0.0000073100000000 ] - [ -0.0001279200000000, -0.0000708500000000, 0.0015287800000000 ] - [ 0.0012222300000000, -0.0026120700000000, 0.0060272200000000 ] - [ 0.0002140800000000, 0.0002610700000000, -0.0001442300000000 ] - [ -0.0002317100000000, -0.0004170100000000, -0.0108982300000000 ] - [ 0.0001049400000000, 0.0000520800000000, -0.0002727500000000 ] - [ 0.0002223500000000, 0.0003335200000000, -0.0001358200000000 ] - [ 0.0006895500000000, 0.0007764400000000, -0.0057825000000000 ] - [ 0.0001101300000000, 0.0001682300000000, 0.0006166200000000 ] - [ -0.0000214200000000, -0.0000913300000000, 0.0016479400000000 ] - [ 0.0012478500000000, 0.0005305500000000, 0.0001853000000000 ] - [ 0.0000612400000000, -0.0000951800000000, 0.0000062400000000 ] - [ -0.0012986800000000, -0.0010484900000000, 0.0007359000000000 ] - [ -0.0002083900000000, 0.0004002700000000, 0.0001803900000000 ] - [ -0.0038714300000000, -0.0004418000000000, 0.0015082800000000 ] - [ 0.0000138100000000, -0.0000422300000000, -0.0000214600000000 ] - [ 0.0017128300000000, -0.0013504100000000, -0.0000175100000000 ] - [ -0.0000347700000000, 0.0005262100000000, -0.0001670300000000 ] - [ 0.0000149400000000, 0.0000259600000000, -0.0003036800000000 ] - [ -0.0002302400000000, -0.0000645600000000, -0.0008343200000000 ] - [ 0.0000473800000000, 0.0000203700000000, 0.0001067700000000 ] - [ 0.0000798000000000, 0.0000302100000000, 0.0005982800000000 ] - [ 0.0003403000000000, -0.0003401900000000, 0.0005912700000000 ] - [ 0.0012752500000000, 0.0009678400000000, 0.0015777400000000 ] - [ 0.0001280600000000, -0.0000386500000000, -0.0005182700000000 ] - [ -0.0010662400000000, 0.0001532300000000, -0.0025444500000000 ] - [ -0.0446013300000000, 0.0934453000000000, 0.1212106600000000 ] - [ 0.0000861900000000, -0.0004602600000000, 0.0003847700000000 ] - [ 0.0002518100000000, -0.0001820000000000, -0.0031278500000000 ] - [ 0.0002272100000000, -0.0005270800000000, -0.0002979700000000 ] - [ -0.0001671500000000, -0.0000388900000000, -0.0007263100000000 ] - [ -0.0001016600000000, -0.0000190500000000, -0.0004417300000000 ] - [ 0.0001127400000000, 0.0003601900000000, 0.0005452900000000 ] - [ -0.0000639400000000, -0.0002858700000000, 0.0002531400000000 ] - [ 0.0174088500000000, -0.0300701200000000, -0.0252747300000000 ] - [ -0.0002361800000000, -0.0000545500000000, 0.0007432400000000 ] - [ -0.0015817300000000, 0.0024439600000000, -0.0073324100000000 ] - [ -0.0000959000000000, -0.0005761700000000, -0.0005366500000000 ] - [ 0.0000657400000000, 0.0045362400000000, 0.0123444500000000 ] - [ -0.0000322400000000, -0.0007210200000000, 0.0012516300000000 ] - [ 0.0004603800000000, 0.0008936000000000, -0.0029352000000000 ] - [ 0.0001525400000000, 0.0000766200000000, -0.0006231000000000 ] - [ -0.0002283400000000, -0.0003364600000000, 0.0001513900000000 ] - [ -0.0049677200000000, 0.0032019100000000, -0.0031313100000000 ] - [ -0.0001249500000000, 0.0002307600000000, 0.0001417600000000 ] - [ 0.0046734700000000, -0.0030193200000000, -0.0031017700000000 ] - [ 0.0009401600000000, -0.0011246300000000, -0.0002496600000000 ] - [ 0.0005847000000000, 0.0007028600000000, -0.0002522800000000 ] - [ -0.0001973000000000, 0.0000132000000000, 0.0000284900000000 ] - [ -0.0019089200000000, -0.0012699300000000, 0.0000303100000000 ] - [ 0.0003329900000000, 0.0004469000000000, 0.0002323100000000 ] - [ 0.0002914900000000, 0.0000822200000000, 0.0003314900000000 ] - [ 0.0003259300000000, 0.0002818600000000, -0.0004563400000000 ] - [ 0.0000450400000000, -0.0001517700000000, -0.0006153000000000 ] - [ 0.0002242300000000, -0.0005666800000000, -0.0001939500000000 ] - [ 0.0010168900000000, 0.0008260300000000, -0.0003749700000000 ] - [ -0.0001420300000000, -0.0000140800000000, -0.0001675200000000 ] - [ -0.0017764300000000, 0.0007325900000000, -0.0001777600000000 ] - [ 0.0002596000000000, -0.0001135300000000, 0.0004348200000000 ] - [ 0.0003348500000000, -0.0004000900000000, 0.0001431000000000 ] - [ 0.0001269500000000, 0.0002095800000000, -0.0007633000000000 ] - [ 0.0002214000000000, -0.0003021800000000, -0.0003168800000000 ] - [ -0.0043450800000000, 0.0028437000000000, 0.0119471100000000 ] - [ -0.0002819900000000, -0.0002799000000000, 0.0001425200000000 ] - [ -0.0009206900000000, 0.0002258800000000, -0.0034409200000000 ] - [ -0.0003343400000000, -0.0001682500000000, -0.0007232400000000 ] - [ -0.0012892800000000, -0.0013466700000000, -0.0000497800000000 ] - [ -0.0004210700000000, 0.0010368600000000, 0.0001212000000000 ] - [ 0.0002432700000000, 0.0007822800000000, 0.0001212400000000 ] - [ 0.0001730400000000, -0.0017676300000000, -0.0000582400000000 ] - [ -0.0002528400000000, 0.0001244600000000, 0.0016766000000000 ] - [ -0.0001921000000000, -0.0001628800000000, 0.0006261200000000 ] - [ 0.0001139600000000, 0.0003100400000000, -0.0006013000000000 ] - [ -0.0001033200000000, -0.0001631100000000, -0.0000874900000000 ] - [ 0.0006274100000000, -0.0016402000000000, 0.0000796000000000 ] - [ 0.0022423800000000, 0.0019754000000000, -0.0011346400000000 ] - [ 0.0001574900000000, 0.0000904200000000, 0.0004699700000000 ] - [ -0.0063067900000000, -0.0060092400000000, -0.0054127900000000 ] - [ -0.0000775100000000, -0.0002641000000000, -0.0002442500000000 ] - [ -0.0008511200000000, 0.0007718100000000, -0.0001369200000000 ] - [ 0.0004475000000000, 0.0001105200000000, -0.0002964700000000 ] - [ 0.0017600700000000, -0.0007526800000000, -0.0004370300000000 ] - [ 0.0001744600000000, 0.0000526700000000, 0.0005103400000000 ] - [ 0.0016023400000000, -0.0009767200000000, 0.0017959100000000 ] - [ -0.0000035900000000, -0.0001979500000000, -0.0004477600000000 ] - [ -0.0001967300000000, 0.0007425100000000, -0.0019542800000000 ] - [ 0.0377934400000000, -0.0658870700000000, -0.0897478500000000 ] - [ 0.0003625800000000, 0.0007712700000000, -0.0011957800000000 ] - [ 0.0001526300000000, -0.0005774000000000, 0.0086424100000000 ] - [ -0.0000318200000000, 0.0005056200000000, 0.0009955800000000 ] - [ -0.0002187500000000, -0.0003917900000000, -0.0008677500000000 ] - [ -0.0001733400000000, 0.0003869200000000, -0.0005193300000000 ] - [ -0.0002941400000000, -0.0003825600000000, 0.0012592300000000 ] - [ -0.0000224600000000, 0.0003490700000000, 0.0007383900000000 ] - [ -0.0013166000000000, 0.0020487400000000, -0.0006818800000000 ] - [ -0.0033040800000000, -0.0019543600000000, -0.0006246300000000 ] - [ 0.0000805500000000, -0.0001464800000000, 0.0005052300000000 ] - [ 0.0070898400000000, 0.0001670300000000, 0.0028377600000000 ] - [ 0.0006563700000000, 0.0011952800000000, 0.0005700800000000 ] - [ 0.0022090400000000, -0.0041981900000000, 0.0017390400000000 ] - [ -0.0004775400000000, -0.0006170300000000, -0.0006667300000000 ] - [ -0.0037473900000000, 0.0049207800000000, -0.0014728900000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0054229700000000, -0.0006651100000000, -0.0011195900000000 ] - [ -0.0004210400000000, 0.0005566900000000, -0.0002354800000000 ] - [ -0.0005145000000000, -0.0000455900000000, -0.0002074000000000 ] - [ -0.0000595800000000, 0.0001101600000000, -0.0001906900000000 ] - [ -0.0003730000000000, -0.0026359800000000, -0.0027624700000000 ] - [ 0.0002935400000000, 0.0003258700000000, -0.0004320000000000 ] - [ 0.0007279000000000, -0.0013206300000000, 0.0040229700000000 ] - [ 0.0003877900000000, 0.0003228000000000, 0.0000924300000000 ] - [ -0.0010954100000000, -0.0009392800000000, 0.0017276700000000 ] - [ -0.0002607900000000, 0.0000252800000000, 0.0003032600000000 ] - [ -0.0013064000000000, -0.0007533500000000, -0.0009177700000000 ] - [ -0.0004233900000000, 0.0001070000000000, 0.0001083400000000 ] - [ 0.0000083100000000, 0.0007359200000000, 0.0003101300000000 ] - [ 0.0090179700000000, 0.0050874900000000, 0.0006832000000000 ] - [ -0.0001117700000000, 0.0003335900000000, 0.0001323300000000 ] - [ 0.0002744500000000, 0.0003954800000000, 0.0000152000000000 ] - [ -0.0010954100000000, 0.0009392800000000, 0.0017276700000000 ] - [ -0.0002607900000000, -0.0000252800000000, 0.0003032600000000 ] - [ -0.0013064000000000, 0.0007533500000000, -0.0009177700000000 ] - [ -0.0004233900000000, -0.0001070000000000, 0.0001083400000000 ] - [ 0.0090179700000000, -0.0050874900000000, 0.0006832000000000 ] - [ 0.0000083100000000, -0.0007359200000000, 0.0003101300000000 ] - [ 0.0002744500000000, -0.0003954800000000, 0.0000152000000000 ] - [ -0.0001117700000000, -0.0003335900000000, 0.0001323300000000 ] - [ -0.0004210400000000, -0.0005566900000000, -0.0002354800000000 ] - [ -0.0054229700000000, 0.0006651100000000, -0.0011195900000000 ] - [ -0.0000595800000000, -0.0001101600000000, -0.0001906900000000 ] - [ -0.0005145000000000, 0.0000455900000000, -0.0002074000000000 ] - [ -0.0003730000000000, 0.0026359800000000, -0.0027624700000000 ] - [ 0.0002935400000000, -0.0003258700000000, -0.0004320000000000 ] - [ 0.0007279000000000, 0.0013206300000000, 0.0040229700000000 ] - [ 0.0003877900000000, -0.0003228000000000, 0.0000924300000000 ] - [ 0.0034801100000000, -0.0033756200000000, 0.0004523300000000 ] - [ 0.0034801100000000, 0.0033756200000000, 0.0004523300000000 ] - [ 0.0006765200000000, -0.0003944600000000, -0.0001096100000000 ] - [ 0.0006765200000000, 0.0003944600000000, -0.0001096100000000 ] - [ -0.0019472400000000, 0.0000000000000000, -0.0000322700000000 ] - [ -0.0003241500000000, 0.0000000000000000, 0.0000813800000000 ] - [ -0.0016830200000000, 0.0000000000000000, 0.0002797200000000 ] - [ -0.0003012300000000, 0.0000000000000000, 0.0001256700000000 ] - [ 0.0046706200000000, 0.0000000000000000, 0.0031663200000000 ] - [ 0.0002553100000000, 0.0000000000000000, -0.0000995300000000 ] - [ 0.0066827000000000, 0.0000000000000000, -0.0036474700000000 ] - [ 0.0003518500000000, 0.0000000000000000, -0.0000369400000000 ] - [ -0.0012454800000000, 0.0011675800000000, -0.0000042000000000 ] - [ -0.0012454800000000, -0.0011675800000000, -0.0000042000000000 ] - [ -0.0004606500000000, 0.0001573300000000, -0.0001493200000000 ] - [ -0.0004606500000000, -0.0001573300000000, -0.0001493200000000 ] - [ -0.0023355700000000, -0.0025280200000000, -0.0017829200000000 ] - [ -0.0023355700000000, 0.0025280200000000, -0.0017829200000000 ] - [ -0.0014425100000000, -0.0010664600000000, 0.0013697400000000 ] - [ -0.0014425100000000, 0.0010664600000000, 0.0013697400000000 ] - [ 0.0287461400000000, -0.0168602600000000, 0.0041607000000000 ] - [ -0.0005458200000000, 0.0006985600000000, 0.0001980300000000 ] - [ -0.0002799800000000, -0.0005337100000000, 0.0008434100000000 ] - [ -0.0002036700000000, 0.0000444200000000, 0.0002509300000000 ] - [ 0.0010198900000000, 0.0000000000000000, -0.0008141300000000 ] - [ 0.0002327600000000, 0.0000000000000000, -0.0000574500000000 ] - [ 0.0028914300000000, 0.0000000000000000, 0.0012451000000000 ] - [ 0.0003573400000000, 0.0000000000000000, -0.0000502900000000 ] - [ 0.0052474800000000, 0.0000000000000000, 0.0178577400000000 ] - [ -0.0006633600000000, 0.0000000000000000, 0.0003515700000000 ] - [ -0.0022389000000000, 0.0000000000000000, -0.0021084400000000 ] - [ -0.0005598500000000, 0.0000000000000000, 0.0000599300000000 ] - [ 0.0287461400000000, 0.0168602600000000, 0.0041607000000000 ] - [ -0.0005458200000000, -0.0006985600000000, 0.0001980300000000 ] - [ -0.0002799800000000, 0.0005337100000000, 0.0008434100000000 ] - [ -0.0002036700000000, -0.0000444200000000, 0.0002509300000000 ] - [ 0.0003332900000000, 0.0007738500000000, 0.0003680000000000 ] - [ 0.0024302400000000, -0.0015619800000000, 0.0016842200000000 ] - [ 0.0001221000000000, 0.0006408400000000, -0.0001610300000000 ] - [ 