# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d508ff5e-8ede-43e1-898a-6bc8b0944ba1/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 CaH12(IO6)2 / Fdd2 (43) / materials id 758253](https://mdr.nims.go.jp/datasets/e141cf15-bd17-452b-900f-db2d7cf180b9) ## 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: "Fdd2" number: 43 Hall_symbol: "F 2 -2d"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 11.254810220000000, 3.058274185000000 ] # a - [ 7.274754565000000, 0.000000000000000, 3.058274185000000 ] # b - [ 7.274754565000000, 11.254810220000000, 0.000000000000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.072408760000000, 0.072408760000000, 0.427591240000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.822408760000000, 0.822408760000000, 0.177591240000000 ] mass: 40.078000 - symbol: H # 3 coordinates: [ 0.869540070000000, 0.175567710000000, 0.881056330000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.257753400000000, 0.911134360000000, 0.186230880000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.239408810000000, 0.290001730000000, 0.843274630000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.983087690000000, 0.683456750000000, 0.466068470000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.697842160000000, 0.149235600000000, 0.098157660000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.062461350000000, 0.341403610000000, 0.910689130000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.564554090000000, 0.339310870000000, 0.908596390000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.195235420000000, 0.151842340000000, 0.100764400000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.382612910000000, 0.783931530000000, 0.566543250000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.622685170000000, 0.406725370000000, 0.959998270000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.605118640000000, 0.063769120000000, 0.338865640000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.176164110000000, 0.368943670000000, 0.074432290000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.368943670000000, 0.176164110000000, 0.380459930000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.063769120000000, 0.605118640000000, 0.992246600000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.406725370000000, 0.622685170000000, 0.010591190000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.783931530000000, 0.382612910000000, 0.266912310000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.151842340000000, 0.195235420000000, 0.552157840000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.339310870000000, 0.564554090000000, 0.187538650000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.341403610000000, 0.062461350000000, 0.685445910000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.149235600000000, 0.697842160000000, 0.054764580000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.683456750000000, 0.983087690000000, 0.867387090000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.290001730000000, 0.239408810000000, 0.627314830000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.911134360000000, 0.257753400000000, 0.644881360000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.175567710000000, 0.869540070000000, 0.073835890000000 ] mass: 1.007940 - symbol: I # 27 coordinates: [ 0.343181390000000, 0.666707770000000, 0.373821290000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.633710450000000, 0.876178710000000, 0.583292230000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.876178710000000, 0.633710450000000, 0.906818610000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.666707770000000, 0.343181390000000, 0.616289550000000 ] mass: 126.904470 - symbol: O # 31 coordinates: [ 0.362687120000000, 0.076559320000000, 0.953140420000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.548927630000000, 0.468663110000000, 0.583483490000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.738099910000000, 0.051441170000000, 0.059294250000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.726844110000000, 0.530016050000000, 0.630071330000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.139850860000000, 0.811492160000000, 0.353820980000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.060677130000000, 0.209353970000000, 0.983235010000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.503266110000000, 0.266764990000000, 0.040646030000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.555164000000000, 0.896179020000000, 0.438507840000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.136931490000000, 0.619928670000000, 0.719983950000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.098835330000000, 0.190705750000000, 0.198558830000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.851074230000000, 0.666516510000000, 0.781336890000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.642386860000000, 0.296859580000000, 0.173440680000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.296859580000000, 0.642386860000000, 0.887312880000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.666516510000000, 0.851074230000000, 0.701072370000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.190705750000000, 0.098835330000000, 0.511900090000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.619928670000000, 0.136931490000000, 0.523155890000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.896179020000000, 0.555164000000000, 0.110149140000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.266764990000000, 0.503266110000000, 0.189322870000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.209353970000000, 0.060677130000000, 0.746733890000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.811492160000000, 0.139850860000000, 0.694836000000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.530016050000000, 0.726844110000000, 0.113068510000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.051441170000000, 0.738099910000000, 0.151164670000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.468663110000000, 0.548927630000000, 0.398925770000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.076559320000000, 0.362687120000000, 0.607613140000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ -0.068730841093331, 0.044425449228055, 0.163490900342541 ] # a* - [ 0.068730841093331, -0.044425449228055, 0.163490900342541 ] # b* - [ 0.068730841093331, 0.044425449228055, -0.163490900342541 ] # c*unit_cell: lattice: - [ 14.549509130000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.509620439999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.116548370000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.250000000000000, 0.750000000000000, 0.572408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.822408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.250000000000000, 0.250000000000000, 0.072408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.322408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 5 coordinates: [ 0.750000000000000, 0.750000000000000, 0.072408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.322408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 7 coordinates: [ 0.750000000000000, 0.250000000000000, 0.572408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.822408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: H # 9 coordinates: [ 0.028312020000000, 0.875298200000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.048682620000000, 0.721992140000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.066638180000000, 0.541341720000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.074762610000000, 0.724578080000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.123696630000000, 0.897999910000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.126046370000000, 0.986575240000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.123953630000000, 0.736575240000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.126303370000000, 0.647999910000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.175237390000000, 0.974578080000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.183361820000000, 0.791341720000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.201317380000000, 0.971992140000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.221687980000000, 0.625298200000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.278312020000000, 0.874701800000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.298682620000000, 0.528007860000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.316638180000000, 0.708658280000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.324762610000000, 0.525421920000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.373696630000000, 0.852000090000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.376046370000000, 0.763424760000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.373953630000000, 0.513424760000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.376303370000000, 0.602000090000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.425237390000000, 0.775421920000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.433361820000000, 0.958658280000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.451317380000000, 0.778007860000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.471687980000000, 0.624701800000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.028312020000000, 0.375298200000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 34 coordinates: [ 0.048682620000000, 0.221992140000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 35 coordinates: [ 0.066638180000000, 0.041341720000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 36 coordinates: [ 0.074762610000000, 0.224578080000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 37 coordinates: [ 0.123696630000000, 0.397999910000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 38 coordinates: [ 0.126046370000000, 0.486575240000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 39 coordinates: [ 0.123953630000000, 0.236575240000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 40 coordinates: [ 0.126303370000000, 0.147999910000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 41 coordinates: [ 0.175237390000000, 0.474578080000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 42 coordinates: [ 0.183361820000000, 0.291341720000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 43 coordinates: [ 0.201317380000000, 0.471992140000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 44 coordinates: [ 0.221687980000000, 0.125298200000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 45 coordinates: [ 0.278312020000000, 0.374701800000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 46 coordinates: [ 0.298682620000000, 0.028007860000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 47 coordinates: [ 0.316638180000000, 0.208658280000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 48 coordinates: [ 0.324762610000000, 0.025421920000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 49 coordinates: [ 0.373696630000000, 0.352000090000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 50 coordinates: [ 0.376046370000000, 0.263424760000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 51 coordinates: [ 0.373953630000000, 0.013424760000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 52 coordinates: [ 0.376303370000000, 0.102000090000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 53 coordinates: [ 0.425237390000000, 0.275421920000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 54 coordinates: [ 0.433361820000000, 0.458658280000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 55 coordinates: [ 0.451317380000000, 0.278007860000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 56 coordinates: [ 0.471687980000000, 0.124701800000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 57 coordinates: [ 0.528312020000000, 0.875298200000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 58 coordinates: [ 0.548682620000000, 0.721992140000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 59 coordinates: [ 0.566638180000000, 0.541341720000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 60 coordinates: [ 0.574762610000000, 0.724578080000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 61 coordinates: [ 0.623696630000000, 0.897999910000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 62 coordinates: [ 0.626046370000000, 0.986575240000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 63 coordinates: [ 0.623953630000000, 0.736575240000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 64 coordinates: [ 0.626303370000000, 0.647999910000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 65 coordinates: [ 0.675237390000000, 0.974578080000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 66 coordinates: [ 0.683361820000000, 0.791341720000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 67 coordinates: [ 0.701317380000000, 0.971992140000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 68 coordinates: [ 0.721687980000000, 0.625298200000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 69 coordinates: [ 0.778312020000000, 0.874701800000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 70 coordinates: [ 0.798682620000000, 0.528007860000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 71 coordinates: [ 0.816638180000000, 0.708658280000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 72 coordinates: [ 0.824762610000000, 0.525421920000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 73 coordinates: [ 0.873696630000000, 0.852000090000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 74 coordinates: [ 0.876046370000000, 0.763424760000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 75 coordinates: [ 0.873953630000000, 0.513424760000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 76 coordinates: [ 0.876303370000000, 0.602000090000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 77 coordinates: [ 0.925237390000000, 0.775421920000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 78 coordinates: [ 0.933361820000000, 0.958658280000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 79 coordinates: [ 0.951317380000000, 0.778007860000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 80 coordinates: [ 0.971687980000000, 0.624701800000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 81 coordinates: [ 0.528312020000000, 0.375298200000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 82 coordinates: [ 0.548682620000000, 0.221992140000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 83 coordinates: [ 0.566638180000000, 0.041341720000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 84 coordinates: [ 0.574762610000000, 0.224578080000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 85 coordinates: [ 0.623696630000000, 0.397999910000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 86 coordinates: [ 0.626046370000000, 0.486575240000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 87 coordinates: [ 0.623953630000000, 0.236575240000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 88 coordinates: [ 0.626303370000000, 0.147999910000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 89 coordinates: [ 0.675237390000000, 0.474578080000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 90 coordinates: [ 0.683361820000000, 0.291341720000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 91 coordinates: [ 0.701317380000000, 0.471992140000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 92 coordinates: [ 0.721687980000000, 0.125298200000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 93 coordinates: [ 0.778312020000000, 0.374701800000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 94 coordinates: [ 0.798682620000000, 0.028007860000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 95 coordinates: [ 0.816638180000000, 0.208658280000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 96 coordinates: [ 0.824762610000000, 0.025421920000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 97 coordinates: [ 0.873696630000000, 0.352000090000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 98 coordinates: [ 0.876046370000000, 0.263424760000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 99 coordinates: [ 0.873953630000000, 0.013424760000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 100 coordinates: [ 0.876303370000000, 0.102000090000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 101 coordinates: [ 0.925237390000000, 0.275421920000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 102 coordinates: [ 0.933361820000000, 0.458658280000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 103 coordinates: [ 0.951317380000000, 0.278007860000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 104 coordinates: [ 0.971687980000000, 0.124701800000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: I # 105 coordinates: [ 0.020264530000000, 0.858501340000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 106 coordinates: [ 0.229735470000000, 0.608501340000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 107 coordinates: [ 0.270264530000000, 0.891498660000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 108 coordinates: [ 0.479735470000000, 0.641498660000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: I # 109 coordinates: [ 0.020264530000000, 0.358501340000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 110 coordinates: [ 0.229735470000000, 0.108501340000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 111 coordinates: [ 0.270264530000000, 0.391498660000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 112 coordinates: [ 0.479735470000000, 0.141498660000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: I # 113 coordinates: [ 0.520264530000000, 0.858501340000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 114 coordinates: [ 0.729735470000000, 0.608501340000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 115 coordinates: [ 0.770264530000000, 0.891498660000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 116 coordinates: [ 0.979735470000000, 0.641498660000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: I # 117 coordinates: [ 0.520264530000000, 0.358501340000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 118 coordinates: [ 0.729735470000000, 0.108501340000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 119 coordinates: [ 0.770264530000000, 0.391498660000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 120 coordinates: [ 0.979735470000000, 0.141498660000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: O # 121 coordinates: [ 0.014849870000000, 0.657913770000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.026073300000000, 0.566205560000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.055367710000000, 0.898697080000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.080043690000000, 0.678457720000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.082656570000000, 0.746835920000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.096294490000000, 0.521956070000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.153705510000000, 0.771956070000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.167343430000000, 0.996835920000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.169956310000000, 0.928457720000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.194632290000000, 0.648697080000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.223926700000000, 0.816205560000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.235150130000000, 0.907913770000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.264849870000000, 0.592086230000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.276073300000000, 0.683794440000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.305367710000000, 0.851302920000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.330043690000000, 0.571542280000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.332656570000000, 0.503164080000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.346294490000000, 0.728043930000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.403705510000000, 0.978043930000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.417343430000000, 0.753164080000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.419956310000000, 0.821542280000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.444632290000000, 0.601302920000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.473926700000000, 0.933794440000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.485150130000000, 0.842086230000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.014849870000000, 0.157913770000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 146 coordinates: [ 0.026073300000000, 0.066205560000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 147 coordinates: [ 0.055367710000000, 0.398697080000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 148 coordinates: [ 0.080043690000000, 0.178457720000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 149 coordinates: [ 0.082656570000000, 0.246835920000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 150 coordinates: [ 0.096294490000000, 0.021956070000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 151 coordinates: [ 0.153705510000000, 0.271956070000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 152 coordinates: [ 0.167343430000000, 0.496835920000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 153 coordinates: [ 0.169956310000000, 0.428457720000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 154 coordinates: [ 0.194632290000000, 0.148697080000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 155 coordinates: [ 0.223926700000000, 0.316205560000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 156 coordinates: [ 0.235150130000000, 0.407913770000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 157 coordinates: [ 0.264849870000000, 0.092086230000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 158 coordinates: [ 0.276073300000000, 0.183794440000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 159 coordinates: [ 0.305367710000000, 0.351302920000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 160 coordinates: [ 0.330043690000000, 0.071542280000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 161 coordinates: [ 0.332656570000000, 0.003164080000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 162 coordinates: [ 0.346294490000000, 0.228043930000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 163 coordinates: [ 0.403705510000000, 0.478043930000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 164 coordinates: [ 0.417343430000000, 0.253164080000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 165 coordinates: [ 0.419956310000000, 0.321542280000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 166 coordinates: [ 0.444632290000000, 0.101302920000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 167 coordinates: [ 0.473926700000000, 0.433794440000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 168 coordinates: [ 0.485150130000000, 0.342086230000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 169 coordinates: [ 0.514849870000000, 0.657913770000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 170 coordinates: [ 0.526073300000000, 0.566205560000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 171 coordinates: [ 0.555367710000000, 0.898697080000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 172 coordinates: [ 0.580043690000000, 0.678457720000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 173 coordinates: [ 0.582656570000000, 0.746835920000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 174 coordinates: [ 0.596294490000000, 0.521956070000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 175 coordinates: [ 0.653705510000000, 0.771956070000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 176 coordinates: [ 0.667343430000000, 0.996835920000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 177 coordinates: [ 0.669956310000000, 0.928457720000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 178 coordinates: [ 0.694632290000000, 0.648697080000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 179 coordinates: [ 0.723926700000000, 0.816205560000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 180 coordinates: [ 0.735150130000000, 0.907913770000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 181 coordinates: [ 0.764849870000000, 0.592086230000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 182 coordinates: [ 0.776073300000000, 0.683794440000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 183 coordinates: [ 0.805367710000000, 0.851302920000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 184 coordinates: [ 0.830043690000000, 0.571542280000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 185 coordinates: [ 0.832656570000000, 0.503164080000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 186 coordinates: [ 0.846294490000000, 0.728043930000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 187 coordinates: [ 0.903705510000000, 0.978043930000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 188 coordinates: [ 0.917343430000000, 0.753164080000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 189 coordinates: [ 0.919956310000000, 0.821542280000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 190 coordinates: [ 0.944632290000000, 0.601302920000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 191 coordinates: [ 0.973926700000000, 0.933794440000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 192 coordinates: [ 0.985150130000000, 0.842086230000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 193 coordinates: [ 0.514849870000000, 0.157913770000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 194 coordinates: [ 0.526073300000000, 0.066205560000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 195 coordinates: [ 0.555367710000000, 0.398697080000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 196 coordinates: [ 0.580043690000000, 0.178457720000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 197 coordinates: [ 0.582656570000000, 0.246835920000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 198 coordinates: [ 0.596294490000000, 0.021956070000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 199 coordinates: [ 0.653705510000000, 0.271956070000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 200 coordinates: [ 0.667343430000000, 0.496835920000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 201 coordinates: [ 0.669956310000000, 0.428457720000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 202 coordinates: [ 0.694632290000000, 0.148697080000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 203 coordinates: [ 0.723926700000000, 0.316205560000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 204 coordinates: [ 0.735150130000000, 0.407913770000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 205 coordinates: [ 0.764849870000000, 0.092086230000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 206 coordinates: [ 0.776073300000000, 0.183794440000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 207 coordinates: [ 0.805367710000000, 0.351302920000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 208 coordinates: [ 0.830043690000000, 0.071542280000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 209 coordinates: [ 0.832656570000000, 0.003164080000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 210 coordinates: [ 0.846294490000000, 0.228043930000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 211 coordinates: [ 0.903705510000000, 0.478043930000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 212 coordinates: [ 0.917343430000000, 0.253164080000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 213 coordinates: [ 0.919956310000000, 0.321542280000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 214 coordinates: [ 0.944632290000000, 0.101302920000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 215 coordinates: [ 0.973926700000000, 0.433794440000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 216 coordinates: [ 0.985150130000000, 0.342086230000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 144supercell: lattice: - [ 14.549509130000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 22.509620439999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.116548370000000 ] # c points: - symbol: Ca # 1 coordinates: [ 0.250000000000000, 0.750000000000000, 0.572408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.822408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 3 coordinates: [ 0.250000000000000, 0.250000000000000, 0.072408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 4 coordinates: [ 0.500000000000000, 0.000000000000000, 0.322408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 5 coordinates: [ 0.750000000000000, 0.750000000000000, 0.072408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.322408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: Ca # 7 coordinates: [ 0.750000000000000, 0.250000000000000, 0.572408760000000 ] mass: 40.078000 reduced_to: 1 - symbol: Ca # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.822408760000000 ] mass: 40.078000 reduced_to: 2 - symbol: H # 9 coordinates: [ 0.028312020000000, 0.875298200000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.048682620000000, 0.721992140000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.066638180000000, 0.541341720000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.074762610000000, 0.724578080000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.123696630000000, 0.897999910000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.126046370000000, 0.986575240000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.123953630000000, 0.736575240000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.126303370000000, 0.647999910000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.175237390000000, 0.974578080000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.183361820000000, 0.791341720000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.201317380000000, 0.971992140000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.221687980000000, 0.625298200000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.278312020000000, 0.874701800000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.298682620000000, 0.528007860000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.316638180000000, 0.708658280000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.324762610000000, 0.525421920000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.373696630000000, 0.852000090000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.376046370000000, 0.763424760000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.373953630000000, 0.513424760000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.376303370000000, 0.602000090000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.425237390000000, 0.775421920000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.433361820000000, 0.958658280000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.451317380000000, 0.778007860000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.471687980000000, 0.624701800000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 33 coordinates: [ 0.028312020000000, 0.375298200000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 34 coordinates: [ 0.048682620000000, 0.221992140000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 35 coordinates: [ 0.066638180000000, 0.041341720000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 36 coordinates: [ 0.074762610000000, 0.224578080000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 37 coordinates: [ 0.123696630000000, 0.397999910000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 38 coordinates: [ 0.126046370000000, 0.486575240000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 39 coordinates: [ 0.123953630000000, 0.236575240000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 40 coordinates: [ 0.126303370000000, 0.147999910000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 41 coordinates: [ 0.175237390000000, 0.474578080000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 42 coordinates: [ 0.183361820000000, 0.291341720000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 43 coordinates: [ 0.201317380000000, 0.471992140000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 44 coordinates: [ 0.221687980000000, 0.125298200000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 45 coordinates: [ 0.278312020000000, 0.374701800000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 46 coordinates: [ 0.298682620000000, 0.028007860000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 47 coordinates: [ 0.316638180000000, 0.208658280000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 48 coordinates: [ 0.324762610000000, 0.025421920000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 49 coordinates: [ 0.373696630000000, 0.352000090000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 50 coordinates: [ 0.376046370000000, 0.263424760000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 51 coordinates: [ 0.373953630000000, 0.013424760000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 52 coordinates: [ 0.376303370000000, 0.102000090000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 53 coordinates: [ 0.425237390000000, 0.275421920000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 54 coordinates: [ 0.433361820000000, 0.458658280000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 55 coordinates: [ 0.451317380000000, 0.278007860000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 56 coordinates: [ 0.471687980000000, 0.124701800000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 57 coordinates: [ 0.528312020000000, 0.875298200000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 58 coordinates: [ 0.548682620000000, 0.721992140000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 59 coordinates: [ 0.566638180000000, 0.541341720000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 60 coordinates: [ 0.574762610000000, 0.724578080000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 61 coordinates: [ 0.623696630000000, 0.897999910000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 62 coordinates: [ 0.626046370000000, 0.986575240000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 63 coordinates: [ 0.623953630000000, 0.736575240000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 64 coordinates: [ 0.626303370000000, 0.647999910000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 65 coordinates: [ 0.675237390000000, 0.974578080000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 66 coordinates: [ 0.683361820000000, 0.791341720000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 67 coordinates: [ 0.701317380000000, 0.971992140000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 68 coordinates: [ 0.721687980000000, 0.625298200000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 69 coordinates: [ 0.778312020000000, 0.874701800000000, 0.272553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 70 coordinates: [ 0.798682620000000, 0.528007860000000, 0.334443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 71 coordinates: [ 0.816638180000000, 0.708658280000000, 0.514705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 72 coordinates: [ 0.824762610000000, 0.525421920000000, 0.083272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 73 coordinates: [ 0.873696630000000, 0.852000090000000, 0.173538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 74 coordinates: [ 0.876046370000000, 0.763424760000000, 0.451932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 75 coordinates: [ 0.873953630000000, 0.513424760000000, 0.701932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 76 coordinates: [ 0.876303370000000, 0.602000090000000, 0.423538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 77 coordinates: [ 0.925237390000000, 0.775421920000000, 0.833272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 78 coordinates: [ 0.933361820000000, 0.958658280000000, 0.264705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 79 coordinates: [ 0.951317380000000, 0.778007860000000, 0.084443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 80 coordinates: [ 0.971687980000000, 0.624701800000000, 0.522553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: H # 81 coordinates: [ 0.528312020000000, 0.375298200000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 82 coordinates: [ 0.548682620000000, 0.221992140000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 83 coordinates: [ 0.566638180000000, 0.041341720000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 84 coordinates: [ 0.574762610000000, 0.224578080000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 85 coordinates: [ 0.623696630000000, 0.397999910000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 86 coordinates: [ 0.626046370000000, 0.486575240000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 87 coordinates: [ 0.623953630000000, 0.236575240000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 88 coordinates: [ 0.626303370000000, 0.147999910000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 89 coordinates: [ 0.675237390000000, 0.474578080000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 90 coordinates: [ 0.683361820000000, 0.291341720000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 91 coordinates: [ 0.701317380000000, 0.471992140000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 92 coordinates: [ 0.721687980000000, 0.125298200000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 93 coordinates: [ 0.778312020000000, 0.374701800000000, 0.772553890000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 94 coordinates: [ 0.798682620000000, 0.028007860000000, 0.834443880000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 95 coordinates: [ 0.816638180000000, 0.208658280000000, 0.014705270000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 96 coordinates: [ 0.824762610000000, 0.025421920000000, 0.583272220000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 97 coordinates: [ 0.873696630000000, 0.352000090000000, 0.673538880000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 98 coordinates: [ 0.876046370000000, 0.263424760000000, 0.951932480000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 99 coordinates: [ 0.873953630000000, 0.013424760000000, 0.201932480000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 100 coordinates: [ 0.876303370000000, 0.102000090000000, 0.923538880000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 101 coordinates: [ 0.925237390000000, 0.275421920000000, 0.333272220000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 102 coordinates: [ 0.933361820000000, 0.458658280000000, 0.764705270000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 103 coordinates: [ 0.951317380000000, 0.278007860000000, 0.584443880000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 104 coordinates: [ 0.971687980000000, 0.124701800000000, 0.022553890000000 ] mass: 1.007940 reduced_to: 32 - symbol: I # 105 coordinates: [ 0.020264530000000, 0.858501340000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 106 coordinates: [ 0.229735470000000, 0.608501340000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 107 coordinates: [ 0.270264530000000, 0.891498660000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 108 coordinates: [ 0.479735470000000, 0.641498660000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: I # 109 coordinates: [ 0.020264530000000, 0.358501340000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 110 coordinates: [ 0.229735470000000, 0.108501340000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 111 coordinates: [ 0.270264530000000, 0.391498660000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 112 coordinates: [ 0.479735470000000, 0.141498660000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: I # 113 coordinates: [ 0.520264530000000, 0.858501340000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 114 coordinates: [ 0.729735470000000, 0.608501340000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 115 coordinates: [ 0.770264530000000, 0.891498660000000, 0.754944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 116 coordinates: [ 0.979735470000000, 0.641498660000000, 0.004944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: I # 117 coordinates: [ 0.520264530000000, 0.358501340000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 105 - symbol: I # 118 coordinates: [ 0.729735470000000, 0.108501340000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 106 - symbol: I # 119 coordinates: [ 0.770264530000000, 0.391498660000000, 0.254944580000000 ] mass: 126.904470 reduced_to: 107 - symbol: I # 120 coordinates: [ 0.979735470000000, 0.141498660000000, 0.504944580000000 ] mass: 126.904470 reduced_to: 108 - symbol: O # 121 coordinates: [ 0.014849870000000, 0.657913770000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.026073300000000, 0.566205560000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.055367710000000, 0.898697080000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.080043690000000, 0.678457720000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.082656570000000, 0.746835920000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.096294490000000, 0.521956070000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.153705510000000, 0.771956070000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.167343430000000, 0.996835920000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.169956310000000, 0.928457720000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.194632290000000, 0.648697080000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.223926700000000, 0.816205560000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.235150130000000, 0.907913770000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.264849870000000, 0.592086230000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.276073300000000, 0.683794440000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.305367710000000, 0.851302920000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.330043690000000, 0.571542280000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.332656570000000, 0.503164080000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.346294490000000, 0.728043930000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.403705510000000, 0.978043930000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.417343430000000, 0.753164080000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.419956310000000, 0.821542280000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.444632290000000, 0.601302920000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.473926700000000, 0.933794440000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.485150130000000, 0.842086230000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.014849870000000, 0.157913770000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 146 coordinates: [ 0.026073300000000, 0.066205560000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 147 coordinates: [ 0.055367710000000, 0.398697080000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 148 coordinates: [ 0.080043690000000, 0.178457720000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 149 coordinates: [ 0.082656570000000, 0.246835920000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 150 coordinates: [ 0.096294490000000, 0.021956070000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 151 coordinates: [ 0.153705510000000, 0.271956070000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 152 coordinates: [ 0.167343430000000, 0.496835920000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 153 coordinates: [ 0.169956310000000, 0.428457720000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 154 coordinates: [ 0.194632290000000, 0.148697080000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 155 coordinates: [ 0.223926700000000, 0.316205560000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 156 coordinates: [ 0.235150130000000, 0.407913770000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 157 coordinates: [ 0.264849870000000, 0.092086230000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 158 coordinates: [ 0.276073300000000, 0.183794440000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 159 coordinates: [ 0.305367710000000, 0.351302920000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 160 coordinates: [ 0.330043690000000, 0.071542280000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 161 coordinates: [ 0.332656570000000, 0.003164080000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 162 coordinates: [ 0.346294490000000, 0.228043930000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 163 coordinates: [ 0.403705510000000, 0.478043930000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 164 coordinates: [ 0.417343430000000, 0.253164080000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 165 coordinates: [ 0.419956310000000, 0.321542280000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 166 coordinates: [ 0.444632290000000, 0.101302920000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 167 coordinates: [ 0.473926700000000, 0.433794440000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 168 coordinates: [ 0.485150130000000, 0.342086230000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 169 coordinates: [ 0.514849870000000, 0.657913770000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 170 coordinates: [ 0.526073300000000, 0.566205560000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 171 coordinates: [ 0.555367710000000, 0.898697080000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 172 coordinates: [ 0.580043690000000, 0.678457720000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 173 coordinates: [ 0.582656570000000, 0.746835920000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 174 coordinates: [ 0.596294490000000, 0.521956070000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 175 coordinates: [ 0.653705510000000, 0.771956070000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 176 coordinates: [ 0.667343430000000, 0.996835920000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 177 coordinates: [ 0.669956310000000, 0.928457720000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 178 coordinates: [ 0.694632290000000, 0.648697080000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 179 coordinates: [ 0.723926700000000, 0.816205560000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 180 coordinates: [ 0.735150130000000, 0.907913770000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 181 coordinates: [ 0.764849870000000, 0.592086230000000, 0.469623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 182 coordinates: [ 0.776073300000000, 0.683794440000000, 0.758795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 183 coordinates: [ 0.805367710000000, 0.851302920000000, 0.144770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 184 coordinates: [ 0.830043690000000, 0.571542280000000, 0.878430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 185 coordinates: [ 0.832656570000000, 0.503164080000000, 0.225671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 186 coordinates: [ 0.846294490000000, 0.728043930000000, 0.385015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 187 coordinates: [ 0.903705510000000, 0.978043930000000, 0.135015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 188 coordinates: [ 0.917343430000000, 0.753164080000000, 0.975671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 189 coordinates: [ 0.919956310000000, 0.821542280000000, 0.628430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 190 coordinates: [ 0.944632290000000, 0.601302920000000, 0.394770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 191 coordinates: [ 0.973926700000000, 0.933794440000000, 0.508795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 192 coordinates: [ 0.985150130000000, 0.842086230000000, 0.219623220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 193 coordinates: [ 0.514849870000000, 0.157913770000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 194 coordinates: [ 0.526073300000000, 0.066205560000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 195 coordinates: [ 0.555367710000000, 0.398697080000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 196 coordinates: [ 0.580043690000000, 0.178457720000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 197 coordinates: [ 0.582656570000000, 0.246835920000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 198 coordinates: [ 0.596294490000000, 0.021956070000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 199 coordinates: [ 0.653705510000000, 0.271956070000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 200 coordinates: [ 0.667343430000000, 0.496835920000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 201 coordinates: [ 0.669956310000000, 0.428457720000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 202 coordinates: [ 0.694632290000000, 0.148697080000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 203 coordinates: [ 0.723926700000000, 0.316205560000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 204 coordinates: [ 0.735150130000000, 0.407913770000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 205 coordinates: [ 0.764849870000000, 0.092086230000000, 0.969623220000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 206 coordinates: [ 0.776073300000000, 0.183794440000000, 0.258795370000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 207 coordinates: [ 0.805367710000000, 0.351302920000000, 0.644770540000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 208 coordinates: [ 0.830043690000000, 0.071542280000000, 0.378430080000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 209 coordinates: [ 0.832656570000000, 0.003164080000000, 0.725671510000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 210 coordinates: [ 0.846294490000000, 0.228043930000000, 0.885015550000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 211 coordinates: [ 0.903705510000000, 0.478043930000000, 0.635015550000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 212 coordinates: [ 0.917343430000000, 0.253164080000000, 0.475671510000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 213 coordinates: [ 0.919956310000000, 0.321542280000000, 0.128430080000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 214 coordinates: [ 0.944632290000000, 0.101302920000000, 0.894770540000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 215 coordinates: [ 0.973926700000000, 0.433794440000000, 0.008795370000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 216 coordinates: [ 0.985150130000000, 0.342086230000000, 0.719623220000000 ] mass: 15.999400 reduced_to: 144displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0731047900000000, -0.0086234800000000, -0.0006039900000000 ] - [ 0.0000345800000000, -0.0016637500000000, -0.0001425400000000 ] - [ -0.0002473000000000, -0.0000474900000000, -0.0004554800000000 ] - [ 0.0000343100000000, 0.0015495300000000, -0.0002373800000000 ] - [ 0.0036761700000000, 0.0001235400000000, -0.0004554500000000 ] - [ 0.0000419800000000, 0.0015450900000000, -0.0006715000000000 ] - [ 0.0002489200000000, -0.0000499500000000, -0.0004548700000000 ] - [ 0.0000425700000000, -0.0016593200000000, -0.0007655300000000 ] - [ 0.0003416800000000, -0.0007875600000000, 0.0004271900000000 ] - [ 0.0057608100000000, 0.0035978600000000, -0.0025445100000000 ] - [ -0.0003114400000000, 0.0008477600000000, 0.0009358800000000 ] - [ 0.0018131900000000, 0.0034311600000000, 0.0055082400000000 ] - [ -0.0019868000000000, -0.0009690300000000, -0.0005123800000000 ] - [ 0.0001089800000000, -0.0003782700000000, 0.0002662300000000 ] - [ 0.0022171900000000, 0.0012885700000000, -0.0025018600000000 ] - [ 0.0012679200000000, 0.0046207900000000, -0.0009260700000000 ] - [ -0.0002324500000000, -0.0003947700000000, -0.0007656700000000 ] - [ -0.0041419100000000, -0.0026964000000000, -0.0021477000000000 ] - [ -0.0004957500000000, 0.0003145700000000, -0.0001286200000000 ] - [ -0.0033504900000000, 0.0005101400000000, -0.0031605100000000 ] - [ -0.0026786200000000, 0.0007875100000000, 0.0032890300000000 ] - [ -0.0001208100000000, -0.0003202100000000, -0.0002588700000000 ] - [ -0.0041311400000000, -0.0029453900000000, 0.0028572400000000 ] - [ -0.0002774600000000, 0.0001039900000000, -0.0003882400000000 ] - [ 0.0007703800000000, 0.0047453600000000, 0.0008450200000000 ] - [ 0.0028179900000000, 0.0017646800000000, 0.0030831500000000 ] - [ -0.0004965000000000, 0.0001094000000000, 0.0002809300000000 ] - [ -0.0015271000000000, -0.0008897000000000, 0.0004253600000000 ] - [ 0.0018967700000000, 0.0039582800000000, -0.0067328300000000 ] - [ -0.0003415800000000, 0.0006217500000000, -0.0002477400000000 ] - [ 0.0054883600000000, 0.0029880500000000, 0.0021657300000000 ] - [ -0.0003325500000000, -0.0005024800000000, -0.0003029700000000 ] - [ 0.0003557200000000, -0.0000908900000000, 0.0000328200000000 ] - [ 0.0001633900000000, 0.0002664800000000, -0.0001637900000000 ] - [ 0.0000270200000000, -0.0000710300000000, 0.0002368400000000 ] - [ -0.0000358800000000, -0.0002874500000000, -0.0006110600000000 ] - [ -0.0004557000000000, -0.0000181900000000, -0.0000610300000000 ] - [ -0.0000260700000000, 0.0001540000000000, 0.0000928500000000 ] - [ -0.0003512000000000, -0.0002969400000000, 0.0003006600000000 ] - [ 0.0000981800000000, -0.0000775100000000, -0.0000354700000000 ] - [ -0.0000826100000000, -0.0001048400000000, -0.0005985700000000 ] - [ -0.0000670700000000, 0.0000946800000000, 0.0003034100000000 ] - [ -0.0003466600000000, 0.0003741900000000, -0.0002128300000000 ] - [ -0.0004158100000000, -0.0001310900000000, -0.0000019000000000 ] - [ 0.0002534200000000, 0.0001573700000000, 0.0001321800000000 ] - [ 0.0000333100000000, -0.0002693200000000, -0.0001804600000000 ] - [ -0.0000429300000000, -0.0001346100000000, 0.0003909000000000 ] - [ -0.0001269500000000, 0.0003883200000000, -0.0005474000000000 ] - [ -0.0003802300000000, 0.0000023200000000, -0.0000547600000000 ] - [ 0.0002500100000000, 0.0001867300000000, 0.0002441200000000 ] - [ -0.0006278100000000, 0.0006361900000000, 0.0004514900000000 ] - [ 0.0000203300000000, 0.0000607800000000, -0.0000291400000000 ] - [ 0.0000076600000000, 0.0002077000000000, -0.0005384400000000 ] - [ 0.0000003800000000, -0.0002989100000000, 0.0004546800000000 ] - [ -0.0002156100000000, -0.0003749400000000, -0.0002274800000000 ] - [ -0.0003145700000000, 0.0001967000000000, 0.0000961600000000 ] - [ 0.0011016500000000, 0.0008788100000000, -0.0008871500000000 ] - [ 0.0010332600000000, 0.0001706200000000, -0.0005083300000000 ] - [ 0.0004669500000000, -0.0005015500000000, -0.0005037200000000 ] - [ 0.0007502300000000, -0.0004447600000000, -0.0003347100000000 ] - [ 0.0013442600000000, 0.0001407300000000, 0.0001629600000000 ] - [ 0.0005531100000000, -0.0001738800000000, 0.0003365200000000 ] - [ 0.0008964000000000, -0.0000789900000000, 0.0000841400000000 ] - [ 0.0021432300000000, -0.0003079700000000, -0.0003162700000000 ] - [ 0.0002165900000000, -0.0001577500000000, -0.0005446500000000 ] - [ 0.0008032900000000, 0.0004869800000000, 0.0009705200000000 ] - [ 0.0001035000000000, 0.0002920000000000, -0.0001503400000000 ] - [ 0.0002091500000000, -0.0003901400000000, 0.0005653800000000 ] - [ 0.0008786500000000, -0.0001017900000000, -0.0004358100000000 ] - [ 0.0004833800000000, -0.0003520200000000, -0.0002429600000000 ] - [ 0.0008281800000000, 0.0002578600000000, -0.0002773200000000 ] - [ 0.0001730900000000, 0.0003350700000000, -0.0006020900000000 ] - [ 0.0016634600000000, -0.0002277900000000, 0.0002256600000000 ] - [ 0.0014953600000000, 0.0004035800000000, 0.0004596000000000 ] - [ -0.0000471000000000, 0.0003070400000000, 0.0002072000000000 ] - [ 0.0018210100000000, 0.0002197700000000, -0.0002530700000000 ] - [ 0.0007916500000000, 0.0000502300000000, -0.0008109700000000 ] - [ 0.0004416200000000, -0.0007277400000000, 0.0011931600000000 ] - [ 0.0006536800000000, -0.0004712100000000, 0.0001144000000000 ] - [ 0.0004304100000000, 0.0011619900000000, 0.0010131200000000 ] - [ 0.0003090600000000, -0.0002081200000000, 0.0001105600000000 ] - [ 0.0002069400000000, 0.0003469800000000, -0.0002093200000000 ] - [ 0.0000322100000000, 0.0002815100000000, 0.0004337200000000 ] - [ -0.0000091100000000, -0.0002359800000000, -0.0005682700000000 ] - [ -0.0000308400000000, -0.0000725800000000, -0.0000214000000000 ] - [ 0.0005773400000000, -0.0006007400000000, 0.0004083500000000 ] - [ -0.0002608500000000, -0.0002183500000000, 0.0002549200000000 ] - [ 0.0003831000000000, -0.0000157000000000, -0.0000553700000000 ] - [ 0.0001577400000000, -0.0004139800000000, -0.0006598900000000 ] - [ 0.0000326900000000, 0.0001098200000000, 0.0003675000000000 ] - [ -0.0000271700000000, 0.0002316600000000, -0.0001055300000000 ] - [ -0.0002476300000000, -0.0001765800000000, 0.0001435400000000 ] - [ 0.0004222700000000, 0.0001108000000000, -0.0000143300000000 ] - [ 0.0003515600000000, -0.0004089200000000, -0.0002853600000000 ] - [ 0.0000575900000000, -0.0001187400000000, 0.0003258600000000 ] - [ 0.0001138700000000, 0.0000821200000000, -0.0004900900000000 ] - [ -0.0000931100000000, 0.0000636900000000, -0.0000345300000000 ] - [ 0.0003410700000000, 0.0002655600000000, 0.0002901100000000 ] - [ -0.0000239700000000, -0.0001166400000000, 0.0001363300000000 ] - [ 0.0004477500000000, 0.0000075300000000, -0.0000688200000000 ] - [ 0.0000350400000000, 0.0002594300000000, -0.0005814000000000 ] - [ 0.0000082900000000, 0.0000521300000000, 0.0002600500000000 ] - [ -0.0001713000000000, -0.0002943000000000, -0.0001818100000000 ] - [ -0.0003598900000000, 0.0000799600000000, 0.0000197300000000 ] - [ 0.0050821900000000, -0.0124043400000000, -0.0003312800000000 ] - [ -0.0066951400000000, 0.0000188800000000, 0.0024299200000000 ] - [ -0.0075710300000000, 0.0012202500000000, -0.0026764700000000 ] - [ 0.0059402800000000, -0.0111911300000000, 0.0000593000000000 ] - [ -0.0005457800000000, -0.0001636700000000, -0.0000910200000000 ] - [ -0.0003245000000000, -0.0008236700000000, -0.0002227800000000 ] - [ -0.0011718100000000, 0.0004689600000000, -0.0000473900000000 ] - [ 0.0002969200000000, 0.0011238700000000, -0.0001782100000000 ] - [ 0.0044790800000000, 0.0039009200000000, 0.0012805500000000 ] - [ 0.0043776300000000, -0.0015594700000000, 0.0001573700000000 ] - [ 0.0035317000000000, -0.0002648600000000, -0.0004269700000000 ] - [ 0.0053162300000000, 0.0051691400000000, -0.0015357100000000 ] - [ -0.0003036300000000, -0.0012665000000000, -0.0001921400000000 ] - [ 0.0011579300000000, -0.0006019500000000, -0.0000806900000000 ] - [ 0.0003127000000000, 0.0006814400000000, -0.0001884400000000 ] - [ 0.0005467800000000, 0.0000224700000000, -0.0000776300000000 ] - [ -0.0025991400000000, -0.0031759900000000, 0.0021450800000000 ] - [ 0.0001540700000000, -0.0033541800000000, 0.0003499900000000 ] - [ 0.0015990600000000, 0.0019662000000000, 0.0008088600000000 ] - [ -0.0019091100000000, -0.0050515500000000, -0.0021780800000000 ] - [ 0.0052933500000000, 0.0029868500000000, 0.0003370700000000 ] - [ 0.0000931800000000, -0.0010389000000000, -0.0006237700000000 ] - [ 0.0110193800000000, 0.0009254100000000, -0.0050022100000000 ] - [ 0.0008524800000000, 0.0003408800000000, 0.0009596900000000 ] - [ 0.0029089000000000, 0.0003361200000000, -0.0009791000000000 ] - [ 0.0076827500000000, -0.0001680500000000, -0.0008335300000000 ] - [ 0.0081741600000000, 0.0016068700000000, 0.0035054100000000 ] - [ 0.0026724600000000, 0.0003060700000000, -0.0016436800000000 ] - [ 0.0024717300000000, 0.0003602000000000, 0.0019093700000000 ] - [ 0.0079308600000000, 0.0022605800000000, -0.0037037000000000 ] - [ 0.0093222500000000, -0.0006407800000000, 0.0012112200000000 ] - [ 0.0018126800000000, 0.0007711600000000, 0.0001751200000000 ] - [ 0.0002585000000000, 0.0005312600000000, 0.0008558700000000 ] - [ 0.0105018500000000, 0.0009601500000000, 0.0048156500000000 ] - [ 0.0008395300000000, -0.0009494400000000, 0.0001209900000000 ] - [ 0.0067059500000000, 0.0032473300000000, 0.0013133200000000 ] - [ -0.0007782100000000, -0.0046195800000000, 0.0013840800000000 ] - [ 0.0000015400000000, 0.0014329800000000, -0.0004257600000000 ] - [ 0.0003880200000000, -0.0026875600000000, -0.0005349000000000 ] - [ -0.0023875900000000, -0.0031249300000000, -0.0018718400000000 ] - [ -0.0000251400000000, 0.0001105100000000, 0.0000684200000000 ] - [ -0.0002041200000000, 0.0002470400000000, -0.0001174400000000 ] - [ 0.0009711800000000, 0.0000403100000000, 0.0001834000000000 ] - [ -0.0003580900000000, -0.0000714600000000, -0.0003277200000000 ] - [ -0.0002227700000000, -0.0000878000000000, 0.0009078900000000 ] - [ -0.0001372000000000, 0.0003297900000000, -0.0001185100000000 ] - [ 0.0004831900000000, -0.0000115800000000, -0.0002509500000000 ] - [ 0.0008873000000000, 0.0000611000000000, 0.0010538100000000 ] - [ 0.0010416400000000, -0.0004939100000000, -0.0004038000000000 ] - [ -0.0006170700000000, 0.0002962700000000, 0.0001968400000000 ] - [ 0.0002851700000000, -0.0003272100000000, -0.0000771800000000 ] - [ 0.0003851900000000, -0.0000551500000000, 0.0001603400000000 ] - [ 0.0001733500000000, 0.0000245800000000, 0.0001279300000000 ] - [ 0.0000606400000000, 0.0003560300000000, -0.0001045700000000 ] - [ 0.0009953700000000, -0.0002435000000000, 0.0001922400000000 ] - [ -0.0000825400000000, -0.0000365700000000, -0.0004157300000000 ] - [ 0.0002916500000000, 0.0002685600000000, 0.0007604300000000 ] - [ -0.0002559900000000, 0.0000777300000000, -0.0002548000000000 ] - [ 0.0006077800000000, 0.0004150400000000, -0.0003863400000000 ] - [ 0.0003759100000000, 0.0001091100000000, 0.0009072100000000 ] - [ 0.0007665300000000, 0.0003825200000000, -0.0004905600000000 ] - [ -0.0006388100000000, -0.0004968800000000, 0.0002050600000000 ] - [ 0.0000248100000000, 0.0009250300000000, -0.0000637600000000 ] - [ 0.0001879700000000, 0.0001885300000000, 0.0002192500000000 ] - [ -0.0018346700000000, 0.0016230300000000, 0.0008589600000000 ] - [ -0.0018875600000000, 0.0025555700000000, 0.0000794100000000 ] - [ -0.0007131800000000, -0.0010155900000000, 0.0001691700000000 ] - [ -0.0031745800000000, 0.0011460800000000, -0.0009883800000000 ] - [ -0.0019871500000000, -0.0000510300000000, 0.0007720700000000 ] - [ -0.0009954800000000, 0.0006775500000000, 0.0002025900000000 ] - [ -0.0017779800000000, -0.0003814000000000, -0.0002668900000000 ] - [ -0.0002328700000000, -0.0004177300000000, 0.0008742900000000 ] - [ -0.0016566000000000, -0.0003986300000000, 0.0000803100000000 ] - [ -0.0026938400000000, 0.0005821800000000, 0.0003821300000000 ] - [ -0.0014198400000000, -0.0006068000000000, -0.0002982200000000 ] - [ -0.0013386100000000, -0.0000053800000000, 0.0001623500000000 ] - [ -0.0015508300000000, 0.0000745900000000, 0.0001255900000000 ] - [ -0.0016458100000000, 0.0000718500000000, 0.0001163100000000 ] - [ -0.0010809900000000, 0.0000426700000000, 0.0000070800000000 ] - [ -0.0027776600000000, 0.0000583300000000, -0.0008976200000000 ] - [ -0.0008339400000000, -0.0002164900000000, 0.0009405400000000 ] - [ -0.0025143000000000, -0.0002920000000000, -0.0002356300000000 ] - [ -0.0002569400000000, 0.0007637600000000, -0.0007030100000000 ] - [ -0.0013855600000000, 0.0001481700000000, 0.0010406800000000 ] - [ -0.0020505300000000, 0.0015945500000000, 0.0001706200000000 ] - [ -0.0023246800000000, -0.0015491500000000, 0.0002207600000000 ] - [ -0.0016589200000000, 0.0032248400000000, -0.0002604600000000 ] - [ -0.0016225100000000, 0.0016943500000000, -0.0005648000000000 ] - [ -0.0001797000000000, -0.0001486100000000, 0.0002101100000000 ] - [ -0.0000429800000000, -0.0008445900000000, -0.0000695100000000 ] - [ 0.0006474000000000, 0.0005313500000000, 0.0001871300000000 ] - [ -0.0007498000000000, -0.0003255300000000, -0.0004790300000000 ] - [ -0.0003788100000000, -0.0000462900000000, 0.0009146800000000 ] - [ -0.0006822000000000, -0.0003378300000000, -0.0003935100000000 ] - [ 0.0002656200000000, -0.0000300600000000, -0.0002452800000000 ] - [ -0.0002567800000000, 0.0000252200000000, 0.0008279000000000 ] - [ 0.0000971800000000, 0.0000705200000000, -0.0003563100000000 ] - [ -0.0009973700000000, 0.0002835400000000, 0.0001930000000000 ] - [ -0.0000375300000000, -0.0002739500000000, -0.0001116500000000 ] - [ -0.0001856100000000, 0.0000313800000000, 0.0000936000000000 ] - [ -0.0003975800000000, 0.0001083000000000, 0.0001957400000000 ] - [ -0.0002633500000000, 0.0004053100000000, -0.0000707900000000 ] - [ 0.0006139900000000, -0.0002538300000000, 0.0001953200000000 ] - [ -0.0010285700000000, 0.0005240400000000, -0.0004626700000000 ] - [ -0.0008559300000000, 0.0002207500000000, 0.0009863800000000 ] - [ -0.0004734400000000, 0.0000585400000000, -0.0002591800000000 ] - [ 0.0000551800000000, -0.0002468200000000, -0.0001113200000000 ] - [ 0.0002201600000000, 0.0001522100000000, 0.0008999700000000 ] - [ 0.0003707400000000, 0.0001276100000000, -0.0003377400000000 ] - [ -0.0009656800000000, -0.0000081800000000, 0.0002013000000000 ] - [ 0.0001819100000000, -0.0001650700000000, -0.0001124100000000 ] - [ 0.0000309800000000, -0.0000705000000000, 0.0000785700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0086279400000000, -0.0773593500000000, -0.0003274800000000 ] - [ -0.0015448800000000, 0.0014158000000000, -0.0001844100000000 ] - [ -0.0000475200000000, 0.0023847300000000, -0.0004543400000000 ] - [ 0.0016637500000000, 0.0014134800000000, -0.0007625300000000 ] - [ 0.0001232000000000, -0.0026437400000000, -0.0004540600000000 ] - [ 0.0016589400000000, 0.0014154700000000, -0.0001476300000000 ] - [ -0.0000504100000000, 0.0015708000000000, -0.0004545100000000 ] - [ -0.0015489600000000, 0.0014133800000000, -0.0007258300000000 ] - [ -0.0004233000000000, -0.0007354200000000, 0.0008581300000000 ] - [ 0.0021249500000000, -0.0015143600000000, 0.0009336100000000 ] - [ 0.0007321500000000, 0.0004355100000000, 0.0000017200000000 ] - [ 0.0018148500000000, -0.0022941800000000, -0.0012907900000000 ] - [ -0.0030258800000000, 0.0002207200000000, -0.0001612000000000 ] - [ -0.0006711300000000, 0.0012849400000000, -0.0003734500000000 ] - [ 0.0001981900000000, -0.0048781700000000, -0.0008897100000000 ] - [ 0.0083930200000000, 0.0000870000000000, -0.0012666000000000 ] - [ -0.0002826300000000, 0.0011664600000000, 0.0007970800000000 ] - [ -0.0028221900000000, -0.0027387200000000, -0.0013410600000000 ] - [ -0.0009499400000000, 0.0020580200000000, -0.0011816400000000 ] - [ -0.0019373300000000, 0.0042981500000000, -0.0043124300000000 ] - [ -0.0012653400000000, 0.0046717900000000, 0.0044902300000000 ] - [ -0.0005714700000000, 0.0014151800000000, 0.0007937200000000 ] - [ -0.0027789400000000, -0.0029279700000000, 0.0020167400000000 ] - [ -0.0003253200000000, 0.0016578400000000, -0.0019430300000000 ] - [ 0.0079968000000000, 0.0001918000000000, 0.0011857500000000 ] - [ 0.0007881100000000, -0.0044172500000000, 0.0014274400000000 ] - [ -0.0012690000000000, 0.0017635400000000, 0.0009161300000000 ] - [ -0.0025410800000000, 0.0003018100000000, 0.0000744300000000 ] - [ 0.0018523700000000, -0.0018237500000000, 0.0001621700000000 ] - [ 0.0007076500000000, 0.0002068200000000, 0.0006925400000000 ] - [ 0.0017346200000000, -0.0021814100000000, -0.0013295600000000 ] - [ -0.0010920900000000, -0.0004418100000000, -0.0007245000000000 ] - [ 0.0005421500000000, 0.0002250900000000, -0.0002835900000000 ] - [ 0.0003393200000000, 0.0009035000000000, -0.0005712700000000 ] - [ -0.0004621400000000, 0.0007367900000000, 0.0010755400000000 ] - [ -0.0000134000000000, 0.0003617600000000, 0.0000486600000000 ] - [ 0.0000519400000000, 0.0003594900000000, -0.0000440600000000 ] - [ 0.0001116100000000, 0.0006245900000000, -0.0000128700000000 ] - [ -0.0000792700000000, 0.0004631300000000, 0.0000386200000000 ] - [ -0.0000000800000000, 0.0002690000000000, -0.0000109700000000 ] - [ 0.0000942100000000, 0.0006541600000000, 0.0005517200000000 ] - [ 0.0002439100000000, 0.0007162300000000, 0.0009318400000000 ] - [ -0.0005279800000000, 0.0012469700000000, -0.0008236800000000 ] - [ -0.0005129000000000, 0.0003160100000000, -0.0002850200000000 ] - [ 0.0001565900000000, 0.0006033100000000, 0.0004151400000000 ] - [ -0.0001496300000000, 0.0006052100000000, 0.0004359400000000 ] - [ 0.0002714700000000, 0.0004891100000000, -0.0002414100000000 ] - [ 0.0000503300000000, 0.0011496500000000, -0.0017016000000000 ] - [ -0.0004760000000000, 0.0003483400000000, -0.0000785000000000 ] - [ 0.0005210100000000, 0.0009434000000000, 0.0005049900000000 ] - [ -0.0004889700000000, 0.0011063400000000, 0.0005573200000000 ] - [ 0.0005292700000000, 0.0004392700000000, -0.0000455100000000 ] - [ 0.0000304600000000, 0.0008555200000000, -0.0011947600000000 ] - [ -0.0004880000000000, 0.0005085800000000, -0.0003824300000000 ] - [ -0.0000404300000000, 0.0002600100000000, 0.0001815200000000 ] - [ -0.0001267300000000, 0.0005128500000000, 0.0004145300000000 ] - [ 0.0009628400000000, -0.0001213500000000, -0.0004565000000000 ] - [ -0.0003919100000000, -0.0010015200000000, 0.0005109700000000 ] - [ -0.0003321300000000, 0.0003097600000000, 0.0005935900000000 ] - [ -0.0001925900000000, -0.0014774600000000, -0.0018119200000000 ] - [ 0.0004419300000000, -0.0000815800000000, 0.0000213900000000 ] - [ 0.0004396400000000, -0.0001732700000000, 0.0002971500000000 ] - [ -0.0006991900000000, -0.0015270000000000, 0.0007367200000000 ] - [ -0.0005935500000000, -0.0002306100000000, 0.0001238800000000 ] - [ 0.0000680000000000, -0.0001555700000000, -0.0004915900000000 ] - [ -0.0001679700000000, -0.0005204900000000, -0.0002191600000000 ] - [ -0.0001319200000000, 0.0003355900000000, -0.0002070500000000 ] - [ -0.0002789900000000, -0.0003129300000000, 0.0002085400000000 ] - [ 0.0003904000000000, -0.0000257400000000, -0.0000780400000000 ] - [ 0.0002472300000000, -0.0003063700000000, -0.0001817000000000 ] - [ -0.0001405500000000, -0.0007472700000000, 0.0009097900000000 ] - [ 0.0000240900000000, 0.0003397700000000, -0.0006561900000000 ] - [ -0.0010682100000000, -0.0001516900000000, -0.0002128600000000 ] - [ -0.0000956500000000, -0.0010469600000000, -0.0001929000000000 ] - [ -0.0001614300000000, 0.0003087700000000, 0.0002472900000000 ] - [ 0.0009172100000000, -0.0000017700000000, -0.0001106500000000 ] - [ -0.0001452500000000, -0.0009845700000000, 0.0006645800000000 ] - [ -0.0003590300000000, 0.0000808300000000, 0.0000992800000000 ] - [ -0.0007667000000000, -0.0016463800000000, -0.0008998100000000 ] - [ 0.0002928800000000, 0.0001683600000000, 0.0005865100000000 ] - [ 0.0003453500000000, 0.0001490200000000, -0.0000733900000000 ] - [ 0.0003735100000000, 0.0008874400000000, -0.0005588400000000 ] - [ 0.0000607500000000, 0.0004355400000000, 0.0006156900000000 ] - [ 0.0000061900000000, 0.0002955400000000, 0.0000194400000000 ] - [ -0.0003799200000000, 0.0000848000000000, -0.0000533800000000 ] - [ 0.0000974400000000, 0.0001604900000000, 0.0001179900000000 ] - [ -0.0000933000000000, 0.0003494000000000, 0.0000625500000000 ] - [ 0.0003546200000000, 0.0001516500000000, -0.0000750200000000 ] - [ -0.0000015000000000, 0.0000344600000000, -0.0003338100000000 ] - [ 0.0001270600000000, 0.0005022200000000, 0.0007064100000000 ] - [ -0.0002658700000000, 0.0006100300000000, -0.0003540400000000 ] - [ -0.0003974200000000, 0.0000731200000000, -0.0000915500000000 ] - [ 0.0002717500000000, 0.0003610600000000, 0.0002221500000000 ] - [ 0.0001138700000000, -0.0000336200000000, -0.0000357900000000 ] - [ 0.0001543800000000, 0.0002747400000000, -0.0000156300000000 ] - [ -0.0000452500000000, 0.0005281800000000, -0.0008124400000000 ] - [ -0.0001224600000000, 0.0002312500000000, -0.0000146600000000 ] - [ 0.0005068700000000, 0.0008299100000000, 0.0004811400000000 ] - [ -0.0005030900000000, 0.0006410800000000, 0.0004261600000000 ] - [ 0.0000958100000000, 0.0001638700000000, -0.0000361300000000 ] - [ 0.0000498900000000, 0.0007896200000000, -0.0011659100000000 ] - [ 0.0000331400000000, 0.0002084300000000, 0.0000753000000000 ] - [ -0.0000065500000000, 0.0002439900000000, 0.0001691200000000 ] - [ -0.0003243600000000, 0.0004363600000000, 0.0002034100000000 ] - [ -0.0074900600000000, -0.0045306200000000, -0.0007366700000000 ] - [ 0.0021732200000000, 0.0145805700000000, 0.0088776900000000 ] - [ 0.0013425100000000, 0.0159282700000000, -0.0092573700000000 ] - [ -0.0066442100000000, -0.0031944400000000, 0.0004713100000000 ] - [ 0.0002826100000000, 0.0022620200000000, 0.0001063500000000 ] - [ 0.0001471000000000, 0.0034576000000000, 0.0002420000000000 ] - [ -0.0006862400000000, 0.0047469100000000, -0.0005005900000000 ] - [ 0.0011190300000000, 0.0035513500000000, -0.0003654300000000 ] - [ 0.0023622400000000, -0.0026860200000000, 0.0014713600000000 ] - [ 0.0001874900000000, -0.0019961900000000, -0.0002991500000000 ] - [ -0.0006460200000000, -0.0007122700000000, 0.0000403900000000 ] - [ 0.0031989800000000, -0.0013816000000000, -0.0017204700000000 ] - [ -0.0007458100000000, 0.0019887100000000, 0.0001018800000000 ] - [ 0.0004163900000000, 0.0011685900000000, 0.0000199300000000 ] - [ -0.0004192100000000, 0.0024615900000000, -0.0002791600000000 ] - [ 0.0000867200000000, 0.0032771600000000, -0.0003617700000000 ] - [ -0.0045535300000000, 0.0013248400000000, 0.0013766800000000 ] - [ -0.0014620200000000, 0.0000117500000000, 0.0001329600000000 ] - [ 0.0032476400000000, 0.0004335300000000, 0.0003222900000000 ] - [ -0.0021940900000000, 0.0032058300000000, -0.0007886700000000 ] - [ -0.0022661500000000, 0.0073741800000000, 0.0008565300000000 ] - [ -0.0013479800000000, -0.0016323900000000, -0.0000964800000000 ] - [ 0.0013876600000000, 0.0108038900000000, 0.0047324300000000 ] - [ 0.0010397000000000, -0.0026897600000000, 0.0006456300000000 ] - [ 0.0040413200000000, -0.0033276100000000, -0.0013356400000000 ] - [ 0.0004486000000000, 0.0104084500000000, -0.0039188700000000 ] - [ -0.0009008000000000, 0.0045180800000000, -0.0015469400000000 ] - [ 0.0030305000000000, -0.0036562800000000, -0.0000769000000000 ] - [ 0.0028023000000000, -0.0035881900000000, 0.0003332700000000 ] - [ -0.0011007700000000, 0.0049368900000000, 0.0011176200000000 ] - [ 0.0023631800000000, 0.0107059200000000, 0.0044889900000000 ] - [ 0.0029184100000000, -0.0028674500000000, 0.0005368800000000 ] - [ 0.0004401100000000, -0.0025178100000000, 0.0011697900000000 ] - [ 0.0006733200000000, 0.0108719100000000, -0.0052251800000000 ] - [ -0.0006224100000000, -0.0015538900000000, -0.0004213500000000 ] - [ -0.0016924000000000, 0.0075409400000000, 0.0009637400000000 ] - [ -0.0010701800000000, 0.0036930200000000, -0.0000264300000000 ] - [ 0.0016382300000000, -0.0001072700000000, 0.0000451600000000 ] - [ -0.0012433100000000, 0.0006879700000000, -0.0003139400000000 ] - [ -0.0043635100000000, 0.0014153600000000, -0.0010887800000000 ] - [ -0.0001230800000000, -0.0008675600000000, 0.0004111200000000 ] - [ 0.0006563900000000, -0.0019384600000000, -0.0001956900000000 ] - [ 0.0003684900000000, -0.0006470600000000, 0.0001422100000000 ] - [ -0.0006623500000000, -0.0014655200000000, -0.0005527900000000 ] - [ -0.0002570200000000, -0.0014411000000000, 0.0007602900000000 ] - [ 0.0007283600000000, -0.0016321900000000, -0.0002596700000000 ] - [ 0.0001318100000000, -0.0011534000000000, -0.0005186500000000 ] - [ -0.0003983400000000, -0.0028694800000000, 0.0005584100000000 ] - [ 0.0008907100000000, -0.0019832200000000, -0.0008009300000000 ] - [ -0.0005828300000000, -0.0007576500000000, 0.0001177300000000 ] - [ -0.0004696700000000, -0.0024472200000000, -0.0000487200000000 ] - [ 0.0003245500000000, -0.0012776900000000, 0.0004961200000000 ] - [ 0.0001103200000000, -0.0012015000000000, -0.0002022200000000 ] - [ -0.0006936900000000, -0.0017808500000000, -0.0001315800000000 ] - [ 0.0010198200000000, -0.0012905000000000, 0.0002502300000000 ] - [ -0.0002335900000000, -0.0015245400000000, -0.0000087100000000 ] - [ -0.0009999500000000, -0.0027041100000000, 0.0012599200000000 ] - [ -0.0005977900000000, -0.0010740400000000, 0.0000026700000000 ] - [ 0.0014538500000000, -0.0015515000000000, -0.0002559900000000 ] - [ 0.0003410800000000, -0.0012697900000000, 0.0010573000000000 ] - [ 0.0004609000000000, -0.0010047900000000, -0.0002570300000000 ] - [ -0.0012357300000000, -0.0011808500000000, 0.0002252000000000 ] - [ 0.0008778600000000, -0.0012706800000000, 0.0000137800000000 ] - [ 0.0000897600000000, -0.0007905500000000, -0.0001175400000000 ] - [ 0.0016972200000000, 0.0013504700000000, -0.0000936600000000 ] - [ 0.0008093000000000, 0.0001863600000000, -0.0002710400000000 ] - [ -0.0001291000000000, 0.0001931500000000, 0.0002318400000000 ] - [ 0.0016070700000000, 0.0018714500000000, 0.0001486900000000 ] - [ -0.0003415300000000, 0.0026515200000000, 0.0012324600000000 ] - [ 0.0001931600000000, -0.0004505200000000, -0.0002859100000000 ] - [ 0.0005163700000000, 0.0015739700000000, -0.0001519900000000 ] - [ -0.0000287500000000, -0.0005310900000000, 0.0008839000000000 ] - [ -0.0001632900000000, -0.0001236600000000, -0.0002017800000000 ] - [ -0.0003064900000000, 0.0010067700000000, 0.0000762400000000 ] - [ 0.0003878900000000, 0.0010875500000000, -0.0000689100000000 ] - [ -0.0002211000000000, 0.0002335400000000, -0.0000025300000000 ] - [ -0.0004348600000000, 0.0003099000000000, 0.0002963900000000 ] - [ 0.0001637500000000, 0.0017517400000000, -0.0001116700000000 ] - [ 0.0012961200000000, 0.0004746100000000, 0.0002915300000000 ] - [ -0.0012870700000000, 0.0003348700000000, -0.0006078100000000 ] - [ -0.0006281600000000, -0.0003614300000000, 0.0009338700000000 ] - [ -0.0002145000000000, 0.0016517800000000, -0.0003635500000000 ] - [ 0.0009224500000000, -0.0003698100000000, -0.0002304100000000 ] - [ 0.0002539300000000, 0.0028214400000000, 0.0005851600000000 ] - [ 0.0027309200000000, 0.0023396300000000, -0.0009574800000000 ] - [ -0.0017320100000000, -0.0003418300000000, 0.0001362100000000 ] - [ 0.0010317600000000, 0.0008621800000000, 0.0000908000000000 ] - [ 0.0019121100000000, 0.0014365500000000, 0.0003891300000000 ] - [ -0.0004749600000000, -0.0008403300000000, 0.0003377600000000 ] - [ -0.0000381100000000, -0.0016860200000000, -0.0000034800000000 ] - [ 0.0010162800000000, -0.0003578500000000, 0.0001683800000000 ] - [ -0.0011456500000000, -0.0013356300000000, -0.0006811700000000 ] - [ -0.0002497300000000, -0.0013379100000000, 0.0007491900000000 ] - [ -0.0007591800000000, -0.0004850400000000, -0.0004835600000000 ] - [ 0.0002184800000000, -0.0008777800000000, -0.0003735000000000 ] - [ 0.0005481100000000, -0.0003989200000000, 0.0008508500000000 ] - [ 0.0009125000000000, -0.0009258600000000, -0.0005154000000000 ] - [ -0.0008500700000000, -0.0003288600000000, 0.0001911200000000 ] - [ -0.0001778100000000, -0.0014737000000000, -0.0000917100000000 ] - [ 0.0002798900000000, -0.0005260800000000, 0.0003056500000000 ] - [ 0.0000658400000000, -0.0004481300000000, -0.0000117000000000 ] - [ -0.0004014100000000, -0.0008061800000000, -0.0000880100000000 ] - [ 0.0007536300000000, -0.0008621700000000, 0.0001767700000000 ] - [ -0.0002109500000000, -0.0004649700000000, -0.0002941100000000 ] - [ -0.0000507000000000, -0.0002260000000000, 0.0009668900000000 ] - [ -0.0005098500000000, -0.0007997500000000, -0.0001431100000000 ] - [ -0.0000294900000000, -0.0004076400000000, -0.0000326900000000 ] - [ 0.0003507400000000, -0.0011670300000000, 0.0010694300000000 ] - [ -0.0000211300000000, -0.0008749100000000, -0.0001283200000000 ] - [ -0.0005857800000000, -0.0008910300000000, 0.0001999400000000 ] - [ 0.0001861200000000, -0.0010184400000000, -0.0001773200000000 ] - [ -0.0002604300000000, -0.0007627500000000, -0.0000451400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0679266200000000 ] - [ -0.0002158800000000, -0.0003066800000000, -0.0004885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004747300000000 ] - [ -0.0003100500000000, 0.0002698900000000, -0.0004869200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003768500000000 ] - [ 0.0003100500000000, -0.0002698900000000, -0.0004869200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004462200000000 ] - [ 0.0002158800000000, 0.0003066800000000, -0.0004885100000000 ] - [ 0.0001004000000000, 0.0002415800000000, 0.0005410100000000 ] - [ -0.0015783000000000, 0.0007111900000000, -0.0024797900000000 ] - [ 0.0000509200000000, -0.0000964000000000, 0.0002721600000000 ] - [ 0.0036791800000000, 0.0003610000000000, 0.0012354900000000 ] - [ 0.0003066700000000, 0.0007980100000000, 0.0004764200000000 ] - [ 0.0005245700000000, -0.0004769100000000, 0.0005485100000000 ] - [ -0.0045703300000000, -0.0034280000000000, 0.0044550800000000 ] - [ -0.0014996800000000, -0.0009589500000000, -0.0001935200000000 ] - [ 0.0000001000000000, -0.0005110800000000, -0.0012354400000000 ] - [ 0.0010285200000000, 0.0048089900000000, 0.0108219300000000 ] - [ -0.0000340300000000, 0.0001819500000000, -0.0000040900000000 ] - [ -0.0008898400000000, -0.0038514200000000, 0.0016815800000000 ] - [ 0.0008898400000000, 0.0038514200000000, 0.0016815800000000 ] - [ 0.0000340300000000, -0.0001819500000000, -0.0000040900000000 ] - [ -0.0010285200000000, -0.0048089900000000, 0.0108219300000000 ] - [ -0.0000001000000000, 0.0005110800000000, -0.0012354400000000 ] - [ 0.0014996800000000, 0.0009589500000000, -0.0001935200000000 ] - [ 0.0045703300000000, 0.0034280000000000, 0.0044550800000000 ] - [ -0.0005245700000000, 0.0004769100000000, 0.0005485100000000 ] - [ -0.0003066700000000, -0.0007980100000000, 0.0004764200000000 ] - [ -0.0036791800000000, -0.0003610000000000, 0.0012354900000000 ] - [ -0.0000509200000000, 0.0000964000000000, 0.0002721600000000 ] - [ 0.0015783000000000, -0.0007111900000000, -0.0024797900000000 ] - [ -0.0001004000000000, -0.0002415800000000, 0.0005410100000000 ] - [ 0.0003549200000000, -0.0001457400000000, 0.0000393600000000 ] - [ 0.0001989400000000, 0.0003195200000000, -0.0001945900000000 ] - [ 0.0000794500000000, 0.0000585400000000, 0.0002940300000000 ] - [ -0.0000136500000000, -0.0002498200000000, -0.0005792800000000 ] - [ -0.0001591300000000, -0.0000080200000000, -0.0000566600000000 ] - [ 0.0004045900000000, -0.0003183700000000, 0.0003209700000000 ] - [ -0.0002888300000000, -0.0002384900000000, 0.0002677400000000 ] - [ 0.0002842100000000, -0.0000536800000000, -0.0000538200000000 ] - [ -0.0000084700000000, -0.0002487200000000, -0.0002821800000000 ] - [ 0.0000011700000000, 0.0001289800000000, 0.0003658300000000 ] - [ -0.0002272100000000, 0.0004101600000000, -0.0003455600000000 ] - [ -0.0003231000000000, -0.0001741900000000, 0.0000824500000000 ] - [ 0.0003231000000000, 0.0001741900000000, 0.0000824500000000 ] - [ 0.0002272100000000, -0.0004101600000000, -0.0003455600000000 ] - [ -0.0000011700000000, -0.0001289800000000, 0.0003658300000000 ] - [ 0.0000084700000000, 0.0002487200000000, -0.0002821800000000 ] - [ -0.0002842100000000, 0.0000536800000000, -0.0000538200000000 ] - [ 0.0002888300000000, 0.0002384900000000, 0.0002677400000000 ] - [ -0.0004045900000000, 0.0003183700000000, 0.0003209700000000 ] - [ 0.0001591300000000, 0.0000080200000000, -0.0000566600000000 ] - [ 0.0000136500000000, 0.0002498200000000, -0.0005792800000000 ] - [ -0.0000794500000000, -0.0000585400000000, 0.0002940300000000 ] - [ -0.0001989400000000, -0.0003195200000000, -0.0001945900000000 ] - [ -0.0003549200000000, 0.0001457400000000, 0.0000393600000000 ] - [ 0.0004156500000000, -0.0000827000000000, -0.0001957500000000 ] - [ 0.0005282100000000, 0.0001337000000000, 0.0002491600000000 ] - [ -0.0000149600000000, 0.0000672800000000, 0.0003572100000000 ] - [ 0.0003487400000000, -0.0004363000000000, -0.0009071800000000 ] - [ -0.0001421300000000, -0.0000330100000000, -0.0000547000000000 ] - [ 0.0002881100000000, -0.0001627900000000, 0.0002525200000000 ] - [ -0.0003937300000000, -0.0002353100000000, 0.0002890200000000 ] - [ 0.0002336400000000, -0.0000862900000000, -0.0000085300000000 ] - [ 0.0000280400000000, -0.0001820000000000, -0.0005132100000000 ] - [ 0.0000065200000000, 0.0001182000000000, 0.0003310600000000 ] - [ -0.0001913800000000, 0.0003816000000000, -0.0002309400000000 ] - [ -0.0003330700000000, -0.0001706700000000, 0.0000934200000000 ] - [ 0.0003330700000000, 0.0001706700000000, 0.0000934200000000 ] - [ 0.0001913800000000, -0.0003816000000000, -0.0002309400000000 ] - [ -0.0000065200000000, -0.0001182000000000, 0.0003310600000000 ] - [ -0.0000280400000000, 0.0001820000000000, -0.0005132100000000 ] - [ -0.0002336400000000, 0.0000862900000000, -0.0000085300000000 ] - [ 0.0003937300000000, 0.0002353100000000, 0.0002890200000000 ] - [ -0.0002881100000000, 0.0001627900000000, 0.0002525200000000 ] - [ 0.0001421300000000, 0.0000330100000000, -0.0000547000000000 ] - [ -0.0003487400000000, 0.0004363000000000, -0.0009071800000000 ] - [ 0.0000149600000000, -0.0000672800000000, 0.0003572100000000 ] - [ -0.0005282100000000, -0.0001337000000000, 0.0002491600000000 ] - [ -0.0004156500000000, 0.0000827000000000, -0.0001957500000000 ] - [ 0.0003080600000000, -0.0001498200000000, 0.0000909500000000 ] - [ 0.0001812900000000, 0.0003249800000000, -0.0001972200000000 ] - [ -0.0000174800000000, 0.0001693600000000, 0.0003991900000000 ] - [ -0.0000293000000000, -0.0002440800000000, -0.0005686300000000 ] - [ -0.0002780300000000, -0.0000568900000000, -0.0000485000000000 ] - [ 0.0002944400000000, -0.0002818000000000, 0.0002805800000000 ] - [ -0.0003103500000000, -0.0002440600000000, 0.0002745400000000 ] - [ 0.0002053600000000, -0.0000269000000000, -0.0000397700000000 ] - [ 0.0000142700000000, -0.0002890000000000, -0.0006226900000000 ] - [ -0.0000220000000000, 0.0001056500000000, 0.0003337000000000 ] - [ -0.0001847600000000, 0.0002784600000000, -0.0001695100000000 ] - [ -0.0003380800000000, -0.0001278400000000, 0.0000552200000000 ] - [ 0.0003380800000000, 0.0001278400000000, 0.0000552200000000 ] - [ 0.0001847600000000, -0.0002784600000000, -0.0001695100000000 ] - [ 0.0000220000000000, -0.0001056500000000, 0.0003337000000000 ] - [ -0.0000142700000000, 0.0002890000000000, -0.0006226900000000 ] - [ -0.0002053600000000, 0.0000269000000000, -0.0000397700000000 ] - [ 0.0003103500000000, 0.0002440600000000, 0.0002745400000000 ] - [ -0.0002944400000000, 0.0002818000000000, 0.0002805800000000 ] - [ 0.0002780300000000, 0.0000568900000000, -0.0000485000000000 ] - [ 0.0000293000000000, 0.0002440800000000, -0.0005686300000000 ] - [ 0.0000174800000000, -0.0001693600000000, 0.0003991900000000 ] - [ -0.0001812900000000, -0.0003249800000000, -0.0001972200000000 ] - [ -0.0003080600000000, 0.0001498200000000, 0.0000909500000000 ] - [ 0.0008359900000000, -0.0008436900000000, -0.0019423400000000 ] - [ 0.0038717800000000, 0.0097710100000000, 0.0006501500000000 ] - [ -0.0038717800000000, -0.0097710100000000, 0.0006501500000000 ] - [ -0.0008359900000000, 0.0008436900000000, -0.0019423400000000 ] - [ -0.0002625700000000, -0.0006880800000000, -0.0001338500000000 ] - [ 0.0004192200000000, -0.0008379300000000, -0.0001934700000000 ] - [ -0.0004192200000000, 0.0008379300000000, -0.0001934700000000 ] - [ 0.0002625700000000, 0.0006880800000000, -0.0001338500000000 ] - [ 0.0005919000000000, 0.0007004700000000, 0.0002219700000000 ] - [ 0.0002955000000000, -0.0008952600000000, -0.0001914900000000 ] - [ -0.0002955000000000, 0.0008952600000000, -0.0001914900000000 ] - [ -0.0005919000000000, -0.0007004700000000, 0.0002219700000000 ] - [ -0.0005424400000000, -0.0006566800000000, -0.0001312800000000 ] - [ 0.0004183400000000, -0.0004886100000000, -0.0001180500000000 ] - [ -0.0004183400000000, 0.0004886100000000, -0.0001180500000000 ] - [ 0.0005424400000000, 0.0006566800000000, -0.0001312800000000 ] - [ 0.0007446400000000, 0.0000222700000000, 0.0002662300000000 ] - [ -0.0002839900000000, 0.0001939000000000, -0.0000696600000000 ] - [ 0.0008695000000000, -0.0007504100000000, 0.0000921300000000 ] - [ -0.0000305800000000, 0.0016569800000000, -0.0025822600000000 ] - [ 0.0004022200000000, 0.0005361600000000, 0.0065084500000000 ] - [ -0.0004826400000000, 0.0002929400000000, -0.0001249300000000 ] - [ -0.0026548500000000, 0.0002949800000000, 0.0074451500000000 ] - [ 0.0001062100000000, 0.0002338500000000, 0.0011875100000000 ] - [ -0.0008012200000000, 0.0017631800000000, 0.0008368000000000 ] - [ -0.0003771800000000, 0.0008540800000000, 0.0060079700000000 ] - [ 0.0020376600000000, -0.0011634900000000, 0.0036254200000000 ] - [ 0.0000126500000000, 0.0008496500000000, -0.0033824100000000 ] - [ -0.0000126500000000, -0.0008496500000000, -0.0033824100000000 ] - [ -0.0020376600000000, 0.0011634900000000, 0.0036254200000000 ] - [ 0.0003771800000000, -0.0008540800000000, 0.0060079700000000 ] - [ 0.0008012200000000, -0.0017631800000000, 0.0008368000000000 ] - [ -0.0001062100000000, -0.0002338500000000, 0.0011875100000000 ] - [ 0.0026548500000000, -0.0002949800000000, 0.0074451500000000 ] - [ 0.0004826400000000, -0.0002929400000000, -0.0001249300000000 ] - [ -0.0004022200000000, -0.0005361600000000, 0.0065084500000000 ] - [ 0.0000305800000000, -0.0016569800000000, -0.0025822600000000 ] - [ -0.0008695000000000, 0.0007504100000000, 0.0000921300000000 ] - [ 0.0002839900000000, -0.0001939000000000, -0.0000696600000000 ] - [ -0.0007446400000000, -0.0000222700000000, 0.0002662300000000 ] - [ -0.0001569900000000, -0.0000363700000000, 0.0001506800000000 ] - [ -0.0001967600000000, -0.0003068900000000, -0.0000492100000000 ] - [ 0.0006994300000000, 0.0002653500000000, 0.0002067400000000 ] - [ -0.0006336400000000, -0.0002359700000000, -0.0004219300000000 ] - [ -0.0003336200000000, -0.0000662600000000, 0.0009131600000000 ] - [ -0.0006046100000000, 0.0001200700000000, -0.0004113400000000 ] - [ 0.0003354400000000, -0.0000454900000000, -0.0002658700000000 ] - [ 0.0000937200000000, -0.0008442200000000, 0.0006072000000000 ] - [ 0.0004993300000000, -0.0003054300000000, -0.0005270400000000 ] - [ -0.0008333800000000, 0.0002998500000000, 0.0001905000000000 ] - [ 0.0000830600000000, -0.0003993500000000, -0.0000747200000000 ] - [ 0.0001099300000000, -0.0001385100000000, 0.0002138100000000 ] - [ -0.0001099300000000, 0.0001385100000000, 0.0002138100000000 ] - [ -0.0000830600000000, 0.0003993500000000, -0.0000747200000000 ] - [ 0.0008333800000000, -0.0002998500000000, 0.0001905000000000 ] - [ -0.0004993300000000, 0.0003054300000000, -0.0005270400000000 ] - [ -0.0000937200000000, 0.0008442200000000, 0.0006072000000000 ] - [ -0.0003354400000000, 0.0000454900000000, -0.0002658700000000 ] - [ 0.0006046100000000, -0.0001200700000000, -0.0004113400000000 ] - [ 0.0003336200000000, 0.0000662600000000, 0.0009131600000000 ] - [ 0.0006336400000000, 0.0002359700000000, -0.0004219300000000 ] - [ -0.0006994300000000, -0.0002653500000000, 0.0002067400000000 ] - [ 0.0001967600000000, 0.0003068900000000, -0.0000492100000000 ] - [ 0.0001569900000000, 0.0000363700000000, 0.0001506800000000 ] - [ -0.0000235600000000, 0.0001060700000000, -0.0003445600000000 ] - [ 0.0001021300000000, -0.0001349900000000, -0.0000852500000000 ] - [ 0.0006460300000000, 0.0000395100000000, 0.0002108800000000 ] - [ -0.0001973000000000, -0.0001266100000000, -0.0000336400000000 ] - [ -0.0009054800000000, -0.0000601100000000, 0.0007760200000000 ] - [ -0.0003196700000000, 0.0000669500000000, -0.0002676800000000 ] - [ 0.0004220800000000, -0.0000345500000000, -0.0003269000000000 ] - [ 0.0002989000000000, -0.0002213000000000, 0.0008894500000000 ] - [ 0.0005183000000000, -0.0003672000000000, -0.0004226900000000 ] - [ -0.0008106300000000, 0.0003494600000000, 0.0001601500000000 ] - [ 0.0000192100000000, -0.0004494200000000, -0.0000420200000000 ] - [ 0.0000672700000000, -0.0001208400000000, 0.0001648300000000 ] - [ -0.0000672700000000, 0.0001208400000000, 0.0001648300000000 ] - [ -0.0000192100000000, 0.0004494200000000, -0.0000420200000000 ] - [ 0.0008106300000000, -0.0003494600000000, 0.0001601500000000 ] - [ -0.0005183000000000, 0.0003672000000000, -0.0004226900000000 ] - [ -0.0002989000000000, 0.0002213000000000, 0.0008894500000000 ] - [ -0.0004220800000000, 0.0000345500000000, -0.0003269000000000 ] - [ 0.0003196700000000, -0.0000669500000000, -0.0002676800000000 ] - [ 0.0009054800000000, 0.0000601100000000, 0.0007760200000000 ] - [ 0.0001973000000000, 0.0001266100000000, -0.0000336400000000 ] - [ -0.0006460300000000, -0.0000395100000000, 0.0002108800000000 ] - [ -0.0001021300000000, 0.0001349900000000, -0.0000852500000000 ] - [ 