0.0016272800000000, -0.0008894200000000, -0.0009249900000000 ] - [ -0.0016792300000000, -0.0021361700000000, -0.0021430400000000 ] - [ -0.0005110900000000, 0.0005746500000000, -0.0005453500000000 ] - [ -0.0011585700000000, -0.0079705700000000, 0.0064130900000000 ] - [ -0.0009063500000000, 0.0016754300000000, -0.0000826200000000 ] - [ 0.0075188500000000, -0.0010442000000000, -0.0001797400000000 ] - [ 0.0007470100000000, 0.0005272900000000, -0.0001076200000000 ] - [ 0.0009003600000000, 0.0002130500000000, 0.0001919100000000 ] - [ 0.0005728600000000, 0.0002914300000000, -0.0000149400000000 ] - [ -0.0005110900000000, -0.0005746500000000, -0.0005453500000000 ] - [ -0.0016792300000000, 0.0021361700000000, -0.0021430400000000 ] - [ -0.0009063500000000, -0.0016754300000000, -0.0000826200000000 ] - [ -0.0011585700000000, 0.0079705700000000, 0.0064130900000000 ] - [ 0.0075188500000000, 0.0010442000000000, -0.0001797400000000 ] - [ 0.0007470100000000, -0.0005272900000000, -0.0001076200000000 ] - [ 0.0009003600000000, -0.0002130500000000, 0.0001919100000000 ] - [ 0.0005728600000000, -0.0002914300000000, -0.0000149400000000 ] - [ -0.3773579000000000, 0.0000000000000000, -0.1099485900000000 ] - [ -0.0013779700000000, 0.0000000000000000, -0.0004731500000000 ] - [ -0.0024329100000000, 0.0000000000000000, -0.0001523500000000 ] - [ -0.0007789900000000, 0.0000000000000000, -0.0002988800000000 ] - [ 0.0024302400000000, 0.0015619800000000, 0.0016842200000000 ] - [ 0.0003332900000000, -0.0007738500000000, 0.0003680000000000 ] - [ 0.0016272800000000, 0.0008894200000000, -0.0009249900000000 ] - [ 0.0001221000000000, -0.0006408400000000, -0.0001610300000000 ] - [ 0.0070322700000000, 0.0000000000000000, -0.0005473800000000 ] - [ 0.0006430500000000, 0.0000000000000000, 0.0001472100000000 ] - [ 0.0013344900000000, 0.0000000000000000, 0.0000097300000000 ] - [ 0.0002980600000000, 0.0000000000000000, 0.0002014000000000 ] - [ -0.0025371500000000, 0.0009199000000000, 0.0001986300000000 ] - [ -0.0025371500000000, -0.0009199000000000, 0.0001986300000000 ] - [ -0.0035272400000000, 0.0002451900000000, -0.0010610200000000 ] - [ -0.0035272400000000, -0.0002451900000000, -0.0010610200000000 ] - [ 0.0021159800000000, -0.0000596800000000, -0.0008324100000000 ] - [ 0.0021159800000000, 0.0000596800000000, -0.0008324100000000 ] - [ 0.0021073600000000, -0.0001620300000000, -0.0005480000000000 ] - [ 0.0021073600000000, 0.0001620300000000, -0.0005480000000000 ] - [ 0.0022558700000000, 0.0007869500000000, -0.0006358200000000 ] - [ 0.0022558700000000, -0.0007869500000000, -0.0006358200000000 ] - [ 0.0008204700000000, 0.0004785200000000, 0.0005810400000000 ] - [ 0.0008204700000000, -0.0004785200000000, 0.0005810400000000 ] - [ 0.2825906900000000, 0.0000000000000000, 0.0761459800000000 ] - [ 0.0021208400000000, 0.0000000000000000, -0.0006176600000000 ] - [ 0.0025057200000000, 0.0000000000000000, -0.0002964100000000 ] - [ 0.0009844200000000, 0.0000000000000000, -0.0002144300000000 ] - [ -0.0127038800000000, 0.0000000000000000, -0.0012895300000000 ] - [ -0.0013903900000000, 0.0000000000000000, -0.0000056400000000 ] - [ -0.0018982500000000, 0.0000000000000000, 0.0005026800000000 ] - [ -0.0008561300000000, 0.0000000000000000, -0.0000032000000000 ] - [ 0.0042269400000000, 0.0020922300000000, 0.0025028100000000 ] - [ 0.0042269400000000, -0.0020922300000000, 0.0025028100000000 ] - [ 0.0067841200000000, 0.0057323500000000, -0.0014950100000000 ] - [ 0.0067841200000000, -0.0057323500000000, -0.0014950100000000 ] - [ -0.0029206900000000, -0.0022389400000000, -0.0008831600000000 ] - [ -0.0029206900000000, 0.0022389400000000, -0.0008831600000000 ] - [ -0.0027850000000000, -0.0015537200000000, 0.0011754900000000 ] - [ -0.0027850000000000, 0.0015537200000000, 0.0011754900000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0053079400000000, 0.0005025300000000, 0.0007040700000000 ] - [ 0.0002983900000000, -0.0007249400000000, -0.0001862300000000 ] - [ 0.0003867000000000, -0.0001191100000000, -0.0002151300000000 ] - [ -0.0000673500000000, -0.0002702800000000, -0.0002310700000000 ] - [ 0.0004964000000000, 0.0027895200000000, 0.0023506300000000 ] - [ -0.0001678300000000, -0.0001643600000000, 0.0000123400000000 ] - [ -0.0006286000000000, 0.0014729900000000, -0.0044660000000000 ] - [ -0.0002657500000000, -0.0001618200000000, -0.0005167400000000 ] - [ 0.0012219900000000, 0.0007743100000000, -0.0012982300000000 ] - [ 0.0003914000000000, -0.0001872400000000, 0.0001175900000000 ] - [ 0.0014357900000000, 0.0005868600000000, 0.0013365200000000 ] - [ 0.0005518100000000, -0.0002660100000000, 0.0003155000000000 ] - [ -0.0001325100000000, -0.0005795000000000, 0.0001113600000000 ] - [ -0.0088062100000000, -0.0043666400000000, -0.0002370800000000 ] - [ -0.0000133200000000, -0.0001720300000000, 0.0002887200000000 ] - [ -0.0003963600000000, -0.0002326500000000, 0.0004059700000000 ] - [ 0.0012219900000000, -0.0007743100000000, -0.0012982300000000 ] - [ 0.0003914000000000, 0.0001872400000000, 0.0001175900000000 ] - [ 0.0014357900000000, -0.0005868600000000, 0.0013365200000000 ] - [ 0.0005518100000000, 0.0002660100000000, 0.0003155000000000 ] - [ -0.0088062100000000, 0.0043666400000000, -0.0002370800000000 ] - [ -0.0001325100000000, 0.0005795000000000, 0.0001113600000000 ] - [ -0.0003963600000000, 0.0002326500000000, 0.0004059700000000 ] - [ -0.0000133200000000, 0.0001720300000000, 0.0002887200000000 ] - [ 0.0002983900000000, 0.0007249400000000, -0.0001862300000000 ] - [ 0.0053079400000000, -0.0005025300000000, 0.0007040700000000 ] - [ -0.0000673500000000, 0.0002702800000000, -0.0002310700000000 ] - [ 0.0003867000000000, 0.0001191100000000, -0.0002151300000000 ] - [ 0.0004964000000000, -0.0027895200000000, 0.0023506300000000 ] - [ -0.0001678300000000, 0.0001643600000000, 0.0000123400000000 ] - [ -0.0006286000000000, -0.0014729900000000, -0.0044660000000000 ] - [ -0.0002657500000000, 0.0001618200000000, -0.0005167400000000 ] - [ -0.0034097300000000, 0.0033744300000000, -0.0002730900000000 ] - [ -0.0034097300000000, -0.0033744300000000, -0.0002730900000000 ] - [ -0.0005804400000000, 0.0003901900000000, 0.0002906700000000 ] - [ -0.0005804400000000, -0.0003901900000000, 0.0002906700000000 ] - [ 0.0018430800000000, 0.0000000000000000, 0.0002239100000000 ] - [ 0.0002287900000000, 0.0000000000000000, 0.0000921600000000 ] - [ 0.0015863000000000, 0.0000000000000000, -0.0001072000000000 ] - [ 0.0002045300000000, 0.0000000000000000, 0.0000571900000000 ] - [ -0.0047570000000000, 0.0000000000000000, -0.0033776100000000 ] - [ -0.0003542000000000, 0.0000000000000000, -0.0000781500000000 ] - [ -0.0067337100000000, 0.0000000000000000, 0.0034860900000000 ] - [ -0.0004519400000000, 0.0000000000000000, -0.0001460100000000 ] - [ 0.0013445200000000, -0.0011645500000000, -0.0001750900000000 ] - [ 0.0013445200000000, 0.0011645500000000, -0.0001750900000000 ] - [ 0.0005659100000000, -0.0001573300000000, -0.0000292500000000 ] - [ 0.0005659100000000, 0.0001573300000000, -0.0000292500000000 ] - [ 0.0025714100000000, 0.0025699700000000, 0.0016093500000000 ] - [ 0.0025714100000000, -0.0025699700000000, 0.0016093500000000 ] - [ 0.0016869700000000, 0.0010647400000000, -0.0015712400000000 ] - [ 0.0016869700000000, -0.0010647400000000, -0.0015712400000000 ] - [ -0.0289889800000000, 0.0170227700000000, -0.0039814300000000 ] - [ 0.0008793300000000, -0.0009727200000000, 0.0000522200000000 ] - [ 0.0006136500000000, 0.0002608500000000, -0.0005970500000000 ] - [ 0.0005421500000000, -0.0003228400000000, -0.0000030000000000 ] - [ -0.0012706500000000, 0.0000000000000000, 0.0006172500000000 ] - [ -0.0004765900000000, 0.0000000000000000, -0.0001565500000000 ] - [ -0.0031370600000000, 0.0000000000000000, -0.0014190300000000 ] - [ -0.0006086500000000, 0.0000000000000000, -0.0001323300000000 ] - [ -0.0054318200000000, 0.0000000000000000, -0.0178314300000000 ] - [ 0.0004262700000000, 0.0000000000000000, -0.0001463600000000 ] - [ 0.0020173300000000, 0.0000000000000000, 0.0022585800000000 ] - [ 0.0003175100000000, 0.0000000000000000, 0.0001391600000000 ] - [ -0.0289889800000000, -0.0170227700000000, -0.0039814300000000 ] - [ 0.0008793300000000, 0.0009727200000000, 0.0000522200000000 ] - [ 0.0006136500000000, -0.0002608500000000, -0.0005970500000000 ] - [ 0.0005421500000000, 0.0003228400000000, -0.0000030000000000 ] - [ -0.0006660800000000, -0.0005055300000000, -0.0001146400000000 ] - [ -0.0027582800000000, 0.0018318500000000, -0.0014429500000000 ] - [ -0.0004509900000000, -0.0003765200000000, 0.0004179400000000 ] - [ -0.0019535800000000, 0.0011572400000000, 0.0011924600000000 ] - [ 0.0013450300000000, 0.0018659900000000, 0.0018993700000000 ] - [ 0.0001726300000000, -0.0008528900000000, 0.0003004200000000 ] - [ 0.0007954000000000, 0.0077158500000000, -0.0066776900000000 ] - [ 0.0005775300000000, -0.0019494900000000, -0.0001714300000000 ] - [ -0.0071685800000000, 0.0012852800000000, -0.0000806600000000 ] - [ -0.0004196700000000, -0.0002511800000000, -0.0001433300000000 ] - [ -0.0005746800000000, 0.0000538400000000, -0.0004501900000000 ] - [ -0.0002494700000000, -0.0000235900000000, -0.0002406000000000 ] - [ 0.0001726300000000, 0.0008528900000000, 0.0003004200000000 ] - [ 0.0013450300000000, -0.0018659900000000, 0.0018993700000000 ] - [ 0.0005775300000000, 0.0019494900000000, -0.0001714300000000 ] - [ 0.0007954000000000, -0.0077158500000000, -0.0066776900000000 ] - [ -0.0071685800000000, -0.0012852800000000, -0.0000806600000000 ] - [ -0.0004196700000000, 0.0002511800000000, -0.0001433300000000 ] - [ -0.0005746800000000, -0.0000538400000000, -0.0004501900000000 ] - [ -0.0002494700000000, 0.0000235900000000, -0.0002406000000000 ] - [ 0.3955458600000000, 0.0000000000000000, 0.1170285600000000 ] - [ 0.0009695800000000, 0.0000000000000000, -0.0000800700000000 ] - [ 0.0020144200000000, 0.0000000000000000, -0.0004064500000000 ] - [ 0.0003713200000000, 0.0000000000000000, -0.0002513900000000 ] - [ -0.0027582800000000, -0.0018318500000000, -0.0014429500000000 ] - [ -0.0006660800000000, 0.0005055300000000, -0.0001146400000000 ] - [ -0.0019535800000000, -0.0011572400000000, 0.0011924600000000 ] - [ -0.0004509900000000, 0.0003765200000000, 0.0004179400000000 ] - [ -0.0074478300000000, 0.0000000000000000, 0.0010963100000000 ] - [ -0.0010499900000000, 0.0000000000000000, 0.0004020900000000 ] - [ -0.0017392000000000, 0.0000000000000000, 0.0005413100000000 ] - [ -0.0007206100000000, 0.0000000000000000, 0.0003543500000000 ] - [ 0.0029626900000000, -0.0009160000000000, 0.0003559300000000 ] - [ 0.0029626900000000, 0.0009160000000000, 0.0003559300000000 ] - [ 0.0039499400000000, -0.0002354400000000, 0.0016125100000000 ] - [ 0.0039499400000000, 0.0002354400000000, 0.0016125100000000 ] - [ -0.0017051100000000, 0.0000607700000000, 0.0002766400000000 ] - [ -0.0017051100000000, -0.0000607700000000, 0.0002766400000000 ] - [ -0.0017140000000000, 0.0001577500000000, 0.0000030400000000 ] - [ -0.0017140000000000, -0.0001577500000000, 0.0000030400000000 ] - [ -0.0020189600000000, -0.0008004300000000, 0.0008372800000000 ] - [ -0.0020189600000000, 0.0008004300000000, 0.0008372800000000 ] - [ -0.0005751200000000, -0.0004775700000000, -0.0003838500000000 ] - [ -0.0005751200000000, 0.0004775700000000, -0.0003838500000000 ] - [ -0.3006950500000000, 0.0000000000000000, -0.0837125600000000 ] - [ -0.0021200100000000, 0.0000000000000000, 0.0003740300000000 ] - [ -0.0024935300000000, 0.0000000000000000, 0.0000933300000000 ] - [ -0.0009834400000000, 0.0000000000000000, -0.0000228000000000 ] - [ 0.0126976700000000, 0.0000000000000000, 0.0015186800000000 ] - [ 0.0014017200000000, 0.0000000000000000, 0.0002369500000000 ] - [ 0.0019177500000000, 0.0000000000000000, -0.0002578800000000 ] - [ 0.0008811200000000, 0.0000000000000000, 0.0002528500000000 ] - [ -0.0042470000000000, -0.0021000900000000, -0.0022983100000000 ] - [ -0.0042470000000000, 0.0021000900000000, -0.0022983100000000 ] - [ -0.0068086800000000, -0.0057731200000000, 0.0017600700000000 ] - [ -0.0068086800000000, 0.0057731200000000, 0.0017600700000000 ] - [ 0.0029107700000000, 0.0022459200000000, 0.0006467200000000 ] - [ 0.0029107700000000, -0.0022459200000000, 0.0006467200000000 ] - [ 0.0027829200000000, 0.0015597900000000, -0.0014365400000000 ] - [ 0.0027829200000000, -0.0015597900000000, -0.0014365400000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022470600000000, 0.0004126500000000, -0.0009796400000000 ] - [ 0.0001051600000000, -0.0006995400000000, -0.0001289300000000 ] - [ -0.0000824100000000, 0.0002324800000000, -0.0000561000000000 ] - [ -0.0000383700000000, -0.0003806800000000, -0.0002995400000000 ] - [ -0.0001588300000000, 0.0007870400000000, -0.0011380600000000 ] - [ 0.0002856600000000, -0.0005508100000000, -0.0000767200000000 ] - [ -0.0008598300000000, 0.0005671100000000, 0.0023568600000000 ] - [ 0.0003337400000000, -0.0007866300000000, -0.0003442400000000 ] - [ -0.0006004100000000, 0.0003771200000000, 0.0005173300000000 ] - [ 0.0004913900000000, -0.0005718700000000, 0.0001630000000000 ] - [ -0.0008717400000000, 0.0005679900000000, -0.0001020800000000 ] - [ 0.0004374400000000, -0.0006390600000000, 0.0003242300000000 ] - [ 0.0003571600000000, -0.0013507300000000, 0.0004577500000000 ] - [ 0.0063971400000000, 0.0158807300000000, 0.0006221000000000 ] - [ 0.0000771200000000, -0.0005808300000000, 0.0001131800000000 ] - [ -0.0001702900000000, 0.0007703300000000, 0.0002048300000000 ] - [ 0.0007285600000000, 0.0005374800000000, -0.0000885600000000 ] - [ -0.0003612600000000, -0.0004119900000000, 0.0002586400000000 ] - [ 0.0010026000000000, 0.0007262700000000, 0.0005252100000000 ] - [ -0.0003078600000000, -0.0004819700000000, 0.0000997700000000 ] - [ -0.0058757100000000, 0.0150739500000000, -0.0001778200000000 ] - [ -0.0004959100000000, -0.0015153300000000, -0.0000387700000000 ] - [ 0.0000365200000000, 0.0006078900000000, 0.0002180700000000 ] - [ -0.0002144600000000, -0.0007400400000000, 0.0003118700000000 ] - [ -0.0002381800000000, -0.0005431300000000, -0.0002941800000000 ] - [ 0.0020815500000000, 0.0005741000000000, 0.0005546800000000 ] - [ -0.0000944300000000, -0.0002245000000000, -0.0001230100000000 ] - [ -0.0000556900000000, 0.0003933000000000, -0.0003676000000000 ] - [ 0.0002907400000000, 0.0006584100000000, 0.0007017900000000 ] - [ -0.0001448300000000, -0.0007125000000000, -0.0003476800000000 ] - [ 0.0010010400000000, 0.0004204800000000, -0.0027688100000000 ] - [ -0.0001952200000000, -0.0009467500000000, -0.0000767800000000 ] - [ -0.0009958600000000, -0.0036111200000000, 0.0001656600000000 ] - [ 0.0011304800000000, -0.0036113200000000, 0.0000169800000000 ] - [ -0.0003750800000000, 0.0000055900000000, 0.0000852700000000 ] - [ 0.0004788700000000, 0.0000127600000000, 0.0000948900000000 ] - [ -0.0000577600000000, 0.0007115500000000, 0.0000915200000000 ] - [ -0.0000533100000000, -0.0004679400000000, 0.0000907300000000 ] - [ -0.0000550100000000, 0.0008036800000000, 0.0000914600000000 ] - [ -0.0000541500000000, -0.0005512700000000, 0.0000950900000000 ] - [ -0.0000352700000000, 0.0023262000000000, -0.0000944400000000 ] - [ -0.0000503300000000, -0.0011390300000000, -0.0000907600000000 ] - [ -0.0000379100000000, 0.0066827500000000, -0.0001176400000000 ] - [ -0.0000509600000000, -0.0011779800000000, -0.0000917100000000 ] - [ 0.0002694600000000, -0.0002287200000000, -0.0002124800000000 ] - [ -0.0001731600000000, -0.0002305500000000, 0.0000296000000000 ] - [ 0.0001412000000000, -0.0000439600000000, 0.0000135800000000 ] - [ -0.0000399200000000, -0.0000430000000000, -0.0001959800000000 ] - [ -0.0010210800000000, 0.0055254400000000, 0.0041177500000000 ] - [ 0.0012757900000000, 0.0055979700000000, -0.0043685800000000 ] - [ 0.0004221700000000, 0.0007026300000000, -0.0016106700000000 ] - [ -0.0001850100000000, 0.0007064100000000, 0.0014155900000000 ] - [ -0.0300988900000000, 0.0004912000000000, -0.0026265500000000 ] - [ 0.0000552600000000, 0.0019271900000000, 0.0004081600000000 ] - [ 0.0003267100000000, -0.0012081400000000, -0.0000964100000000 ] - [ 0.0001015600000000, 0.0008568000000000, 0.0003002300000000 ] - [ -0.0001204000000000, -0.0008260500000000, -0.0000981600000000 ] - [ -0.0001144700000000, 0.0006319500000000, -0.0001165000000000 ] - [ -0.0001189600000000, -0.0014102300000000, -0.0000936600000000 ] - [ -0.0001226900000000, 0.0007724800000000, -0.0000908800000000 ] - [ -0.0000643500000000, -0.0128483100000000, 0.0001438100000000 ] - [ -0.0001193100000000, 0.0010970600000000, 0.0001070600000000 ] - [ -0.0001277500000000, -0.0019412900000000, 0.0000814400000000 ] - [ -0.0001216800000000, 0.0009927100000000, 0.0001057700000000 ] - [ 0.0301961500000000, 0.0007837400000000, 0.0029289900000000 ] - [ 0.0002659900000000, 0.0021939400000000, -0.0001595900000000 ] - [ -0.0000060600000000, -0.0009379900000000, 0.0003598800000000 ] - [ 0.0002437800000000, 0.0011382700000000, -0.0000542500000000 ] - [ -0.0000872300000000, 0.0006237600000000, 0.0002379000000000 ] - [ -0.0007045800000000, 0.0000923500000000, -0.0006345100000000 ] - [ -0.0001679400000000, 0.0007961200000000, -0.0001510600000000 ] - [ -0.0007668100000000, 0.0000842100000000, 0.0009039300000000 ] - [ -0.0007295100000000, -0.0004946400000000, 0.0018451900000000 ] - [ 0.0005521800000000, 0.0015174000000000, -0.0017718200000000 ] - [ -0.0029662100000000, 0.0039776700000000, -0.0061382200000000 ] - [ 0.0002765700000000, 0.0019082700000000, -0.0000428500000000 ] - [ -0.0023330300000000, -0.0021082300000000, -0.0002623800000000 ] - [ 0.0007611000000000, 0.0014555600000000, 0.0000470000000000 ] - [ -0.0004073400000000, -0.0009487100000000, -0.0004465400000000 ] - [ 0.0005597200000000, 0.0010324600000000, 0.0000302600000000 ] - [ -0.0008991600000000, 0.0017899400000000, 0.0015027600000000 ] - [ 0.0003977400000000, -0.0002309000000000, -0.0021110800000000 ] - [ -0.0006031500000000, 0.0021735400000000, -0.0002051100000000 ] - [ 0.0026702400000000, 0.0042706600000000, 0.0059409600000000 ] - [ 0.0026886600000000, -0.0023735700000000, 0.0000017500000000 ] - [ -0.0004190700000000, 0.0011734400000000, -0.0002866100000000 ] - [ 0.0007422300000000, -0.0012193900000000, 0.0001891900000000 ] - [ -0.0002293200000000, 0.0007631000000000, -0.0002890800000000 ] - [ -0.0015730700000000, -0.1007803800000000, -0.0006115300000000 ] - [ -0.0002124900000000, 0.0016193400000000, -0.0002758600000000 ] - [ -0.0002143600000000, -0.0010332400000000, -0.0002742100000000 ] - [ -0.0002075100000000, 0.0009476100000000, -0.0002751900000000 ] - [ 0.0003976800000000, -0.0001616400000000, 0.0008914200000000 ] - [ -0.0002513800000000, 0.0003437500000000, 0.0000198100000000 ] - [ 0.0004581600000000, -0.0001721000000000, -0.0006456400000000 ] - [ -0.0001697200000000, 0.0005180300000000, 0.0003929500000000 ] - [ -0.0001952100000000, -0.0018674100000000, 0.0002725300000000 ] - [ -0.0001987900000000, 0.0007623500000000, 0.0002739100000000 ] - [ -0.0001941500000000, -0.0006777200000000, 0.0002742000000000 ] - [ -0.0002193900000000, 0.0005511300000000, 0.0002770700000000 ] - [ 0.0011009000000000, 0.0002619300000000, 0.0017585700000000 ] - [ -0.0007030000000000, 0.0002405900000000, -0.0012149400000000 ] - [ 0.0004304100000000, 0.0014586700000000, -0.0010838200000000 ] - [ -0.0000356900000000, 0.0014492400000000, 0.0016345600000000 ] - [ 0.0000568300000000, 0.0001774800000000, -0.0001322800000000 ] - [ 0.0003779600000000, 0.0001622400000000, -0.0004225800000000 ] - [ 0.0001406200000000, 0.0001721000000000, -0.0005463500000000 ] - [ 0.0002678200000000, 0.0001732700000000, -0.0000041500000000 ] - [ 0.0007798200000000, 0.0005599400000000, -0.0003390800000000 ] - [ -0.0005283100000000, 0.0005628400000000, 0.0005326900000000 ] - [ 0.0001372300000000, 0.0001485000000000, 0.0003271100000000 ] - [ 0.0001083000000000, 0.0001288300000000, -0.0001171200000000 ] - [ 0.0008064300000000, 0.0640719900000000, 0.0001252900000000 ] - [ 0.0000132200000000, -0.0033867100000000, -0.0001275100000000 ] - [ 0.0000138500000000, 0.0016675300000000, -0.0001186500000000 ] - [ 0.0000040500000000, -0.0018496300000000, -0.0001231600000000 ] - [ -0.0000169100000000, 0.0053134500000000, 0.0001188600000000 ] - [ -0.0000049100000000, -0.0022664900000000, 0.0001162700000000 ] - [ -0.0000011500000000, 0.0020646800000000, 0.0001230600000000 ] - [ 0.0000115100000000, -0.0016346300000000, 0.0001286000000000 ] - [ 0.0000417000000000, -0.0014600900000000, -0.0066035700000000 ] - [ -0.0000328200000000, -0.0014492400000000, 0.0069043800000000 ] - [ -0.0008535900000000, -0.0046056500000000, 0.0028363800000000 ] - [ 0.0008591700000000, -0.0046220900000000, -0.0026034000000000 ] - [ -0.0001307100000000, -0.0006332600000000, -0.0005791500000000 ] - [ 0.0000990700000000, -0.0006164600000000, 0.0003281600000000 ] - [ -0.0003234000000000, -0.0007901500000000, 0.0007298100000000 ] - [ 0.0003053800000000, -0.0007660000000000, -0.0009730600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005218100000000, -0.0004777000000000, 0.0002001500000000 ] - [ -0.0000815400000000, -0.0000393300000000, -0.0000044800000000 ] - [ -0.0000854800000000, -0.0000654900000000, -0.0006401000000000 ] - [ -0.0000180300000000, -0.0000160100000000, -0.0004033900000000 ] - [ -0.0012996100000000, -0.0035290300000000, -0.0019750400000000 ] - [ -0.0000843000000000, 0.0004296000000000, -0.0003321900000000 ] - [ 0.0022786300000000, 0.0011278100000000, -0.0002537400000000 ] - [ 0.0003813500000000, -0.0002119400000000, -0.0000845600000000 ] - [ 0.0008455900000000, 0.0000035600000000, 0.0003109600000000 ] - [ 0.0002526300000000, -0.0002623600000000, 0.0002780600000000 ] - [ -0.0012962800000000, -0.0001311600000000, -0.0002064500000000 ] - [ -0.0003554900000000, 0.0001730000000000, 0.0001174500000000 ] - [ 0.0000517700000000, 0.0000578900000000, 0.0009835800000000 ] - [ -0.0003133600000000, -0.0006751300000000, 0.0059395500000000 ] - [ -0.0001735800000000, 0.0001896300000000, -0.0004203900000000 ] - [ -0.0000550700000000, 0.0001797800000000, -0.0012932500000000 ] - [ 0.0008455900000000, -0.0000035600000000, 0.0003109600000000 ] - [ 0.0002526300000000, 0.0002623600000000, 0.0002780600000000 ] - [ -0.0012962800000000, 0.0001311600000000, -0.0002064500000000 ] - [ -0.0003554900000000, -0.0001730000000000, 0.0001174500000000 ] - [ -0.0003133600000000, 0.0006751300000000, 0.0059395500000000 ] - [ 0.0000517700000000, -0.0000578900000000, 0.0009835800000000 ] - [ -0.0000550700000000, -0.0001797800000000, -0.0012932500000000 ] - [ -0.0001735800000000, -0.0001896300000000, -0.0004203900000000 ] - [ -0.0000815400000000, 0.0000393300000000, -0.0000044800000000 ] - [ -0.0005218100000000, 0.0004777000000000, 0.0002001500000000 ] - [ -0.0000180300000000, 0.0000160100000000, -0.0004033900000000 ] - [ -0.0000854800000000, 0.0000654900000000, -0.0006401000000000 ] - [ -0.0012996100000000, 0.0035290300000000, -0.0019750400000000 ] - [ -0.0000843000000000, -0.0004296000000000, -0.0003321900000000 ] - [ 0.0022786300000000, -0.0011278100000000, -0.0002537400000000 ] - [ 0.0003813500000000, 0.0002119400000000, -0.0000845600000000 ] - [ 