0.0000235600000000, -0.0001060700000000, -0.0003445600000000 ] - [ -0.0000685200000000, -0.0000560400000000, 0.0001720600000000 ] - [ -0.0000332700000000, -0.0004159800000000, -0.0001088000000000 ] - [ 0.0008615900000000, 0.0003042700000000, 0.0001823100000000 ] - [ -0.0005190900000000, -0.0002568000000000, -0.0004059800000000 ] - [ -0.0002798300000000, -0.0001027100000000, 0.0009048500000000 ] - [ -0.0003262400000000, -0.0001477000000000, -0.0002708200000000 ] - [ 0.0003781800000000, -0.0000313700000000, -0.0002521700000000 ] - [ 0.0003489000000000, 0.0000301800000000, 0.0009261100000000 ] - [ 0.0005878900000000, -0.0001653300000000, -0.0004044400000000 ] - [ -0.0007817100000000, 0.0002355100000000, 0.0001789500000000 ] - [ 0.0001379500000000, -0.0002709000000000, -0.0000900200000000 ] - [ 0.0001190200000000, 0.0000091400000000, 0.0001453800000000 ] - [ -0.0001190200000000, -0.0000091400000000, 0.0001453800000000 ] - [ -0.0001379500000000, 0.0002709000000000, -0.0000900200000000 ] - [ 0.0007817100000000, -0.0002355100000000, 0.0001789500000000 ] - [ -0.0005878900000000, 0.0001653300000000, -0.0004044400000000 ] - [ -0.0003489000000000, -0.0000301800000000, 0.0009261100000000 ] - [ -0.0003781800000000, 0.0000313700000000, -0.0002521700000000 ] - [ 0.0003262400000000, 0.0001477000000000, -0.0002708200000000 ] - [ 0.0002798300000000, 0.0001027100000000, 0.0009048500000000 ] - [ 0.0005190900000000, 0.0002568000000000, -0.0004059800000000 ] - [ -0.0008615900000000, -0.0003042700000000, 0.0001823100000000 ] - [ 0.0000332700000000, 0.0004159800000000, -0.0001088000000000 ] - [ 0.0000685200000000, 0.0000560400000000, 0.0001720600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0665835700000000 ] - [ 0.0002182300000000, 0.0003078000000000, -0.0004240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004361300000000 ] - [ 0.0003124100000000, -0.0002712900000000, -0.0004223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005322300000000 ] - [ -0.0003124100000000, 0.0002712900000000, -0.0004223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004647300000000 ] - [ -0.0002182300000000, -0.0003078000000000, -0.0004240400000000 ] - [ 0.0005655100000000, -0.0005283600000000, -0.0004072600000000 ] - [ 0.0019759800000000, -0.0000621400000000, 0.0020674900000000 ] - [ -0.0000234900000000, 0.0003271200000000, 0.0004185000000000 ] - [ -0.0037538300000000, -0.0008504500000000, -0.0023491500000000 ] - [ -0.0007851100000000, -0.0008735100000000, -0.0005675200000000 ] - [ 0.0000753600000000, -0.0000039100000000, -0.0000067200000000 ] - [ 0.0038916600000000, 0.0029247400000000, -0.0038587400000000 ] - [ 0.0019977900000000, 0.0008759300000000, 0.0000895900000000 ] - [ 0.0000446500000000, 0.0000173100000000, 0.0000924400000000 ] - [ -0.0011164800000000, -0.0045139600000000, -0.0100448300000000 ] - [ -0.0003443600000000, 0.0004594900000000, -0.0003881100000000 ] - [ 0.0002047000000000, 0.0035504300000000, -0.0015877800000000 ] - [ -0.0002047000000000, -0.0035504300000000, -0.0015877800000000 ] - [ 0.0003443600000000, -0.0004594900000000, -0.0003881100000000 ] - [ 0.0011164800000000, 0.0045139600000000, -0.0100448300000000 ] - [ -0.0000446500000000, -0.0000173100000000, 0.0000924400000000 ] - [ -0.0019977900000000, -0.0008759300000000, 0.0000895900000000 ] - [ -0.0038916600000000, -0.0029247400000000, -0.0038587400000000 ] - [ -0.0000753600000000, 0.0000039100000000, -0.0000067200000000 ] - [ 0.0007851100000000, 0.0008735100000000, -0.0005675200000000 ] - [ 0.0037538300000000, 0.0008504500000000, -0.0023491500000000 ] - [ 0.0000234900000000, -0.0003271200000000, 0.0004185000000000 ] - [ -0.0019759800000000, 0.0000621400000000, 0.0020674900000000 ] - [ -0.0005655100000000, 0.0005283600000000, -0.0004072600000000 ] - [ 0.0003145500000000, -0.0001421600000000, 0.0000911300000000 ] - [ 0.0001797300000000, 0.0003225400000000, -0.0001955100000000 ] - [ -0.0000540200000000, 0.0001707700000000, 0.0003984600000000 ] - [ -0.0000304600000000, -0.0002452400000000, -0.0005694500000000 ] - [ -0.0003177400000000, -0.0000718300000000, -0.0000328200000000 ] - [ 0.0001959000000000, -0.0001631400000000, 0.0002223000000000 ] - [ -0.0003128000000000, -0.0002440100000000, 0.0002762200000000 ] - [ 0.0001920200000000, -0.0000256700000000, -0.0000358600000000 ] - [ 0.0000531100000000, -0.0002465200000000, -0.0008700400000000 ] - [ -0.0000273200000000, 0.0000998000000000, 0.0003260900000000 ] - [ -0.0001506500000000, 0.0002312000000000, -0.0000424900000000 ] - [ -0.0003466800000000, -0.0001132900000000, 0.0000474900000000 ] - [ 0.0003466800000000, 0.0001132900000000, 0.0000474900000000 ] - [ 0.0001506500000000, -0.0002312000000000, -0.0000424900000000 ] - [ 0.0000273200000000, -0.0000998000000000, 0.0003260900000000 ] - [ -0.0000531100000000, 0.0002465200000000, -0.0008700400000000 ] - [ -0.0001920200000000, 0.0000256700000000, -0.0000358600000000 ] - [ 0.0003128000000000, 0.0002440100000000, 0.0002762200000000 ] - [ -0.0001959000000000, 0.0001631400000000, 0.0002223000000000 ] - [ 0.0003177400000000, 0.0000718300000000, -0.0000328200000000 ] - [ 0.0000304600000000, 0.0002452400000000, -0.0005694500000000 ] - [ 0.0000540200000000, -0.0001707700000000, 0.0003984600000000 ] - [ -0.0001797300000000, -0.0003225400000000, -0.0001955100000000 ] - [ -0.0003145500000000, 0.0001421600000000, 0.0000911300000000 ] - [ 0.0002528900000000, -0.0002065300000000, 0.0003263000000000 ] - [ -0.0001477800000000, 0.0005083800000000, -0.0006363800000000 ] - [ 0.0000411000000000, 0.0001622700000000, 0.0003360300000000 ] - [ -0.0003917200000000, -0.0000586000000000, -0.0002437000000000 ] - [ -0.0003345800000000, -0.0000470200000000, -0.0000353000000000 ] - [ 0.0003135200000000, -0.0003201000000000, 0.0002914100000000 ] - [ -0.0002101900000000, -0.0002451100000000, 0.0002542400000000 ] - [ 0.0002429800000000, 0.0000068900000000, -0.0000812400000000 ] - [ 0.0000160300000000, -0.0003132400000000, -0.0006355800000000 ] - [ -0.0000336000000000, 0.0001096600000000, 0.0003589700000000 ] - [ -0.0001874600000000, 0.0002602800000000, -0.0001591200000000 ] - [ -0.0003368100000000, -0.0001166000000000, 0.0000363300000000 ] - [ 0.0003368100000000, 0.0001166000000000, 0.0000363300000000 ] - [ 0.0001874600000000, -0.0002602800000000, -0.0001591200000000 ] - [ 0.0000336000000000, -0.0001096600000000, 0.0003589700000000 ] - [ -0.0000160300000000, 0.0003132400000000, -0.0006355800000000 ] - [ -0.0002429800000000, -0.0000068900000000, -0.0000812400000000 ] - [ 0.0002101900000000, 0.0002451100000000, 0.0002542400000000 ] - [ -0.0003135200000000, 0.0003201000000000, 0.0002914100000000 ] - [ 0.0003345800000000, 0.0000470200000000, -0.0000353000000000 ] - [ 0.0003917200000000, 0.0000586000000000, -0.0002437000000000 ] - [ -0.0000411000000000, -0.0001622700000000, 0.0003360300000000 ] - [ 0.0001477800000000, -0.0005083800000000, -0.0006363800000000 ] - [ -0.0002528900000000, 0.0002065300000000, 0.0003263000000000 ] - [ 0.0003617500000000, -0.0001379800000000, 0.0000390100000000 ] - [ 0.0001976400000000, 0.0003173300000000, -0.0001930600000000 ] - [ 0.0000436700000000, 0.0000592300000000, 0.0002924300000000 ] - [ -0.0000147400000000, -0.0002508900000000, -0.0005799000000000 ] - [ -0.0001984100000000, -0.0000224700000000, -0.0000412600000000 ] - [ 0.0003067600000000, -0.0001997400000000, 0.0002629400000000 ] - [ -0.0002912500000000, -0.0002385800000000, 0.0002694300000000 ] - [ 0.0002713100000000, -0.0000527000000000, -0.0000499900000000 ] - [ 0.0000296800000000, -0.0002052900000000, -0.0005251400000000 ] - [ -0.0000037600000000, 0.0001235100000000, 0.0003588000000000 ] - [ -0.0001943000000000, 0.0003642700000000, -0.0002212300000000 ] - [ -0.0003315300000000, -0.0001601800000000, 0.0000750500000000 ] - [ 0.0003315300000000, 0.0001601800000000, 0.0000750500000000 ] - [ 0.0001943000000000, -0.0003642700000000, -0.0002212300000000 ] - [ 0.0000037600000000, -0.0001235100000000, 0.0003588000000000 ] - [ -0.0000296800000000, 0.0002052900000000, -0.0005251400000000 ] - [ -0.0002713100000000, 0.0000527000000000, -0.0000499900000000 ] - [ 0.0002912500000000, 0.0002385800000000, 0.0002694300000000 ] - [ -0.0003067600000000, 0.0001997400000000, 0.0002629400000000 ] - [ 0.0001984100000000, 0.0000224700000000, -0.0000412600000000 ] - [ 0.0000147400000000, 0.0002508900000000, -0.0005799000000000 ] - [ -0.0000436700000000, -0.0000592300000000, 0.0002924300000000 ] - [ -0.0001976400000000, -0.0003173300000000, -0.0001930600000000 ] - [ -0.0003617500000000, 0.0001379800000000, 0.0000390100000000 ] - [ -0.0016664300000000, -0.0004839400000000, 0.0016779100000000 ] - [ -0.0030342100000000, -0.0111283400000000, -0.0008981400000000 ] - [ 0.0030342100000000, 0.0111283400000000, -0.0008981400000000 ] - [ 0.0016664300000000, 0.0004839400000000, 0.0016779100000000 ] - [ -0.0005804000000000, -0.0006002500000000, -0.0001310000000000 ] - [ 0.0004224600000000, -0.0004492000000000, -0.0000706700000000 ] - [ -0.0004224600000000, 0.0004492000000000, -0.0000706700000000 ] - [ 0.0005804000000000, 0.0006002500000000, -0.0001310000000000 ] - [ -0.0014218500000000, -0.0019814500000000, -0.0005083300000000 ] - [ 0.0005439700000000, -0.0003892700000000, -0.0000737500000000 ] - [ -0.0005439700000000, 0.0003892700000000, -0.0000737500000000 ] - [ 0.0014218500000000, 0.0019814500000000, -0.0005083300000000 ] - [ -0.0002992200000000, -0.0006315700000000, -0.0001339000000000 ] - [ 0.0004237100000000, -0.0008007300000000, -0.0001468400000000 ] - [ -0.0004237100000000, 0.0008007300000000, -0.0001468400000000 ] - [ 0.0002992200000000, 0.0006315700000000, -0.0001339000000000 ] - [ -0.0009773400000000, -0.0001049000000000, 0.0000563800000000 ] - [ 0.0000565100000000, -0.0008506600000000, -0.0001039100000000 ] - [ 0.0007410700000000, 0.0012795400000000, 0.0002853700000000 ] - [ -0.0010745600000000, -0.0021149300000000, 0.0017476900000000 ] - [ -0.0010823400000000, -0.0006946300000000, -0.0046978100000000 ] - [ -0.0002458300000000, -0.0003751800000000, -0.0003954500000000 ] - [ 0.0029840100000000, -0.0002326100000000, -0.0073602300000000 ] - [ 0.0004978100000000, -0.0004126400000000, 0.0006300800000000 ] - [ 0.0019472700000000, -0.0022490600000000, -0.0016653700000000 ] - [ -0.0012343100000000, -0.0003440300000000, -0.0056458600000000 ] - [ -0.0019012200000000, 0.0008581900000000, -0.0042613200000000 ] - [ 0.0001986600000000, -0.0009171800000000, 0.0036891600000000 ] - [ -0.0001986600000000, 0.0009171800000000, 0.0036891600000000 ] - [ 0.0019012200000000, -0.0008581900000000, -0.0042613200000000 ] - [ 0.0012343100000000, 0.0003440300000000, -0.0056458600000000 ] - [ -0.0019472700000000, 0.0022490600000000, -0.0016653700000000 ] - [ -0.0004978100000000, 0.0004126400000000, 0.0006300800000000 ] - [ -0.0029840100000000, 0.0002326100000000, -0.0073602300000000 ] - [ 0.0002458300000000, 0.0003751800000000, -0.0003954500000000 ] - [ 0.0010823400000000, 0.0006946300000000, -0.0046978100000000 ] - [ 0.0010745600000000, 0.0021149300000000, 0.0017476900000000 ] - [ -0.0007410700000000, -0.0012795400000000, 0.0002853700000000 ] - [ -0.0000565100000000, 0.0008506600000000, -0.0001039100000000 ] - [ 0.0009773400000000, 0.0001049000000000, 0.0000563800000000 ] - [ -0.0000580800000000, -0.0000412100000000, 0.0001502300000000 ] - [ -0.0000309800000000, -0.0003476900000000, -0.0001280800000000 ] - [ 0.0009076300000000, 0.0002668100000000, 0.0001685800000000 ] - [ -0.0004983000000000, -0.0002318300000000, -0.0003972600000000 ] - [ -0.0002694900000000, -0.0001114100000000, 0.0009068400000000 ] - [ -0.0001210700000000, -0.0001986500000000, -0.0001070200000000 ] - [ 0.0003925300000000, -0.0000320300000000, -0.0002525100000000 ] - [ 0.0005110200000000, 0.0006756700000000, 0.0012157100000000 ] - [ 0.0006339600000000, -0.0001622300000000, -0.0002908400000000 ] - [ -0.0007724500000000, 0.0002320300000000, 0.0001849600000000 ] - [ 0.0001452200000000, -0.0002559900000000, -0.0001022700000000 ] - [ 0.0001056600000000, 0.0000609600000000, 0.0000868300000000 ] - [ -0.0001056600000000, -0.0000609600000000, 0.0000868300000000 ] - [ -0.0001452200000000, 0.0002559900000000, -0.0001022700000000 ] - [ 0.0007724500000000, -0.0002320300000000, 0.0001849600000000 ] - [ -0.0006339600000000, 0.0001622300000000, -0.0002908400000000 ] - [ -0.0005110200000000, -0.0006756700000000, 0.0012157100000000 ] - [ -0.0003925300000000, 0.0000320300000000, -0.0002525100000000 ] - [ 0.0001210700000000, 0.0001986500000000, -0.0001070200000000 ] - [ 0.0002694900000000, 0.0001114100000000, 0.0009068400000000 ] - [ 0.0004983000000000, 0.0002318300000000, -0.0003972600000000 ] - [ -0.0009076300000000, -0.0002668100000000, 0.0001685800000000 ] - [ 0.0000309800000000, 0.0003476900000000, -0.0001280800000000 ] - [ 0.0000580800000000, 0.0000412100000000, 0.0001502300000000 ] - [ -0.0001927300000000, -0.0001881600000000, 0.0006390100000000 ] - [ -0.0003273400000000, -0.0005264400000000, -0.0000926100000000 ] - [ 0.0009590600000000, 0.0004939000000000, 0.0001648600000000 ] - [ -0.0009335200000000, -0.0003474100000000, -0.0007833100000000 ] - [ 0.0002986600000000, -0.0001170100000000, 0.0010441000000000 ] - [ -0.0004081100000000, -0.0001457300000000, -0.0002516800000000 ] - [ 0.0003081200000000, -0.0000427000000000, -0.0001908200000000 ] - [ 0.0003044300000000, 0.0000440900000000, 0.0009307200000000 ] - [ 0.0006111800000000, -0.0001003000000000, -0.0003950100000000 ] - [ -0.0007955700000000, 0.0001815500000000, 0.0002152000000000 ] - [ 0.0002097100000000, -0.0002029200000000, -0.0001337500000000 ] - [ 0.0001482200000000, 0.0000437400000000, 0.0001366900000000 ] - [ -0.0001482200000000, -0.0000437400000000, 0.0001366900000000 ] - [ -0.0002097100000000, 0.0002029200000000, -0.0001337500000000 ] - [ 0.0007955700000000, -0.0001815500000000, 0.0002152000000000 ] - [ -0.0006111800000000, 0.0001003000000000, -0.0003950100000000 ] - [ -0.0003044300000000, -0.0000440900000000, 0.0009307200000000 ] - [ -0.0003081200000000, 0.0000427000000000, -0.0001908200000000 ] - [ 0.0004081100000000, 0.0001457300000000, -0.0002516800000000 ] - [ -0.0002986600000000, 0.0001170100000000, 0.0010441000000000 ] - [ 0.0009335200000000, 0.0003474100000000, -0.0007833100000000 ] - [ -0.0009590600000000, -0.0004939000000000, 0.0001648600000000 ] - [ 0.0003273400000000, 0.0005264400000000, -0.0000926100000000 ] - [ 0.0001927300000000, 0.0001881600000000, 0.0006390100000000 ] - [ -0.0001481300000000, -0.0000219200000000, 0.0001291000000000 ] - [ -0.0001955700000000, -0.0002392400000000, -0.0000678500000000 ] - [ 0.0007443300000000, 0.0002273300000000, 0.0001931000000000 ] - [ -0.0006144800000000, -0.0002112800000000, -0.0004131600000000 ] - [ -0.0003247100000000, -0.0000754900000000, 0.0009154700000000 ] - [ -0.0004016300000000, 0.0000707000000000, -0.0002481400000000 ] - [ 0.0003493800000000, -0.0000464400000000, -0.0002674800000000 ] - [ 0.0002554500000000, -0.0002097000000000, 0.0008940900000000 ] - [ 0.0005461700000000, -0.0003041600000000, -0.0004151600000000 ] - [ -0.0008248800000000, 0.0002965200000000, 0.0001967800000000 ] - [ 0.0000900000000000, -0.0003860100000000, -0.0000870200000000 ] - [ 0.0000972000000000, -0.0000873700000000, 0.0001562800000000 ] - [ -0.0000972000000000, 0.0000873700000000, 0.0001562800000000 ] - [ -0.0000900000000000, 0.0003860100000000, -0.0000870200000000 ] - [ 0.0008248800000000, -0.0002965200000000, 0.0001967800000000 ] - [ -0.0005461700000000, 0.0003041600000000, -0.0004151600000000 ] - [ -0.0002554500000000, 0.0002097000000000, 0.0008940900000000 ] - [ -0.0003493800000000, 0.0000464400000000, -0.0002674800000000 ] - [ 0.0004016300000000, -0.0000707000000000, -0.0002481400000000 ] - [ 0.0003247100000000, 0.0000754900000000, 0.0009154700000000 ] - [ 0.0006144800000000, 0.0002112800000000, -0.0004131600000000 ] - [ -0.0007443300000000, -0.0002273300000000, 0.0001931000000000 ] - [ 0.0001955700000000, 0.0002392400000000, -0.0000678500000000 ] - [ 0.0001481300000000, 0.0000219200000000, 0.0001291000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000039100000000, -0.0007582300000000, -0.0006884700000000 ] - [ 0.0000874400000000, 0.0000622500000000, -0.0004530500000000 ] - [ 0.0000201300000000, 0.0002067900000000, -0.0004364400000000 ] - [ 0.0005432900000000, -0.0000543700000000, -0.0004582000000000 ] - [ 0.0007657800000000, 0.0006246900000000, -0.0003755300000000 ] - [ -0.0000813100000000, 0.0001775500000000, -0.0004683100000000 ] - [ -0.0000250000000000, 0.0000103700000000, -0.0004833700000000 ] - [ -0.0029959500000000, 0.0015821400000000, 0.0000994600000000 ] - [ -0.0984849700000000, -0.0550145500000000, 0.0683756300000000 ] - [ 0.0000947900000000, 0.0003915600000000, -0.0003071700000000 ] - [ -0.0000368400000000, 0.0001671700000000, 0.0004217400000000 ] - [ -0.0002534400000000, -0.0000130400000000, -0.0004566700000000 ] - [ 0.0172445000000000, 0.0193461800000000, -0.0269955900000000 ] - [ 0.0003688300000000, 0.0002778100000000, 0.0005659600000000 ] - [ -0.0008056100000000, -0.0007473200000000, 0.0005798600000000 ] - [ 0.0000124700000000, -0.0000390900000000, -0.0000496300000000 ] - [ 0.0001166500000000, -0.0000187800000000, -0.0005789700000000 ] - [ 0.0008012200000000, -0.0008058600000000, 0.0004955700000000 ] - [ 0.0000198900000000, 0.0005730800000000, -0.0003728400000000 ] - [ -0.0003405100000000, -0.0001831100000000, 0.0000560100000000 ] - [ 0.0006356000000000, -0.0000954300000000, -0.0004331000000000 ] - [ 0.0001911700000000, -0.0003292000000000, -0.0001997500000000 ] - [ 0.0000455300000000, -0.0002473500000000, 0.0004469800000000 ] - [ -0.0000219200000000, 0.0002473400000000, -0.0005728900000000 ] - [ 0.0002617100000000, -0.0000194600000000, 0.0000148500000000 ] - [ 0.0004170800000000, 0.0002109700000000, 0.0002936900000000 ] - [ -0.0002926300000000, 0.0002416700000000, 0.0002696700000000 ] - [ 0.0002789400000000, 0.0000202300000000, -0.0000451200000000 ] - [ 0.0001064100000000, 0.0001916100000000, -0.0005387700000000 ] - [ 0.0001490400000000, -0.0001573500000000, 0.0004337000000000 ] - [ -0.0000906000000000, -0.0003344000000000, -0.0001984200000000 ] - [ -0.0002945900000000, 0.0001506900000000, 0.0000989200000000 ] - [ 0.0003331200000000, -0.0001240300000000, 0.0000574000000000 ] - [ 0.0001889600000000, 0.0003727300000000, -0.0002253800000000 ] - [ -0.0002946300000000, 0.0001700700000000, 0.0005771000000000 ] - [ -0.0000313500000000, -0.0001957200000000, -0.0005245200000000 ] - [ -0.0002575000000000, -0.0000270800000000, -0.0000458400000000 ] - [ 0.0002745200000000, -0.0001975800000000, 0.0002557300000000 ] - [ -0.0002951500000000, -0.0001877800000000, 0.0002589600000000 ] - [ 0.0001632500000000, 0.0000222900000000, -0.0000268300000000 ] - [ 0.0000135000000000, -0.0002196700000000, -0.0005569600000000 ] - [ -0.0000006700000000, 0.0001530300000000, 0.0003791700000000 ] - [ -0.0001990600000000, 0.0003457800000000, -0.0002089000000000 ] - [ -0.0003406300000000, -0.0000813600000000, 0.0000280500000000 ] - [ 0.0003279900000000, 0.0001621000000000, 0.0000784300000000 ] - [ 0.0002085000000000, -0.0002214600000000, -0.0001498600000000 ] - [ 0.0000579000000000, -0.0000479800000000, 0.0002666000000000 ] - [ 0.0000474700000000, 0.0003723300000000, -0.0006656100000000 ] - [ -0.0002182600000000, 0.0000502300000000, -0.0000420900000000 ] - [ 0.0003323800000000, 0.0002969100000000, 0.0002929200000000 ] - [ -0.0002100900000000, 0.0002818700000000, 0.0002646900000000 ] - [ 0.0003917000000000, 0.0000880600000000, -0.0000598100000000 ] - [ 0.0000329400000000, 0.0002842900000000, -0.0006051200000000 ] - [ -0.0000082500000000, -0.0001007000000000, 0.0003376300000000 ] - [ -0.0001700700000000, -0.0002897100000000, -0.0001729500000000 ] - [ -0.0002850200000000, 0.0001699600000000, 0.0001174000000000 ] - [ 0.0004740400000000, -0.0000907900000000, -0.0000575800000000 ] - [ 0.0002591800000000, 0.0003324600000000, -0.0002085000000000 ] - [ 0.0000334600000000, 0.0001249200000000, 0.0003432800000000 ] - [ 0.0000277500000000, -0.0002244300000000, -0.0005667700000000 ] - [ 0.0002572600000000, -0.0000317900000000, 0.0000104800000000 ] - [ 0.0004561800000000, -0.0004546200000000, 0.0003686000000000 ] - [ -0.0001869400000000, -0.0001304300000000, 0.0002235100000000 ] - [ 0.0003909900000000, -0.0000443400000000, -0.0000617000000000 ] - [ 0.0000968700000000, -0.0004181100000000, -0.0007416900000000 ] - [ 0.0001601200000000, 0.0002202600000000, 0.0004641100000000 ] - [ -0.0000502400000000, 0.0001015600000000, -0.0000790400000000 ] - [ -0.0003185000000000, -0.0000993800000000, 0.0000595700000000 ] - [ 0.0006356600000000, -0.0002451700000000, -0.0004720200000000 ] - [ 0.0001723500000000, -0.0002529700000000, -0.0001508300000000 ] - [ 0.0001381100000000, 0.0000476900000000, 0.0001289500000000 ] - [ -0.0000222300000000, 0.0003114600000000, -0.0006406800000000 ] - [ 0.0023382200000000, 0.0010348100000000, -0.0013051700000000 ] - [ 0.0006498300000000, 0.0007344100000000, 0.0002290300000000 ] - [ -0.0003304500000000, 0.0003140500000000, 0.0002980700000000 ] - [ 0.0002281300000000, 0.0001015600000000, -0.0000545800000000 ] - [ -0.0000864300000000, 0.0010574000000000, -0.0006038600000000 ] - [ -0.0002058100000000, -0.0008619500000000, -0.0006223400000000 ] - [ 0.0000381300000000, 0.0011946200000000, 0.0003191600000000 ] - [ -0.0003659900000000, 0.0001804100000000, 0.0000605400000000 ] - [ 0.0003494800000000, -0.0001257200000000, 0.0000444400000000 ] - [ 0.0002136300000000, 0.0003434100000000, -0.0002104200000000 ] - [ 0.0001007300000000, 0.0000620300000000, 0.0002710800000000 ] - [ -0.0000084500000000, -0.0002309500000000, -0.0005540800000000 ] - [ -0.0002124400000000, -0.0000238300000000, -0.0000440700000000 ] - [ 0.0003021700000000, -0.0002111500000000, 0.0002639500000000 ] - [ -0.0002789800000000, -0.0002201200000000, 0.0002604300000000 ] - [ 0.0003243700000000, -0.0000512100000000, -0.0000581500000000 ] - [ 0.0000267800000000, -0.0002090400000000, -0.0005236200000000 ] - [ -0.0000019800000000, 0.0001324000000000, 0.0003691000000000 ] - [ -0.0001979300000000, 0.0003618700000000, -0.0002225900000000 ] - [ -0.0003185900000000, -0.0001829400000000, 0.0000958900000000 ] - [ 0.0003280200000000, 0.0001641500000000, 0.0000801500000000 ] - [ 0.0002445900000000, -0.0004517000000000, -0.0002348000000000 ] - [ -0.0000200400000000, -0.0001308600000000, 0.0003817100000000 ] - [ -0.0000367000000000, 0.0001214500000000, -0.0004695500000000 ] - [ -0.0002620700000000, 0.0000583700000000, -0.0000474400000000 ] - [ 0.0002949800000000, 0.0002625200000000, 0.0002773300000000 ] - [ -0.0000711200000000, -0.0000337100000000, 0.0001319200000000 ] - [ 0.0000275400000000, -0.0000590100000000, -0.0000127300000000 ] - [ 0.0000127000000000, 0.0002791900000000, -0.0006163100000000 ] - [ -0.0000390600000000, -0.0000725100000000, 0.0003036700000000 ] - [ -0.0001875200000000, -0.0002847800000000, -0.0001721800000000 ] - [ -0.0003485800000000, 0.0001436500000000, 0.0000798600000000 ] - [ -0.0102263400000000, -0.0117696100000000, -0.0164021100000000 ] - [ 0.0002043600000000, -0.0008725100000000, -0.0001566400000000 ] - [ 0.0024222600000000, 0.0008636800000000, 0.0015724600000000 ] - [ 0.0007362600000000, 0.0005714500000000, -0.0001099200000000 ] - [ -0.0004854000000000, -0.0004359100000000, -0.0001070600000000 ] - [ 0.0006119500000000, 0.0001896300000000, -0.0000646100000000 ] - [ -0.0004267400000000, 0.0007933100000000, -0.0001400300000000 ] - [ 0.0007348700000000, 0.0007714100000000, -0.0001194400000000 ] - [ 0.0006785100000000, -0.0005673800000000, -0.0002102500000000 ] - [ 0.0006136800000000, -0.0001951800000000, -0.0000878700000000 ] - [ 0.0013684000000000, -0.0005241800000000, 0.0006132400000000 ] - [ -0.0002442000000000, 0.0014232500000000, -0.0002746700000000 ] - [ -0.0003360200000000, -0.0005187700000000, -0.0001233800000000 ] - [ 0.0005654400000000, -0.0010295900000000, -0.0000902500000000 ] - [ -0.0004286100000000, 0.0008212300000000, -0.0001465300000000 ] - [ 0.0000494800000000, 0.0008941400000000, -0.0002028400000000 ] - [ 0.0001054200000000, -0.0001725000000000, 0.0001785000000000 ] - [ 0.0000893100000000, -0.0005356900000000, -0.0000890500000000 ] - [ 0.0767434700000000, 0.0410777200000000, -0.0487981100000000 ] - [ -0.0000601400000000, -0.0001053700000000, -0.0005231700000000 ] - [ 0.0006035600000000, -0.0003973100000000, 0.0014298000000000 ] - [ -0.0002881400000000, -0.0001010100000000, -0.0002953200000000 ] - [ 0.0000742200000000, 0.0016497700000000, 0.0001592100000000 ] - [ -0.0002069300000000, -0.0010184600000000, 0.0010280100000000 ] - [ 0.0005659600000000, -0.0003447100000000, -0.0013856300000000 ] - [ -0.0006139900000000, 0.0004021500000000, 0.0002496400000000 ] - [ -0.0005681800000000, 0.0002191800000000, -0.0007270400000000 ] - [ -0.0012070400000000, -0.0006530300000000, 0.0007158100000000 ] - [ -0.0001067500000000, 0.0000972600000000, 0.0001915200000000 ] - [ -0.0000257800000000, 0.0006112400000000, -0.0001101200000000 ] - [ 0.0002638600000000, 0.0000290000000000, 0.0002723500000000 ] - [ -0.0006040100000000, 0.0002825900000000, -0.0004337200000000 ] - [ -0.0003185900000000, 0.0000643800000000, 0.0009130900000000 ] - [ -0.0005808400000000, 0.0002169800000000, -0.0003252700000000 ] - [ 0.0000666300000000, 0.0000003800000000, -0.0002769700000000 ] - [ 0.0000823200000000, 0.0002546800000000, 0.0008909600000000 ] - [ -0.0000777700000000, 0.0002963500000000, -0.0002903500000000 ] - [ -0.0008706900000000, -0.0002613500000000, 0.0001769000000000 ] - [ -0.0002718000000000, 0.0003890500000000, -0.0001075000000000 ] - [ -0.0003218400000000, 0.0000634200000000, 0.0001599800000000 ] - [ -0.0000313700000000, -0.0001434800000000, 0.0001792300000000 ] - [ 0.0001557600000000, -0.0006077200000000, -0.0000355900000000 ] - [ 0.0008263700000000, 0.0002119100000000, 0.0001785900000000 ] - [ -0.0004669500000000, -0.0003442000000000, -0.0003980400000000 ] - [ -0.0002711600000000, -0.0002051900000000, 0.0008983000000000 ] - [ -0.0000332400000000, -0.0005664400000000, -0.0006784900000000 ] - [ 0.0003590200000000, -0.0001200000000000, -0.0002771900000000 ] - [ 0.0003461800000000, -0.0000997100000000, 0.0009143200000000 ] - [ 0.0006137300000000, -0.0003034200000000, -0.0004190800000000 ] - [ -0.0007679700000000, 0.0001201300000000, 0.0001541900000000 ] - [ 0.0000895800000000, -0.0004355600000000, -0.0000871900000000 ] - [ 0.0001307100000000, -0.0000816900000000, 0.0001700700000000 ] - [ -0.0001955000000000, -0.0001493200000000, 0.0001570800000000 ] - [ -0.0002554000000000, 0.0000361800000000, -0.0000837900000000 ] - [ 0.0007878300000000, -0.0003161300000000, 0.0001798900000000 ] - [ -0.0007206100000000, 0.0000376500000000, -0.0004006500000000 ] - [ -0.0005463100000000, -0.0002068100000000, 0.0008853800000000 ] - [ -0.0004195400000000, -0.0000573000000000, -0.0002222300000000 ] - [ 0.0003377100000000, 0.0000176800000000, -0.0002505300000000 ] - [ 0.0002590500000000, 0.0000246000000000, 0.0009109700000000 ] - [ 0.0005095900000000, 0.0001648100000000, -0.0003941800000000 ] - [ -0.0009756000000000, -0.0003182800000000, 0.0001907100000000 ] - [ 0.0001074100000000, 0.0002580400000000, -0.0000939800000000 ] - [ 0.0000720000000000, -0.0000013900000000, 0.0001414200000000 ] - [ -0.0002582000000000, -0.0000395300000000, 0.0001703500000000 ] - [ -0.0001878100000000, -0.0003438900000000, -0.0000836400000000 ] - [ 0.0003362400000000, 0.0002503800000000, 0.0001371500000000 ] - [ -0.0007989900000000, -0.0003120200000000, -0.0004297400000000 ] - [ -0.0005631800000000, -0.0000283100000000, 0.0009112500000000 ] - [ -0.0004003400000000, -0.0000846800000000, -0.0002571200000000 ] - [ 0.0000352700000000, -0.0001869000000000, -0.0002805300000000 ] - [ 0.0001060600000000, 0.0002100800000000, 0.0009524500000000 ] - [ -0.0002432700000000, 0.0000642800000000, -0.0002325000000000 ] - [ -0.0009634500000000, 0.0001412600000000, 0.0001899800000000 ] - [ -0.0002888100000000, -0.0003199600000000, -0.0002256800000000 ] - [ -0.0004946400000000, 0.0002646300000000, 0.0002025200000000 ] - [ -0.0001125600000000, -0.0000944300000000, 0.0000964300000000 ] - [ -0.0003314000000000, -0.0000694500000000, -0.0000508200000000 ] - [ -0.0003096700000000, -0.0002899900000000, 0.0003897800000000 ] - [ -0.0005288500000000, 0.0000853200000000, -0.0003752900000000 ] - [ -0.0002972900000000, -0.0000470000000000, 0.0009254000000000 ] - [ -0.0006515300000000, -0.0004367300000000, -0.0001028100000000 ] - [ 0.0004365000000000, 0.0011984700000000, -0.0000185200000000 ] - [ 0.0002810600000000, -0.0012270400000000, 0.0007925300000000 ] - [ 0.0003937000000000, 0.0002196300000000, 0.0016245100000000 ] - [ -0.0007342400000000, -0.0003747300000000, 0.0002123400000000 ] - [ 0.0018154400000000, 0.0023433900000000, 0.0038718200000000 ] - [ 0.0120426900000000, 0.0001996600000000, 0.0172293100000000 ] - [ -0.0002125000000000, -0.0000597900000000, 0.0001483200000000 ] - [ -0.0002545600000000, -0.0002939800000000, -0.0000569500000000 ] - [ 0.0007664700000000, 0.0002238000000000, 0.0001798100000000 ] - [ -0.0007222300000000, -0.0002634400000000, -0.0004470300000000 ] - [ -0.0003326300000000, -0.0001146700000000, 0.0009077000000000 ] - [ -0.0005901900000000, 0.0001356500000000, -0.0002880200000000 ] - [ 0.0003363700000000, -0.0000652300000000, -0.0002658200000000 ] - [ 0.0002579700000000, -0.0002088700000000, 0.0008916900000000 ] - [ 0.0005635400000000, -0.0003086900000000, -0.0004221700000000 ] - [ -0.0008697700000000, 0.0003173900000000, 0.0001942700000000 ] - [ 0.0000910100000000, -0.0003916800000000, -0.0000870800000000 ] - [ 0.0001096200000000, -0.0000914100000000, 0.0001645800000000 ] - [ -0.0000617300000000, 0.0001838800000000, 0.0001368500000000 ] - [ -0.0000621800000000, 0.0004651600000000, -0.0000917100000000 ] - [ 0.0008215800000000, -0.0003053600000000, 0.0001837100000000 ] - [ -0.0006497300000000, 0.0006098100000000, -0.0003567200000000 ] - [ -0.0000422400000000, 0.0005474200000000, 0.0008730400000000 ] - [ -0.0003130500000000, 0.0000159400000000, -0.0002823000000000 ] - [ 0.0003986600000000, -0.0000562500000000, -0.0002483400000000 ] - [ 0.0003526100000000, -0.0000189400000000, 0.0009281800000000 ] - [ 0.0005835100000000, 0.0001703900000000, -0.0003947500000000 ] - [ -0.0005000500000000, -0.0004732500000000, 0.0000557200000000 ] - [ 0.0001695400000000, 0.0001996500000000, -0.0000854900000000 ] - [ 0.0001219900000000, -0.0000182500000000, 0.0001363700000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000051900000000, 0.0007572600000000, -0.0002238700000000 ] - [ -0.0000875200000000, -0.0000635800000000, -0.0004601500000000 ] - [ -0.0000210500000000, -0.0002087300000000, -0.0004772900000000 ] - [ -0.0005448700000000, 0.0000572500000000, -0.0004549500000000 ] - [ -0.0007666000000000, -0.0006312700000000, -0.0005387000000000 ] - [ 0.0000810700000000, -0.0001787600000000, -0.0004450800000000 ] - [ 0.0000254600000000, -0.0000104600000000, -0.0004300400000000 ] - [ 