0.0002580900000000, 0.0000901700000000, 0.0013619900000000 ] - [ 0.0002580900000000, -0.0000901700000000, 0.0013619900000000 ] - [ 0.0002931200000000, -0.0001634500000000, -0.0007856900000000 ] - [ 0.0002931200000000, 0.0001634500000000, -0.0007856900000000 ] - [ -0.0010824800000000, 0.0000000000000000, 0.0001636500000000 ] - [ -0.0001342000000000, 0.0000000000000000, 0.0001206600000000 ] - [ -0.0001192000000000, 0.0000000000000000, 0.0000199900000000 ] - [ -0.0000542400000000, 0.0000000000000000, 0.0000661000000000 ] - [ 0.0027296400000000, 0.0000000000000000, -0.0067401200000000 ] - [ -0.0001504900000000, 0.0000000000000000, -0.0002236400000000 ] - [ -0.0000694900000000, 0.0000000000000000, 0.0081276200000000 ] - [ 0.0001784400000000, 0.0000000000000000, 0.0000379000000000 ] - [ -0.0000341800000000, 0.0000355600000000, 0.0002448800000000 ] - [ -0.0000341800000000, -0.0000355600000000, 0.0002448800000000 ] - [ -0.0001365200000000, 0.0000310300000000, -0.0004239800000000 ] - [ -0.0001365200000000, -0.0000310300000000, -0.0004239800000000 ] - [ -0.0003167600000000, 0.0017696700000000, -0.0017250200000000 ] - [ -0.0003167600000000, -0.0017696700000000, -0.0017250200000000 ] - [ -0.0006060000000000, -0.0009351200000000, 0.0023360000000000 ] - [ -0.0006060000000000, 0.0009351200000000, 0.0023360000000000 ] - [ -0.0032606100000000, 0.0014914000000000, -0.0120616900000000 ] - [ 0.0001447000000000, -0.0001986800000000, -0.0002979200000000 ] - [ -0.0003776100000000, 0.0004286800000000, 0.0033018100000000 ] - [ 0.0000311500000000, 0.0000079400000000, 0.0005674500000000 ] - [ -0.0002147500000000, 0.0000000000000000, 0.0007147800000000 ] - [ -0.0001229900000000, 0.0000000000000000, 0.0002235800000000 ] - [ 0.0008969800000000, 0.0000000000000000, -0.0010287600000000 ] - [ 0.0000534200000000, 0.0000000000000000, -0.0004303300000000 ] - [ 0.0337365400000000, 0.0000000000000000, 0.0243208700000000 ] - [ -0.0000470900000000, 0.0000000000000000, -0.0003049100000000 ] - [ -0.0029713100000000, 0.0000000000000000, 0.0076330000000000 ] - [ -0.0003587300000000, 0.0000000000000000, 0.0005688700000000 ] - [ -0.0032606100000000, -0.0014914000000000, -0.0120616900000000 ] - [ 0.0001447000000000, 0.0001986800000000, -0.0002979200000000 ] - [ -0.0003776100000000, -0.0004286800000000, 0.0033018100000000 ] - [ 0.0000311500000000, -0.0000079400000000, 0.0005674500000000 ] - [ -0.0001105600000000, 0.0006243200000000, 0.0001493700000000 ] - [ 0.0010385700000000, -0.0011555400000000, 0.0002917800000000 ] - [ -0.0001766200000000, 0.0000533000000000, 0.0000877400000000 ] - [ -0.0002128700000000, 0.0001772000000000, -0.0000131100000000 ] - [ -0.0009763400000000, 0.0024962000000000, 0.0012896400000000 ] - [ -0.0005166400000000, -0.0012818000000000, 0.0000743300000000 ] - [ 0.0025376600000000, -0.0086478500000000, 0.0056084300000000 ] - [ -0.0001579100000000, 0.0019970900000000, -0.0003273600000000 ] - [ 0.0002804400000000, 0.0000074700000000, -0.0015374500000000 ] - [ 0.0001571600000000, 0.0000882600000000, -0.0004715200000000 ] - [ 0.0005834500000000, 0.0003269600000000, 0.0007464700000000 ] - [ 0.0003513700000000, 0.0002397700000000, 0.0002337500000000 ] - [ -0.0005166400000000, 0.0012818000000000, 0.0000743300000000 ] - [ -0.0009763400000000, -0.0024962000000000, 0.0012896400000000 ] - [ -0.0001579100000000, -0.0019970900000000, -0.0003273600000000 ] - [ 0.0025376600000000, 0.0086478500000000, 0.0056084300000000 ] - [ 0.0002804400000000, -0.0000074700000000, -0.0015374500000000 ] - [ 0.0001571600000000, -0.0000882600000000, -0.0004715200000000 ] - [ 0.0005834500000000, -0.0003269600000000, 0.0007464700000000 ] - [ 0.0003513700000000, -0.0002397700000000, 0.0002337500000000 ] - [ -0.1128931000000000, 0.0000000000000000, -0.1173739300000000 ] - [ -0.0004108300000000, 0.0000000000000000, -0.0008632800000000 ] - [ -0.0000870200000000, 0.0000000000000000, 0.0029901200000000 ] - [ -0.0002266600000000, 0.0000000000000000, 0.0002154700000000 ] - [ 0.0010385700000000, 0.0011555400000000, 0.0002917800000000 ] - [ -0.0001105600000000, -0.0006243200000000, 0.0001493700000000 ] - [ -0.0002128700000000, -0.0001772000000000, -0.0000131100000000 ] - [ -0.0001766200000000, -0.0000533000000000, 0.0000877400000000 ] - [ 0.0006271400000000, 0.0000000000000000, -0.0003959600000000 ] - [ -0.0000664700000000, 0.0000000000000000, 0.0000495600000000 ] - [ 0.0000743000000000, 0.0000000000000000, 0.0006980800000000 ] - [ -0.0001397900000000, 0.0000000000000000, 0.0004539800000000 ] - [ 0.0001276000000000, 0.0014954600000000, 0.0006492400000000 ] - [ 0.0001276000000000, -0.0014954600000000, 0.0006492400000000 ] - [ -0.0011420500000000, -0.0013536300000000, 0.0003160300000000 ] - [ -0.0011420500000000, 0.0013536300000000, 0.0003160300000000 ] - [ 0.0004808200000000, 0.0002795800000000, -0.0003070500000000 ] - [ 0.0004808200000000, -0.0002795800000000, -0.0003070500000000 ] - [ 0.0007522200000000, -0.0001447200000000, -0.0003093700000000 ] - [ 0.0007522200000000, 0.0001447200000000, -0.0003093700000000 ] - [ 0.0002500500000000, 0.0000426500000000, -0.0003371800000000 ] - [ 0.0002500500000000, -0.0000426500000000, -0.0003371800000000 ] - [ 0.0002825900000000, 0.0002239300000000, 0.0006824700000000 ] - [ 0.0002825900000000, -0.0002239300000000, 0.0006824700000000 ] - [ 0.0792231300000000, 0.0000000000000000, 0.0910814500000000 ] - [ 0.0000541400000000, 0.0000000000000000, 0.0006661500000000 ] - [ 0.0004997400000000, 0.0000000000000000, -0.0088645100000000 ] - [ 0.0003180500000000, 0.0000000000000000, -0.0009966200000000 ] - [ -0.0013340700000000, 0.0000000000000000, 0.0021844100000000 ] - [ -0.0001502400000000, 0.0000000000000000, 0.0006862000000000 ] - [ -0.0005856800000000, 0.0000000000000000, -0.0012360500000000 ] - [ -0.0002197200000000, 0.0000000000000000, -0.0004475900000000 ] - [ 0.0001693100000000, -0.0038588200000000, 0.0005520700000000 ] - [ 0.0001693100000000, 0.0038588200000000, 0.0005520700000000 ] - [ 0.0033565300000000, 0.0063685000000000, -0.0026590600000000 ] - [ 0.0033565300000000, -0.0063685000000000, -0.0026590600000000 ] - [ -0.0006790000000000, -0.0011919000000000, -0.0009217900000000 ] - [ -0.0006790000000000, 0.0011919000000000, -0.0009217900000000 ] - [ -0.0003930600000000, 0.0000332000000000, 0.0004101800000000 ] - [ -0.0003930600000000, -0.0000332000000000, 0.0004101800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003635200000000, 0.0003132300000000, -0.0006348000000000 ] - [ -0.0000480700000000, -0.0001182500000000, -0.0004220400000000 ] - [ -0.0000402400000000, -0.0000949900000000, 0.0002213500000000 ] - [ -0.0001083300000000, -0.0001418700000000, -0.0000167400000000 ] - [ 0.0014371400000000, 0.0036979800000000, 0.0015394400000000 ] - [ 0.0002187200000000, -0.0002674600000000, -0.0000929900000000 ] - [ -0.0021217100000000, -0.0009604000000000, -0.0001432000000000 ] - [ -0.0002469900000000, 0.0003738900000000, -0.0003327500000000 ] - [ -0.0007196600000000, -0.0001622100000000, 0.0001096400000000 ] - [ -0.0001227000000000, 0.0001002500000000, 0.0001415200000000 ] - [ 0.0014153100000000, -0.0000299600000000, 0.0006304900000000 ] - [ 0.0004799400000000, -0.0003309900000000, 0.0003072700000000 ] - [ -0.0001823400000000, 0.0001001500000000, -0.0005604400000000 ] - [ 0.0001378900000000, 0.0007424300000000, -0.0054986900000000 ] - [ 0.0000378000000000, -0.0000258100000000, 0.0008411800000000 ] - [ -0.0000820300000000, -0.0000237400000000, 0.0017099100000000 ] - [ -0.0007196600000000, 0.0001622100000000, 0.0001096400000000 ] - [ -0.0001227000000000, -0.0001002500000000, 0.0001415200000000 ] - [ 0.0014153100000000, 0.0000299600000000, 0.0006304900000000 ] - [ 0.0004799400000000, 0.0003309900000000, 0.0003072700000000 ] - [ 0.0001378900000000, -0.0007424300000000, -0.0054986900000000 ] - [ -0.0001823400000000, -0.0001001500000000, -0.0005604400000000 ] - [ -0.0000820300000000, 0.0000237400000000, 0.0017099100000000 ] - [ 0.0000378000000000, 0.0000258100000000, 0.0008411800000000 ] - [ -0.0000480700000000, 0.0001182500000000, -0.0004220400000000 ] - [ 0.0003635200000000, -0.0003132300000000, -0.0006348000000000 ] - [ -0.0001083300000000, 0.0001418700000000, -0.0000167400000000 ] - [ -0.0000402400000000, 0.0000949900000000, 0.0002213500000000 ] - [ 0.0014371400000000, -0.0036979800000000, 0.0015394400000000 ] - [ 0.0002187200000000, 0.0002674600000000, -0.0000929900000000 ] - [ -0.0021217100000000, 0.0009604000000000, -0.0001432000000000 ] - [ -0.0002469900000000, -0.0003738900000000, -0.0003327500000000 ] - [ -0.0001428500000000, -0.0001141100000000, -0.0011767100000000 ] - [ -0.0001428500000000, 0.0001141100000000, -0.0011767100000000 ] - [ -0.0001918800000000, 0.0001646500000000, 0.0009652000000000 ] - [ -0.0001918800000000, -0.0001646500000000, 0.0009652000000000 ] - [ 0.0009828100000000, 0.0000000000000000, 0.0000116300000000 ] - [ 0.0000271600000000, 0.0000000000000000, 0.0000586400000000 ] - [ 0.0000115500000000, 0.0000000000000000, 0.0001710000000000 ] - [ -0.0000511300000000, 0.0000000000000000, 0.0001256300000000 ] - [ -0.0028370000000000, 0.0000000000000000, 0.0065910700000000 ] - [ 0.0000466900000000, 0.0000000000000000, 0.0000397300000000 ] - [ 0.0001148100000000, 0.0000000000000000, -0.0072252400000000 ] - [ -0.0002801300000000, 0.0000000000000000, -0.0002183600000000 ] - [ 0.0001355700000000, -0.0000384000000000, -0.0004315500000000 ] - [ 0.0001355700000000, 0.0000384000000000, -0.0004315500000000 ] - [ 0.0002408400000000, -0.0000297300000000, 0.0002424000000000 ] - [ 0.0002408400000000, 0.0000297300000000, 0.0002424000000000 ] - [ 0.0005497900000000, -0.0017571400000000, 0.0015350000000000 ] - [ 0.0005497900000000, 0.0017571400000000, 0.0015350000000000 ] - [ 0.0008413500000000, 0.0009175400000000, -0.0025400200000000 ] - [ 0.0008413500000000, -0.0009175400000000, -0.0025400200000000 ] - [ 0.0037609600000000, -0.0018020800000000, 0.0123669600000000 ] - [ 0.0001772500000000, -0.0000663600000000, 0.0005419100000000 ] - [ 0.0006887500000000, -0.0006757000000000, -0.0030339800000000 ] - [ 0.0003170000000000, -0.0002961200000000, -0.0003273500000000 ] - [ -0.0000358900000000, 0.0000000000000000, -0.0008907500000000 ] - [ -0.0001097300000000, 0.0000000000000000, -0.0004563600000000 ] - [ -0.0011400100000000, 0.0000000000000000, 0.0008422400000000 ] - [ -0.0003022600000000, 0.0000000000000000, 0.0002519700000000 ] - [ -0.0346245000000000, 0.0000000000000000, -0.0246663800000000 ] - [ -0.0001844000000000, 0.0000000000000000, 0.0005340800000000 ] - [ 0.0026798900000000, 0.0000000000000000, -0.0073965700000000 ] - [ 0.0001186800000000, 0.0000000000000000, -0.0003513400000000 ] - [ 0.0037609600000000, 0.0018020800000000, 0.0123669600000000 ] - [ 0.0001772500000000, 0.0000663600000000, 0.0005419100000000 ] - [ 0.0006887500000000, 0.0006757000000000, -0.0030339800000000 ] - [ 0.0003170000000000, 0.0002961200000000, -0.0003273500000000 ] - [ -0.0002310700000000, -0.0003490300000000, 0.0001121100000000 ] - [ -0.0013539000000000, 0.0014207000000000, -0.0000292400000000 ] - [ -0.0001653300000000, 0.0002259900000000, 0.0001506800000000 ] - [ -0.0000968800000000, 0.0000793100000000, 0.0002622400000000 ] - [ 0.0006592100000000, -0.0027843300000000, -0.0015355300000000 ] - [ 0.0001690600000000, 0.0010097700000000, -0.0003233100000000 ] - [ -0.0028149100000000, 0.0083075000000000, -0.0058132400000000 ] - [ -0.0001664000000000, -0.0022520500000000, 0.0000749300000000 ] - [ 0.0000497100000000, 0.0002544700000000, 0.0012673100000000 ] - [ 0.0001837000000000, 0.0001932200000000, 0.0002294600000000 ] - [ -0.0002424300000000, -0.0000571600000000, -0.0010101000000000 ] - [ -0.0000238100000000, 0.0000287600000000, -0.0004941800000000 ] - [ 0.0001690600000000, -0.0010097700000000, -0.0003233100000000 ] - [ 0.0006592100000000, 0.0027843300000000, -0.0015355300000000 ] - [ -0.0001664000000000, 0.0022520500000000, 0.0000749300000000 ] - [ -0.0028149100000000, -0.0083075000000000, -0.0058132400000000 ] - [ 0.0000497100000000, -0.0002544700000000, 0.0012673100000000 ] - [ 0.0001837000000000, -0.0001932200000000, 0.0002294600000000 ] - [ -0.0002424300000000, 0.0000571600000000, -0.0010101000000000 ] - [ -0.0000238100000000, -0.0000287600000000, -0.0004941800000000 ] - [ 0.1139056600000000, 0.0000000000000000, 0.1154985800000000 ] - [ -0.0000149600000000, 0.0000000000000000, 0.0003085400000000 ] - [ -0.0003361200000000, 0.0000000000000000, -0.0035347300000000 ] - [ -0.0001807100000000, 0.0000000000000000, -0.0007621400000000 ] - [ -0.0013539000000000, -0.0014207000000000, -0.0000292400000000 ] - [ -0.0002310700000000, 0.0003490300000000, 0.0001121100000000 ] - [ -0.0000968800000000, -0.0000793100000000, 0.0002622400000000 ] - [ -0.0001653300000000, -0.0002259900000000, 0.0001506800000000 ] - [ -0.0010149400000000, 0.0000000000000000, 0.0009419900000000 ] - [ -0.0003238700000000, 0.0000000000000000, 0.0004973600000000 ] - [ -0.0004617400000000, 0.0000000000000000, -0.0001536600000000 ] - [ -0.0002963100000000, 0.0000000000000000, 0.0000989500000000 ] - [ 0.0002851100000000, -0.0014843800000000, -0.0000908300000000 ] - [ 0.0002851100000000, 0.0014843800000000, -0.0000908300000000 ] - [ 0.0015330200000000, 0.0013610300000000, 0.0002205900000000 ] - [ 0.0015330200000000, -0.0013610300000000, 0.0002205900000000 ] - [ -0.0000685600000000, -0.0002633300000000, -0.0002412900000000 ] - [ -0.0000685600000000, 0.0002633300000000, -0.0002412900000000 ] - [ -0.0003576100000000, 0.0001452700000000, -0.0002421900000000 ] - [ -0.0003576100000000, -0.0001452700000000, -0.0002421900000000 ] - [ 0.0000044600000000, -0.0000452900000000, 0.0005221800000000 ] - [ 0.0000044600000000, 0.0000452900000000, 0.0005221800000000 ] - [ -0.0000391400000000, -0.0002075200000000, -0.0004694600000000 ] - [ -0.0000391400000000, 0.0002075200000000, -0.0004694600000000 ] - [ -0.0804557400000000, 0.0000000000000000, -0.0907871000000000 ] - [ -0.0000312900000000, 0.0000000000000000, -0.0009321300000000 ] - [ -0.0004734100000000, 0.0000000000000000, 0.0086039300000000 ] - [ -0.0003193900000000, 0.0000000000000000, 0.0007482900000000 ] - [ 0.0013206600000000, 0.0000000000000000, -0.0019278400000000 ] - [ 0.0001399000000000, 0.0000000000000000, -0.0004531200000000 ] - [ 0.0005850100000000, 0.0000000000000000, 0.0014671800000000 ] - [ 0.0002435200000000, 0.0000000000000000, 0.0007048300000000 ] - [ -0.0001738500000000, 0.0038708500000000, -0.0003326400000000 ] - [ -0.0001738500000000, -0.0038708500000000, -0.0003326400000000 ] - [ -0.0033416700000000, -0.0063363900000000, 0.0029129400000000 ] - [ -0.0033416700000000, 0.0063363900000000, 0.0029129400000000 ] - [ 0.0006632800000000, 0.0011855100000000, 0.0006627200000000 ] - [ 0.0006632800000000, -0.0011855100000000, 0.0006627200000000 ] - [ 0.0003815900000000, -0.0000582200000000, -0.0006441100000000 ] - [ 0.0003815900000000, 0.0000582200000000, -0.0006441100000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0128755900000000, 0.0073014700000000, 0.0005314900000000 ] - [ 0.0004688900000000, -0.0012348400000000, -0.0000762400000000 ] - [ -0.0002161100000000, -0.0004024800000000, -0.0006088900000000 ] - [ -0.0002425500000000, -0.0003949000000000, -0.0003686000000000 ] - [ -0.0017770100000000, 0.0008474400000000, 0.0056353300000000 ] - [ -0.0007048300000000, -0.0000414100000000, 0.0002599200000000 ] - [ -0.0032642000000000, 0.0021266300000000, -0.0086395100000000 ] - [ -0.0005960000000000, -0.0004671400000000, -0.0008391900000000 ] - [ 0.0023946200000000, 0.0006600900000000, -0.0007935900000000 ] - [ 0.0009816600000000, -0.0002148500000000, 0.0001838600000000 ] - [ 0.0022821800000000, 0.0003999100000000, 0.0010316300000000 ] - [ 0.0009205200000000, -0.0002343000000000, 0.0002780400000000 ] - [ 0.0001741600000000, -0.0011303000000000, 0.0004949500000000 ] - [ 0.0126282800000000, 0.0135930300000000, 0.0023400200000000 ] - [ 0.0001334200000000, -0.0003640200000000, 0.0000322500000000 ] - [ 0.0000154500000000, -0.0000756800000000, 0.0000119700000000 ] - [ 0.0023946200000000, -0.0006600900000000, -0.0007935900000000 ] - [ 0.0009816600000000, 0.0002148500000000, 0.0001838600000000 ] - [ 0.0022821800000000, -0.0003999100000000, 0.0010316300000000 ] - [ 0.0009205200000000, 0.0002343000000000, 0.0002780400000000 ] - [ 0.0126282800000000, -0.0135930300000000, 0.0023400200000000 ] - [ 0.0001741600000000, 0.0011303000000000, 0.0004949500000000 ] - [ 0.0000154500000000, 0.0000756800000000, 0.0000119700000000 ] - [ 0.0001334200000000, 0.0003640200000000, 0.0000322500000000 ] - [ 0.0004688900000000, 0.0012348400000000, -0.0000762400000000 ] - [ 0.0128755900000000, -0.0073014700000000, 0.0005314900000000 ] - [ -0.0002425500000000, 0.0003949000000000, -0.0003686000000000 ] - [ -0.0002161100000000, 0.0004024800000000, -0.0006088900000000 ] - [ -0.0017770100000000, -0.0008474400000000, 0.0056353300000000 ] - [ -0.0007048300000000, 0.0000414100000000, 0.0002599200000000 ] - [ -0.0032642000000000, -0.0021266300000000, -0.0086395100000000 ] - [ -0.0005960000000000, 0.0004671400000000, -0.0008391900000000 ] - [ -0.0071990300000000, 0.0035472900000000, 0.0004120100000000 ] - [ -0.0071990300000000, -0.0035472900000000, 0.0004120100000000 ] - [ -0.0007782400000000, -0.0000576700000000, -0.0000554100000000 ] - [ -0.0007782400000000, 0.0000576700000000, -0.0000554100000000 ] - [ 0.0026282400000000, 0.0000000000000000, 0.0020237000000000 ] - [ 0.0003658100000000, 0.0000000000000000, 0.0001639900000000 ] - [ 0.0023176100000000, 0.0000000000000000, -0.0013523400000000 ] - [ 0.0003622800000000, 0.0000000000000000, -0.0000268900000000 ] - [ -0.0003704300000000, 0.0000000000000000, -0.0130613100000000 ] - [ -0.0006060400000000, 0.0000000000000000, -0.0001020900000000 ] - [ 0.0011092700000000, 0.0000000000000000, 0.0166109900000000 ] - [ -0.0006093200000000, 0.0000000000000000, -0.0001678300000000 ] - [ 0.0018750200000000, -0.0007052000000000, -0.0000598600000000 ] - [ 0.0018750200000000, 0.0007052000000000, -0.0000598600000000 ] - [ 0.0009449800000000, -0.0001900600000000, -0.0001617600000000 ] - [ 0.0009449800000000, 0.0001900600000000, -0.0001617600000000 ] - [ 0.0024721100000000, 0.0061373800000000, 0.0025954400000000 ] - [ 0.0024721100000000, -0.0061373800000000, 0.0025954400000000 ] - [ 0.0021955100000000, 0.0016447100000000, -0.0010651800000000 ] - [ 0.0021955100000000, -0.0016447100000000, -0.0010651800000000 ] - [ 0.1192557900000000, -0.0926931500000000, -0.0366512300000000 ] - [ 0.0016089700000000, -0.0018145900000000, -0.0002310500000000 ] - [ 0.0013540300000000, -0.0008994800000000, -0.0000163700000000 ] - [ 0.0009029600000000, -0.0002415100000000, 0.0001590300000000 ] - [ -0.0020891500000000, 0.0000000000000000, 0.0001202000000000 ] - [ -0.0008493400000000, 0.0000000000000000, -0.0001431700000000 ] - [ -0.0043374800000000, 0.0000000000000000, -0.0002421900000000 ] - [ -0.0009408300000000, 0.0000000000000000, -0.0002117800000000 ] - [ 0.0660149400000000, 0.0000000000000000, 0.0016524000000000 ] - [ 0.0010386800000000, 0.0000000000000000, -0.0007478300000000 ] - [ 0.0053157200000000, 0.0000000000000000, 0.0002327600000000 ] - [ 0.0006074500000000, 0.0000000000000000, 0.0004973600000000 ] - [ 0.1192557900000000, 0.0926931500000000, -0.0366512300000000 ] - [ 0.0016089700000000, 0.0018145900000000, -0.0002310500000000 ] - [ 0.0013540300000000, 0.0008994800000000, -0.0000163700000000 ] - [ 0.0009029600000000, 0.0002415100000000, 0.0001590300000000 ] - [ -0.0007197500000000, -0.0010477600000000, -0.0003431800000000 ] - [ -0.0035318000000000, 0.0030343600000000, -0.0036206200000000 ] - [ -0.0004127900000000, -0.0010404600000000, 0.0007894200000000 ] - [ -0.0027458300000000, 0.0022331900000000, 0.0023381600000000 ] - [ 0.0002684800000000, 0.0036168800000000, 0.0031706000000000 ] - [ -0.0002752000000000, -0.0021234400000000, 0.0011847000000000 ] - [ -0.0007848700000000, 0.0088646200000000, -0.0072547700000000 ] - [ 0.0009178900000000, -0.0025554700000000, -0.0002114500000000 ] - [ -0.0082354800000000, -0.0003883800000000, -0.0003609300000000 ] - [ -0.0010096800000000, -0.0003642800000000, -0.0003035400000000 ] - [ -0.0013042200000000, -0.0001111200000000, -0.0004330200000000 ] - [ -0.0006363900000000, -0.0000922200000000, -0.0001635300000000 ] - [ -0.0002752000000000, 0.0021234400000000, 0.0011847000000000 ] - [ 0.0002684800000000, -0.0036168800000000, 0.0031706000000000 ] - [ 0.0009178900000000, 0.0025554700000000, -0.0002114500000000 ] - [ -0.0007848700000000, -0.0088646200000000, -0.0072547700000000 ] - [ -0.0082354800000000, 0.0003883800000000, -0.0003609300000000 ] - [ -0.0010096800000000, 0.0003642800000000, -0.0003035400000000 ] - [ -0.0013042200000000, 0.0001111200000000, -0.0004330200000000 ] - [ -0.0006363900000000, 0.0000922200000000, -0.0001635300000000 ] - [ 0.3008014900000000, 0.0000000000000000, 0.0834031900000000 ] - [ 0.0019163400000000, 0.0000000000000000, -0.0002337100000000 ] - [ 0.0022969600000000, 0.0000000000000000, 0.0002119300000000 ] - [ 0.0007793800000000, 0.0000000000000000, 0.0000463100000000 ] - [ -0.0035318000000000, -0.0030343600000000, -0.0036206200000000 ] - [ -0.0007197500000000, 0.0010477600000000, -0.0003431800000000 ] - [ -0.0027458300000000, -0.0022331900000000, 0.0023381600000000 ] - [ -0.0004127900000000, 0.0010404600000000, 0.0007894200000000 ] - [ -0.0128612200000000, 0.0000000000000000, 0.0015944400000000 ] - [ -0.0015972000000000, 0.0000000000000000, 0.0004177200000000 ] - [ -0.0021106300000000, 0.0000000000000000, 0.0008584800000000 ] - [ -0.0010857900000000, 0.0000000000000000, 0.0005079900000000 ] - [ 0.0044511400000000, 0.0000282600000000, 0.0004426900000000 ] - [ 0.0044511400000000, -0.0000282600000000, 0.0004426900000000 ] - [ 0.0070081100000000, -0.0008657300000000, 0.0036329100000000 ] - [ 0.0070081100000000, 0.0008657300000000, 0.0036329100000000 ] - [ -0.0025738100000000, -0.0003083600000000, 0.0001133200000000 ] - [ -0.0025738100000000, 0.0003083600000000, 0.0001133200000000 ] - [ -0.0027172000000000, -0.0001089400000000, 0.0003969900000000 ] - [ -0.0027172000000000, 0.0001089400000000, 0.0003969900000000 ] - [ -0.0025448500000000, -0.0016245000000000, 0.0014324400000000 ] - [ -0.0025448500000000, 0.0016245000000000, 0.0014324400000000 ] - [ -0.0007358300000000, -0.0008022400000000, -0.0009812400000000 ] - [ -0.0007358300000000, 0.0008022400000000, -0.0009812400000000 ] - [ -0.6276895500000000, 0.0000000000000000, -0.0132849100000000 ] - [ -0.0041845500000000, 0.0000000000000000, 0.0014359600000000 ] - [ -0.0024283300000000, 0.0000000000000000, -0.0002470300000000 ] - [ -0.0015676700000000, 0.0000000000000000, -0.0005024000000000 ] - [ 0.0170044000000000, 0.0000000000000000, -0.0003019500000000 ] - [ 0.0023114600000000, 0.0000000000000000, 0.0004148100000000 ] - [ 0.0030927100000000, 0.0000000000000000, 0.0000422300000000 ] - [ 0.0015727200000000, 0.0000000000000000, 0.0002002600000000 ] - [ -0.0049849900000000, -0.0059102500000000, -0.0055675300000000 ] - [ -0.0049849900000000, 0.0059102500000000, -0.0055675300000000 ] - [ -0.0095320000000000, -0.0089136900000000, 0.0023398000000000 ] - [ -0.0095320000000000, 0.0089136900000000, 0.0023398000000000 ] - [ 0.0041387500000000, 0.0040193300000000, 0.0014237400000000 ] - [ 0.0041387500000000, -0.0040193300000000, 0.0014237400000000 ] - [ 0.0041501600000000, 0.0031391500000000, -0.0023286600000000 ] - [ 0.0041501600000000, -0.0031391500000000, -0.0023286600000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0131015000000000, -0.0075809600000000, -0.0009625400000000 ] - [ -0.0005854000000000, 0.0010730500000000, -0.0003469300000000 ] - [ 0.0000974500000000, 0.0002432200000000, 0.0001868800000000 ] - [ 0.0001195500000000, 0.0002377600000000, -0.0000517400000000 ] - [ 0.0019443900000000, -0.0007044200000000, -0.0060489900000000 ] - [ 0.0008427700000000, 0.0002009700000000, -0.0006809900000000 ] - [ 0.0034348200000000, -0.0019676300000000, 0.0082211900000000 ] - [ 0.0007317400000000, 0.0006219400000000, 0.0004134900000000 ] - [ -0.0022714200000000, -0.0008178600000000, 0.0012101900000000 ] - [ -0.0008576800000000, 0.0000521000000000, 0.0002364000000000 ] - [ -0.0021645400000000, -0.0005571200000000, -0.0006059700000000 ] - [ -0.0008002300000000, 0.0000743200000000, 0.0001462700000000 ] - [ -0.0003054500000000, 0.0012879300000000, -0.0000708900000000 ] - [ -0.0126656000000000, -0.0133621900000000, -0.0018621700000000 ] - [ -0.0002670500000000, 0.0005263400000000, 0.0003891600000000 ] - [ -0.0001533800000000, 0.0002350700000000, 0.0004053700000000 ] - [ -0.0022714200000000, 0.0008178600000000, 0.0012101900000000 ] - [ -0.0008576800000000, -0.0000521000000000, 0.0002364000000000 ] - [ -0.0021645400000000, 0.0005571200000000, -0.0006059700000000 ] - [ -0.0008002300000000, -0.0000743200000000, 0.0001462700000000 ] - [ -0.0126656000000000, 0.0133621900000000, -0.0018621700000000 ] - [ -0.0003054500000000, -0.0012879300000000, -0.0000708900000000 ] - [ -0.0001533800000000, -0.0002350700000000, 0.0004053700000000 ] - [ -0.0002670500000000, -0.0005263400000000, 0.0003891600000000 ] - [ -0.0005854000000000, -0.0010730500000000, -0.0003469300000000 ] - [ -0.0131015000000000, 0.0075809600000000, -0.0009625400000000 ] - [ 0.0001195500000000, -0.0002377600000000, -0.0000517400000000 ] - [ 0.0000974500000000, -0.0002432200000000, 0.0001868800000000 ] - [ 0.0019443900000000, 0.0007044200000000, -0.0060489900000000 ] - [ 0.0008427700000000, -0.0002009700000000, -0.0006809900000000 ] - [ 0.0034348200000000, 0.0019676300000000, 0.0082211900000000 ] - [ 0.0007317400000000, -0.0006219400000000, 0.0004134900000000 ] - [ 0.0072983800000000, -0.0035515500000000, -0.0002265700000000 ] - [ 0.0072983800000000, 0.0035515500000000, -0.0002265700000000 ] - [ 0.0008811800000000, 0.0000584800000000, 0.0002396500000000 ] - [ 0.0008811800000000, -0.0000584800000000, 0.0002396500000000 ] - [ -0.0027440800000000, 0.0000000000000000, -0.0018600800000000 ] - [ -0.0004691700000000, 0.0000000000000000, 0.0000174000000000 ] - [ -0.0024194500000000, 0.0000000000000000, 0.0015500700000000 ] - [ -0.0004582500000000, 0.0000000000000000, 0.0002094300000000 ] - [ 0.0002778300000000, 0.0000000000000000, 0.0127688900000000 ] - [ 0.0005018000000000, 0.0000000000000000, -0.0000812900000000 ] - [ -0.0011936100000000, 0.0000000000000000, -0.0167231200000000 ] - [ 0.0005032100000000, 0.0000000000000000, -0.0000193100000000 ] - [ -0.0017723200000000, 0.0006953800000000, -0.0001249100000000 ] - [ -0.0017723200000000, -0.0006953800000000, -0.0001249100000000 ] - [ -0.0008439200000000, 0.0001883200000000, -0.0000181800000000 ] - [ -0.0008439200000000, -0.0001883200000000, -0.0000181800000000 ] - [ -0.0022046400000000, -0.0061160100000000, -0.0027813800000000 ] - [ -0.0022046400000000, 0.0061160100000000, -0.0027813800000000 ] - [ -0.0019460200000000, -0.0016493700000000, 0.0008736900000000 ] - [ -0.0019460200000000, 0.0016493700000000, 0.0008736900000000 ] - [ -0.1196635400000000, 0.0959157700000000, 0.0383685000000000 ] - [ -0.0012812100000000, 0.0015382800000000, 0.0004797100000000 ] - [ -0.0010367000000000, 0.0006444600000000, 0.0002730300000000 ] - [ -0.0005667000000000, -0.0000369600000000, 0.0000894200000000 ] - [ 0.0018436400000000, 0.0000000000000000, -0.0002982400000000 ] - [ 0.0006105900000000, 0.0000000000000000, -0.0000694200000000 ] - [ 0.0041043700000000, 0.0000000000000000, 0.0000358200000000 ] - [ 0.0006920300000000, 0.0000000000000000, 0.0000280100000000 ] - [ -0.0661870200000000, 0.0000000000000000, 0.0002868200000000 ] - [ -0.0012753800000000, 0.0000000000000000, 0.0009513500000000 ] - [ -0.0055616000000000, 0.0000000000000000, -0.0000263500000000 ] - [ -0.0008509500000000, 0.0000000000000000, -0.0002931600000000 ] - [ -0.1196635400000000, -0.0959157700000000, 0.0383685000000000 ] - [ -0.0012812100000000, -0.0015382800000000, 0.0004797100000000 ] - [ -0.0010367000000000, -0.0006444600000000, 0.0002730300000000 ] - [ -0.0005667000000000, 0.0000369600000000, 0.0000894200000000 ] - [ 0.0003785300000000, 0.0013288300000000, 0.0005978200000000 ] - [ 0.0032077800000000, -0.0027950300000000, 0.0038939100000000 ] - [ 0.0000728800000000, 0.0013171400000000, -0.0005413800000000 ] - [ 0.0024158500000000, -0.0019791200000000, -0.0020895500000000 ] - [ -0.0005798400000000, -0.0038679100000000, -0.0034075900000000 ] - [ -0.0000545200000000, 0.0018473000000000, -0.0014354800000000 ] - [ 0.0004707700000000, -0.0091198100000000, 0.0069888300000000 ] - [ -0.0012343300000000, 0.0022938000000000, -0.0000448600000000 ] - [ 0.0085738700000000, 0.0006633200000000, 0.0000956600000000 ] - [ 0.0013420500000000, 0.0006366600000000, 0.0000542200000000 ] - [ 0.0016388200000000, 0.0003818700000000, 0.0001772600000000 ] - [ 0.0009650800000000, 0.0003598300000000, -0.0000927500000000 ] - [ -0.0000545200000000, -0.0018473000000000, -0.0014354800000000 ] - [ -0.0005798400000000, 0.0038679100000000, -0.0034075900000000 ] - [ -0.0012343300000000, -0.0022938000000000, -0.0000448600000000 ] - [ 0.0004707700000000, 0.0091198100000000, 0.0069888300000000 ] - [ 0.0085738700000000, -0.0006633200000000, 0.0000956600000000 ] - [ 0.0013420500000000, -0.0006366600000000, 0.0000542200000000 ] - [ 0.0016388200000000, -0.0003818700000000, 0.0001772600000000 ] - [ 0.0009650800000000, -0.0003598300000000, -0.0000927500000000 ] - [ -0.2824918500000000, 0.0000000000000000, -0.0764580100000000 ] - [ -0.0023243100000000, 0.0000000000000000, -0.0003199900000000 ] - [ -0.0027012900000000, 0.0000000000000000, -0.0007616700000000 ] - [ -0.0011892900000000, 0.0000000000000000, -0.0005948000000000 ] - [ 0.0032077800000000, 0.0027950300000000, 0.0038939100000000 ] - [ 0.0003785300000000, -0.0013288300000000, 0.0005978200000000 ] - [ 0.0024158500000000, 0.0019791200000000, -0.0020895500000000 ] - [ 0.0000728800000000, -0.0013171400000000, -0.0005413800000000 ] - [ 0.0125415500000000, 0.0000000000000000, -0.0010607700000000 ] - [ 0.0011921200000000, 0.0000000000000000, 0.0001309700000000 ] - [ 0.0017038800000000, 0.0000000000000000, -0.0003068900000000 ] - [ 0.0006590300000000, 0.0000000000000000, 0.0000474200000000 ] - [ -0.0040157400000000, -0.0000360700000000, 0.0001026100000000 ] - [ -0.0040157400000000, 0.0000360700000000, 0.0001026100000000 ] - [ -0.0065780700000000, 0.0008531400000000, -0.0030624500000000 ] - [ -0.0065780700000000, -0.0008531400000000, -0.0030624500000000 ] - [ 0.0029906200000000, 0.0003211500000000, -0.0006622400000000 ] - [ 0.0029906200000000, -0.0003211500000000, -0.0006622400000000 ] - [ 0.0031163700000000, 0.0001108300000000, -0.0009485000000000 ] - [ 0.0031163700000000, -0.0001108300000000, -0.0009485000000000 ] - [ 0.0027842700000000, 0.0016341600000000, -0.0012494800000000 ] - [ 0.0027842700000000, -0.0016341600000000, -0.0012494800000000 ] - [ 0.0009789900000000, 0.0008127500000000, 0.0011902000000000 ] - [ 0.0009789900000000, -0.0008127500000000, 0.0011902000000000 ] - [ 0.6101677000000000, 0.0000000000000000, 0.0007498300000000 ] - [ 0.0041875600000000, 0.0000000000000000, -0.0016787000000000 ] - [ 0.0024431900000000, 0.0000000000000000, 0.0000100000000000 ] - [ 0.0015737500000000, 0.0000000000000000, 0.0002587600000000 ] - [ -0.0170707400000000, 0.0000000000000000, 0.0005871400000000 ] - [ -0.0023068300000000, 0.0000000000000000, -0.0001792400000000 ] - [ -0.0030833100000000, 0.0000000000000000, 0.0001855400000000 ] - [ -0.0015511900000000, 0.0000000000000000, 0.0000468700000000 ] - [ 0.0049211200000000, 0.0058982900000000, 0.0057909300000000 ] - [ 0.0049211200000000, -0.0058982900000000, 0.0057909300000000 ] - [ 0.0094870300000000, 0.0089046200000000, -0.0020937900000000 ] - [ 0.0094870300000000, -0.0089046200000000, -0.0020937900000000 ] - [ -0.0041575100000000, -0.0040496900000000, -0.0016759000000000 ] - [ -0.0041575100000000, 0.0040496900000000, -0.0016759000000000 ] - [ -0.0041489800000000, -0.0031579400000000, 0.0020942100000000 ] - [ -0.0041489800000000, 0.0031579400000000, 0.0020942100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0145254800000000, -0.0002365900000000, 0.0023116400000000 ] - [ -0.0009149700000000, 0.0026603500000000, -0.0004483000000000 ] - [ -0.0000615500000000, -0.0012483700000000, -0.0008430500000000 ] - [ -0.0000507500000000, 0.0010157300000000, 0.0000814700000000 ] - [ 0.0005647500000000, -0.0010484100000000, 0.0103084100000000 ] - [ -0.0000900600000000, 0.0021228700000000, -0.0009140600000000 ] - [ 0.0012085400000000, -0.0000582600000000, -0.0148476700000000 ] - [ -0.0001464100000000, 0.0027693200000000, 0.0005230000000000 ] - [ 0.0004687000000000, -0.0011641400000000, 0.0002099000000000 ] - [ -0.0003739400000000, 0.0009991700000000, 0.0002732900000000 ] - [ 0.0002152900000000, -0.0011467200000000, 0.0003487800000000 ] - [ -0.0001144600000000, 0.0009758800000000, 0.0000449300000000 ] - [ -0.0008356400000000, 0.0021432500000000, -0.0001938000000000 ] - [ 0.0060300700000000, -0.0012462200000000, 0.0016498900000000 ] - [ -0.0003066400000000, 0.0011829600000000, 0.0004795800000000 ] - [ 0.0001378200000000, -0.0010337800000000, -0.0000802300000000 ] - [ -0.0003412900000000, -0.0009985800000000, 0.0002159800000000 ] - [ 0.0005069200000000, 0.0011592000000000, 0.0001451900000000 ] - [ -0.0000988700000000, -0.0009817100000000, 0.0000650900000000 ] - [ 0.0002390000000000, 0.0011335300000000, 0.0003789000000000 ] - [ -0.0061012800000000, -0.0013920000000000, -0.0012226100000000 ] - [ 0.0007217900000000, 0.0019928400000000, 0.0006242300000000 ] - [ -0.0002670300000000, -0.0011849200000000, 0.0005002700000000 ] - [ 0.0001825100000000, 0.0010221100000000, -0.0000627300000000 ] - [ 0.0007914800000000, 0.0028319300000000, 0.0000240500000000 ] - [ -0.0147137600000000, -0.0000928300000000, -0.0027149000000000 ] - [ -0.0000752300000000, 0.0011803000000000, -0.0005045100000000 ] - [ -0.0000568100000000, -0.0010899600000000, 0.0004221200000000 ] - [ -0.0004815600000000, -0.0012249100000000, -0.0107965900000000 ] - [ 0.0002091800000000, 0.0019599300000000, 0.0004896600000000 ] - [ -0.0011225300000000, -0.0002386400000000, 0.0144839600000000 ] - [ 0.0002602000000000, 0.0026116000000000, -0.0009411800000000 ] - [ -0.0038531600000000, 0.0175118100000000, -0.0023723000000000 ] - [ 0.0039455900000000, 0.0176806700000000, 0.0026152900000000 ] - [ 0.0004400200000000, -0.0000029500000000, 0.0003095700000000 ] - [ -0.0003391900000000, -0.0000088700000000, -0.0001283900000000 ] - [ -0.0000420100000000, -0.0033850600000000, 0.0000973200000000 ] - [ -0.0000517000000000, 0.0017431700000000, 0.0000898500000000 ] - [ -0.0000432500000000, -0.0034534300000000, 0.0000864600000000 ] - [ -0.0000480000000000, 0.0019153300000000, 0.0000923500000000 ] - [ -0.0000550200000000, -0.0032467300000000, -0.0000717100000000 ] - [ -0.0000488100000000, 0.0021060600000000, -0.0000917600000000 ] - [ -0.0000662600000000, -0.0043409300000000, -0.0001049800000000 ] - [ -0.0000486900000000, 0.0020744000000000, -0.0000888500000000 ] - [ 0.0009440200000000, 0.0000672200000000, 0.0001442800000000 ] - [ -0.0008338600000000, 0.0000622000000000, -0.0003302000000000 ] - [ 0.0004924600000000, 0.0000484200000000, -0.0003052100000000 ] - [ -0.0003858200000000, 0.0000448600000000, 0.0001186800000000 ] - [ 0.0057301600000000, -0.0037664900000000, -0.0040371600000000 ] - [ -0.0055400400000000, -0.0037968000000000, 0.0038859000000000 ] - [ 0.0017610800000000, 0.0000971900000000, 0.0016338100000000 ] - [ -0.0015248700000000, 0.0001089600000000, -0.0018374500000000 ] - [ -0.0980890000000000, 0.2341291600000000, 0.0682089300000000 ] - [ 0.0011978700000000, -0.0078202400000000, -0.0006500800000000 ] - [ -0.0009258700000000, 0.0029973000000000, 0.0007121200000000 ] - [ 0.0006530800000000, -0.0027809800000000, -0.0003809400000000 ] - [ -0.0001257000000000, 0.0017249000000000, -0.0000940900000000 ] - [ -0.0001172200000000, -0.0015304700000000, -0.0001126100000000 ] - [ -0.0001280500000000, 0.0018889000000000, -0.0000910600000000 ] - [ -0.0001258100000000, -0.0017870000000000, -0.0000930200000000 ] - [ -0.0001536400000000, 0.0655880400000000, 0.0009697300000000 ] - [ -0.0001136800000000, -0.0031219000000000, 0.0001096200000000 ] - [ -0.0001223300000000, 0.0059492300000000, 0.0001084000000000 ] - [ -0.0001197200000000, -0.0024930700000000, 0.0001026200000000 ] - [ 0.0907673700000000, 0.2235205700000000, -0.0626823000000000 ] - [ -0.0008661900000000, -0.0075659100000000, 0.0008989400000000 ] - [ 0.0012518700000000, 0.0032431000000000, -0.0004457900000000 ] - [ -0.0003056300000000, -0.0025024700000000, 0.0006271500000000 ] - [ -0.0008109900000000, -0.0021686600000000, -0.0004832100000000 ] - [ 0.0045612600000000, -0.0012739400000000, 0.0050612200000000 ] - [ -0.0003067300000000, -0.0025631000000000, 0.0013158300000000 ] - [ 0.0038549800000000, -0.0010246800000000, -0.0040486700000000 ] - [ 0.0014908000000000, 0.0019396100000000, -0.0020684700000000 ] - [ -0.0019130500000000, -0.0029110200000000, 0.0019332900000000 ] - [ 0.0020495800000000, 0.0020563300000000, 0.0000410800000000 ] - [ -0.0023577200000000, -0.0022237000000000, -0.0002739600000000 ] - [ 0.0010601400000000, 0.0027977400000000, 0.0002578700000000 ] - [ -0.0006087300000000, -0.0024484800000000, -0.0005098200000000 ] - [ 0.0007506000000000, 0.0021147200000000, 0.0002466600000000 ] - [ -0.0003758200000000, -0.0017867300000000, -0.0004831100000000 ] - [ 0.0015515000000000, -0.0026337900000000, -0.0021681200000000 ] - [ -0.0018253300000000, 0.0022471700000000, 0.0018320900000000 ] - [ 0.0020290900000000, -0.0019641600000000, 0.0000139700000000 ] - [ -0.0023772200000000, 0.0023433700000000, -0.0002951200000000 ] - [ -0.0007411800000000, 0.0025518400000000, -0.0005221500000000 ] - [ 0.0009338800000000, -0.0027229000000000, 0.0002660500000000 ] - [ -0.0004212400000000, 0.0018513200000000, -0.0005072600000000 ] - [ 0.0007006600000000, -0.0020552000000000, 0.0002246500000000 ] - [ -0.0010718000000000, 0.0640700800000000, -0.0005328200000000 ] - [ -0.0002053500000000, -0.0033854900000000, -0.0002765400000000 ] - [ -0.0002033300000000, 0.0016692200000000, -0.0002757300000000 ] - [ -0.0002038700000000, -0.0018396800000000, -0.0002714700000000 ] - [ -0.0048724600000000, -0.0015510200000000, -0.0048057200000000 ] - [ 0.0004752700000000, -0.0024313900000000, 0.0007480700000000 ] - [ -0.0041935000000000, -0.0013119600000000, 0.0043258000000000 ] - [ -0.0000221400000000, -0.0028164200000000, -0.0010652300000000 ] - [ -0.0002257900000000, 0.0053125500000000, 0.0002698000000000 ] - [ -0.0001996700000000, -0.0022733200000000, 0.0002724500000000 ] - [ -0.0002072600000000, 0.0020721800000000, 0.0002763800000000 ] - [ -0.0002160400000000, -0.0016419800000000, 0.0002766600000000 ] - [ 0.0022930300000000, -0.0014492100000000, -0.0035772900000000 ] - [ -0.0018867300000000, -0.0014636600000000, 0.0041574600000000 ] - [ 0.0059459300000000, -0.0046051600000000, 0.0066116400000000 ] - [ -0.0055484100000000, -0.0046166300000000, -0.0060956100000000 ] - [ -0.0013467200000000, -0.0007739700000000, -0.0003227400000000 ] - [ 0.0017642500000000, -0.0007838200000000, -0.0002282000000000 ] - [ -0.0020490300000000, -0.0006217500000000, 0.0009160800000000 ] - [ 0.0024363100000000, -0.0006131700000000, -0.0014612000000000 ] - [ -0.0036961800000000, -0.0027042200000000, 0.0022204800000000 ] - [ 0.0039275100000000, -0.0026779300000000, -0.0020287900000000 ] - [ -0.0005088800000000, -0.0010190900000000, -0.0012574000000000 ] - [ 0.0007488400000000, -0.0010198900000000, 0.0014682800000000 ] - [ 0.0086964800000000, -0.6053326400000000, -0.0060910700000000 ] - [ 0.0000067600000000, 0.0109417300000000, -0.0001319400000000 ] - [ 0.0000109800000000, -0.0046247400000000, -0.0001226200000000 ] - [ -0.0000022100000000, 0.0047736200000000, -0.0001234700000000 ] - [ 0.0000192200000000, -0.0043468300000000, 0.0001194800000000 ] - [ 0.0000030200000000, 0.0047613600000000, 0.0001217400000000 ] - [ 0.0000112300000000, -0.0037317700000000, 0.0001183900000000 ] - [ 0.0000138200000000, 0.0035575200000000, 0.0001275300000000 ] - [ -0.0058838500000000, 0.0020711700000000, 0.0086594400000000 ] - [ 0.0059180000000000, 0.0020478600000000, -0.0085164200000000 ] - [ -0.0088959500000000, 0.0005252200000000, -0.0034653800000000 ] - [ 0.0089128500000000, 0.0005077000000000, 0.0037303500000000 ] - [ 0.0031378300000000, 0.0047317600000000, 0.0021477100000000 ] - [ -0.0031593600000000, 0.0047281600000000, -0.0023998600000000 ] - [ 0.0040439900000000, 0.0047485200000000, -0.0042124200000000 ] - [ -0.0040302600000000, 0.0047182400000000, 0.0039575300000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0031350400000000, 0.0002346500000000, -0.0052334700000000 ] - [ -0.0004727600000000, 0.0005699600000000, -0.0010934700000000 ] - [ 0.0008046900000000, 0.0002909200000000, 0.0017063700000000 ] - [ -0.0000026900000000, -0.0002167900000000, 0.0005374900000000 ] - [ 0.0079210800000000, 0.0154494800000000, 0.0095003500000000 ] - [ 0.0006640000000000, -0.0010399300000000, -0.0004996600000000 ] - [ -0.0034142500000000, -0.0068975000000000, 0.0099376000000000 ] - [ -0.0000959300000000, 0.0009229100000000, 0.0002200400000000 ] - [ -0.0008008500000000, 0.0003361400000000, -0.0010984500000000 ] - [ -0.0002601300000000, 0.0002760600000000, -0.0001614800000000 ] - [ 0.0005465300000000, -0.0001006800000000, 0.0011331300000000 ] - [ 0.0001966900000000, -0.0003900200000000, 0.0005254900000000 ] - [ -0.0000188200000000, 0.0000230100000000, -0.0005345000000000 ] - [ 0.0034685700000000, 0.0043131600000000, -0.0014571200000000 ] - [ -0.0001522700000000, 0.0001843400000000, 0.0010812800000000 ] - [ -0.0009531900000000, -0.0007594200000000, 0.0022657400000000 ] - [ -0.0008008500000000, -0.0003361400000000, -0.0010984500000000 ] - [ -0.0002601300000000, -0.0002760600000000, -0.0001614800000000 ] - [ 0.0005465300000000, 0.0001006800000000, 0.0011331300000000 ] - [ 0.0001966900000000, 0.0003900200000000, 0.0005254900000000 ] - [ 0.0034685700000000, -0.0043131600000000, -0.0014571200000000 ] - [ -0.0000188200000000, -0.0000230100000000, -0.0005345000000000 ] - [ -0.0009531900000000, 0.0007594200000000, 0.0022657400000000 ] - [ -0.0001522700000000, -0.0001843400000000, 0.0010812800000000 ] - [ -0.0004727600000000, -0.0005699600000000, -0.0010934700000000 ] - [ -0.0031350400000000, -0.0002346500000000, -0.0052334700000000 ] - [ -0.0000026900000000, 0.0002167900000000, 0.0005374900000000 ] - [ 0.0008046900000000, -0.0002909200000000, 0.0017063700000000 ] - [ 0.0079210800000000, -0.0154494800000000, 0.0095003500000000 ] - [ 0.0006640000000000, 0.0010399300000000, -0.0004996600000000 ] - [ -0.0034142500000000, 0.0068975000000000, 0.0099376000000000 ] - [ -0.0000959300000000, -0.0009229100000000, 0.0002200400000000 ] - [ 0.0020380900000000, -0.0051001300000000, -0.0019626600000000 ] - [ 0.0020380900000000, 0.0051001300000000, -0.0019626600000000 ] - [ -0.0002338300000000, 0.0012048100000000, 0.0022428100000000 ] - [ -0.0002338300000000, -0.0012048100000000, 0.0022428100000000 ] - [ 0.0041478500000000, 0.0000000000000000, -0.0010115600000000 ] - [ 0.0000964400000000, 0.0000000000000000, -0.0001873100000000 ] - [ -0.0012136700000000, 0.0000000000000000, 0.0017034500000000 ] - [ -0.0002538300000000, 0.0000000000000000, 0.0003807200000000 ] - [ -0.0174500800000000, 0.0000000000000000, 0.0091854600000000 ] - [ 0.0000863000000000, 0.0000000000000000, -0.0001842600000000 ] - [ 0.0072225500000000, 0.0000000000000000, 0.0096679400000000 ] - [ -0.0001182300000000, 0.0000000000000000, 0.0000132300000000 ] - [ -0.0000990000000000, -0.0004669600000000, -0.0010458400000000 ] - [ -0.0000990000000000, 0.0004669600000000, -0.0010458400000000 ] - [ 0.0001030800000000, 0.0001030300000000, 0.0007265400000000 ] - [ 0.0001030800000000, -0.0001030300000000, 0.0007265400000000 ] - [ -0.0000811800000000, 0.0006366800000000, 0.0058963000000000 ] - [ -0.0000811800000000, -0.0006366800000000, 0.0058963000000000 ] - [ 0.0000914200000000, 0.0000100300000000, -0.0037167400000000 ] - [ 0.0000914200000000, -0.0000100300000000, -0.0037167400000000 ] - [ -0.0378104200000000, 0.0661365300000000, 0.0897189000000000 ] - [ -0.0002986800000000, 0.0012011500000000, 0.0011913500000000 ] - [ 0.0003929000000000, -0.0002684000000000, -0.0086695400000000 ] - [ 0.0001751600000000, -0.0007347800000000, -0.0009831600000000 ] - [ -0.0000882200000000, 0.0000000000000000, -0.0005481800000000 ] - [ -0.0000048400000000, 0.0000000000000000, -0.0005373900000000 ] - [ -0.0002618300000000, 0.0000000000000000, -0.0004145800000000 ] - [ -0.0000642300000000, 0.0000000000000000, 0.0002402900000000 ] - [ 0.0007967300000000, 0.0000000000000000, 0.2958562900000000 ] - [ -0.0005517800000000, 0.0000000000000000, 0.0020654600000000 ] - [ -0.0002147800000000, 0.0000000000000000, -0.0161297500000000 ] - [ 0.0000022800000000, 0.0000000000000000, -0.0013860300000000 ] - [ -0.0378104200000000, -0.0661365300000000, 0.0897189000000000 ] - [ -0.0002986800000000, -0.0012011500000000, 0.0011913500000000 ] - [ 0.0003929000000000, 0.0002684000000000, -0.0086695400000000 ] - [ 0.0001751600000000, 0.0007347800000000, -0.0009831600000000 ] - [ -0.0002085200000000, -0.0014938900000000, 0.0006730300000000 ] - [ -0.0045972600000000, 0.0052073800000000, 0.0014723100000000 ] - [ -0.0001485400000000, 0.0011463300000000, -0.0005621200000000 ] - [ 0.0013866200000000, -0.0013917000000000, -0.0017306400000000 ] - [ 0.0043263000000000, -0.0047443000000000, 0.0005904000000000 ] - [ 0.0011331000000000, 0.0020038300000000, 0.0006585400000000 ] - [ -0.0016509000000000, 0.0023667700000000, -0.0028430700000000 ] - [ -0.0009077100000000, -0.0014450200000000, -0.0004977700000000 ] - [ -0.0009085000000000, 0.0011707800000000, 0.0008646900000000 ] - [ 0.0003856600000000, 0.0001815400000000, 0.0005058700000000 ] - [ 0.0003048700000000, -0.0001332900000000, -0.0012588600000000 ] - [ 0.0001616600000000, 0.0000898200000000, -0.0007371100000000 ] - [ 0.0011331000000000, -0.0020038300000000, 0.0006585400000000 ] - [ 0.0043263000000000, 0.0047443000000000, 0.0005904000000000 ] - [ -0.0009077100000000, 0.0014450200000000, -0.0004977700000000 ] - [ -0.0016509000000000, -0.0023667700000000, -0.0028430700000000 ] - [ -0.0009085000000000, -0.0011707800000000, 0.0008646900000000 ] - [ 0.0003856600000000, -0.0001815400000000, 0.0005058700000000 ] - [ 0.0003048700000000, 0.0001332900000000, -0.0012588600000000 ] - [ 0.0001616600000000, -0.0000898200000000, -0.0007371100000000 ] - [ 0.0802276400000000, 0.0000000000000000, 0.0903369600000000 ] - [ -0.0007131500000000, 0.0000000000000000, 0.0005193700000000 ] - [ -0.0004239500000000, 0.0000000000000000, -0.0090311400000000 ] - [ -0.0003128900000000, 0.0000000000000000, -0.0011451300000000 ] - [ -0.0045972600000000, -0.0052073800000000, 0.0014723100000000 ] - [ -0.0002085200000000, 0.0014938900000000, 0.0006730300000000 ] - [ 0.0013866200000000, 0.0013917000000000, -0.0017306400000000 ] - [ -0.0001485400000000, -0.0011463300000000, -0.0005621200000000 ] - [ 0.0011801300000000, 0.0000000000000000, 0.0023289200000000 ] - [ -0.0000994500000000, 0.0000000000000000, 0.0008422500000000 ] - [ -0.0006016700000000, 0.0000000000000000, -0.0010708900000000 ] - [ -0.0000894900000000, 0.0000000000000000, -0.0002949400000000 ] - [ 0.0026119900000000, -0.0067549700000000, 0.0007083200000000 ] - [ 0.0026119900000000, 0.0067549700000000, 0.0007083200000000 ] - [ -0.0014084000000000, 0.0027310000000000, -0.0025053300000000 ] - [ -0.0014084000000000, -0.0027310000000000, -0.0025053300000000 ] - [ -0.0010866300000000, -0.0008511800000000, 0.0002455100000000 ] - [ -0.0010866300000000, 0.0008511800000000, 0.0002455100000000 ] - [ 0.0009893900000000, 0.0004470800000000, -0.0010632000000000 ] - [ 0.0009893900000000, -0.0004470800000000, -0.0010632000000000 ] - [ 0.0015626000000000, 0.0011842600000000, -0.0001642600000000 ] - [ 0.0015626000000000, -0.0011842600000000, -0.0001642600000000 ] - [ -0.0004808600000000, -0.0008026700000000, -0.0011916200000000 ] - [ -0.0004808600000000, 0.0008026700000000, -0.0011916200000000 ] - [ -0.0069513700000000, 0.0000000000000000, -0.5934578700000001 ] - [ 0.0015497300000000, 0.0000000000000000, -0.0033412500000000 ] - [ -0.0001292600000000, 0.0000000000000000, 0.0230412900000000 ] - [ -0.0003759400000000, 0.0000000000000000, 0.0021923400000000 ] - [ 0.0004450800000000, 0.0000000000000000, 0.0004010300000000 ] - [ -0.0002904300000000, 0.0000000000000000, -0.0006387800000000 ] - [ 0.0000743000000000, 0.0000000000000000, 0.0016122200000000 ] - [ -0.0000742200000000, 0.0000000000000000, 0.0010221200000000 ] - [ -0.0056764600000000, 0.0085839100000000, -0.0069226200000000 ] - [ -0.0056764600000000, -0.0085839100000000, -0.0069226200000000 ] - [ 0.0022207200000000, -0.0036105500000000, 0.0050870300000000 ] - [ 0.0022207200000000, 0.0036105500000000, 0.0050870300000000 ] - [ 0.0022057300000000, 0.0040807300000000, 0.0012233300000000 ] - [ 0.0022057300000000, -0.0040807300000000, 0.0012233300000000 ] - [ -0.0015608700000000, -0.0022921800000000, 0.0012051300000000 ] - [ -0.0015608700000000, 0.0022921800000000, 0.0012051300000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0030042600000000, -0.0003723800000000, 0.0048144900000000 ] - [ 0.0003348000000000, -0.0007355900000000, 0.0006759700000000 ] - [ -0.0009601300000000, -0.0004528100000000, -0.0021267500000000 ] - [ -0.0001284400000000, 0.0000580700000000, -0.0009548400000000 ] - [ -0.0078327700000000, -0.0153920000000000, -0.0100222100000000 ] - [ -0.0005278400000000, 0.0012012200000000, 0.0000898300000000 ] - [ 0.0035010600000000, 0.0069529100000000, -0.0102821400000000 ] - [ 0.0002384600000000, -0.0007649300000000, -0.0006402400000000 ] - [ 0.0009447400000000, -0.0004959300000000, 0.0015246000000000 ] - [ 0.0004000300000000, -0.0004322900000000, 0.0005816800000000 ] - [ -0.0003952900000000, -0.0000603500000000, -0.0007130600000000 ] - [ -0.0000495800000000, 0.0002314800000000, -0.0001029400000000 ] - [ -0.0001222900000000, 0.0001359000000000, 0.0009487600000000 ] - [ -0.0036169000000000, -0.0041583700000000, 0.0018530500000000 ] - [ 0.0000174100000000, -0.0000268900000000, -0.0006605300000000 ] - [ 0.0008114800000000, 0.0009193800000000, -0.0018460400000000 ] - [ 0.0009447400000000, 0.0004959300000000, 0.0015246000000000 ] - [ 0.0004000300000000, 0.0004322900000000, 0.0005816800000000 ] - [ -0.0003952900000000, 0.0000603500000000, -0.0007130600000000 ] - [ -0.0000495800000000, -0.0002314800000000, -0.0001029400000000 ] - [ -0.0036169000000000, 0.0041583700000000, 0.0018530500000000 ] - [ -0.0001222900000000, -0.0001359000000000, 0.0009487600000000 ] - [ 0.0008114800000000, -0.0009193800000000, -0.0018460400000000 ] - [ 0.0000174100000000, 0.0000268900000000, -0.0006605300000000 ] - [ 0.0003348000000000, 0.0007355900000000, 0.0006759700000000 ] - [ 0.0030042600000000, 0.0003723800000000, 0.0048144900000000 ] - [ -0.0001284400000000, -0.0000580700000000, -0.0009548400000000 ] - [ -0.0009601300000000, 0.0004528100000000, -0.0021267500000000 ] - [ -0.0078327700000000, 0.0153920000000000, -0.0100222100000000 ] - [ -0.0005278400000000, -0.0012012200000000, 0.0000898300000000 ] - [ 0.0035010600000000, -0.0069529100000000, -0.0102821400000000 ] - [ 0.0002384600000000, 0.0007649300000000, -0.0006402400000000 ] - [ -0.0019280200000000, 0.0051098100000000, 0.0021247900000000 ] - [ -0.0019280200000000, -0.0051098100000000, 0.0021247900000000 ] - [ 0.0003461700000000, -0.0012137600000000, -0.0020528500000000 ] - [ 0.0003461700000000, 0.0012137600000000, -0.0020528500000000 ] - [ -0.0042577300000000, 0.0000000000000000, 0.0012135200000000 ] - [ -0.0001986600000000, 0.0000000000000000, 0.0003695100000000 ] - [ 0.0010961700000000, 0.0000000000000000, -0.0015268400000000 ] - [ 0.0001414000000000, 0.0000000000000000, -0.0001886600000000 ] - [ 0.0174647100000000, 0.0000000000000000, -0.0094708000000000 ] - [ -0.0002044900000000, 0.0000000000000000, -0.0000073400000000 ] - [ -0.0072273700000000, 0.0000000000000000, -0.0097814400000000 ] - [ 0.0000015700000000, 0.0000000000000000, -0.0002084800000000 ] - [ 0.0002040400000000, 0.0004696000000000, 0.0008618700000000 ] - [ 0.0002040400000000, -0.0004696000000000, 0.0008618700000000 ] - [ 0.0000105800000000, -0.0001034500000000, -0.0009148400000000 ] - [ 0.0000105800000000, 0.0001034500000000, -0.0009148400000000 ] - [ 0.0003353300000000, -0.0006592100000000, -0.0061269200000000 ] - [ 0.0003353300000000, 0.0006592100000000, -0.0061269200000000 ] - [ 0.0001412700000000, -0.0000076000000000, 0.0035125700000000 ] - [ 0.0001412700000000, 0.0000076000000000, 0.0035125700000000 ] - [ 0.0376111300000000, -0.0654564400000000, -0.0900917600000000 ] - [ 0.0006469600000000, -0.0014897600000000, -0.0009481200000000 ] - [ -0.0000402200000000, -0.0000215700000000, 0.0088818800000000 ] - [ 0.0001700800000000, 0.0004581900000000, 0.0012374300000000 ] - [ -0.0001535700000000, 0.0000000000000000, 0.0003342400000000 ] - [ -0.0002356800000000, 0.0000000000000000, 0.0003232400000000 ] - [ 0.0000223700000000, 0.0000000000000000, 0.0002223200000000 ] - [ -0.0001784200000000, 0.0000000000000000, -0.0004426200000000 ] - [ -0.0011617500000000, 0.0000000000000000, -0.3177955000000000 ] - [ 0.0003145400000000, 0.0000000000000000, -0.0018669300000000 ] - [ -0.0000264200000000, 0.0000000000000000, 0.0161593900000000 ] - [ -0.0002339000000000, 0.0000000000000000, 0.0016111900000000 ] - [ 0.0376111300000000, 0.0654564400000000, -0.0900917600000000 ] - [ 0.0006469600000000, 0.0014897600000000, -0.0009481200000000 ] - [ -0.0000402200000000, 0.0000215700000000, 0.0088818800000000 ] - [ 0.0001700800000000, -0.0004581900000000, 0.0012374300000000 ] - [ -0.0001330700000000, 0.0017721000000000, -0.0004275700000000 ] - [ 0.0042663500000000, -0.0049423600000000, -0.0012381800000000 ] - [ -0.0001959300000000, -0.0008621800000000, 0.0008239100000000 ] - [ -0.0017032600000000, 0.0016473700000000, 0.0019953100000000 ] - [ -0.0046770100000000, 0.0044822500000000, -0.0008610700000000 ] - [ -0.0014791200000000, -0.0022849100000000, -0.0009234700000000 ] - [ 0.0012895800000000, -0.0026267100000000, 0.0025955200000000 ] - [ 0.0005563200000000, 0.0011582000000000, 0.0002534400000000 ] - [ 0.0012525000000000, -0.0009085000000000, -0.0011203800000000 ] - [ -0.0000438100000000, 0.0001005900000000, -0.0007610500000000 ] - [ 0.0000360200000000, 0.0004123500000000, 0.0010105200000000 ] - [ 0.0001759700000000, 0.0001863300000000, 0.0004877800000000 ] - [ -0.0014791200000000, 0.0022849100000000, -0.0009234700000000 ] - [ -0.0046770100000000, -0.0044822500000000, -0.0008610700000000 ] - [ 0.0005563200000000, -0.0011582000000000, 0.0002534400000000 ] - [ 0.0012895800000000, 0.0026267100000000, 0.0025955200000000 ] - [ 0.0012525000000000, 0.0009085000000000, -0.0011203800000000 ] - [ -0.0000438100000000, -0.0001005900000000, -0.0007610500000000 ] - [ 0.0000360200000000, -0.0004123500000000, 0.0010105200000000 ] - [ 0.0001759700000000, -0.0001863300000000, 0.0004877800000000 ] - [ -0.0794431800000000, 0.0000000000000000, -0.0915325300000000 ] - [ 0.0002877600000000, 0.0000000000000000, -0.0010748300000000 ] - [ -0.0000237400000000, 0.0000000000000000, 0.0084387900000000 ] - [ -0.0001105800000000, 0.0000000000000000, 0.0005949500000000 ] - [ 0.0042663500000000, 0.0049423600000000, -0.0012381800000000 ] - [ -0.0001330700000000, -0.0017721000000000, -0.0004275700000000 ] - [ -0.0017032600000000, -0.0016473700000000, 0.0019953100000000 ] - [ -0.0001959300000000, 0.0008621800000000, 0.0008239100000000 ] - [ -0.0016220800000000, 0.0000000000000000, -0.0017757600000000 ] - [ -0.0003201700000000, 0.0000000000000000, -0.0002952300000000 ] - [ 0.0001867100000000, 0.0000000000000000, 0.0016235900000000 ] - [ -0.0003391100000000, 0.0000000000000000, 0.0008531900000000 ] - [ -0.0021977500000000, 0.0067713000000000, -0.0001762800000000 ] - [ -0.0021977500000000, -0.0067713000000000, -0.0001762800000000 ] - [ 0.0018300500000000, -0.0027053100000000, 0.0030667100000000 ] - [ 0.0018300500000000, 0.0027053100000000, 0.0030667100000000 ] - [ 0.0015127400000000, 0.0008512500000000, -0.0008054700000000 ] - [ 0.0015127400000000, -0.0008512500000000, -0.0008054700000000 ] - [ -0.0005644600000000, -0.0004458800000000, 0.0005205000000000 ] - [ -0.0005644600000000, 0.0004458800000000, 0.0005205000000000 ] - [ -0.0013328900000000, -0.0011913800000000, 0.0003851000000000 ] - [ -0.0013328900000000, 0.0011913800000000, 0.0003851000000000 ] - [ 0.0007233800000000, 0.0008038200000000, 0.0013940900000000 ] - [ 0.0007233800000000, -0.0008038200000000, 0.0013940900000000 ] - [ 0.0069465700000000, 0.0000000000000000, 0.6175362200000000 ] - [ -0.0015552700000000, 0.0000000000000000, 0.0031181600000000 ] - [ 0.0001389900000000, 0.0000000000000000, -0.0230929400000000 ] - [ 0.0003825700000000, 0.0000000000000000, -0.0024509500000000 ] - [ -0.0004362700000000, 0.0000000000000000, -0.0001735700000000 ] - [ 0.0002963800000000, 0.0000000000000000, 0.0008784300000000 ] - [ -0.0000688400000000, 0.0000000000000000, -0.0013682800000000 ] - [ 0.0000877200000000, 0.0000000000000000, -0.0007807400000000 ] - [ 0.0056750600000000, -0.0085857600000000, 0.0072265200000000 ] - [ 0.0056750600000000, 0.0085857600000000, 0.0072265200000000 ] - [ -0.0022159300000000, 0.0035875100000000, -0.0048558100000000 ] - [ -0.0022159300000000, -0.0035875100000000, -0.0048558100000000 ] - [ -0.0022194400000000, -0.0040900600000000, -0.0014569900000000 ] - [ -0.0022194400000000, 0.0040900600000000, -0.0014569900000000 ] - [ 0.0015433300000000, 0.0022686600000000, -0.0014784400000000 ] - [ 0.0015433300000000, -0.0022686600000000, -0.0014784400000000 ]