0.0030329200000000, -0.0016207800000000, -0.0009956300000000 ] - [ 0.0998141800000000, 0.0532136100000000, -0.0659725400000000 ] - [ 0.0002823400000000, 0.0002505000000000, -0.0000820300000000 ] - [ 0.0000622900000000, 0.0000621900000000, 0.0002717100000000 ] - [ 0.0002103700000000, -0.0004848100000000, -0.0006922100000000 ] - [ -0.0171598400000000, -0.0190340100000000, 0.0264565600000000 ] - [ 0.0002262700000000, -0.0007600100000000, -0.0000270500000000 ] - [ 0.0001999500000000, 0.0002641600000000, -0.0000337900000000 ] - [ 0.0004620800000000, -0.0000405100000000, -0.0000405700000000 ] - [ -0.0000789100000000, -0.0004749100000000, -0.0005561900000000 ] - [ -0.0008213600000000, 0.0010254600000000, 0.0001959600000000 ] - [ -0.0004178200000000, 0.0000705800000000, -0.0000259500000000 ] - [ -0.0003287200000000, -0.0001050600000000, 0.0000743500000000 ] - [ 0.0000317500000000, 0.0003819200000000, 0.0005567700000000 ] - [ 0.0001873600000000, -0.0003129100000000, -0.0001900200000000 ] - [ -0.0000200900000000, 0.0000174000000000, 0.0002465800000000 ] - [ -0.0000221400000000, 0.0002479700000000, -0.0005761200000000 ] - [ -0.0007368300000000, 0.0000988500000000, -0.0001053200000000 ] - [ 0.0001852700000000, 0.0002728300000000, 0.0002506300000000 ] - [ -0.0003096800000000, 0.0002423800000000, 0.0002748900000000 ] - [ 0.0001957600000000, 0.0000590600000000, -0.0000450000000000 ] - [ -0.0000621800000000, 0.0003038600000000, -0.0006104700000000 ] - [ -0.0001748700000000, -0.0000710600000000, 0.0002584200000000 ] - [ -0.0002879200000000, -0.0003073400000000, -0.0001911200000000 ] - [ -0.0003747700000000, 0.0001370200000000, 0.0000312100000000 ] - [ 0.0003361400000000, -0.0001641300000000, 0.0000731200000000 ] - [ 0.0001896300000000, 0.0002684800000000, -0.0001638700000000 ] - [ 0.0003225900000000, 0.0000580400000000, 0.0001143100000000 ] - [ -0.0000126200000000, -0.0003004200000000, -0.0006252200000000 ] - [ -0.0002175800000000, -0.0000525700000000, -0.0000442500000000 ] - [ 0.0003279900000000, -0.0002872300000000, 0.0002891400000000 ] - [ -0.0003073500000000, -0.0002971100000000, 0.0002857300000000 ] - [ 0.0003119300000000, -0.0001025100000000, -0.0000635000000000 ] - [ 0.0000305500000000, -0.0002764100000000, -0.0005928700000000 ] - [ -0.0000251200000000, 0.0000760000000000, 0.0003136500000000 ] - [ -0.0001793700000000, 0.0002955600000000, -0.0001804100000000 ] - [ -0.0003288600000000, -0.0002068600000000, 0.0001023400000000 ] - [ 0.0003413500000000, 0.0001256500000000, 0.0000516000000000 ] - [ 0.0001683200000000, -0.0004192500000000, -0.0002382700000000 ] - [ -0.0000327500000000, -0.0001820400000000, 0.0004273800000000 ] - [ -0.0000922000000000, 0.0001249900000000, -0.0004856300000000 ] - [ -0.0002569400000000, 0.0000291900000000, -0.0000480300000000 ] - [ 0.0002695000000000, 0.0001865400000000, 0.0002512600000000 ] - [ -0.0003938600000000, 0.0002038700000000, 0.0002803000000000 ] - [ 0.0000812600000000, -0.0000084900000000, -0.0000300100000000 ] - [ 0.0000109100000000, 0.0002108200000000, -0.0005437300000000 ] - [ -0.0000170000000000, -0.0001292500000000, 0.0003564400000000 ] - [ -0.0002087800000000, -0.0003525100000000, -0.0002169900000000 ] - [ -0.0003845800000000, 0.0001178600000000, 0.0000125700000000 ] - [ 0.0001950800000000, -0.0001971200000000, 0.0001879200000000 ] - [ 0.0001192000000000, 0.0003088100000000, -0.0001808100000000 ] - [ -0.0000079800000000, 0.0001044200000000, 0.0003502400000000 ] - [ -0.0000718300000000, -0.0002716500000000, -0.0005828800000000 ] - [ -0.0007341900000000, -0.0000475800000000, -0.0001006600000000 ] - [ 0.0001453600000000, -0.0000278900000000, 0.0001753000000000 ] - [ -0.0004156200000000, -0.0003546700000000, 0.0003212200000000 ] - [ 0.0000837600000000, -0.0000354200000000, -0.0000284300000000 ] - [ -0.0000531000000000, -0.0000759200000000, -0.0004063400000000 ] - [ -0.0001859800000000, 0.0000085500000000, 0.0002289900000000 ] - [ -0.0003288900000000, 0.0005421200000000, -0.0003113300000000 ] - [ -0.0003505700000000, -0.0001889300000000, 0.0000711000000000 ] - [ 0.0000318100000000, 0.0005383000000000, 0.0006099300000000 ] - [ 0.0002061800000000, -0.0003890800000000, -0.0002389500000000 ] - [ -0.0001126100000000, -0.0002775400000000, 0.0005647600000000 ] - [ -0.0000218500000000, 0.0001839200000000, -0.0005083900000000 ] - [ -0.0028571500000000, -0.0009769800000000, 0.0012453200000000 ] - [ -0.0000465300000000, -0.0002488700000000, 0.0003166300000000 ] - [ -0.0002718500000000, 0.0001700800000000, 0.0002465500000000 ] - [ 0.0002469300000000, -0.0000222000000000, -0.0000356200000000 ] - [ 0.0001357000000000, -0.0005613200000000, -0.0005492900000000 ] - [ 0.0001894700000000, 0.0006375200000000, 0.0013181900000000 ] - [ -0.0004070500000000, -0.0018410300000000, -0.0007119800000000 ] - [ -0.0003033400000000, 0.0001073900000000, 0.0000695600000000 ] - [ 0.0003197700000000, -0.0001622800000000, 0.0000859000000000 ] - [ 0.0001648800000000, 0.0002983900000000, -0.0001791600000000 ] - [ -0.0000757500000000, 0.0001682300000000, 0.0004230500000000 ] - [ -0.0000356600000000, -0.0002646400000000, -0.0005951200000000 ] - [ -0.0002621900000000, -0.0000557700000000, -0.0000459300000000 ] - [ 0.0003004800000000, -0.0002738200000000, 0.0002810700000000 ] - [ -0.0003232500000000, -0.0002639500000000, 0.0002839400000000 ] - [ 0.0001505200000000, -0.0000281600000000, -0.0000320400000000 ] - [ 0.0000172900000000, -0.0002870900000000, -0.0006263700000000 ] - [ -0.0000236600000000, 0.0000969600000000, 0.0003239500000000 ] - [ -0.0001803700000000, 0.0002794200000000, -0.0001665900000000 ] - [ -0.0003506600000000, -0.0001047400000000, 0.0000341700000000 ] - [ 0.0003413600000000, 0.0001235900000000, 0.0000497600000000 ] - [ 0.0001339000000000, -0.0001893100000000, -0.0001546000000000 ] - [ 0.0000459800000000, -0.0000985100000000, 0.0003110800000000 ] - [ -0.0000069000000000, 0.0003748400000000, -0.0006805700000000 ] - [ -0.0002127500000000, 0.0000209400000000, -0.0000426500000000 ] - [ 0.0003072900000000, 0.0002212800000000, 0.0002669400000000 ] - [ -0.0005353200000000, 0.0005178100000000, 0.0004133000000000 ] - [ 0.0004495700000000, 0.0001389400000000, -0.0000777700000000 ] - [ 0.0000313700000000, 0.0002159000000000, -0.0005322700000000 ] - [ 0.0000138300000000, -0.0001574200000000, 0.0003904200000000 ] - [ -0.0001912100000000, -0.0003575100000000, -0.0002177600000000 ] - [ -0.0003205200000000, 0.0001439300000000, 0.0000501800000000 ] - [ 0.0094522800000000, 0.0105890500000000, 0.0163184800000000 ] - [ 0.0006295800000000, -0.0004193200000000, -0.0001044200000000 ] - [ -0.0032386400000000, 0.0004402000000000, -0.0017981400000000 ] - [ 0.0000981200000000, 0.0007155400000000, -0.0001509500000000 ] - [ -0.0003484000000000, -0.0008552500000000, -0.0001539400000000 ] - [ 0.0002151800000000, -0.0014918700000000, -0.0001971300000000 ] - [ -0.0004081900000000, 0.0004946300000000, -0.0001201200000000 ] - [ 0.0000968000000000, 0.0005182600000000, -0.0001417700000000 ] - [ -0.0015141400000000, -0.0007219500000000, -0.0000505900000000 ] - [ 0.0002212600000000, -0.0010971500000000, -0.0001731600000000 ] - [ -0.0022085500000000, 0.0018178100000000, -0.0008867800000000 ] - [ 0.0010791300000000, -0.0001349500000000, 0.0000135700000000 ] - [ -0.0004984900000000, -0.0007712700000000, -0.0001374100000000 ] - [ 0.0002699300000000, -0.0002580300000000, -0.0001706000000000 ] - [ -0.0004057000000000, 0.0004675000000000, -0.0001138300000000 ] - [ 0.0007883800000000, 0.0003907400000000, -0.0000574200000000 ] - [ -0.0003216700000000, 0.0000950500000000, 0.0001248400000000 ] - [ -0.0003158700000000, -0.0001157700000000, -0.0000890400000000 ] - [ -0.0762201700000000, -0.0395200600000000, 0.0474681900000000 ] - [ -0.0010707500000000, -0.0003658800000000, -0.0002926800000000 ] - [ -0.0012066500000000, 0.0002245200000000, 0.0003813100000000 ] - [ -0.0004333900000000, 0.0000261400000000, -0.0002211400000000 ] - [ 0.0006550500000000, -0.0017210700000000, -0.0006732200000000 ] - [ 0.0008361700000000, 0.0008776200000000, 0.0007815700000000 ] - [ 0.0005747700000000, -0.0001378600000000, 0.0005529000000000 ] - [ -0.0009883600000000, 0.0001278200000000, 0.0001167400000000 ] - [ 0.0007869700000000, -0.0008716600000000, 0.0005425400000000 ] - [ 0.0013840900000000, 0.0005581700000000, -0.0004123600000000 ] - [ -0.0001099200000000, -0.0000183500000000, 0.0001122800000000 ] - [ -0.0002009200000000, 0.0000422400000000, -0.0000668500000000 ] - [ 0.0013396100000000, -0.0005582800000000, 0.0000956700000000 ] - [ -0.0005268000000000, 0.0001895600000000, -0.0003814900000000 ] - [ -0.0002849700000000, 0.0001044600000000, 0.0009049800000000 ] - [ -0.0001416400000000, -0.0001414200000000, -0.0001912100000000 ] - [ 0.0006573000000000, 0.0000722500000000, -0.0002398700000000 ] - [ 0.0005206500000000, -0.0000860200000000, 0.0009268900000000 ] - [ 0.0012085200000000, 0.0001751400000000, -0.0005249400000000 ] - [ -0.0007325100000000, -0.0002673600000000, 0.0001892300000000 ] - [ 0.0004988100000000, 0.0002623100000000, -0.0000695400000000 ] - [ 0.0005395400000000, 0.0000148600000000, 0.0001441800000000 ] - [ -0.0001858000000000, 0.0000668000000000, 0.0001247300000000 ] - [ -0.0003861200000000, -0.0000388600000000, -0.0001424500000000 ] - [ 0.0007775100000000, 0.0003184700000000, 0.0001875300000000 ] - [ -0.0006656600000000, -0.0001259200000000, -0.0004177700000000 ] - [ -0.0003316400000000, 0.0000383000000000, 0.0009200000000000 ] - [ -0.0006866700000000, 0.0004979900000000, 0.0001665700000000 ] - [ 0.0003638100000000, 0.0000454700000000, -0.0002392300000000 ] - [ 0.0002575800000000, -0.0000679600000000, 0.0009035000000000 ] - [ 0.0005173300000000, -0.0001667600000000, -0.0003956900000000 ] - [ -0.0008342500000000, 0.0004108100000000, 0.0002120100000000 ] - [ 0.0001382700000000, -0.0002154200000000, -0.0000899200000000 ] - [ 0.0000864200000000, 0.0000045100000000, 0.0001335100000000 ] - [ -0.0000181300000000, 0.0002287800000000, 0.0001443200000000 ] - [ 0.0000317100000000, 0.0006196100000000, -0.0000929500000000 ] - [ 0.0008154800000000, -0.0002125500000000, 0.0001858400000000 ] - [ -0.0004059500000000, 0.0004333700000000, -0.0004121300000000 ] - [ -0.0000558300000000, 0.0003707800000000, 0.0009329400000000 ] - [ -0.0003017700000000, 0.0001335600000000, -0.0002946800000000 ] - [ 0.0003834500000000, 0.0000582300000000, -0.0002661300000000 ] - [ 0.0003442500000000, 0.0001432300000000, 0.0009070200000000 ] - [ 0.0006223800000000, 0.0003071900000000, -0.0004213200000000 ] - [ -0.0006260100000000, -0.0002113900000000, 0.0001750700000000 ] - [ 0.0001187200000000, 0.0003956400000000, -0.0000843100000000 ] - [ 0.0001447900000000, 0.0000798100000000, 0.0001624400000000 ] - [ 0.0000417400000000, -0.0000377700000000, 0.0001328900000000 ] - [ -0.0000394400000000, -0.0003069800000000, -0.0000942800000000 ] - [ 0.0012680900000000, 0.0002787200000000, 0.0002285500000000 ] - [ -0.0003318900000000, -0.0001583600000000, -0.0003853200000000 ] - [ -0.0000398600000000, -0.0001390200000000, 0.0009069600000000 ] - [ -0.0003212300000000, 0.0000102400000000, -0.0002586600000000 ] - [ 0.0006879300000000, 0.0001134500000000, -0.0002367100000000 ] - [ 0.0004973100000000, -0.0003802700000000, 0.0008655800000000 ] - [ 0.0013758900000000, -0.0005377600000000, -0.0005827100000000 ] - [ -0.0006397900000000, 0.0003890000000000, 0.0001765500000000 ] - [ 0.0005159100000000, -0.0003313400000000, 0.0000502800000000 ] - [ 0.0007145300000000, -0.0003455200000000, 0.0000986400000000 ] - [ -0.0001042800000000, 0.0001730500000000, 0.0002072300000000 ] - [ 0.0001050800000000, 0.0007236300000000, -0.0001263400000000 ] - [ 0.0019251200000000, -0.0002378100000000, -0.0000308600000000 ] - [ -0.0006029100000000, 0.0003870800000000, -0.0004397400000000 ] - [ -0.0003065200000000, 0.0002162000000000, 0.0008924100000000 ] - [ -0.0000717000000000, 0.0005120500000000, -0.0004150600000000 ] - [ 0.0002802400000000, -0.0011291200000000, -0.0004969400000000 ] - [ 0.0003163000000000, 0.0013972800000000, 0.0010288700000000 ] - [ 0.0007137300000000, 0.0002444500000000, -0.0024286100000000 ] - [ -0.0008687000000000, -0.0001540600000000, 0.0001537400000000 ] - [ -0.0015996300000000, -0.0016907000000000, -0.0040440800000000 ] - [ -0.0119727000000000, -0.0000784000000000, -0.0172778300000000 ] - [ -0.0000041400000000, -0.0000179200000000, 0.0001555700000000 ] - [ 0.0000285900000000, -0.0003595300000000, -0.0001209200000000 ] - [ 0.0008357500000000, 0.0003058500000000, 0.0001862700000000 ] - [ -0.0004089100000000, -0.0002082400000000, -0.0003679800000000 ] - [ -0.0002709600000000, -0.0000529200000000, 0.0009108500000000 ] - [ -0.0001312600000000, -0.0002122600000000, -0.0002293800000000 ] - [ 0.0003851400000000, -0.0000097500000000, -0.0002509200000000 ] - [ 0.0003450700000000, 0.0000420000000000, 0.0009267600000000 ] - [ 0.0005662700000000, -0.0001616600000000, -0.0003924600000000 ] - [ -0.0007331300000000, 0.0002113500000000, 0.0001712600000000 ] - [ 0.0001357800000000, -0.0002605200000000, -0.0000904800000000 ] - [ 0.0001065600000000, 0.0000138900000000, 0.0001387600000000 ] - [ -0.0001563400000000, -0.0001067800000000, 0.0001680800000000 ] - [ -0.0001654200000000, 0.0001853100000000, -0.0000853900000000 ] - [ 0.0007806900000000, -0.0002241700000000, 0.0001819900000000 ] - [ -0.0004827500000000, -0.0001396100000000, -0.0004588600000000 ] - [ -0.0005642700000000, -0.0003830300000000, 0.0009454300000000 ] - [ -0.0004100900000000, 0.0000594500000000, -0.0002356000000000 ] - [ 0.0003231400000000, 0.0001321000000000, -0.0002680900000000 ] - [ 0.0002500200000000, 0.0001877300000000, 0.0008900900000000 ] - [ 0.0005471800000000, 0.0003013200000000, -0.0004205400000000 ] - [ -0.0011053700000000, -0.0000543600000000, 0.0003103100000000 ] - [ 0.0000570100000000, 0.0004544000000000, -0.0000919900000000 ] - [ 0.0000952100000000, 0.0000970100000000, 0.0001670000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006433100000000, -0.0005846700000000, -0.0000737600000000 ] - [ 0.0000327200000000, 0.0002168800000000, -0.0004405000000000 ] - [ 0.0000530700000000, 0.0003678300000000, -0.0004586600000000 ] - [ 0.0002435500000000, -0.0001700000000000, -0.0004837100000000 ] - [ 0.0010160400000000, 0.0000237400000000, -0.0003946800000000 ] - [ -0.0000130900000000, 0.0004586700000000, -0.0004870100000000 ] - [ -0.0000643400000000, 0.0002925600000000, -0.0004627600000000 ] - [ -0.0006359300000000, 0.0044911500000000, -0.0041906500000000 ] - [ -0.0549683400000000, -0.0985605200000000, 0.0986210500000000 ] - [ 0.0001497200000000, 0.0005544700000000, -0.0000810700000000 ] - [ -0.0000637700000000, 0.0002482000000000, 0.0005005100000000 ] - [ -0.0002168500000000, 0.0001717300000000, -0.0007452900000000 ] - [ 0.0023198900000000, -0.0008870800000000, 0.0009995900000000 ] - [ 0.0011314600000000, 0.0002331000000000, 0.0009771700000000 ] - [ -0.0006215300000000, 0.0003436100000000, 0.0002133500000000 ] - [ 0.0000431200000000, 0.0000437500000000, -0.0000015800000000 ] - [ 0.0001234900000000, -0.0000686500000000, -0.0007520500000000 ] - [ -0.0011612300000000, -0.0001949900000000, -0.0002345300000000 ] - [ 0.0001628400000000, 0.0006087600000000, -0.0002855800000000 ] - [ -0.0003974200000000, -0.0000750600000000, -0.0000036400000000 ] - [ 0.0007242800000000, -0.0002190100000000, -0.0003272800000000 ] - [ 0.0001492800000000, -0.0002385300000000, -0.0001402400000000 ] - [ -0.0000982100000000, -0.0001388900000000, 0.0003679100000000 ] - [ -0.0000359300000000, 0.0003257200000000, -0.0006600700000000 ] - [ 0.0000732200000000, -0.0000185300000000, -0.0000001700000000 ] - [ 0.0002417300000000, 0.0000485200000000, 0.0002177500000000 ] - [ -0.0003412700000000, 0.0003303500000000, 0.0003057800000000 ] - [ 0.0001716700000000, 0.0000468400000000, -0.0000308800000000 ] - [ 0.0000384400000000, 0.0001086400000000, -0.0004520600000000 ] - [ 0.0001118600000000, -0.0001955600000000, 0.0004540200000000 ] - [ -0.0001727300000000, -0.0004438500000000, -0.0002580000000000 ] - [ -0.0003280100000000, 0.0001483600000000, 0.0000724400000000 ] - [ 0.0003549900000000, -0.0000801500000000, 0.0000199000000000 ] - [ 0.0002294300000000, 0.0004596800000000, -0.0002849300000000 ] - [ -0.0002320100000000, 0.0003542300000000, 0.0008562600000000 ] - [ -0.0000177300000000, -0.0001222400000000, -0.0004428500000000 ] - [ -0.0002418000000000, 0.0000057400000000, -0.0000454400000000 ] - [ 0.0002430700000000, -0.0001065200000000, 0.0002243900000000 ] - [ -0.0002483300000000, -0.0001005900000000, 0.0002247800000000 ] - [ 0.0002569300000000, 0.0000706800000000, -0.0000363100000000 ] - [ 0.0000091300000000, -0.0001411800000000, -0.0004734400000000 ] - [ 0.0000279300000000, 0.0002058200000000, 0.0004346300000000 ] - [ -0.0002255600000000, 0.0004206400000000, -0.0002599900000000 ] - [ -0.0002952800000000, -0.0000751200000000, 0.0000739900000000 ] - [ 0.0003146900000000, 0.0001997300000000, 0.0001062000000000 ] - [ 0.0002600400000000, -0.0002798600000000, -0.0001822800000000 ] - [ 0.0000689700000000, -0.0000231100000000, 0.0002480700000000 ] - [ 0.0000725700000000, 0.0003182700000000, -0.0005833800000000 ] - [ -0.0002370600000000, 0.0000737500000000, -0.0000442700000000 ] - [ 0.0003423100000000, 0.0003463700000000, 0.0003087500000000 ] - [ -0.0002160400000000, 0.0002286700000000, 0.0002514800000000 ] - [ 0.0003746700000000, 0.0000732300000000, -0.0000644200000000 ] - [ 0.0000291300000000, 0.0003330900000000, -0.0006568100000000 ] - [ -0.0000392300000000, -0.0000494800000000, 0.0002820900000000 ] - [ -0.0001635700000000, -0.0002385700000000, -0.0001432600000000 ] - [ -0.0003091800000000, 0.0001714400000000, 0.0000983600000000 ] - [ 0.0003875300000000, -0.0001788400000000, 0.0000496000000000 ] - [ 0.0002057500000000, 0.0002828700000000, -0.0001740700000000 ] - [ 0.0000142000000000, 0.0001535900000000, 0.0003719700000000 ] - [ -0.0000065600000000, -0.0002864100000000, -0.0006226500000000 ] - [ -0.0000542200000000, -0.0000858800000000, -0.0000191500000000 ] - [ 0.0003680400000000, -0.0004175900000000, 0.0003429200000000 ] - [ -0.0002445400000000, -0.0002348100000000, 0.0002583600000000 ] - [ 0.0003608200000000, -0.0000553300000000, -0.0000546900000000 ] - [ -0.0000225800000000, -0.0004371300000000, -0.0007674400000000 ] - [ 0.0000767700000000, 0.0000689300000000, 0.0003080400000000 ] - [ -0.0001920900000000, 0.0001004300000000, -0.0000433400000000 ] - [ -0.0002959100000000, -0.0001072100000000, 0.0000802100000000 ] - [ 0.0005721400000000, -0.0002207400000000, -0.0002013700000000 ] - [ 0.0001776000000000, -0.0002184800000000, -0.0001297800000000 ] - [ 0.0001758200000000, 0.0000241700000000, 0.0001470900000000 ] - [ -0.0000121900000000, 0.0003597600000000, -0.0006879900000000 ] - [ 0.0020236400000000, -0.0008202000000000, 0.0009865300000000 ] - [ 0.0006680500000000, 0.0006786200000000, 0.0001873600000000 ] - [ -0.0003272200000000, 0.0003655800000000, 0.0003100700000000 ] - [ 0.0003457700000000, 0.0001120900000000, -0.0000626500000000 ] - [ 0.0004770100000000, 0.0009498700000000, -0.0003031700000000 ] - [ -0.0006682200000000, -0.0001822500000000, 0.0020534500000000 ] - [ 0.0014551300000000, 0.0016569400000000, -0.0005020600000000 ] - [ -0.0002984500000000, 0.0002429800000000, 0.0001607900000000 ] - [ 0.0003531600000000, -0.0000964900000000, 0.0000275500000000 ] - [ 0.0002084700000000, 0.0003849400000000, -0.0002360100000000 ] - [ 0.0000457600000000, 0.0000801100000000, 0.0003079000000000 ] - [ -0.0000192400000000, -0.0001784000000000, -0.0005026100000000 ] - [ -0.0002186800000000, -0.0000015200000000, -0.0000449900000000 ] - [ 0.0002838100000000, -0.0001552500000000, 0.0002437500000000 ] - [ -0.0002792500000000, -0.0001620200000000, 0.0002458300000000 ] - [ 0.0002081500000000, -0.0000320900000000, -0.0000497900000000 ] - [ 0.0000269500000000, -0.0001587800000000, -0.0004716800000000 ] - [ 0.0000116900000000, 0.0001878500000000, 0.0004151300000000 ] - [ -0.0002085600000000, 0.0004159100000000, -0.0002548700000000 ] - [ -0.0003798400000000, -0.0001070100000000, 0.0000087800000000 ] - [ 0.0003166900000000, 0.0001997800000000, 0.0001064100000000 ] - [ 0.0000903400000000, -0.0002880800000000, -0.0002859300000000 ] - [ 0.0000196500000000, -0.0000459300000000, 0.0002937500000000 ] - [ -0.0000053900000000, 0.0002235200000000, -0.0004937600000000 ] - [ -0.0002526600000000, 0.0000901000000000, -0.0000449000000000 ] - [ 0.0003315400000000, 0.0003540600000000, 0.0003098000000000 ] - [ -0.0004861300000000, 0.0008642600000000, 0.0003991400000000 ] - [ 0.0000688300000000, 0.0000697100000000, -0.0000510100000000 ] - [ 0.0000202600000000, 0.0003584400000000, -0.0006997200000000 ] - [ -0.0000519800000000, -0.0000135100000000, 0.0002537100000000 ] - [ -0.0001565700000000, -0.0002081400000000, -0.0001204500000000 ] - [ -0.0003349900000000, 0.0002624100000000, 0.0001009100000000 ] - [ -0.0126875700000000, -0.0139838100000000, -0.0194758500000000 ] - [ 0.0000056900000000, -0.0002840800000000, -0.0001405800000000 ] - [ 0.0005215200000000, -0.0018946700000000, 0.0011515200000000 ] - [ 0.0004662800000000, 0.0005982900000000, -0.0001198100000000 ] - [ -0.0004213100000000, -0.0000722900000000, -0.0000788500000000 ] - [ 0.0007736900000000, 0.0000232300000000, -0.0001210700000000 ] - [ -0.0004621900000000, 0.0011103800000000, -0.0001664200000000 ] - [ 0.0005760000000000, 0.0008393900000000, -0.0001402500000000 ] - [ 0.0001038000000000, -0.0011201300000000, -0.0001952600000000 ] - [ 0.0007069200000000, -0.0002014300000000, -0.0000769200000000 ] - [ 0.0001157400000000, -0.0014562200000000, -0.0001803900000000 ] - [ 0.0003034800000000, 0.0021644000000000, -0.0001912700000000 ] - [ -0.0003694300000000, -0.0002501300000000, -0.0000987600000000 ] - [ 0.0000013600000000, -0.0004291600000000, -0.0002087600000000 ] - [ -0.0004220400000000, 0.0011357800000000, -0.0001755400000000 ] - [ 0.0002803000000000, 0.0014424000000000, -0.0001660400000000 ] - [ -0.0000152600000000, -0.0003356300000000, 0.0000894800000000 ] - [ 0.0001053100000000, -0.0008690400000000, -0.0001073600000000 ] - [ 0.0595993400000000, 0.0957320500000000, -0.1030134200000000 ] - [ -0.0004599800000000, -0.0007320100000000, -0.0003461600000000 ] - [ 0.0000579700000000, 0.0002603000000000, 0.0011237900000000 ] - [ -0.0002686100000000, -0.0002518600000000, -0.0003299500000000 ] - [ 0.0020664900000000, -0.0003452500000000, -0.0006387400000000 ] - [ 0.0001463300000000, -0.0004220000000000, 0.0009155200000000 ] - [ 0.0000933500000000, 0.0004938200000000, -0.0008771500000000 ] - [ -0.0005785800000000, 0.0001503900000000, 0.0001140600000000 ] - [ 0.0010667000000000, 0.0011999000000000, 0.0001592500000000 ] - [ -0.0028822900000000, 0.0003452400000000, -0.0013598400000000 ] - [ 0.0000152400000000, -0.0000529400000000, 0.0001466900000000 ] - [ 0.0000154900000000, 0.0003083800000000, -0.0000924100000000 ] - [ 0.0004888300000000, 0.0003508800000000, 0.0001724900000000 ] - [ -0.0003906100000000, 0.0001015500000000, -0.0003582400000000 ] - [ -0.0002900600000000, -0.0000974400000000, 0.0009318100000000 ] - [ -0.0001221400000000, 0.0001896300000000, -0.0002629000000000 ] - [ 0.0001457300000000, 0.0000970400000000, -0.0002942600000000 ] - [ 0.0002988900000000, 0.0003306100000000, 0.0008678800000000 ] - [ 0.0003296400000000, 0.0005654700000000, -0.0003810500000000 ] - [ -0.0007687700000000, -0.0003019100000000, 0.0001696400000000 ] - [ -0.0001785200000000, 0.0005988600000000, -0.0000967600000000 ] - [ -0.0000933500000000, 0.0001993700000000, 0.0001831400000000 ] - [ -0.0001353900000000, -0.0002838300000000, 0.0002140700000000 ] - [ 0.0001277300000000, -0.0008639100000000, -0.0001587100000000 ] - [ 0.0008022900000000, 0.0001029200000000, 0.0001762100000000 ] - [ -0.0006754600000000, -0.0005084500000000, -0.0004730000000000 ] - [ -0.0003034300000000, -0.0003651000000000, 0.0008818900000000 ] - [ -0.0007523600000000, -0.0010939700000000, -0.0008256100000000 ] - [ 0.0003077600000000, -0.0002325400000000, -0.0002885600000000 ] - [ 0.0003451300000000, -0.0002879800000000, 0.0008944300000000 ] - [ 0.0006533900000000, -0.0004567100000000, -0.0004457700000000 ] - [ -0.0008756900000000, 0.0000464100000000, 0.0001682400000000 ] - [ 0.0000378600000000, -0.0006044700000000, -0.0000884800000000 ] - [ 0.0001551700000000, -0.0001808600000000, 0.0002000500000000 ] - [ -0.0002438800000000, -0.0000909000000000, 0.0001289200000000 ] - [ -0.0002723600000000, 0.0000246000000000, -0.0000802000000000 ] - [ 0.0008053200000000, -0.0003939100000000, 0.0001847100000000 ] - [ -0.0007403300000000, 0.0001346900000000, -0.0004145200000000 ] - [ -0.0005112200000000, 0.0000757300000000, 0.0008328800000000 ] - [ -0.0004265300000000, -0.0001226300000000, -0.0002173700000000 ] - [ 0.0003919000000000, -0.0000934100000000, -0.0002369900000000 ] - [ 0.0002831100000000, -0.0000823500000000, 0.0009271300000000 ] - [ 0.0005034100000000, 0.0000617100000000, -0.0003804100000000 ] - [ -0.0009259500000000, -0.0002968900000000, 0.0001957800000000 ] - [ 0.0001651000000000, 0.0001095200000000, -0.0000910000000000 ] - [ 0.0000727400000000, -0.0000776700000000, 0.0001203700000000 ] - [ -0.0001758900000000, -0.0000166100000000, 0.0001654500000000 ] - [ -0.0001276900000000, -0.0003892200000000, -0.0000906500000000 ] - [ 0.0006232400000000, 0.0003827400000000, 0.0001645700000000 ] - [ -0.0006909900000000, -0.0002187900000000, -0.0004153500000000 ] - [ -0.0004853900000000, 0.0001087700000000, 0.0009154300000000 ] - [ -0.0003738400000000, -0.0001515700000000, -0.0002603200000000 ] - [ 0.0001414000000000, 0.0000420000000000, -0.0001915000000000 ] - [ 0.0003644900000000, 0.0001982100000000, 0.0009340400000000 ] - [ 0.0001459400000000, 0.0002066300000000, -0.0002467600000000 ] - [ -0.0009666500000000, 0.0002000700000000, 0.0001881000000000 ] - [ -0.0000484600000000, 0.0002358200000000, -0.0001681700000000 ] - [ -0.0001338000000000, 0.0003878000000000, 0.0001434000000000 ] - [ -0.0001792300000000, -0.0001140100000000, 0.0000890200000000 ] - [ -0.0004158100000000, -0.0000177000000000, -0.0000544800000000 ] - [ -0.0007071900000000, 0.0004475800000000, -0.0004354300000000 ] - [ -0.0006689200000000, 0.0000114700000000, -0.0004143900000000 ] - [ -0.0003427700000000, -0.0001727700000000, 0.0009408100000000 ] - [ -0.0007746700000000, -0.0003081600000000, -0.0000742400000000 ] - [ 0.0017137700000000, -0.0011927600000000, -0.0010879700000000 ] - [ -0.0005742000000000, -0.0011829900000000, 0.0010907400000000 ] - [ -0.0001720100000000, 0.0003701000000000, 0.0028927800000000 ] - [ -0.0008823600000000, -0.0004936300000000, 0.0002221100000000 ] - [ 0.0008452800000000, 0.0041593900000000, 0.0023612700000000 ] - [ 0.0040510600000000, 0.0081548500000000, 0.0208530700000000 ] - [ -0.0001401900000000, -0.0000996400000000, 0.0001614200000000 ] - [ -0.0001535700000000, -0.0003229600000000, -0.0000682700000000 ] - [ 0.0007767300000000, 0.0001501100000000, 0.0001792100000000 ] - [ -0.0005884400000000, -0.0003582100000000, -0.0004180600000000 ] - [ -0.0002929200000000, -0.0002465300000000, 0.0008909800000000 ] - [ -0.0004345000000000, 0.0001124800000000, -0.0002842400000000 ] - [ 0.0003448900000000, -0.0001693800000000, -0.0002899500000000 ] - [ 0.0002554600000000, -0.0003089200000000, 0.0008762400000000 ] - [ 0.0006050300000000, -0.0004215200000000, -0.0004467400000000 ] - [ -0.0007306400000000, 0.0001729100000000, 0.0001869300000000 ] - [ 0.0000484400000000, -0.0005747700000000, -0.0000834900000000 ] - [ 0.0001305900000000, -0.0001761100000000, 0.0001907400000000 ] - [ 0.0000514200000000, -0.0000124300000000, 0.0001740400000000 ] - [ -0.0000821100000000, 0.0001209300000000, -0.0000765900000000 ] - [ 0.0008211400000000, -0.0003996600000000, 0.0001867100000000 ] - [ -0.0001512100000000, -0.0001426700000000, -0.0005491600000000 ] - [ 0.0000115200000000, 0.0004007400000000, 0.0010862900000000 ] - [ -0.0003503300000000, -0.0001318800000000, -0.0002409200000000 ] - [ 0.0003825800000000, -0.0001603400000000, -0.0002153300000000 ] - [ 0.0003443300000000, -0.0001975900000000, 0.0009449300000000 ] - [ 0.0005080100000000, 0.0000100400000000, -0.0003591500000000 ] - [ -0.0006269700000000, -0.0005219300000000, 0.0002459000000000 ] - [ 0.0002042500000000, -0.0000075200000000, -0.0000932600000000 ] - [ 0.0000786900000000, -0.0001266500000000, 0.0001030600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006471300000000, 0.0005926200000000, -0.0008416800000000 ] - [ -0.0000330500000000, -0.0002171800000000, -0.0004711300000000 ] - [ -0.0000527300000000, -0.0003705900000000, -0.0004536900000000 ] - [ -0.0002480300000000, 0.0001687600000000, -0.0004278600000000 ] - [ -0.0010252700000000, -0.0000235100000000, -0.0005163700000000 ] - [ 0.0000128600000000, -0.0004609400000000, -0.0004239700000000 ] - [ 0.0000638100000000, -0.0002922700000000, -0.0004485500000000 ] - [ 0.0006618600000000, -0.0044786400000000, 0.0032141300000000 ] - [ 0.0532808900000000, 0.0981384500000000, -0.0935006400000000 ] - [ 0.0002292500000000, 0.0000870600000000, -0.0003111100000000 ] - [ 0.0000903700000000, -0.0000204100000000, 0.0001906400000000 ] - [ 0.0001745200000000, -0.0006698600000000, -0.0003998600000000 ] - [ -0.0028939900000000, 0.0007457100000000, -0.0010719300000000 ] - [ -0.0005150100000000, -0.0007160200000000, -0.0004248100000000 ] - [ 0.0000261000000000, -0.0008327400000000, 0.0003298800000000 ] - [ 0.0004348700000000, -0.0001236500000000, -0.0000888100000000 ] - [ -0.0000859500000000, -0.0004302200000000, -0.0003867300000000 ] - [ 0.0011424400000000, 0.0004335100000000, 0.0009320500000000 ] - [ -0.0005540100000000, 0.0000262500000000, -0.0001089200000000 ] - [ -0.0002717900000000, -0.0002131700000000, 0.0001339500000000 ] - [ -0.0000592500000000, 0.0005106100000000, 0.0004618300000000 ] - [ 0.0002295400000000, -0.0004037600000000, -0.0002505700000000 ] - [ 0.0001251000000000, -0.0000890700000000, 0.0003239200000000 ] - [ -0.0000080300000000, 0.0001692200000000, -0.0004884000000000 ] - [ -0.0005541900000000, 0.0000988400000000, -0.0000904500000000 ] - [ 0.0003598300000000, 0.0004358800000000, 0.0003268800000000 ] - [ -0.0002598500000000, 0.0001518600000000, 0.0002382700000000 ] - [ 0.0003053100000000, 0.0000330900000000, -0.0000592100000000 ] - [ 0.0000053100000000, 0.0003879800000000, -0.0006981900000000 ] - [ -0.0001395600000000, -0.0000326700000000, 0.0002372800000000 ] - [ -0.0002060200000000, -0.0001969400000000, -0.0001317000000000 ] - [ -0.0003416700000000, 0.0001397600000000, 0.0000574700000000 ] - [ 0.0003147000000000, -0.0002079000000000, 0.0001100000000000 ] - [ 0.0001497300000000, 0.0001827200000000, -0.0001060300000000 ] - [ 0.0002567000000000, -0.0001243000000000, -0.0001591800000000 ] - [ -0.0000261500000000, -0.0003727500000000, -0.0007055000000000 ] - [ -0.0002348200000000, -0.0000856700000000, -0.0000444900000000 ] - [ 0.0003585000000000, -0.0003763300000000, 0.0003200000000000 ] - [ -0.0003526400000000, -0.0003817300000000, 0.0003191600000000 ] - [ 0.0002215800000000, -0.0001500300000000, -0.0000539800000000 ] - [ 0.0000350100000000, -0.0003543300000000, -0.0006756200000000 ] - [ -0.0000543200000000, 0.0000220100000000, 0.0002568200000000 ] - [ -0.0001530000000000, 0.0002211900000000, -0.0001304300000000 ] - [ -0.0003734700000000, -0.0002129900000000, 0.0000571200000000 ] - [ 0.0003552900000000, 0.0000876300000000, 0.0000230500000000 ] - [ 0.0001188300000000, -0.0003633100000000, -0.0002080600000000 ] - [ -0.0000429300000000, -0.0002059700000000, 0.0004445700000000 ] - [ -0.0001170700000000, 0.0001754300000000, -0.0005651300000000 ] - [ -0.0002398500000000, 0.0000057100000000, -0.0000457200000000 ] - [ 0.0002583000000000, 0.0001344200000000, 0.0002347100000000 ] - [ -0.0003864700000000, 0.0002526400000000, 0.0002925700000000 ] - [ 0.0001006600000000, 0.0000058700000000, -0.0000254600000000 ] - [ 0.0000148300000000, 0.0001610400000000, -0.0004909000000000 ] - [ 0.0000133900000000, -0.0001792800000000, 0.0004104700000000 ] - [ -0.0002154600000000, -0.0004043700000000, -0.0002480600000000 ] - [ -0.0003611800000000, 0.0001158200000000, 0.0000305300000000 ] - [ 0.0002812600000000, -0.0001091200000000, 0.0000808700000000 ] - [ 0.0001725200000000, 0.0003594900000000, -0.0002164800000000 ] - [ 0.0000115000000000, 0.0000752200000000, 0.0003208100000000 ] - [ -0.0000377700000000, -0.0002083700000000, -0.0005257300000000 ] - [ -0.0004247900000000, 0.0000061700000000, -0.0000711200000000 ] - [ 0.0002324400000000, -0.0000640600000000, 0.0002008700000000 ] - [ -0.0003573900000000, -0.0002477900000000, 0.0002858900000000 ] - [ 0.0001142500000000, -0.0000241700000000, -0.0000351600000000 ] - [ 0.0000658700000000, -0.0000579000000000, -0.0003812900000000 ] - [ -0.0001032500000000, 0.0001598600000000, 0.0003845400000000 ] - [ -0.0001876500000000, 0.0005419800000000, -0.0003472500000000 ] - [ -0.0003740200000000, -0.0001808800000000, 0.0000496400000000 ] - [ 0.0000948500000000, 0.0005089600000000, 0.0003333100000000 ] - [ 0.0002009300000000, -0.0004240600000000, -0.0002610700000000 ] - [ -0.0001508300000000, -0.0002536300000000, 0.0005459100000000 ] - [ -0.0000320500000000, 0.0001348300000000, -0.0004602600000000 ] - [ -0.0025124400000000, 0.0009083600000000, -0.0010968400000000 ] - [ -0.0000662400000000, -0.0001949700000000, 0.0003589600000000 ] - [ -0.0002741900000000, 0.0001164200000000, 0.0002339900000000 ] - [ 0.0001295900000000, -0.0000327000000000, -0.0000271100000000 ] - [ -0.0004367400000000, -0.0004530500000000, -0.0008547700000000 ] - [ 0.0006347700000000, -0.0000468100000000, -0.0013374000000000 ] - [ -0.0018686500000000, -0.0023342600000000, 0.0001186100000000 ] - [ -0.0003714600000000, 0.0000445500000000, -0.0000315900000000 ] - [ 0.0003165900000000, -0.0001915300000000, 0.0001023700000000 ] - [ 0.0001700800000000, 0.0002569800000000, -0.0001545800000000 ] - [ -0.0000202300000000, 0.0001483900000000, 0.0003843900000000 ] - [ -0.0000249300000000, -0.0003167300000000, -0.0006460700000000 ] - [ -0.0002578600000000, -0.0000783500000000, -0.0000448500000000 ] - [ 0.0003177400000000, -0.0003277900000000, 0.0003007100000000 ] - [ -0.0003221900000000, -0.0003203300000000, 0.0002982600000000 ] - [ 0.0002679300000000, -0.0000475800000000, -0.0000402700000000 ] - [ 0.0000171300000000, -0.0003368600000000, -0.0006778400000000 ] - [ -0.0000381800000000, 0.0000403000000000, 0.0002762900000000 ] - [ -0.0001699100000000, 0.0002256800000000, -0.0001353200000000 ] - [ -0.0002903700000000, -0.0001802200000000, 0.0001200700000000 ] - [ 0.0003530400000000, 0.0000878200000000, 0.0000231600000000 ] - [ 0.0002874500000000, -0.0003532100000000, -0.0001053000000000 ] - [ 0.0000068900000000, -0.0001821800000000, 0.0003976700000000 ] - [ -0.0000386000000000, 0.0002720600000000, -0.0006547400000000 ] - [ -0.0002242100000000, -0.0000105800000000, -0.0000450800000000 ] - [ 0.0002695500000000, 0.0001275800000000, 0.0002339900000000 ] - [ -0.0001149800000000, -0.0003730900000000, 0.0001473800000000 ] - [ 0.0004080700000000, 0.0000106000000000, -0.0000393200000000 ] - [ 0.0000237600000000, 0.0001359900000000, -0.0004481700000000 ] - [ 0.0000261300000000, -0.0002155700000000, 0.0004390800000000 ] - [ -0.0002224000000000, -0.0004347100000000, -0.0002707500000000 ] - [ -0.0003345200000000, 0.0000263700000000, 0.0000289600000000 ] - [ 0.0119886400000000, 0.0128003300000000, 0.0194658500000000 ] - [ 0.0008386600000000, -0.0010039400000000, -0.0001234400000000 ] - [ -0.0013752100000000, 0.0031916300000000, -0.0014412600000000 ] - [ 0.0003743500000000, 0.0006921000000000, -0.0001448800000000 ] - [ -0.0004195600000000, -0.0012181600000000, -0.0001856400000000 ] - [ 0.0000650000000000, -0.0013292300000000, -0.0001457000000000 ] - [ -0.0003785800000000, 0.0001754400000000, -0.0000973600000000 ] - [ 0.0002614400000000, 0.0004455400000000, -0.0001242400000000 ] - [ -0.0009512700000000, -0.0001663300000000, -0.0000685000000000 ] - [ 0.0001315000000000, -0.0010890000000000, -0.0001879300000000 ] - [ -0.0009526700000000, 0.0027470500000000, -0.0000829100000000 ] - [ 0.0005395100000000, -0.0008889500000000, -0.0000729100000000 ] - [ -0.0004714700000000, -0.0010393900000000, -0.0001655600000000 ] - [ 0.0008356700000000, -0.0008563300000000, -0.0000566100000000 ] - [ -0.0004199900000000, 0.0001503100000000, -0.0000883000000000 ] - [ 0.0005630100000000, -0.0001521100000000, -0.0000975400000000 ] - [ -0.0002013400000000, 0.0002599600000000, 0.0002111100000000 ] - [ -0.0003341800000000, 0.0002130400000000, -0.0000731100000000 ] - [ -0.0556860300000000, -0.0949534800000000, 0.0987127000000000 ] - [ -0.0006725700000000, 0.0002696500000000, -0.0004724800000000 ] - [ -0.0006612500000000, -0.0004456500000000, 0.0006934900000000 ] - [ -0.0004594900000000, 0.0001729800000000, -0.0001796900000000 ] - [ -0.0013551100000000, 0.0002585300000000, 0.0001326800000000 ] - [ 0.0004811900000000, 0.0002827000000000, 0.0008965500000000 ] - [ 0.0010303200000000, -0.0009558500000000, 0.0000554700000000 ] - [ -0.0010292700000000, 0.0003805200000000, 0.0002619900000000 ] - [ -0.0008422500000000, -0.0018747300000000, -0.0003373900000000 ] - [ 0.0031353300000000, -0.0004227800000000, 0.0016787800000000 ] - [ -0.0002317600000000, 0.0001311000000000, 0.0001519800000000 ] - [ -0.0002446500000000, 0.0003497000000000, -0.0000879300000000 ] - [ 0.0011213100000000, -0.0008874800000000, 0.0002031600000000 ] - [ -0.0007395900000000, 0.0003642800000000, -0.0004589300000000 ] - [ -0.0003160900000000, 0.0002773800000000, 0.0008859600000000 ] - [ -0.0006075800000000, -0.0001122600000000, -0.0002492800000000 ] - [ 0.0005854800000000, -0.0000167700000000, -0.0002176500000000 ] - [ 0.0003056800000000, -0.0001548800000000, 0.0009506600000000 ] - [ 0.0008037500000000, -0.0001026000000000, -0.0004365600000000 ] - [ -0.0008383100000000, -0.0002282500000000, 0.0002057800000000 ] - [ 0.0004094400000000, 0.0000597800000000, -0.0000829800000000 ] - [ 0.0003118900000000, -0.0001224300000000, 0.0001156900000000 ] - [ -0.0000809800000000, 0.0002059200000000, 0.0000848500000000 ] - [ -0.0003562800000000, 0.0002021500000000, -0.0000240400000000 ] - [ 0.0008045500000000, 0.0004281200000000, 0.0001998900000000 ] - [ -0.0004594300000000, 0.0000423100000000, -0.0003464600000000 ] - [ -0.0003021500000000, 0.0001860400000000, 0.0009365400000000 ] - [ 0.0000140700000000, 0.0010032700000000, 0.0003083800000000 ] - [ 0.0004197300000000, 0.0001533600000000, -0.0002217300000000 ] - [ 0.0002588900000000, 0.0001088500000000, 0.0009237400000000 ] - [ 0.0004749100000000, -0.0000076800000000, -0.0003712100000000 ] - [ -0.0007325500000000, 0.0004845900000000, 0.0002080500000000 ] - [ 0.0001906500000000, -0.0000521200000000, -0.0000919800000000 ] - [ 0.0000598900000000, 0.0001035400000000, 0.0000991300000000 ] - [ 0.0000293800000000, 0.0001719800000000, 0.0001683600000000 ] - [ 0.0000470400000000, 0.0006387800000000, -0.0000996000000000 ] - [ 0.0008015900000000, -0.0001359400000000, 0.0001909100000000 ] - [ -0.0003858200000000, 0.0003336800000000, -0.0004008700000000 ] - [ -0.0000920800000000, 0.0001068900000000, 0.0009858500000000 ] - [ -0.0003003400000000, 0.0002042200000000, -0.0002921200000000 ] - [ 0.0003356500000000, 0.0001735300000000, -0.0002736500000000 ] - [ 0.0003223500000000, 0.0002629700000000, 0.0008907400000000 ] - [ 0.0006285300000000, 0.0004053800000000, -0.0004382200000000 ] - [ -0.0006793600000000, -0.0002322400000000, 0.0001797000000000 ] - [ 0.0000616000000000, 0.0005525000000000, -0.0000898300000000 ] - [ 0.0001432100000000, 0.0001560200000000, 0.0001792100000000 ] - [ -0.0000386500000000, -0.0000614500000000, 0.0001336200000000 ] - [ -0.0000986600000000, -0.0002712800000000, -0.0000902400000000 ] - [ 0.0009860900000000, 0.0001482000000000, 0.0002106800000000 ] - [ -0.0004384000000000, -0.0002478100000000, -0.0004022600000000 ] - [ -0.0001169900000000, -0.0002894000000000, 0.0009028400000000 ] - [ -0.0003535200000000, 0.0000722800000000, -0.0002517400000000 ] - [ 0.0005880000000000, -0.0001220600000000, -0.0003209800000000 ] - [ 0.0002423500000000, -0.0003778000000000, 0.0008843200000000 ] - [ 0.0009866900000000, -0.0006730300000000, -0.0005715000000000 ] - [ -0.0006384300000000, 0.0003313100000000, 0.0001868200000000 ] - [ 0.0002768000000000, -0.0008987600000000, -0.0000110800000000 ] - [ 0.0003513300000000, -0.0004663300000000, 0.0001548800000000 ] - [ -0.0000350600000000, 0.0001928200000000, 0.0002103000000000 ] - [ 0.0001915800000000, 0.0006802800000000, -0.0001256900000000 ] - [ 0.0023262500000000, -0.0009809400000000, 0.0008176600000000 ] - [ -0.0004596000000000, 0.0004552300000000, -0.0004027500000000 ] - [ -0.0002621800000000, 0.0003532000000000, 0.0008770300000000 ] - [ 0.0000483800000000, 0.0003871900000000, -0.0004401700000000 ] - [ -0.0009743300000000, 0.0012565100000000, 0.0005643200000000 ] - [ 0.0011929700000000, 0.0013754200000000, 0.0007291000000000 ] - [ 0.0012863200000000, 0.0000898300000000, -0.0037497200000000 ] - [ -0.0007232300000000, -0.0000355800000000, 0.0001532800000000 ] - [ -0.0006547000000000, -0.0035188800000000, -0.0026113100000000 ] - [ -0.0038044100000000, -0.0081916100000000, -0.0209818300000000 ] - [ -0.0000741900000000, 0.0000227700000000, 0.0001378200000000 ] - [ -0.0000725700000000, -0.0003362800000000, -0.0001126700000000 ] - [ 0.0008302200000000, 0.0003803200000000, 0.0001969500000000 ] - [ -0.0005410100000000, -0.0001074600000000, -0.0003992400000000 ] - [ -0.0003118600000000, 0.0000674200000000, 0.0009273400000000 ] - [ -0.0002914500000000, -0.0001920100000000, -0.0002273700000000 ] - [ 0.0003830600000000, 0.0000908700000000, -0.0002206100000000 ] - [ 0.0003492700000000, 0.0001306500000000, 0.0009424700000000 ] - [ 0.0005227900000000, -0.0000430000000000, -0.0003695200000000 ] - [ -0.0008750800000000, 0.0003567200000000, 0.0001882200000000 ] - [ 0.0001803200000000, -0.0000827400000000, -0.0000971200000000 ] - [ 0.0000844200000000, 0.0000979900000000, 0.0001079300000000 ] - [ -0.0002664600000000, 0.0000895100000000, 0.0001261200000000 ] - [ -0.0001459500000000, 0.0005360900000000, -0.0001034600000000 ] - [ 0.0007853900000000, -0.0001309300000000, 0.0001884900000000 ] - [ -0.0009746800000000, 0.0006034800000000, -0.0002694400000000 ] - [ -0.0006152500000000, -0.0002223100000000, 0.0007330900000000 ] - [ -0.0003780300000000, 0.0002118400000000, -0.0002698000000000 ] - [ 0.0003454400000000, 0.0002407400000000, -0.0002962900000000 ] - [ 0.0002606000000000, 0.0003779800000000, 0.0008732000000000 ] - [ 0.0006228700000000, 0.0004565400000000, -0.0004588800000000 ] - [ -0.0009803500000000, -0.0000086100000000, 0.0001302400000000 ] - [ 0.0000223100000000, 0.0006697600000000, -0.0000874200000000 ] - [ 0.0001371400000000, 0.0002051800000000, 0.0001960900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003703300000000, 0.0007998000000000, 0.0000176900000000 ] - [ -0.0000798200000000, -0.0001594400000000, -0.0004676200000000 ] - [ -0.0000323300000000, -0.0003535100000000, -0.0004834800000000 ] - [ -0.0005058200000000, 0.0001458600000000, -0.0004286300000000 ] - [ -0.0009629900000000, -0.0005264900000000, -0.0007215800000000 ] - [ 0.0000676000000000, -0.0003552300000000, -0.0004395200000000 ] - [ 0.0000458500000000, -0.0001405400000000, -0.0004312300000000 ] - [ 0.0032607200000000, -0.0044601300000000, 0.0011976100000000 ] - [ 0.0641643600000000, 0.0913345300000000, -0.1636509000000000 ] - [ 0.0001214600000000, 0.0001551100000000, 0.0001711200000000 ] - [ 0.0000843100000000, 0.0000121300000000, 0.0002259800000000 ] - [ 0.0003204600000000, -0.0009575900000000, -0.0008608700000000 ] - [ -0.0045485400000000, 0.0017853500000000, -0.0074572000000000 ] - [ 0.0002846000000000, -0.0001709200000000, -0.0004334200000000 ] - [ 0.0002680400000000, 0.0001416700000000, -0.0001024000000000 ] - [ 0.0004928100000000, -0.0001055200000000, -0.0000218400000000 ] - [ -0.0002424900000000, -0.0000140100000000, 0.0004639200000000 ] - [ -0.0002047200000000, 0.0006289300000000, -0.0002246500000000 ] - [ -0.0014625700000000, -0.0002925500000000, -0.0001600500000000 ] - [ -0.0002967900000000, -0.0001363000000000, 0.0001242200000000 ] - [ -0.0002117400000000, 0.0004153500000000, 0.0006447700000000 ] - [ 0.0002077000000000, -0.0003579400000000, -0.0002189300000000 ] - [ 0.0000128800000000, 0.0000121100000000, 0.0002199400000000 ] - [ -0.0000155800000000, 0.0002065500000000, -0.0005298900000000 ] - [ -0.0007840600000000, 0.0001325500000000, -0.0001375300000000 ] - [ 0.0002276900000000, 0.0003333400000000, 0.0002519600000000 ] - [ -0.0002866200000000, 0.0001955700000000, 0.0002561700000000 ] - [ 0.0002394200000000, 0.0000516400000000, -0.0000526600000000 ] - [ -0.0000241000000000, 0.0003451700000000, -0.0006527700000000 ] - [ -0.0002081400000000, -0.0000402100000000, 0.0002166300000000 ] - [ -0.0002705100000000, -0.0002468500000000, -0.0001530900000000 ] - [ -0.0003688000000000, 0.0001365800000000, 0.0000335600000000 ] - [ 0.0003264800000000, -0.0001900500000000, 0.0000928200000000 ] - [ 0.0001736300000000, 0.0002182000000000, -0.0001320700000000 ] - [ 0.0003622300000000, 0.0001291500000000, 0.0001116100000000 ] - [ -0.0000150600000000, -0.0003480200000000, -0.0006728700000000 ] - [ -0.0002191700000000, -0.0000721300000000, -0.0000438400000000 ] - [ 0.0003490300000000, -0.0003415300000000, 0.0003085300000000 ] - [ -0.0003269500000000, -0.0003501900000000, 0.0003040700000000 ] - [ 0.0003025400000000, -0.0001177000000000, -0.0000630600000000 ] - [ 0.0000340600000000, -0.0003217800000000, -0.0006405600000000 ] - [ -0.0000408300000000, 0.0000392900000000, 0.0002789000000000 ] - [ -0.0001632000000000, 0.0002513600000000, -0.0001505700000000 ] - [ -0.0003254400000000, -0.0002137600000000, 0.0001239900000000 ] - [ 0.0003499400000000, 0.0001020500000000, 0.0000341800000000 ] - [ 0.0001596100000000, -0.0003362700000000, -0.0001752700000000 ] - [ -0.0000548900000000, -0.0002198600000000, 0.0004753200000000 ] - [ -0.0001421200000000, 0.0001327900000000, -0.0005890400000000 ] - [ -0.0002530000000000, 0.0000139200000000, -0.0000475800000000 ] - [ 0.0002536900000000, 0.0001434600000000, 0.0002369600000000 ] - [ -0.0004453400000000, 0.0002298100000000, 0.0002989600000000 ] - [ 0.0000268900000000, -0.0000054600000000, -0.0000157100000000 ] - [ 0.0000083900000000, 0.0001749400000000, -0.0005096800000000 ] - [ -0.0000027300000000, -0.0001592000000000, 0.0003867000000000 ] - [ -0.0002177500000000, -0.0003866500000000, -0.0002379400000000 ] - [ -0.0003874700000000, 0.0001100600000000, 0.0000100300000000 ] - [ 0.0002106400000000, -0.0001598500000000, 0.0001602800000000 ] - [ 0.0001298800000000, 0.0003253200000000, -0.0001957200000000 ] - [ -0.0000017000000000, 0.0000860200000000, 0.0003343200000000 ] - [ -0.0000661200000000, -0.0002472600000000, -0.0005595100000000 ] - [ -0.0006723000000000, -0.0000174200000000, -0.0001004900000000 ] - [ 0.0001566700000000, -0.0000055600000000, 0.0001741300000000 ] - [ -0.0004142100000000, -0.0003317900000000, 0.0003174600000000 ] - [ 0.0000666300000000, -0.0000302100000000, -0.0000284200000000 ] - [ -0.0000245600000000, -0.0000437800000000, -0.0003831500000000 ] - [ -0.0001886000000000, 0.0000689600000000, 0.0003092300000000 ] - [ -0.0003096500000000, 0.0005741000000000, -0.0003382500000000 ] - [ -0.0003657600000000, -0.0002009000000000, 0.0000620400000000 ] - [ -0.0001649800000000, 0.0005439700000000, 0.0006456200000000 ] - [ 0.0002075800000000, -0.0004221700000000, -0.0002594100000000 ] - [ -0.0001622900000000, -0.0003037600000000, 0.0007186600000000 ] - [ -0.0000261800000000, 0.0001472900000000, -0.0004721200000000 ] - [ -0.0053983600000000, 0.0005179500000000, -0.0021724400000000 ] - [ -0.0002602700000000, -0.0002159400000000, 0.0009102100000000 ] - [ -0.0002669000000000, 0.0001288200000000, 0.0002357800000000 ] - [ 0.0001907100000000, -0.0000492200000000, -0.0000275200000000 ] - [ 0.0007344200000000, 0.0004064500000000, 0.0001070700000000 ] - [ -0.0005164600000000, 0.0013887100000000, -0.0000223200000000 ] - [ -0.0013254800000000, -0.0026861000000000, -0.0039082600000000 ] - [ -0.0003300700000000, 0.0000467400000000, 0.0000412500000000 ] - [ 0.0003135000000000, -0.0001823500000000, 0.0001003800000000 ] - [ 0.0001583900000000, 0.0002716100000000, -0.0001614100000000 ] - [ -0.0000716000000000, 0.0001725100000000, 0.0004230500000000 ] - [ -0.0000355900000000, -0.0002945900000000, -0.0006259500000000 ] - [ -0.0002656300000000, -0.0000704500000000, -0.0000456600000000 ] - [ 0.0003097500000000, -0.0003089100000000, 0.0002929200000000 ] - [ -0.0003309000000000, -0.0002978000000000, 0.0002946100000000 ] - [ 0.0001742000000000, -0.0000344200000000, -0.0000318300000000 ] - [ 0.0000163100000000, -0.0003213200000000, -0.0006631700000000 ] - [ -0.0000337200000000, 0.0000664800000000, 0.0002960600000000 ] - [ -0.0001724400000000, 0.0002436600000000, -0.0001439400000000 ] - [ -0.0003284800000000, -0.0001288500000000, 0.0000623700000000 ] - [ 0.0003481000000000, 0.0001021700000000, 0.0000341300000000 ] - [ 0.0001988100000000, -0.0002424800000000, -0.0001522700000000 ] - [ 0.0000380900000000, -0.0001328500000000, 0.0003397700000000 ] - [ -0.0000584600000000, 0.0003900200000000, -0.0006225000000000 ] - [ -0.0002105100000000, 0.0000018700000000, -0.0000429100000000 ] - [ 0.0002921500000000, 0.0001739300000000, 0.0002506200000000 ] - [ -0.0002923200000000, 0.0002783800000000, 0.0005451900000000 ] - [ 0.0005003300000000, 0.0001138600000000, -0.0000774300000000 ] - [ 0.0000308200000000, 0.0001724800000000, -0.0004854700000000 ] - [ 0.0000260900000000, -0.0001952600000000, 0.0004244500000000 ] - [ -0.0002039200000000, -0.0004017600000000, -0.0002454000000000 ] - [ -0.0003495400000000, 0.0001074500000000, 0.0000058200000000 ] - [ 0.0099348600000000, 0.0103239700000000, 0.0448022700000000 ] - [ 0.0007724600000000, -0.0006938800000000, -0.0001293600000000 ] - [ 0.0001236000000000, 0.0021244600000000, -0.0035914400000000 ] - [ 0.0001663400000000, 0.0006955300000000, -0.0001413700000000 ] - [ -0.0003606000000000, -0.0010786300000000, -0.0001720800000000 ] - [ -0.0000414300000000, -0.0020289300000000, -0.0002549300000000 ] - [ -0.0003922000000000, 0.0002915100000000, -0.0001026900000000 ] - [ 0.0000541500000000, 0.0004539200000000, -0.0001443600000000 ] - [ -0.0014250600000000, -0.0003743500000000, -0.0001051300000000 ] - [ 0.0001462200000000, -0.0012007800000000, -0.0001790400000000 ] - [ -0.0010463600000000, 0.0023722300000000, -0.0002846100000000 ] - [ 0.0008063400000000, -0.0003891500000000, -0.0000340600000000 ] - [ -0.0005098700000000, -0.0009381300000000, -0.0001499600000000 ] - [ 0.0004484100000000, -0.0004116800000000, -0.0001440500000000 ] - [ -0.0004076500000000, 0.0002763000000000, -0.0000958900000000 ] - [ 0.0007824300000000, 0.0001279100000000, -0.0000198400000000 ] - [ -0.0002337300000000, 0.0002414000000000, 0.0000298800000000 ] - [ -0.0003221500000000, 0.0000815900000000, -0.0001019000000000 ] - [ -0.0751111300000000, -0.1031886300000000, 0.1658845300000000 ] - [ -0.0010053400000000, -0.0000892300000000, -0.0001120700000000 ] - [ -0.0014651300000000, 0.0008353500000000, 0.0000645300000000 ] - [ -0.0004534700000000, 0.0001169600000000, -0.0002064100000000 ] - [ 0.0006620000000000, -0.0018830000000000, -0.0001949400000000 ] - [ 0.0019340500000000, 0.0019878100000000, -0.0002677100000000 ] - [ -0.0012039600000000, -0.0009208300000000, -0.0005446700000000 ] - [ -0.0010694900000000, 0.0002320900000000, 0.0000940900000000 ] - [ -0.0007934800000000, -0.0013323700000000, 0.0003123200000000 ] - [ 0.0057903200000000, -0.0003156700000000, 0.0036918800000000 ] - [ -0.0001724800000000, 0.0000480000000000, 0.0001291100000000 ] - [ -0.0002477300000000, 0.0001497800000000, -0.0000352700000000 ] - [ 0.0013145600000000, -0.0008034000000000, 0.0001916800000000 ] - [ -0.0006286600000000, 0.0002819400000000, -0.0004182000000000 ] - [ -0.0002971000000000, 0.0001905100000000, 0.0008960600000000 ] - [ -0.0002190000000000, -0.0001843500000000, -0.0002017800000000 ] - [ 0.0007060900000000, 0.0000196100000000, -0.0002475200000000 ] - [ 0.0004415000000000, -0.0001453700000000, 0.0009234200000000 ] - [ 0.0009937200000000, 0.0000646400000000, -0.0004042700000000 ] - [ -0.0007642700000000, -0.0002469200000000, 0.0001909100000000 ] - [ 0.0005509000000000, 0.0001013400000000, -0.0000442400000000 ] - [ 0.0005324900000000, -0.0000651500000000, 0.0001605000000000 ] - [ -0.0001546500000000, 0.0001477600000000, 0.0001115400000000 ] - [ -0.0004256300000000, 0.0001084600000000, -0.0002501700000000 ] - [ 0.0007807600000000, 0.0003818100000000, 0.0001864200000000 ] - [ -0.0006441500000000, -0.0000440900000000, -0.0004109500000000 ] - [ -0.0003323300000000, 0.0001473700000000, 0.0009335500000000 ] - [ -0.0006170500000000, 0.0005254600000000, 0.0006032400000000 ] - [ 0.0003798200000000, 0.0001232100000000, -0.0002310300000000 ] - [ 0.0002527200000000, 0.0000376700000000, 0.0009180000000000 ] - [ 0.0004886200000000, -0.0000778000000000, -0.0003798500000000 ] - [ -0.0008226700000000, 0.0004606600000000, 0.0002274100000000 ] - [ 0.0001705400000000, -0.0000911000000000, -0.0000894400000000 ] - [ 0.0000687200000000, 0.0000659400000000, 0.0001166000000000 ] - [ 0.0000677300000000, 0.0002896800000000, 0.0000696200000000 ] - [ 0.0001308200000000, 0.0007615400000000, -0.0001080200000000 ] - [ 0.0008089700000000, -0.0001572100000000, 0.0001812500000000 ] - [ -0.0002876500000000, 0.0004604700000000, -0.0003459500000000 ] - [ -0.0000957700000000, 0.0001818100000000, 0.0010623300000000 ] - [ -0.0002745500000000, 0.0001957800000000, -0.0003213300000000 ] - [ 0.0003586300000000, 0.0001183100000000, -0.0002783500000000 ] - [ 0.0003512200000000, 0.0002103100000000, 0.0009033300000000 ] - [ 0.0006471700000000, 0.0003843300000000, -0.0004339900000000 ] - [ -0.0005925500000000, -0.0002171700000000, 0.0001606800000000 ] - [ 0.0000932000000000, 0.0004806100000000, -0.0000830000000000 ] - [ 0.0001562300000000, 0.0001287500000000, 0.0001798300000000 ] - [ 0.0000333200000000, -0.0000433200000000, 0.0001361700000000 ] - [ -0.0000579700000000, -0.0002647000000000, -0.0000907700000000 ] - [ 0.0012128800000000, 0.0002062000000000, 0.0002211900000000 ] - [ -0.0003401800000000, -0.0001837400000000, -0.0003921900000000 ] - [ -0.0000375400000000, -0.0002060600000000, 0.0009138100000000 ] - [ -0.0003238600000000, 0.0000588200000000, -0.0002601800000000 ] - [ 0.0007164300000000, 0.0000376700000000, -0.0002889700000000 ] - [ 0.0004382800000000, -0.0004178300000000, 0.0008709300000000 ] - [ 0.0012808300000000, -0.0007052600000000, -0.0005887700000000 ] - [ -0.0006015800000000, 0.0003908300000000, 0.0001747700000000 ] - [ 0.0004443600000000, -0.0006236100000000, 0.0000500700000000 ] - [ 0.0006394700000000, -0.0004448000000000, -0.0000207400000000 ] - [ -0.0000702600000000, 0.0002151300000000, 0.0002182300000000 ] - [ 0.0001869300000000, 0.0007754300000000, -0.0001902700000000 ] - [ 0.0040548700000000, -0.0007364400000000, 0.0013912300000000 ] - [ -0.0005632200000000, 0.0004590800000000, -0.0004376100000000 ] - [ -0.0002876200000000, 0.0003024500000000, 0.0008856300000000 ] - [ 0.0001227800000000, 0.0004992900000000, -0.0007273600000000 ] - [ -0.0001475100000000, -0.0004795500000000, 0.0004500500000000 ] - [ 0.0007757300000000, 0.0016610700000000, 0.0021436600000000 ] - [ 0.0021239600000000, -0.0001645100000000, -0.0087976500000000 ] - [ -0.0008152200000000, -0.0000570700000000, 0.0001521400000000 ] - [ 0.0000958900000000, -0.0041386800000000, -0.0048025300000000 ] - [ 0.0023488600000000, 0.0070532300000000, -0.0256420700000000 ] - [ -0.0000026800000000, 0.0000052100000000, 0.0001523200000000 ] - [ 0.0000205800000000, -0.0003540900000000, -0.0001165800000000 ] - [ 0.0008390800000000, 0.0003512000000000, 0.0001843900000000 ] - [ -0.0004165100000000, -0.0001617200000000, -0.0003687700000000 ] - [ -0.0002803000000000, 0.0000215200000000, 0.0009218200000000 ] - [ -0.0001516600000000, -0.0002341400000000, -0.0002362600000000 ] - [ 0.0003872100000000, 0.0000490900000000, -0.0002420300000000 ] - [ 0.0003570700000000, 0.0001236200000000, 0.0009396300000000 ] - [ 0.0005519500000000, -0.0000943500000000, -0.0003798400000000 ] - [ -0.0007694600000000, 0.0002605000000000, 0.0001690300000000 ] - [ 0.0001634200000000, -0.0001513900000000, -0.0000911800000000 ] - [ 0.0000974900000000, 0.0000666100000000, 0.0001269800000000 ] - [ -0.0002220600000000, -0.0000600500000000, 0.0001741500000000 ] - [ -0.0001672100000000, 0.0002906400000000, -0.0000873800000000 ] - [ 0.0007749000000000, -0.0001689000000000, 0.0001771100000000 ] - [ -0.0006592600000000, 0.0000802500000000, -0.0004178800000000 ] - [ -0.0006706100000000, -0.0004216900000000, 0.0007480100000000 ] - [ -0.0004031200000000, 0.0001310300000000, -0.0002505500000000 ] - [ 0.0003190600000000, 0.0002007900000000, -0.0002913600000000 ] - [ 0.0002422500000000, 0.0002859100000000, 0.0008798300000000 ] - [ 0.0005807500000000, 0.0003956100000000, -0.0004406300000000 ] - [ -0.0011295800000000, 0.0001058700000000, 0.0003149500000000 ] - [ 0.0000281100000000, 0.0005736700000000, -0.0000879600000000 ] - [ 0.0001114500000000, 0.0001610400000000, 0.0001891800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003602300000000, -0.0007816000000000, -0.0009280000000000 ] - [ 0.0000784200000000, 0.0001545100000000, -0.0004455900000000 ] - [ 0.0000307600000000, 0.0003444400000000, -0.0004297900000000 ] - [ 0.0004954300000000, -0.0001414500000000, -0.0004832100000000 ] - [ 0.0009376800000000, 0.0005174100000000, -0.0001973000000000 ] - [ -0.0000671600000000, 0.0003446800000000, -0.0004727200000000 ] - [ -0.0000441200000000, 0.0001367900000000, -0.0004805100000000 ] - [ -0.0031880700000000, 0.0043416900000000, -0.0020687600000000 ] - [ -0.0703357600000000, -0.1009504300000000, 0.1729797200000000 ] - [ 0.0002581000000000, 0.0004810300000000, -0.0005575600000000 ] - [ -0.0000575200000000, 0.0002143500000000, 0.0004642700000000 ] - [ -0.0003568100000000, 0.0004497600000000, -0.0002911400000000 ] - [ 0.0037879700000000, -0.0019949000000000, 0.0074335500000000 ] - [ 0.0003090700000000, -0.0003171600000000, 0.0009637600000000 ] - [ -0.0008614400000000, -0.0006211100000000, 0.0006424700000000 ] - [ -0.0000114000000000, 0.0000244100000000, -0.0000682600000000 ] - [ 0.0002774000000000, -0.0004813400000000, -0.0015929300000000 ] - [ 0.0001779200000000, -0.0003834700000000, 0.0009185200000000 ] - [ 0.0010629000000000, 0.0009273700000000, -0.0002342500000000 ] - [ -0.0003715900000000, -0.0001522400000000, 0.0000075500000000 ] - [ 0.0008705300000000, -0.0001197700000000, -0.0005044600000000 ] - [ 0.0001713400000000, -0.0002849300000000, -0.0001719400000000 ] - [ 0.0000136900000000, -0.0002387000000000, 0.0004704100000000 ] - [ -0.0000283100000000, 0.0002876700000000, -0.0006182600000000 ] - [ 0.0002971700000000, -0.0000512300000000, 0.0000459700000000 ] - [ 0.0003732800000000, 0.0001530900000000, 0.0002925300000000 ] - [ -0.0003149600000000, 0.0002873000000000, 0.0002881100000000 ] - [ 0.0002367500000000, 0.0000279600000000, -0.0000375000000000 ] - [ 0.0000670800000000, 0.0001528900000000, -0.0004987600000000 ] - [ 0.0001782400000000, -0.0001863600000000, 0.0004724100000000 ] - [ -0.0001094800000000, -0.0003926300000000, -0.0002358400000000 ] - [ -0.0003013700000000, 0.0001510100000000, 0.0000959300000000 ] - [ 0.0003425400000000, -0.0000992900000000, 0.0000385200000000 ] - [ 0.0002044200000000, 0.0004207100000000, -0.0002563300000000 ] - [ -0.0003300100000000, 0.0000972200000000, 0.0005738100000000 ] - [ -0.0000290000000000, -0.0001497800000000, -0.0004788000000000 ] - [ -0.0002562100000000, -0.0000083200000000, -0.0000459800000000 ] - [ 0.0002542300000000, -0.0001453400000000, 0.0002370900000000 ] - [ -0.0002758400000000, -0.0001365000000000, 0.0002412400000000 ] - [ 0.0001744500000000, 0.0000360300000000, -0.0000274800000000 ] - [ 0.0000103500000000, -0.0001758300000000, -0.0005108900000000 ] - [ 0.0000144900000000, 0.0001876600000000, 0.0004120300000000 ] - [ -0.0002145000000000, 0.0003880400000000, -0.0002379700000000 ] - [ -0.0003443500000000, -0.0000756800000000, 0.0000069000000000 ] - [ 0.0003201000000000, 0.0001845900000000, 0.0000949400000000 ] - [ 0.0002173600000000, -0.0003060100000000, -0.0002143900000000 ] - [ 0.0000788800000000, -0.0000114800000000, 0.0002202200000000 ] - [ 0.0000953700000000, 0.0003607500000000, -0.0005605900000000 ] - [ -0.0002232500000000, 0.0000649000000000, -0.0000424400000000 ] - [ 0.0003468500000000, 0.0003372300000000, 0.0003062900000000 ] - [ -0.0001598700000000, 0.0002538200000000, 0.0002459800000000 ] - [ 0.0004445400000000, 0.0000839400000000, -0.0000737200000000 ] - [ 0.0000354500000000, 0.0003181600000000, -0.0006374200000000 ] - [ -0.0000217700000000, -0.0000714500000000, 0.0003081400000000 ] - [ -0.0001615600000000, -0.0002569600000000, -0.0001535300000000 ] - [ -0.0002834300000000, 0.0001767100000000, 0.0001182900000000 ] - [ 0.0004566300000000, -0.0001276500000000, -0.0000289600000000 ] - [ 0.0002477000000000, 0.0003167900000000, -0.0001946400000000 ] - [ 0.0000264700000000, 0.0001424800000000, 0.0003589000000000 ] - [ 0.0000212200000000, -0.0002474900000000, -0.0005886700000000 ] - [ 0.0001869700000000, -0.0000612900000000, 0.0000093000000000 ] - [ 0.0004419300000000, -0.0004717900000000, 0.0003675500000000 ] - [ -0.0001899700000000, -0.0001533100000000, 0.0002276000000000 ] - [ 0.0004053300000000, -0.0000491000000000, -0.0000612200000000 ] - [ 0.0000683600000000, -0.0004455700000000, -0.0007599700000000 ] - [ 0.0001592600000000, 0.0001597200000000, 0.0003831100000000 ] - [ -0.0000710500000000, 0.0000745400000000, -0.0000562600000000 ] - [ -0.0003045400000000, -0.0000885700000000, 0.0000680800000000 ] - [ 0.0008253200000000, -0.0002458800000000, -0.0005039300000000 ] - [ 0.0001713600000000, -0.0002221000000000, -0.0001322300000000 ] - [ 0.0001829300000000, 0.0000696900000000, -0.0000161500000000 ] - [ -0.0000180400000000, 0.0003454600000000, -0.0006746600000000 ] - [ 0.0048286100000000, -0.0004119800000000, 0.0020329000000000 ] - [ 0.0008475200000000, 0.0006836000000000, -0.0003554300000000 ] - [ -0.0003344800000000, 0.0003525800000000, 0.0003080900000000 ] - [ 0.0002830800000000, 0.0001263900000000, -0.0000618300000000 ] - [ -0.0006874800000000, 0.0000808200000000, -0.0012444400000000 ] - [ 0.0004909200000000, -0.0015990900000000, 0.0006985400000000 ] - [ 0.0009325900000000, 0.0020017900000000, 0.0034424100000000 ] - [ -0.0003392900000000, 0.0002389700000000, 0.0000882700000000 ] - [ 0.0003556300000000, -0.0001067000000000, 0.0000309300000000 ] - [ 0.0002197500000000, 0.0003690700000000, -0.0002279800000000 ] - [ 0.0000954900000000, 0.0000577800000000, 0.0002711800000000 ] - [ -0.0000086600000000, -0.0002017100000000, -0.0005243600000000 ] - [ -0.0002098300000000, -0.0000099400000000, -0.0000440300000000 ] - [ 0.0002930500000000, -0.0001777300000000, 0.0002526500000000 ] - [ -0.0002713800000000, -0.0001870800000000, 0.0002501500000000 ] - [ 0.0003015600000000, -0.0000449200000000, -0.0000580800000000 ] - [ 0.0000279200000000, -0.0001767700000000, -0.0004895600000000 ] - [ 0.0000077700000000, 0.0001612400000000, 0.0003951700000000 ] - [ -0.0002049700000000, 0.0003950400000000, -0.0002439400000000 ] - [ -0.0003405200000000, -0.0001588500000000, 0.0000680000000000 ] - [ 0.0003218500000000, 0.0001845800000000, 0.0000951500000000 ] - [ 0.0001809600000000, -0.0003980900000000, -0.0002359200000000 ] - [ -0.0000120600000000, -0.0000968400000000, 0.0003531000000000 ] - [ 0.0000141600000000, 0.0001075500000000, -0.0005288700000000 ] - [ -0.0002648500000000, 0.0000766000000000, -0.0000470300000000 ] - [ 0.0003093300000000, 0.0003076900000000, 0.0002930300000000 ] - [ -0.0003078300000000, 0.0002004700000000, 0.0000008900000000 ] - [ -0.0000175100000000, -0.0000333000000000, -0.0000132300000000 ] - [ 0.0000134700000000, 0.0003207600000000, -0.0006613200000000 ] - [ -0.0000500300000000, -0.0000364600000000, 0.0002714100000000 ] - [ -0.0001751000000000, -0.0002420100000000, -0.0001460500000000 ] - [ -0.0003204900000000, 0.0001785900000000, 0.0001224200000000 ] - [ -0.0104468500000000, -0.0113052200000000, -0.0442617600000000 ] - [ 0.0000759000000000, -0.0005987300000000, -0.0001344100000000 ] - [ -0.0009866200000000, -0.0008038600000000, 0.0032787700000000 ] - [ 0.0006681500000000, 0.0005928400000000, -0.0001233600000000 ] - [ -0.0004786800000000, -0.0002217900000000, -0.0000930200000000 ] - [ 0.0008681800000000, 0.0007087700000000, -0.0000115300000000 ] - [ -0.0004471700000000, 0.0009869800000000, -0.0001604100000000 ] - [ 0.0007777600000000, 0.0008301200000000, -0.0001200300000000 ] - [ 0.0005645700000000, -0.0009062700000000, -0.0001575600000000 ] - [ 0.0006871100000000, -0.0001031600000000, -0.0000861300000000 ] - [ 0.0001843400000000, -0.0010354500000000, 0.0000170300000000 ] - [ 0.0000417900000000, 0.0016478600000000, -0.0002279400000000 ] - [ -0.0003304800000000, -0.0003579600000000, -0.0001145900000000 ] - [ 0.0003962700000000, -0.0008743900000000, -0.0001194900000000 ] - [ -0.0004320400000000, 0.0010014400000000, -0.0001670000000000 ] - [ 0.0000646600000000, 0.0011443100000000, -0.0002422100000000 ] - [ 0.0000146300000000, -0.0003130600000000, 0.0002680300000000 ] - [ 0.0000886100000000, -0.0007308900000000, -0.0000784400000000 ] - [ 0.0832908900000000, 0.1126297000000000, -0.1746889300000000 ] - [ -0.0001373400000000, -0.0003725700000000, -0.0007041300000000 ] - [ 0.0008408400000000, -0.0010089200000000, 0.0017401400000000 ] - [ -0.0002783300000000, -0.0001932600000000, -0.0003066900000000 ] - [ 0.0000571200000000, 0.0017834300000000, -0.0003242500000000 ] - [ -0.0012992200000000, -0.0021246600000000, 0.0020738000000000 ] - [ 0.0023204600000000, 0.0004372800000000, -0.0002695100000000 ] - [ -0.0005427400000000, 0.0003012600000000, 0.0002817700000000 ] - [ 0.0010128200000000, 0.0006471900000000, -0.0004845200000000 ] - [ -0.0055227400000000, 0.0002332000000000, -0.0033618200000000 ] - [ -0.0000453100000000, 0.0000319100000000, 0.0001699300000000 ] - [ 0.0000151100000000, 0.0005038800000000, -0.0001428600000000 ] - [ 0.0003031500000000, 0.0002580800000000, 0.0001848100000000 ] - [ -0.0005026300000000, 0.0001848100000000, -0.0003992200000000 ] - [ -0.0003053200000000, -0.0000066100000000, 0.0009211300000000 ] - [ -0.0005105900000000, 0.0002593000000000, -0.0003106500000000 ] - [ 0.0000312000000000, 0.0000585400000000, -0.0002649300000000 ] - [ 0.0001622600000000, 0.0003203600000000, 0.0008949800000000 ] - [ 0.0001475200000000, 0.0003952700000000, -0.0004147100000000 ] - [ -0.0008418100000000, -0.0002858700000000, 0.0001859400000000 ] - [ -0.0003122600000000, 0.0005506900000000, -0.0001344100000000 ] - [ -0.0003077200000000, 0.0001407200000000, 0.0001394400000000 ] - [ -0.0000612600000000, -0.0002205600000000, 0.0001866900000000 ] - [ 0.0001890700000000, -0.0007543600000000, 0.0000679300000000 ] - [ 0.0008250500000000, 0.0001558100000000, 0.0001897700000000 ] - [ -0.0004898700000000, -0.0004155600000000, -0.0004076100000000 ] - [ -0.0002701100000000, -0.0003217900000000, 0.0008846800000000 ] - [ -0.0001111400000000, -0.0005900200000000, -0.0011031300000000 ] - [ 0.0003504900000000, -0.0001992800000000, -0.0002821500000000 ] - [ 0.0003469700000000, -0.0002146700000000, 0.0008998600000000 ] - [ 0.0006414200000000, -0.0003833600000000, -0.0004378400000000 ] - [ -0.0007834700000000, 0.0000784200000000, 0.0001500600000000 ] - [ 0.0000604000000000, -0.0005601700000000, -0.0000901100000000 ] - [ 0.0001458100000000, -0.0001414700000000, 0.0001827800000000 ] - [ -0.0002782900000000, -0.0002054300000000, 0.0002280000000000 ] - [ -0.0003536900000000, -0.0000927400000000, -0.0000712200000000 ] - [ 0.0007978600000000, -0.0003731400000000, 0.0001948300000000 ] - [ -0.0008357200000000, 0.0000093400000000, -0.0004697400000000 ] - [ -0.0005008600000000, 0.0000003800000000, 0.0007577600000000 ] - [ -0.0004526000000000, -0.0001111200000000, -0.0001918400000000 ] - [ 0.0003707600000000, -0.0000354300000000, -0.0002370500000000 ] - [ 0.0002515300000000, -0.0000266000000000, 0.0009138600000000 ] - [ 0.0004881300000000, 0.0000857700000000, -0.0003858500000000 ] - [ -0.0010099700000000, -0.0003140500000000, 0.0002162100000000 ] - [ 0.0001343500000000, 0.0001847700000000, -0.0000966200000000 ] - [ 0.0000610000000000, -0.0000479800000000, 0.0001207300000000 ] - [ -0.0002456100000000, -0.0000353000000000, 0.0001632500000000 ] - [ -0.0001694200000000, -0.0003931800000000, -0.0000892600000000 ] - [ 0.0004024200000000, 0.0003248700000000, 0.0001562400000000 ] - [ -0.0007884300000000, -0.0002823600000000, -0.0004267000000000 ] - [ -0.0005576800000000, 0.0000222300000000, 0.0009038300000000 ] - [ -0.0004049000000000, -0.0001358500000000, -0.0002548300000000 ] - [ 0.0000211600000000, -0.0001170700000000, -0.0002264700000000 ] - [ 0.0001649400000000, 0.0002278200000000, 0.0009460100000000 ] - [ -0.0001314800000000, 0.0002271100000000, -0.0002348500000000 ] - [ -0.0009999100000000, 0.0001454200000000, 0.0002012400000000 ] - [ -0.0002086900000000, -0.0000452600000000, -0.0002268500000000 ] - [ -0.0004126300000000, 0.0003550300000000, 0.0003192500000000 ] - [ -0.0001436900000000, -0.0001316000000000, 0.0000830200000000 ] - [ -0.0004073800000000, -0.0001061400000000, 0.0000082100000000 ] - [ -0.0023833800000000, 0.0001856400000000, -0.0009900400000000 ] - [ -0.0005672700000000, 0.0000122200000000, -0.0003806800000000 ] - [ -0.0003128100000000, -0.0001159300000000, 0.0009312900000000 ] - [ -0.0008383700000000, -0.0004052700000000, 0.0002045400000000 ] - [ 0.0008550400000000, 0.0005646100000000, -0.0009516700000000 ] - [ -0.0001618000000000, -0.0014471200000000, -0.0002996000000000 ] - [ -0.0009913000000000, 0.0006144400000000, 0.0079087500000000 ] - [ -0.0007906800000000, -0.0004713200000000, 0.0002235500000000 ] - [ 0.0000959200000000, 0.0047138800000000, 0.0045035200000000 ] - [ -0.0018424600000000, -0.0065524800000000, 0.0252844400000000 ] - [ -0.0002114200000000, -0.0000822900000000, 0.0001479500000000 ] - [ -0.0002472800000000, -0.0003042900000000, -0.0000640500000000 ] - [ 0.0007678500000000, 0.0001851500000000, 0.0001921400000000 ] - [ -0.0007141800000000, -0.0003022700000000, -0.0004493800000000 ] - [ -0.0003210900000000, -0.0001992200000000, 0.0008965700000000 ] - [ -0.0005734400000000, 0.0001494300000000, -0.0002772800000000 ] - [ 0.0003423600000000, -0.0001260700000000, -0.0002711700000000 ] - [ 0.0002448300000000, -0.0002976700000000, 0.0008791000000000 ] - [ 0.0005773900000000, -0.0003665100000000, -0.0004365100000000 ] - [ -0.0008374000000000, 0.0002734200000000, 0.0002067500000000 ] - [ 0.0000678600000000, -0.0005015100000000, -0.0000882500000000 ] - [ 0.0001177400000000, -0.0001423200000000, 0.0001717300000000 ] - [ 0.0000020300000000, 0.0001377000000000, 0.0001263100000000 ] - [ -0.0000635400000000, 0.0003683900000000, -0.0000920000000000 ] - [ 0.0008306200000000, -0.0003627900000000, 0.0001980500000000 ] - [ -0.0004787800000000, 0.0003870400000000, -0.0003986200000000 ] - [ 0.0000603900000000, 0.0005906400000000, 0.0010663200000000 ] - [ -0.0003278000000000, -0.0000477900000000, -0.0002639700000000 ] - [ 0.0004097300000000, -0.0001165600000000, -0.0002252100000000 ] - [ 0.0003569800000000, -0.0000996800000000, 0.0009375100000000 ] - [ 0.0005520400000000, 0.0000748000000000, -0.0003787400000000 ] - [ -0.0004846500000000, -0.0006293400000000, 0.0000632300000000 ] - [ 0.0001980700000000, 0.0000939900000000, -0.0000913000000000 ] - [ 0.0001050000000000, -0.0000788100000000, 0.0001109500000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0056652500000000, 0.0019589700000000, -0.0022433500000000 ] - [ 0.0002943600000000, -0.0000584300000000, -0.0004531600000000 ] - [ -0.0000260800000000, 0.0001480700000000, -0.0004456600000000 ] - [ 0.0001615900000000, 0.0000755800000000, -0.0004595000000000 ] - [ 0.0008430000000000, -0.0005762400000000, -0.0001192700000000 ] - [ -0.0003093500000000, 0.0007604500000000, -0.0006100400000000 ] - [ 0.0000180200000000, 0.0001823600000000, -0.0004632100000000 ] - [ -0.0001561800000000, 0.0003359200000000, -0.0004171900000000 ] - [ 0.0002415200000000, -0.0001838500000000, -0.0000028300000000 ] - [ -0.1097775100000000, -0.0934555100000000, 0.1163283600000000 ] - [ -0.0003644600000000, 0.0005821100000000, 0.0006789000000000 ] - [ -0.0020685700000000, -0.0037881800000000, 0.0007266700000000 ] - [ -0.0002088100000000, 0.0001304300000000, 0.0000090100000000 ] - [ 0.0002604600000000, -0.0001186500000000, 0.0002360400000000 ] - [ -0.0008158200000000, -0.0010569700000000, 0.0020725900000000 ] - [ -0.0020529500000000, -0.0043086100000000, 0.0021640100000000 ] - [ 0.0000300400000000, -0.0001344200000000, -0.0004728900000000 ] - [ 0.0006403900000000, 0.0006838800000000, 0.0008808500000000 ] - [ -0.0002055400000000, 0.0004343000000000, -0.0002627700000000 ] - [ -0.0001119500000000, -0.0005032100000000, 0.0013390900000000 ] - [ 0.0003890200000000, 0.0002429300000000, 0.0000759400000000 ] - [ 0.0002390100000000, -0.0005201100000000, -0.0002913300000000 ] - [ 0.0001609500000000, -0.0001730100000000, 0.0004377300000000 ] - [ -0.0000060000000000, 0.0000970800000000, -0.0004540700000000 ] - [ 0.0000564000000000, 0.0000140800000000, -0.0000077300000000 ] - [ 0.0004574000000000, 0.0003496900000000, 0.0003370600000000 ] - [ -0.0002166900000000, 0.0000922800000000, 0.0002159200000000 ] - [ 0.0005208900000000, -0.0000019900000000, -0.0000564000000000 ] - [ 0.0000780700000000, 0.0002601500000000, -0.0005912600000000 ] - [ 0.0000305800000000, -0.0001024600000000, 0.0003595400000000 ] - [ -0.0000918800000000, -0.0003020100000000, -0.0001771500000000 ] - [ -0.0002356200000000, 0.0001608500000000, 0.0001463800000000 ] - [ 0.0003342900000000, -0.0001039000000000, 0.0000503800000000 ] - [ 0.0002029900000000, 0.0003814200000000, -0.0002342000000000 ] - [ -0.0000292000000000, 0.0001852800000000, 0.0004176100000000 ] - [ -0.0000256600000000, -0.0001895800000000, -0.0005061800000000 ] - [ -0.0003393300000000, -0.0000385200000000, -0.0000499600000000 ] - [ 0.0002058200000000, -0.0001399500000000, 0.0001964300000000 ] - [ -0.0002884900000000, -0.0001836500000000, 0.0002533300000000 ] - [ 0.0002165700000000, -0.0000078000000000, -0.0000425000000000 ] - [ -0.0000327900000000, -0.0002246900000000, -0.0006158500000000 ] - [ -0.0000148300000000, 0.0001434600000000, 0.0003639900000000 ] - [ -0.0002053200000000, 0.0003193000000000, -0.0001916100000000 ] - [ -0.0003443800000000, -0.0001076300000000, 0.0000399000000000 ] - [ 0.0003179000000000, 0.0001551300000000, 0.0000833200000000 ] - [ 0.0001777200000000, -0.0002501600000000, -0.0001494000000000 ] - [ 0.0000330300000000, -0.0000712800000000, 0.0003016700000000 ] - [ -0.0000119500000000, 0.0003140200000000, -0.0006562000000000 ] - [ -0.0002276200000000, 0.0000406300000000, -0.0000395800000000 ] - [ 0.0003184000000000, 0.0002845000000000, 0.0002877100000000 ] - [ -0.0002962000000000, 0.0002900500000000, 0.0002854300000000 ] - [ 0.0002761600000000, 0.0000686600000000, -0.0000466100000000 ] - [ 0.0000275900000000, 0.0002834900000000, -0.0006106300000000 ] - [ 0.0000256900000000, -0.0001391900000000, 0.0003828400000000 ] - [ -0.0001742300000000, -0.0002870300000000, -0.0001723400000000 ] - [ -0.0003155000000000, 0.0001692400000000, 0.0000934600000000 ] - [ 0.0004046000000000, -0.0001269600000000, 0.0000065000000000 ] - [ 0.0002868600000000, 0.0003050400000000, -0.0001868700000000 ] - [ 0.0001040100000000, 0.0000806900000000, 0.0002837800000000 ] - [ 0.0000562600000000, -0.0002897000000000, -0.0006057800000000 ] - [ -0.0001238300000000, -0.0000618300000000, -0.0000337300000000 ] - [ 0.0003308800000000, -0.0002774200000000, 0.0002937000000000 ] - [ -0.0001589600000000, -0.0002230000000000, 0.0002351500000000 ] - [ 0.0006141000000000, -0.0000856900000000, -0.0000904800000000 ] - [ 0.0000227800000000, -0.0002825800000000, -0.0006162300000000 ] - [ 0.0000730900000000, -0.0000184700000000, 0.0002514100000000 ] - [ -0.0001778300000000, 0.0002742900000000, -0.0001635000000000 ] - [ -0.0001953300000000, -0.0001417200000000, 0.0001849100000000 ] - [ 0.0003549200000000, 0.0000734300000000, 0.0000367200000000 ] - [ 0.0002386500000000, -0.0002107100000000, -0.0001314100000000 ] - [ 0.0008023600000000, 0.0000433900000000, 0.0000037700000000 ] - [ 0.0000258500000000, 0.0003700600000000, -0.0006742300000000 ] - [ -0.0008626000000000, -0.0001817900000000, -0.0001430000000000 ] - [ 0.0010949300000000, -0.0012070100000000, 0.0004453300000000 ] - [ -0.0002688400000000, 0.0003945400000000, 0.0002856400000000 ] - [ 0.0007341300000000, 0.0002713200000000, -0.0001108700000000 ] - [ 0.0006919800000000, -0.0012338700000000, -0.0010700700000000 ] - [ -0.0001143200000000, -0.0000030700000000, 0.0001429300000000 ] - [ -0.0011232500000000, -0.0009463500000000, -0.0007275300000000 ] - [ -0.0001094700000000, 0.0018009500000000, 0.0011880800000000 ] - [ 0.0003591000000000, -0.0001245200000000, 0.0000350500000000 ] - [ 0.0002066100000000, 0.0003622100000000, -0.0002207800000000 ] - [ 0.0000262900000000, 0.0001258400000000, 0.0003505600000000 ] - [ -0.0000152100000000, -0.0002049600000000, -0.0005334000000000 ] - [ -0.0001527500000000, -0.0000074200000000, -0.0000375600000000 ] - [ 0.0003427400000000, -0.0002226600000000, 0.0002737200000000 ] - [ -0.0002753400000000, -0.0001861900000000, 0.0002516600000000 ] - [ 0.0002530200000000, -0.0000287900000000, -0.0000484900000000 ] - [ 0.0000506600000000, -0.0001861600000000, -0.0004930200000000 ] - [ 0.0000182300000000, 0.0001657900000000, 0.0004023500000000 ] - [ -0.0001777800000000, 0.0003913500000000, -0.0002357900000000 ] - [ -0.0003433900000000, -0.0001245500000000, 0.0000490900000000 ] - [ 0.0003366400000000, 0.0001837200000000, 0.0000835200000000 ] - [ 0.0001778600000000, -0.0002994600000000, -0.0001849300000000 ] - [ 0.0000277300000000, -0.0000728200000000, 0.0003092800000000 ] - [ -0.0000435200000000, 0.0002870000000000, -0.0005732800000000 ] - [ -0.0002434600000000, 0.0000819500000000, -0.0000473400000000 ] - [ 0.0003224400000000, 0.0003105400000000, 0.0002960900000000 ] - [ -0.0003535800000000, 0.0003171700000000, 0.0002970000000000 ] - [ 0.0002028600000000, 0.0000524400000000, -0.0000441800000000 ] - [ 0.0000202900000000, 0.0003134700000000, -0.0006476200000000 ] - [ -0.0000742500000000, 0.0000029900000000, 0.0002439500000000 ] - [ -0.0001729800000000, -0.0002522200000000, -0.0001498800000000 ] - [ -0.0003330000000000, 0.0001760500000000, 0.0000795200000000 ] - [ -0.0056298800000000, 0.0016849100000000, 0.0022323100000000 ] - [ 0.0002832800000000, -0.0021575200000000, -0.0012813800000000 ] - [ 0.0000634600000000, 0.0012928100000000, -0.0002674300000000 ] - [ 0.0012026200000000, 0.0004846700000000, -0.0000847700000000 ] - [ -0.0005642200000000, -0.0002231100000000, -0.0000858800000000 ] - [ 0.0004308200000000, -0.0003066400000000, -0.0000961300000000 ] - [ -0.0005741900000000, 0.0006386600000000, -0.0001091900000000 ] - [ 0.0005046700000000, 0.0008337200000000, -0.0001423800000000 ] - [ 0.0001197700000000, -0.0006770400000000, -0.0001552700000000 ] - [ 0.0013153300000000, -0.0001985300000000, -0.0001566000000000 ] - [ -0.0003470200000000, -0.0000830900000000, -0.0001187800000000 ] - [ 0.0007422700000000, 0.0003162300000000, -0.0090157500000000 ] - [ -0.0002754100000000, -0.0005189600000000, -0.0001231700000000 ] - [ 0.0003747700000000, -0.0005048400000000, -0.0001250700000000 ] - [ -0.0002848400000000, 0.0010730800000000, -0.0001751800000000 ] - [ 0.0003466200000000, 0.0009612500000000, -0.0001596600000000 ] - [ 0.0018880200000000, -0.0055061700000000, 0.0081958300000000 ] - [ 0.0003277000000000, -0.0018081100000000, 0.0016523700000000 ] - [ 0.0010129700000000, 0.0000397800000000, -0.0000709800000000 ] - [ 0.0021714200000000, 0.0029133800000000, 0.0026471700000000 ] - [ 0.1055582300000000, 0.1004961100000000, -0.1219054700000000 ] - [ 0.0000995000000000, -0.0002528000000000, -0.0003991500000000 ] - [ -0.0005464800000000, -0.0011808100000000, -0.0022321300000000 ] - [ 0.0002883300000000, -0.0003125500000000, 0.0008844500000000 ] - [ 0.0005312400000000, -0.0004435500000000, -0.0004359000000000 ] - [ -0.0006022900000000, 0.0027346100000000, -0.0010603100000000 ] - [ -0.0001805600000000, -0.0006436500000000, -0.0006171700000000 ] - [ 0.0000568900000000, -0.0002241600000000, 0.0001861000000000 ] - [ -0.0004315800000000, 0.0005478000000000, -0.0002268300000000 ] - [ -0.0001376000000000, 0.0007813100000000, 0.0002059200000000 ] - [ 0.0004544200000000, -0.0004885100000000, 0.0001633900000000 ] - [ -0.0008771900000000, 0.0005559600000000, -0.0005074500000000 ] - [ -0.0003495500000000, 0.0003179600000000, 0.0008921700000000 ] - [ -0.0008406600000000, 0.0000453900000000, -0.0003678600000000 ] - [ 0.0002829200000000, -0.0000377700000000, -0.0002656900000000 ] - [ -0.0001073600000000, 0.0002152700000000, 0.0009495400000000 ] - [ 0.0001948200000000, 0.0001562600000000, -0.0003564800000000 ] - [ -0.0010811800000000, -0.0002229300000000, 0.0001953300000000 ] - [ -0.0000220000000000, 0.0002983300000000, -0.0000945300000000 ] - [ -0.0001545600000000, 0.0000384000000000, 0.0001191500000000 ] - [ -0.0001059500000000, -0.0001312700000000, 0.0001828000000000 ] - [ -0.0000323100000000, -0.0005391700000000, -0.0000930900000000 ] - [ 0.0009128300000000, 0.0001371100000000, 0.0001819900000000 ] - [ -0.0005732100000000, -0.0003577600000000, -0.0004299800000000 ] - [ -0.0002693400000000, -0.0002344700000000, 0.0008874500000000 ] - [ -0.0003056000000000, -0.0002019100000000, -0.0002854000000000 ] - [ 0.0003739200000000, -0.0001206200000000, -0.0002621000000000 ] - [ 0.0005937000000000, 0.0001026500000000, 0.0009652400000000 ] - [ 0.0007267400000000, -0.0003088100000000, -0.0003931200000000 ] - [ -0.0007829800000000, 0.0001820600000000, 0.0001761400000000 ] - [ 0.0001365300000000, -0.0003971300000000, -0.0000891800000000 ] - [ 0.0001928900000000, -0.0000474600000000, 0.0001638900000000 ] - [ -0.0001080300000000, -0.0000573100000000, 0.0001261100000000 ] - [ -0.0001619800000000, 0.0001735800000000, -0.0000913400000000 ] - [ 0.0008126700000000, -0.0002966300000000, 0.0001750600000000 ] - [ -0.0005678800000000, 0.0001100300000000, -0.0003787100000000 ] - [ -0.0003873400000000, -0.0001234800000000, 0.0009370700000000 ] - [ -0.0003826000000000, -0.0000341300000000, -0.0002386200000000 ] - [ 0.0002567500000000, 0.0001541500000000, -0.0002387400000000 ] - [ 0.0002913600000000, 0.0000042700000000, 0.0009169400000000 ] - [ 0.0005146900000000, 0.0001696800000000, -0.0003918500000000 ] - [ -0.0008504700000000, -0.0003262500000000, 0.0001846800000000 ] - [ 0.0000578800000000, 0.0003261100000000, -0.0001087000000000 ] - [ 0.0000672700000000, 0.0000044700000000, 0.0001469000000000 ] - [ -0.0004370500000000, 0.0000109900000000, 0.0001466800000000 ] - [ -0.0003552100000000, -0.0002425600000000, -0.0000777400000000 ] - [ 0.0006569400000000, 0.0002651000000000, 0.0001793700000000 ] - [ -0.0010592200000000, -0.0001931400000000, -0.0004895400000000 ] - [ -0.0005818700000000, 0.0000794200000000, 0.0009060000000000 ] - [ -0.0005244500000000, -0.0000557000000000, -0.0002294600000000 ] - [ -0.0000010100000000, 0.0001376300000000, -0.0001716800000000 ] - [ 0.0002701500000000, -0.0000524900000000, 0.0009157600000000 ] - [ 0.0003404900000000, -0.0001032300000000, -0.0003216300000000 ] - [ -0.0012210100000000, 0.0002947200000000, 0.0002061900000000 ] - [ 0.0000988700000000, 0.0001013500000000, -0.0000928700000000 ] - [ 0.0000433100000000, 0.0001074600000000, 0.0000746200000000 ] - [ -0.0004694500000000, -0.0001199900000000, 0.0001326900000000 ] - [ -0.0007511200000000, 0.0000138800000000, 0.0001477900000000 ] - [ 0.0011145000000000, 0.0000967000000000, 0.0002204800000000 ] - [ -0.0008344500000000, 0.0000595400000000, -0.0003700700000000 ] - [ -0.0004368800000000, -0.0002431600000000, 0.0009311600000000 ] - [ -0.0019429400000000, 0.0007637800000000, -0.0008587800000000 ] - [ 0.0005233800000000, -0.0000793100000000, -0.0001418500000000 ] - [ 0.0003922800000000, 0.0012088800000000, 0.0016132100000000 ] - [ 0.0017777600000000, 0.0025235200000000, -0.0010930400000000 ] - [ -0.0010264100000000, -0.0010854500000000, -0.0002309200000000 ] - [ 0.0012837300000000, -0.0003886200000000, -0.0000006300000000 ] - [ 0.0017041700000000, -0.0008228200000000, 0.0007698800000000 ] - [ -0.0001451500000000, -0.0000920900000000, 0.0001623000000000 ] - [ -0.0001242600000000, -0.0004089500000000, -0.0000782800000000 ] - [ 0.0007065400000000, 0.0002270500000000, 0.0001771700000000 ] - [ -0.0006205500000000, -0.0003187200000000, -0.0004240200000000 ] - [ -0.0003204800000000, -0.0001621400000000, 0.0009021600000000 ] - [ -0.0004120300000000, -0.0000338200000000, -0.0002793700000000 ] - [ 0.0003217700000000, -0.0001224000000000, -0.0002822900000000 ] - [ 0.0001422900000000, -0.0002986800000000, 0.0008790800000000 ] - [ 0.0004867600000000, -0.0003472500000000, -0.0004252200000000 ] - [ -0.0008064600000000, 0.0002128800000000, 0.0001837700000000 ] - [ 0.0000255200000000, -0.0005147800000000, -0.0000882000000000 ] - [ 0.0000587300000000, -0.0001475600000000, 0.0001679200000000 ] - [ -0.0000723700000000, -0.0000038300000000, 0.0001333700000000 ] - [ -0.0001332700000000, 0.0002151900000000, -0.0000871400000000 ] - [ 0.0007916700000000, -0.0003660500000000, 0.0001896700000000 ] - [ -0.0004901700000000, 0.0001519200000000, -0.0004019800000000 ] - [ -0.0001879600000000, 0.0001180900000000, 0.0008744000000000 ] - [ -0.0003768100000000, -0.0000580400000000, -0.0002478500000000 ] - [ 0.0003707500000000, -0.0002105400000000, -0.0001785400000000 ] - [ 0.0003140700000000, -0.0000691100000000, 0.0009291900000000 ] - [ 0.0005349800000000, 0.0000758100000000, -0.0003711200000000 ] - [ -0.0007586600000000, -0.0003481600000000, 0.0001848000000000 ] - [ 0.0002388100000000, -0.0000170900000000, -0.0000941100000000 ] - [ 0.0001083900000000, -0.0000827500000000, 0.0000970400000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0055837700000000, -0.0019004800000000, 0.0013105600000000 ] - [ -0.0002930500000000, 0.0000565500000000, -0.0004572800000000 ] - [ 0.0000258100000000, -0.0001512600000000, -0.0004649700000000 ] - [ -0.0001626600000000, -0.0000763900000000, -0.0004502700000000 ] - [ -0.0008444100000000, 0.0005827500000000, -0.0007962100000000 ] - [ 0.0003071200000000, -0.0007616300000000, -0.0003006600000000 ] - [ -0.0000178600000000, -0.0001840600000000, -0.0004468800000000 ] - [ 0.0001572100000000, -0.0003412000000000, -0.0004941900000000 ] - [ 0.0004295900000000, -0.0001039000000000, 0.0001322600000000 ] - [ 0.1107094900000000, 0.0904643100000000, -0.1126347800000000 ] - [ 0.0003882300000000, -0.0003557600000000, 0.0000163200000000 ] - [ 0.0020000100000000, 0.0032500100000000, -0.0017321300000000 ] - [ -0.0002701900000000, -0.0002105000000000, -0.0000988900000000 ] - [ 0.0003408900000000, -0.0003646200000000, 0.0003088300000000 ] - [ 0.0001993400000000, 0.0005813700000000, -0.0015209300000000 ] - [ 0.0024972400000000, 0.0042032200000000, -0.0022464200000000 ] - [ 0.0000135200000000, -0.0003610300000000, -0.0006757600000000 ] - [ -0.0006602700000000, -0.0004555900000000, -0.0001835600000000 ] - [ -0.0001740500000000, 0.0002078400000000, -0.0001268700000000 ] - [ -0.0005503400000000, 0.0002133800000000, -0.0011878900000000 ] - [ 0.0002788900000000, 0.0000457600000000, 0.0000564900000000 ] - [ 0.0001406800000000, -0.0001241800000000, -0.0000989700000000 ] - [ -0.0001336600000000, -0.0000522500000000, 0.0002528600000000 ] - [ -0.0000374500000000, 0.0003964300000000, -0.0006935600000000 ] - [ -0.0005348400000000, 0.0000663400000000, -0.0000819700000000 ] - [ 0.0001441300000000, 0.0001352800000000, 0.0002082500000000 ] - [ -0.0003841600000000, 0.0003897600000000, 0.0003289600000000 ] - [ -0.0000415200000000, 0.0000815900000000, -0.0000333100000000 ] - [ -0.0000348400000000, 0.0002363200000000, -0.0005583200000000 ] - [ -0.0000576100000000, -0.0001251900000000, 0.0003320400000000 ] - [ -0.0002871100000000, -0.0003390500000000, -0.0002117600000000 ] - [ -0.0004332900000000, 0.0001275300000000, -0.0000151700000000 ] - [ 0.0003348800000000, -0.0001846000000000, 0.0000809600000000 ] - [ 0.0001757700000000, 0.0002602500000000, -0.0001550000000000 ] - [ 0.0000561600000000, 0.0000417000000000, 0.0002734500000000 ] - [ -0.0000183500000000, -0.0003058600000000, -0.0006426200000000 ] - [ -0.0001369900000000, -0.0000416200000000, -0.0000394700000000 ] - [ 0.0003963100000000, -0.0003443800000000, 0.0003494400000000 ] - [ -0.0003134300000000, -0.0003001900000000, 0.0002919300000000 ] - [ 0.0002599700000000, -0.0000722700000000, -0.0000472100000000 ] - [ 0.0000766100000000, -0.0002712600000000, -0.0005334500000000 ] - [ -0.0000114900000000, 0.0000843300000000, 0.0003282400000000 ] - [ -0.0001731600000000, 0.0003219500000000, -0.0001974600000000 ] - [ -0.0003251200000000, -0.0001805800000000, 0.0000905900000000 ] - [ 0.0003519100000000, 0.0001322800000000, 0.0000466800000000 ] - [ 0.0002017800000000, -0.0003939100000000, -0.0002415900000000 ] - [ -0.0000072900000000, -0.0001579200000000, 0.0003918800000000 ] - [ -0.0000320100000000, 0.0001794500000000, -0.0004897400000000 ] - [ -0.0002482200000000, 0.0000387800000000, -0.0000499000000000 ] - [ 0.0002827600000000, 0.0001971500000000, 0.0002567800000000 ] - [ -0.0003049900000000, 0.0001912500000000, 0.0002587800000000 ] - [ 0.0002000200000000, 0.0000105400000000, -0.0000430200000000 ] - [ 0.0000164700000000, 0.0002103800000000, -0.0005365700000000 ] - [ -0.0000506100000000, -0.0000903900000000, 0.0003117800000000 ] - [ -0.0002047500000000, -0.0003561000000000, -0.0002178200000000 ] - [ -0.0003544600000000, 0.0001179200000000, 0.0000362100000000 ] - [ 0.0002652200000000, -0.0001599800000000, 0.0001231400000000 ] - [ 0.0000930900000000, 0.0003392300000000, -0.0002043400000000 ] - [ -0.0000781100000000, 0.0001478100000000, 0.0004096000000000 ] - [ -0.0000999300000000, -0.0002030900000000, -0.0005399400000000 ] - [ -0.0003524200000000, -0.0000174200000000, -0.0000557900000000 ] - [ 0.0002704600000000, -0.0002046600000000, 0.0002508900000000 ] - [ -0.0004418200000000, -0.0002576000000000, 0.0003088500000000 ] - [ -0.0001370000000000, 0.0000062200000000, 0.0000005700000000 ] - [ 0.0000212900000000, -0.0002115700000000, -0.0005310800000000 ] - [ -0.0000992800000000, 0.0002485500000000, 0.0004426700000000 ] - [ -0.0002013600000000, 0.0003688400000000, -0.0002268200000000 ] - [ -0.0004743900000000, -0.0001465000000000, -0.0000549500000000 ] - [ 0.0003152900000000, 0.0002144100000000, 0.0000930100000000 ] - [ 0.0001402500000000, -0.0004318500000000, -0.0002583300000000 ] - [ -0.0007849800000000, -0.0002726200000000, 0.0006913200000000 ] - [ -0.0000700000000000, 0.0001248100000000, -0.0004741500000000 ] - [ 0.0003905700000000, 0.0002617800000000, 0.0000539800000000 ] - [ -0.0004976300000000, 0.0017062700000000, 0.0000969300000000 ] - [ -0.0003329300000000, 0.0000887600000000, 0.0002595000000000 ] - [ -0.0002566700000000, -0.0001941500000000, 0.0000207500000000 ] - [ -0.0006417800000000, 0.0017382400000000, -0.0000743700000000 ] - [ 0.0000890400000000, -0.0002262300000000, 0.0005518000000000 ] - [ 0.0007504500000000, 0.0003053800000000, 0.0003375500000000 ] - [ -0.0005550400000000, -0.0015225300000000, -0.0010705900000000 ] - [ 0.0003103900000000, -0.0001638500000000, 0.0000959900000000 ] - [ 0.0001723300000000, 0.0002797100000000, -0.0001685500000000 ] - [ 0.0000002700000000, 0.0001019900000000, 0.0003412500000000 ] - [ -0.0000287000000000, -0.0002903200000000, -0.0006152700000000 ] - [ -0.0003224500000000, -0.0000724400000000, -0.0000517300000000 ] - [ 0.0002595300000000, -0.0002615500000000, 0.0002719200000000 ] - [ -0.0003263200000000, -0.0002973400000000, 0.0002934300000000 ] - [ 0.0002237700000000, -0.0000511600000000, -0.0000412400000000 ] - [ -0.0000064700000000, -0.0003096200000000, -0.0006564900000000 ] - [ -0.0000444100000000, 0.0000622200000000, 0.0002899200000000 ] - [ -0.0002004500000000, 0.0002500800000000, -0.0001529800000000 ] - [ -0.0003259800000000, -0.0001635600000000, 0.0000813800000000 ] - [ 0.0003329100000000, 0.0001040700000000, 0.0000468900000000 ] - [ 0.0002018700000000, -0.0003443000000000, -0.0002058600000000 ] - [ -0.0000017800000000, -0.0001562100000000, 0.0003839400000000 ] - [ -0.0000000200000000, 0.0002063100000000, -0.0005734600000000 ] - [ -0.0002326300000000, -0.0000024900000000, -0.0000421600000000 ] - [ 0.0002786600000000, 0.0001710400000000, 0.0002482900000000 ] - [ -0.0002466300000000, 0.0001631500000000, 0.0002468100000000 ] - [ 0.0002746400000000, 0.0000268900000000, -0.0000457000000000 ] - [ 0.0000236900000000, 0.0001802900000000, -0.0004992900000000 ] - [ 0.0000484800000000, -0.0002321900000000, 0.0004499300000000 ] - [ -0.0002062200000000, -0.0003909600000000, -0.0002403700000000 ] - [ -0.0003369200000000, 0.0001109200000000, 0.0000500400000000 ] - [ 0.0048384800000000, -0.0030351700000000, -0.0024849300000000 ] - [ 0.0005501800000000, 0.0008641500000000, 0.0010042600000000 ] - [ -0.0009018100000000, -0.0000075400000000, 0.0000047100000000 ] - [ -0.0003627800000000, 0.0008062100000000, -0.0001784300000000 ] - [ -0.0002720900000000, -0.0010689400000000, -0.0001771300000000 ] - [ 0.0004033300000000, -0.0009881600000000, -0.0001669000000000 ] - [ -0.0002608300000000, 0.0006459300000000, -0.0001527400000000 ] - [ 0.0003306300000000, 0.0004514900000000, -0.0001198300000000 ] - [ -0.0009549200000000, -0.0006069400000000, -0.0001063500000000 ] - [ -0.0004784400000000, -0.0010967400000000, -0.0001048500000000 ] - [ -0.0004815000000000, 0.0013742900000000, -0.0001450400000000 ] - [ 0.0000620500000000, 0.0009843200000000, 0.0088352800000000 ] - [ -0.0005585800000000, -0.0007725700000000, -0.0001396600000000 ] - [ 0.0004622000000000, -0.0007874800000000, -0.0001379600000000 ] - [ -0.0005508000000000, 0.0002139900000000, -0.0000866400000000 ] - [ 0.0004887200000000, 0.0003222500000000, -0.0001024600000000 ] - [ -0.0021489000000000, 0.0055700300000000, -0.0080371700000000 ] - [ -0.0005404800000000, 0.0011287800000000, -0.0018440700000000 ] - [ 0.0005936400000000, 0.0004931600000000, 0.0004491100000000 ] - [ -0.0033003400000000, -0.0033977500000000, -0.0034940600000000 ] - [ -0.1066745000000000, -0.0971059400000000, 0.1196104400000000 ] - [ -0.0008286100000000, 0.0001742600000000, -0.0001098900000000 ] - [ 0.0012823700000000, 0.0010832900000000, 0.0017072100000000 ] - [ 0.0003136500000000, 0.0001364200000000, 0.0009315700000000 ] - [ 0.0005923600000000, -0.0000127700000000, -0.0003757900000000 ] - [ -0.0010166800000000, -0.0021766700000000, 0.0014210700000000 ] - [ 0.0004220500000000, -0.0000140100000000, 0.0004252700000000 ] - [ 0.0001589000000000, 0.0001472600000000, 0.0001024500000000 ] - [ 0.0002124300000000, -0.0004655000000000, 0.0005112800000000 ] - [ -0.0000888100000000, -0.0001205500000000, -0.0003847200000000 ] - [ 0.0011544700000000, -0.0000482200000000, 0.0002112000000000 ] - [ -0.0002460400000000, -0.0000963100000000, -0.0003028400000000 ] - [ -0.0002524900000000, -0.0001375200000000, 0.0009229700000000 ] - [ 0.0001077500000000, 0.0000305900000000, -0.0001400900000000 ] - [ 0.0004474300000000, 0.0001193100000000, -0.0002402800000000 ] - [ 0.0007051700000000, -0.0000402700000000, 0.0008675700000000 ] - [ 0.0009329100000000, 0.0002989600000000, -0.0004563700000000 ] - [ -0.0005271100000000, -0.0003101600000000, 0.0001790300000000 ] - [ 0.0002474900000000, 0.0003667800000000, -0.0000905700000000 ] - [ 0.0003692500000000, 0.0000370000000000, 0.0001723700000000 ] - [ -0.0001082100000000, 0.0000553900000000, 0.0001085600000000 ] - [ -0.0001930300000000, -0.0001234000000000, -0.0000925900000000 ] - [ 0.0006941900000000, 0.0003963400000000, 0.0001921300000000 ] - [ -0.0005504600000000, -0.0000977600000000, -0.0003812300000000 ] - [ -0.0003313500000000, 0.0000583500000000, 0.0009279100000000 ] - [ -0.0004250500000000, 0.0001217400000000, -0.0002211300000000 ] - [ 0.0003568900000000, 0.0000400100000000, -0.0002451200000000 ] - [ 0.0000078700000000, -0.0002785900000000, 0.0008500500000000 ] - [ 0.0003954000000000, -0.0001470000000000, -0.0004176700000000 ] - [ -0.0008225600000000, 0.0003517200000000, 0.0001982200000000 ] - [ 0.0000879900000000, -0.0002685800000000, -0.0000955300000000 ] - [ 0.0000214500000000, -0.0000289300000000, 0.0001281600000000 ] - [ -0.0001055900000000, 0.0001370900000000, 0.0001665100000000 ] - [ -0.0000599300000000, 0.0004989600000000, -0.0000923900000000 ] - [ 0.0007928300000000, -0.0002326600000000, 0.0001983800000000 ] - [ -0.0005566600000000, 0.0003514400000000, -0.0004333800000000 ] - [ -0.0002138800000000, 0.0003059200000000, 0.0008779100000000 ] - [ -0.0003475700000000, 0.0001175400000000, -0.0002684900000000 ] - [ 0.0004731500000000, -0.0000712100000000, -0.0002703300000000 ] - [ 0.0003103800000000, 0.0001749000000000, 0.0008978900000000 ] - [ 0.0006106100000000, 0.0002905800000000, -0.0004207000000000 ] - [ -0.0007562200000000, -0.0002037000000000, 0.0001902100000000 ] - [ 0.0001643800000000, 0.0003464300000000, -0.0000771100000000 ] - [ 0.0001475400000000, 0.0000745800000000, 0.0001449400000000 ] - [ 0.0002210300000000, -0.0000900800000000, 0.0001467300000000 ] - [ 0.0001314500000000, -0.0004269400000000, -0.0001074200000000 ] - [ 0.0009495900000000, 0.0002645300000000, 0.0001945600000000 ] - [ -0.0000685100000000, -0.0002683800000000, -0.0003234800000000 ] - [ -0.0000205100000000, -0.0002603400000000, 0.0009086800000000 ] - [ -0.0002069600000000, -0.0000249700000000, -0.0002793200000000 ] - [ 0.0007322700000000, -0.0002221300000000, -0.0003357700000000 ] - [ 0.0003313200000000, -0.0001269100000000, 0.0008998200000000 ] - [ 0.0007810400000000, -0.0003552200000000, -0.0004899700000000 ] - [ -0.0003848300000000, 0.0002359800000000, 0.0001676900000000 ] - [ 0.0001234900000000, -0.0007725700000000, -0.0000917600000000 ] - [ 0.0001698800000000, -0.0001856500000000, 0.0002179300000000 ] - [ 0.0002548400000000, 0.0001983500000000, 0.0001600500000000 ] - [ 0.0005312200000000, 0.0006537500000000, -0.0003353100000000 ] - [ 0.0004882100000000, -0.0006309100000000, 0.0001535900000000 ] - [ -0.0002924500000000, 0.0003987900000000, -0.0004423300000000 ] - [ -0.0001650000000000, 0.0004217700000000, 0.0008840400000000 ] - [ 0.0012258200000000, -0.0006919700000000, 0.0003635900000000 ] - [ 0.0002052600000000, 0.0001628500000000, -0.0003662000000000 ] - [ 0.0001989000000000, -0.0010374300000000, 0.0002011400000000 ] - [ -0.0006788700000000, -0.0020679400000000, 0.0002838400000000 ] - [ -0.0005815000000000, 0.0005533600000000, 0.0006125700000000 ] - [ -0.0010704500000000, 0.0010651600000000, -0.0001867600000000 ] - [ -0.0014975700000000, 0.0008939200000000, -0.0004790500000000 ] - [ -0.0000697100000000, 0.0000154700000000, 0.0001311400000000 ] - [ -0.0001008600000000, -0.0002541300000000, -0.0001075100000000 ] - [ 0.0008990800000000, 0.0003058300000000, 0.0001969100000000 ] - [ -0.0005030800000000, -0.0001380800000000, -0.0003871300000000 ] - [ -0.0002808800000000, -0.0000140900000000, 0.0009140400000000 ] - [ -0.0003179400000000, -0.0000472400000000, -0.0002275000000000 ] - [ 0.0004079500000000, 0.0000432800000000, -0.0002262200000000 ] - [ 0.0004573800000000, 0.0001219300000000, 0.0009367000000000 ] - [ 0.0006340900000000, -0.0001085600000000, -0.0003842300000000 ] - [ -0.0007994400000000, 0.0003193500000000, 0.0001894700000000 ] - [ 0.0001990800000000, -0.0001513500000000, -0.0000967200000000 ] - [ 0.0001552400000000, 0.0000711300000000, 0.0001231700000000 ] - [ -0.0001433900000000, 0.0000827200000000, 0.0001609000000000 ] - [ -0.0000897500000000, 0.0004544700000000, -0.0000975900000000 ] - [ 0.0008135800000000, -0.0001649400000000, 0.0001826200000000 ] - [ -0.0006370000000000, 0.0003096700000000, -0.0004102300000000 ] - [ -0.0004151200000000, 0.0000614200000000, 0.0009415600000000 ] - [ -0.0003536200000000, 0.0001407400000000, -0.0002607800000000 ] - [ 0.0003604000000000, 0.0002915700000000, -0.0003305500000000 ] - [ 0.0002875300000000, 0.0002499000000000, 0.0008858700000000 ] - [ 0.0005907800000000, 0.0003852800000000, -0.0004412300000000 ] - [ -0.0008480000000000, -0.0001813900000000, 0.0001887800000000 ] - [ -0.0000160000000000, 0.0006882700000000, -0.0000915800000000 ] - [ 0.0001073100000000, 0.0001622300000000, 0.0001954000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032381200000000, -0.0018437900000000, -0.0000782000000000 ] - [ 0.0000287900000000, 0.0000155200000000, -0.0003928900000000 ] - [ -0.0000537600000000, 0.0005782700000000, -0.0004549400000000 ] - [ 0.0000867800000000, 0.0002854200000000, -0.0004957800000000 ] - [ -0.0001521400000000, -0.0013165700000000, -0.0006384200000000 ] - [ 0.0000045400000000, 0.0017236100000000, -0.0005897600000000 ] - [ 0.0000260000000000, 0.0005622400000000, -0.0004492300000000 ] - [ -0.0000505600000000, 0.0009211600000000, -0.0003635800000000 ] - [ 0.0004061900000000, 0.0000899700000000, -0.0000960000000000 ] - [ -0.0941920600000000, -0.1289842700000000, 0.1141650500000000 ] - [ -0.0004491600000000, 0.0010028700000000, 0.0008440800000000 ] - [ -0.0086980300000000, -0.0147107500000000, 0.0072614300000000 ] - [ 0.0000717600000000, 0.0001227600000000, 0.0000224500000000 ] - [ 0.0002535300000000, 0.0000022400000000, 0.0001947900000000 ] - [ -0.0006312500000000, -0.0026809900000000, 0.0011435400000000 ] - [ -0.0054892300000000, 0.0025148600000000, -0.0005095400000000 ] - [ 0.0000493800000000, -0.0000259100000000, -0.0003421000000000 ] - [ 0.0002328700000000, 0.0008785300000000, 0.0004574800000000 ] - [ -0.0001881600000000, 0.0005026200000000, -0.0003073100000000 ] - [ -0.0005857900000000, 0.0001462400000000, -0.0005466600000000 ] - [ 0.0004662800000000, 0.0001754500000000, -0.0000127500000000 ] - [ 0.0000791200000000, -0.0002810100000000, -0.0001807300000000 ] - [ -0.0000984400000000, -0.0005449900000000, 0.0006687600000000 ] - [ -0.0001040500000000, 0.0002666900000000, -0.0005727600000000 ] - [ 0.0000859500000000, -0.0000385000000000, -0.0000138700000000 ] - [ 0.0003593000000000, 0.0000542200000000, 0.0002354400000000 ] - [ -0.0003774300000000, 0.0002925600000000, 0.0002927600000000 ] - [ -0.0000636100000000, -0.0000590600000000, -0.0000077300000000 ] - [ 0.0000479900000000, 0.0000652300000000, -0.0004069800000000 ] - [ 0.0000178700000000, -0.0000825600000000, 0.0003426900000000 ] - [ -0.0001727500000000, -0.0004777200000000, -0.0002875500000000 ] - [ -0.0003487900000000, 0.0000211600000000, -0.0000073700000000 ] - [ 0.0003869100000000, -0.0000060100000000, -0.0000348700000000 ] - [ 0.0002500900000000, 0.0005165100000000, -0.0003242800000000 ] - [ -0.0000571700000000, 0.0003032300000000, 0.0005128600000000 ] - [ -0.0000173700000000, -0.0000551400000000, -0.0003610100000000 ] - [ -0.0003458700000000, 0.0000439000000000, -0.0000502600000000 ] - [ 0.0000578900000000, 0.0001576800000000, 0.0000709100000000 ] - [ -0.0002316800000000, -0.0000321900000000, 0.0001997900000000 ] - [ 0.0002328700000000, 0.0000491000000000, -0.0000458500000000 ] - [ -0.0000484900000000, -0.0000193900000000, -0.0004332600000000 ] - [ 0.0000304400000000, 0.0002603800000000, 0.0004753700000000 ] - [ -0.0003024700000000, 0.0005028200000000, -0.0003042800000000 ] - [ -0.0003601100000000, -0.0000443200000000, -0.0000029200000000 ] - [ 0.0002674900000000, 0.0002459900000000, 0.0001648900000000 ] - [ 0.0001685800000000, -0.0001524900000000, -0.0000910100000000 ] - [ 0.0000682400000000, 0.0000269600000000, 0.0002110700000000 ] - [ -0.0000027000000000, 0.0003996000000000, -0.0007549000000000 ] - [ -0.0003023700000000, 0.0000895100000000, -0.0000466600000000 ] - [ 0.0003460200000000, 0.0004032900000000, 0.0003251400000000 ] - [ -0.0003107700000000, 0.0003721900000000, 0.0003127300000000 ] - [ 0.0002912400000000, 0.0001098700000000, -0.0000471000000000 ] - [ 0.0000238900000000, 0.0003897500000000, -0.0007200300000000 ] - [ -0.0000498200000000, -0.0000591700000000, 0.0002778700000000 ] - [ -0.0001553700000000, -0.0001862000000000, -0.0001091800000000 ] - [ -0.0003043200000000, 0.0002254600000000, 0.0001291700000000 ] - [ 0.0003464900000000, -0.0001819000000000, 0.0000695100000000 ] - [ 0.0001731400000000, 0.0000811600000000, -0.0000555100000000 ] - [ 0.0000743000000000, 0.0000578600000000, 0.0002702300000000 ] - [ 0.0000111000000000, -0.0005135900000000, -0.0008235400000000 ] - [ -0.0003958200000000, -0.0000703000000000, -0.0000821800000000 ] - [ 0.0002288700000000, -0.0001037700000000, 0.0002125800000000 ] - [ -0.0003630600000000, -0.0005503400000000, 0.0003748000000000 ] - [ 0.0004694700000000, -0.0001259600000000, -0.0000648700000000 ] - [ -0.0000082200000000, -0.0001323200000000, -0.0004397700000000 ] - [ -0.0001609100000000, -0.0001161500000000, 0.0001309100000000 ] - [ -0.0002606000000000, 0.0004320500000000, -0.0002757300000000 ] - [ -0.0001164400000000, -0.0003629100000000, 0.0003136000000000 ] - [ 0.0002366500000000, 0.0001850200000000, 0.0000796400000000 ] - [ 0.0003858400000000, -0.0002822300000000, -0.0001956400000000 ] - [ 0.0000046200000000, -0.0007443800000000, 0.0009408300000000 ] - [ 0.0000935400000000, 0.0003907700000000, -0.0006521300000000 ] - [ -0.0008873700000000, 0.0000483100000000, -0.0002169700000000 ] - [ -0.0012271300000000, -0.0003866400000000, -0.0002046000000000 ] - [ -0.0001012600000000, 0.0004186200000000, 0.0002264100000000 ] - [ 0.0016711900000000, 0.0000560300000000, -0.0002056000000000 ] - [ -0.0012642800000000, -0.0002403300000000, 0.0013446500000000 ] - [ -0.0001992900000000, 0.0001576900000000, 0.0000048500000000 ] - [ -0.0008100600000000, -0.0006108200000000, -0.0008432800000000 ] - [ 0.0011691200000000, 0.0021237100000000, 0.0023892200000000 ] - [ 0.0003574100000000, -0.0000801000000000, 0.0000174800000000 ] - [ 0.0002308000000000, 0.0004676200000000, -0.0002879000000000 ] - [ -0.0000289700000000, 0.0002152500000000, 0.0004479200000000 ] - [ -0.0000158600000000, -0.0000979900000000, -0.0004220000000000 ] - [ -0.0001423000000000, 0.0000107600000000, -0.0000311000000000 ] - [ 0.0003486900000000, -0.0001985200000000, 0.0002649500000000 ] - [ -0.0002419200000000, -0.0000685400000000, 0.0002130700000000 ] - [ 0.0002206000000000, 0.0000186000000000, -0.0000450900000000 ] - [ 0.0000701700000000, -0.0001584600000000, -0.0004935300000000 ] - [ 0.0000535300000000, 0.0002505900000000, 0.0004828900000000 ] - [ -0.0001426800000000, 0.0004301400000000, -0.0002355800000000 ] - [ -0.0003763800000000, -0.0000487400000000, -0.0000107000000000 ] - [ 0.0003431400000000, 0.0002258900000000, 0.0001017000000000 ] - [ 0.0001188200000000, -0.0001517000000000, -0.0000795200000000 ] - [ 0.0000728700000000, 0.0000330400000000, 0.0002064300000000 ] - [ -0.0000570400000000, 0.0004324500000000, -0.0007461900000000 ] - [ -0.0001848700000000, 0.0001365900000000, -0.0000376800000000 ] - [ 0.0003844600000000, 0.0004601800000000, 0.0003516600000000 ] - [ -0.0004163800000000, 0.0004871200000000, 0.0003599300000000 ] - [ 0.0002120600000000, 0.0001151500000000, -0.0000413000000000 ] - [ 0.0000320800000000, 0.0004462500000000, -0.0007927400000000 ] - [ -0.0000651100000000, 0.0001281500000000, 0.0001509800000000 ] - [ -0.0001207000000000, -0.0001118400000000, -0.0000586000000000 ] - [ -0.0002991600000000, 0.0002557700000000, 0.0001440100000000 ] - [ 0.0002368300000000, 0.0084080600000000, -0.0023697400000000 ] - [ -0.0014498500000000, -0.0020990500000000, 0.0001375500000000 ] - [ 0.0003518700000000, 0.0011791000000000, -0.0002977800000000 ] - [ 0.0004138700000000, -0.0003880700000000, -0.0000269100000000 ] - [ -0.0004541500000000, 0.0005646800000000, -0.0000252900000000 ] - [ 0.0004812800000000, 0.0002610900000000, -0.0000458300000000 ] - [ -0.0008164100000000, 0.0013688800000000, -0.0001549400000000 ] - [ 0.0004996600000000, 0.0013295100000000, -0.0001907100000000 ] - [ -0.0003528700000000, -0.0011230400000000, -0.0001450300000000 ] - [ 0.0018597500000000, -0.0017599400000000, -0.0001877400000000 ] - [ -0.0019176400000000, 0.0009849400000000, 0.0001431500000000 ] - [ 0.0008346800000000, -0.0024010600000000, -0.0149466300000000 ] - [ -0.0003372300000000, -0.0001079900000000, -0.0000923500000000 ] - [ 0.0002740500000000, 0.0001101200000000, -0.0000796000000000 ] - [ -0.0001191800000000, 0.0015054500000000, -0.0002206500000000 ] - [ 0.0004157100000000, 0.0016442900000000, -0.0002231900000000 ] - [ -0.0051564100000000, -0.0027431900000000, 0.0152446500000000 ] - [ 0.0004639100000000, -0.0026906700000000, 0.0025368700000000 ] - [ 0.0005686600000000, -0.0002618900000000, 0.0001627200000000 ] - [ 0.0037793500000000, 0.0059679300000000, 0.0044965500000000 ] - [ 0.1059695800000000, 0.1356344000000000, -0.1290265500000000 ] - [ 0.0001778500000000, -0.0009181500000000, -0.0004937900000000 ] - [ -0.0009325700000000, 0.0001756100000000, -0.0018626200000000 ] - [ 0.0001950000000000, -0.0005886300000000, 0.0008359600000000 ] - [ 0.0001450800000000, -0.0007493100000000, -0.0002686700000000 ] - [ 0.0015465100000000, 0.0009458600000000, -0.0002288900000000 ] - [ -0.0005310400000000, -0.0009302500000000, -0.0002789800000000 ] - [ -0.0001317700000000, -0.0002925300000000, 0.0002819600000000 ] - [ 0.0004255400000000, 0.0002158300000000, 0.0005472600000000 ] - [ 0.0001415200000000, 0.0020590100000000, 0.0000129000000000 ] - [ 0.0003694100000000, -0.0002559700000000, 0.0001528300000000 ] - [ -0.0001448200000000, 0.0004308200000000, -0.0004489500000000 ] - [ -0.0001556400000000, 0.0000178800000000, 0.0009064900000000 ] - [ -0.0006137400000000, 0.0007338100000000, -0.0006013900000000 ] - [ 0.0002987400000000, -0.0001163500000000, -0.0002686200000000 ] - [ -0.0000580000000000, 0.0006533000000000, 0.0009263000000000 ] - [ 0.0003552300000000, 0.0005014700000000, -0.0003875900000000 ] - [ -0.0006186200000000, -0.0000723900000000, 0.0001521500000000 ] - [ 0.0000289300000000, 0.0003906200000000, -0.0000917900000000 ] - [ -0.0000382900000000, 0.0002025000000000, 0.0001503700000000 ] - [ -0.0001708100000000, -0.0003292800000000, 0.0002376800000000 ] - [ 0.0000483700000000, -0.0009444400000000, -0.0000867300000000 ] - [ 0.0008861900000000, -0.0001296400000000, 0.0001779100000000 ] - [ -0.0006905700000000, -0.0006288500000000, -0.0004959900000000 ] - [ -0.0002712600000000, -0.0005569600000000, 0.0008502000000000 ] - [ -0.0003331300000000, -0.0004229800000000, -0.0003280500000000 ] - [ 0.0003350900000000, -0.0003571900000000, -0.0002980700000000 ] - [ 0.0006798400000000, -0.0003070600000000, 0.0009426500000000 ] - [ 0.0009183800000000, -0.0007188300000000, -0.0004450600000000 ] - [ -0.0007965000000000, 0.0000195000000000, 0.0001865100000000 ] - [ 0.0000604800000000, -0.0008121300000000, -0.0000879400000000 ] - [ 0.0003026200000000, -0.0002853300000000, 0.0002236200000000 ] - [ -0.0000911000000000, -0.0002089100000000, 0.0000764700000000 ] - [ -0.0002526400000000, -0.0001320600000000, -0.0001020200000000 ] - [ 0.0008987000000000, -0.0004901400000000, 0.0001974300000000 ] - [ -0.0005278000000000, -0.0000904500000000, -0.0003416800000000 ] - [ -0.0004279900000000, -0.0003099000000000, 0.0009686300000000 ] - [ -0.0004107800000000, -0.0002162500000000, -0.0001902900000000 ] - [ 0.0004619600000000, -0.0000359200000000, -0.0002290700000000 ] - [ 0.0003212200000000, -0.0002283400000000, 0.0009451200000000 ] - [ 0.0005388700000000, -0.0000460800000000, -0.0003821600000000 ] - [ -0.0008634000000000, -0.0004541200000000, 0.0002019800000000 ] - [ 0.0001831300000000, 0.0001239400000000, -0.0000979000000000 ] - [ 0.0000827300000000, -0.0001275800000000, 0.0001023300000000 ] - [ -0.0001614300000000, 0.0002677500000000, 0.0000752000000000 ] - [ -0.0002622300000000, -0.0000109100000000, -0.0001054700000000 ] - [ 0.0008835900000000, 0.0002927300000000, 0.0002255900000000 ] - [ -0.0006986100000000, 0.0002877700000000, -0.0004246500000000 ] - [ -0.0003715500000000, 0.0004429100000000, 0.0009794700000000 ] - [ -0.0004902700000000, -0.0000393200000000, -0.0002041600000000 ] - [ 0.0004950600000000, 0.0003959400000000, -0.0001645500000000 ] - [ 0.0003443400000000, -0.0003502300000000, 0.0008714600000000 ] - [ 0.0010654900000000, -0.0003647400000000, -0.0005114900000000 ] - [ -0.0011064500000000, 0.0007420700000000, 0.0002237500000000 ] - [ 0.0005001000000000, 0.0000961900000000, -0.0001256500000000 ] - [ 0.0003882900000000, -0.0000811200000000, 0.0001854800000000 ] - [ -0.0010297700000000, 0.0002233900000000, 0.0003132600000000 ] - [ -0.0003707300000000, 0.0013498800000000, -0.0001922000000000 ] - [ 0.0013057400000000, -0.0000704000000000, 0.0003003700000000 ] - [ -0.0017948200000000, 0.0002598600000000, -0.0005362600000000 ] - [ -0.0007091100000000, -0.0003821900000000, 0.0009432100000000 ] - [ 0.0003984200000000, 0.0014903300000000, -0.0003112600000000 ] - [ 0.0005916700000000, -0.0003537900000000, -0.0000959500000000 ] - [ 0.0006032300000000, 0.0024010100000000, 0.0005463300000000 ] - [ 0.0025634700000000, -0.0019590900000000, -0.0008266900000000 ] - [ -0.0020801000000000, -0.0015541300000000, 0.0000061300000000 ] - [ 0.0003856800000000, -0.0006694200000000, 0.0000335000000000 ] - [ 0.0006059400000000, -0.0002941200000000, 0.0009446800000000 ] - [ -0.0001581900000000, -0.0002400500000000, 0.0001973700000000 ] - [ -0.0000264300000000, -0.0006798100000000, -0.0000911800000000 ] - [ 0.0007269300000000, 0.0001518900000000, 0.0001826100000000 ] - [ -0.0006463000000000, -0.0005249200000000, -0.0004564500000000 ] - [ -0.0002984200000000, -0.0004168100000000, 0.0008710000000000 ] - [ -0.0003071000000000, -0.0002388600000000, -0.0002787600000000 ] - [ 0.0002999000000000, -0.0003018600000000, -0.0003060900000000 ] - [ 0.0001174100000000, -0.0002520000000000, 0.0008798000000000 ] - [ 0.0004624900000000, -0.0004273600000000, -0.0004250500000000 ] - [ -0.0007739900000000, 0.0000512400000000, 0.0001905400000000 ] - [ -0.0000678200000000, -0.0007702100000000, -0.0000975800000000 ] - [ 0.0000271300000000, -0.0002398700000000, 0.0001806800000000 ] - [ -0.0000036500000000, -0.0001976600000000, 0.0000644300000000 ] - [ -0.0002174100000000, -0.0001198300000000, -0.0000981700000000 ] - [ 0.0007430600000000, -0.0005101600000000, 0.0002006600000000 ] - [ -0.0003793200000000, -0.0001543300000000, -0.0003422400000000 ] - [ -0.0001779900000000, -0.0002409900000000, 0.0009296300000000 ] - [ -0.0004423000000000, -0.0002655200000000, -0.0002064500000000 ] - [ 0.0001689000000000, -0.0003947400000000, -0.0000484600000000 ] - [ 0.0003002800000000, -0.0003510600000000, 0.0009636400000000 ] - [ 0.0003513100000000, -0.0002225800000000, -0.0002903900000000 ] - [ -0.0007882800000000, -0.0005543800000000, 0.0002020600000000 ] - [ 0.0002847300000000, -0.0004631800000000, -0.0001301500000000 ] - [ 0.0000052900000000, -0.0002990400000000, 0.0000243200000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0033472300000000, 0.0018521400000000, -0.0008566200000000 ] - [ -0.0000312500000000, -0.0000143700000000, -0.0005185600000000 ] - [ 0.0000544700000000, -0.0005854100000000, -0.0004561900000000 ] - [ -0.0000909500000000, -0.0002903300000000, -0.0004146100000000 ] - [ 0.0001478000000000, 0.0013314300000000, -0.0002683500000000 ] - [ -0.0000019600000000, -0.0017502500000000, -0.0003171400000000 ] - [ -0.0000266500000000, -0.0005688700000000, -0.0004615900000000 ] - [ 0.0000543800000000, -0.0009301400000000, -0.0005469800000000 ] - [ 0.0002644100000000, -0.0003778000000000, 0.0002299500000000 ] - [ 0.0897554500000000, 0.1280570800000000, -0.1083890700000000 ] - [ 0.0004835800000000, -0.0007879700000000, -0.0001620400000000 ] - [ 0.0084057100000000, 0.0142568500000000, -0.0081100400000000 ] - [ -0.0005458200000000, -0.0002037600000000, -0.0001115100000000 ] - [ 0.0003491100000000, -0.0004880000000000, 0.0003504000000000 ] - [ 0.0000379600000000, 0.0022197400000000, -0.0006175800000000 ] - [ 0.0060968500000000, -0.0026095400000000, 0.0004169800000000 ] - [ -0.0000054600000000, -0.0004723800000000, -0.0008099200000000 ] - [ -0.0002672900000000, -0.0006476700000000, 0.0002427900000000 ] - [ -0.0001898800000000, 0.0001358100000000, -0.0000806900000000 ] - [ -0.0000828900000000, -0.0004369700000000, 0.0006729700000000 ] - [ 0.0002030500000000, 0.0001112000000000, 0.0001430900000000 ] - [ 0.0003003900000000, -0.0003593100000000, -0.0002085300000000 ] - [ 0.0001265400000000, 0.0003220600000000, 0.0000186400000000 ] - [ 0.0000609700000000, 0.0002299500000000, -0.0005777900000000 ] - [ -0.0005701700000000, 0.0001191400000000, -0.0000766100000000 ] - [ 0.0002397300000000, 0.0004285900000000, 0.0003084800000000 ] - [ -0.0002239200000000, 0.0001915700000000, 0.0002521500000000 ] - [ 0.0005406500000000, 0.0001401900000000, -0.0000821500000000 ] - [ -0.0000052100000000, 0.0004307500000000, -0.0007419300000000 ] - [ -0.0000453900000000, -0.0001459100000000, 0.0003483000000000 ] - [ -0.0002081100000000, -0.0001638900000000, -0.0001029900000000 ] - [ -0.0003214900000000, 0.0002680200000000, 0.0001382400000000 ] - [ 0.0002822800000000, -0.0002836200000000, 0.0001667400000000 ] - [ 0.0001285600000000, 0.0001237300000000, -0.0000648200000000 ] - [ 0.0000851900000000, -0.0000778100000000, 0.0001755000000000 ] - [ -0.0000265500000000, -0.0004415900000000, -0.0007896100000000 ] - [ -0.0001276900000000, -0.0001243300000000, -0.0000390700000000 ] - [ 0.0005471900000000, -0.0006460000000000, 0.0004763700000000 ] - [ -0.0003700500000000, -0.0004523800000000, 0.0003449600000000 ] - [ 0.0002445100000000, -0.0001297300000000, -0.0000440100000000 ] - [ 0.0000937400000000, -0.0004783800000000, -0.0007167100000000 ] - [ -0.0000569500000000, -0.0000337300000000, 0.0002150200000000 ] - [ -0.0000748700000000, 0.0001371000000000, -0.0000847000000000 ] - [ -0.0003091900000000, -0.0002446600000000, 0.0001340800000000 ] - [ 0.0004031800000000, 0.0000407400000000, -0.0000356800000000 ] - [ 0.0002119100000000, -0.0004932700000000, -0.0003022900000000 ] - [ -0.0000426600000000, -0.0002568700000000, 0.0004822100000000 ] - [ -0.0000411300000000, 0.0000921400000000, -0.0003887400000000 ] - [ -0.0001729200000000, -0.0000103400000000, -0.0000429600000000 ] - [ 0.0002542900000000, 0.0000765600000000, 0.0002178800000000 ] - [ -0.0002897300000000, 0.0001071500000000, 0.0002302000000000 ] - [ 0.0001848000000000, -0.0000315100000000, -0.0000428000000000 ] - [ 0.0000199900000000, 0.0001029000000000, -0.0004259800000000 ] - [ 0.0000245000000000, -0.0001698800000000, 0.0004155300000000 ] - [ -0.0002242700000000, -0.0004577400000000, -0.0002825300000000 ] - [ -0.0003663500000000, 0.0000607100000000, -0.0000006600000000 ] - [ 0.0003223200000000, -0.0001057400000000, 0.0000612700000000 ] - [ 0.0002055900000000, 0.0005643300000000, -0.0003367600000000 ] - [ -0.0000501900000000, 0.0001720000000000, 0.0004242800000000 ] - [ -0.0000560000000000, 0.0000227300000000, -0.0003208900000000 ] - [ -0.0000823400000000, -0.0000091200000000, -0.0000076600000000 ] - [ 0.0003718500000000, -0.0003783200000000, 0.0003311200000000 ] - [ -0.0002379200000000, 0.0000720000000000, 0.0001677200000000 ] - [ 0.0000015000000000, 0.0000476500000000, -0.0000243300000000 ] - [ 0.0000521000000000, -0.0003623700000000, -0.0007082500000000 ] - [ 0.0001350800000000, 0.0003461300000000, 0.0005616000000000 ] - [ -0.0001188000000000, 0.0002105100000000, -0.0001151600000000 ] - [ -0.0005567100000000, 0.0000781300000000, -0.0001867900000000 ] - [ 0.0004337200000000, 0.0001023300000000, 0.0000496000000000 ] - [ -0.0000101100000000, -0.0003603800000000, -0.0001944600000000 ] - [ 0.0000236400000000, 0.0005233900000000, -0.0002568700000000 ] - [ -0.0001394400000000, 0.0001020700000000, -0.0004956900000000 ] - [ 0.0004214300000000, 0.0000332600000000, 0.0001296800000000 ] - [ 0.0018395600000000, 0.0008639700000000, 0.0007470500000000 ] - [ -0.0005029400000000, 0.0000613600000000, 0.0003185000000000 ] - [ -0.0012171100000000, 0.0000234800000000, 0.0001188800000000 ] - [ 0.0013063500000000, 0.0007350300000000, -0.0024982900000000 ] - [ 0.0001748700000000, -0.0003882600000000, 0.0006894700000000 ] - [ 0.0004434300000000, -0.0000269700000000, 0.0004676800000000 ] - [ -0.0018665300000000, -0.0018674600000000, -0.0022987800000000 ] - [ 0.0003119800000000, -0.0002084600000000, 0.0001138300000000 ] - [ 0.0001478700000000, 0.0001730500000000, -0.0001015600000000 ] - [ 0.0000555300000000, 0.0000116800000000, 0.0002423700000000 ] - [ -0.0000281200000000, -0.0003983100000000, -0.0007278900000000 ] - [ -0.0003347500000000, -0.0000909900000000, -0.0000585200000000 ] - [ 0.0002518900000000, -0.0002849600000000, 0.0002795900000000 ] - [ -0.0003598900000000, -0.0004155700000000, 0.0003315100000000 ] - [ 0.0002557700000000, -0.0000987400000000, -0.0000446700000000 ] - [ -0.0000269000000000, -0.0003382800000000, -0.0006572000000000 ] - [ -0.0000807400000000, -0.0000239700000000, 0.0002069100000000 ] - [ -0.0002365200000000, 0.0002098500000000, -0.0001535700000000 ] - [ -0.0002932900000000, -0.0002395900000000, 0.0001412000000000 ] - [ 0.0003264000000000, 0.0000610000000000, 0.0000283500000000 ] - [ 0.0002611300000000, -0.0004925900000000, -0.0003122600000000 ] - [ -0.0000472700000000, -0.0002628500000000, 0.0004866900000000 ] - [ 0.0000135800000000, 0.0000600500000000, -0.0004002000000000 ] - [ -0.0002917400000000, -0.0000582500000000, -0.0000519400000000 ] - [ 0.0002154800000000, 0.0000189900000000, 0.0001910200000000 ] - [ -0.0001830000000000, -0.0000082300000000, 0.0001826000000000 ] - [ 0.0002655100000000, -0.0000362600000000, -0.0000486000000000 ] - [ 0.0000117900000000, 0.0000458400000000, -0.0003525300000000 ] - [ 0.0000402900000000, -0.0003602500000000, 0.0005442900000000 ] - [ -0.0002592300000000, -0.0005330600000000, -0.0003337000000000 ] - [ -0.0003711400000000, 0.0000303100000000, -0.0000151200000000 ] - [ -0.0009892500000000, -0.0097123400000000, 0.0020319900000000 ] - [ 0.0023098100000000, 0.0008397900000000, -0.0003953200000000 ] - [ -0.0011919200000000, 0.0000764900000000, 0.0000341300000000 ] - [ 0.0004140400000000, 0.0016904700000000, -0.0002409300000000 ] - [ -0.0003786700000000, -0.0018693000000000, -0.0002415600000000 ] - [ 0.0003542500000000, -0.0015639900000000, -0.0002204400000000 ] - [ -0.0000127000000000, -0.0000870200000000, -0.0001095700000000 ] - [ 0.0003331500000000, -0.0000497900000000, -0.0000738600000000 ] - [ -0.0004910400000000, -0.0001640600000000, -0.0001190600000000 ] - [ -0.0010478200000000, 0.0004835000000000, -0.0000766800000000 ] - [ 0.0010843500000000, 0.0003097000000000, -0.0004076200000000 ] - [ 0.0000035200000000, 0.0037438700000000, 0.0149524600000000 ] - [ -0.0004991200000000, -0.0011855600000000, -0.0001737800000000 ] - [ 0.0005617400000000, -0.0014072200000000, -0.0001865200000000 ] - [ -0.0007215000000000, -0.0002275700000000, -0.0000428300000000 ] - [ 0.0004204700000000, -0.0003667000000000, -0.0000413100000000 ] - [ 0.0050737000000000, 0.0027176400000000, -0.0153782700000000 ] - [ -0.0006941500000000, 0.0020541600000000, -0.0027535300000000 ] - [ 0.0010363800000000, 0.0007967900000000, 0.0002184000000000 ] - [ -0.0049562700000000, -0.0064813000000000, -0.0053665900000000 ] - [ -0.1016562100000000, -0.1342972900000000, 0.1247405100000000 ] - [ -0.0009213200000000, 0.0008463300000000, -0.0000087800000000 ] - [ 0.0016570100000000, -0.0002651100000000, 0.0013634800000000 ] - [ 0.0004055800000000, 0.0004118200000000, 0.0009803700000000 ] - [ 0.0009690100000000, 0.0002965600000000, -0.0005411800000000 ] - [ -0.0031810200000000, -0.0004519600000000, 0.0006312800000000 ] - [ 0.0007873300000000, 0.0002976200000000, 0.0000826800000000 ] - [ 0.0003441500000000, 0.0002224700000000, 0.0000044600000000 ] - [ -0.0006431900000000, -0.0001442100000000, -0.0002557700000000 ] - [ -0.0003710000000000, -0.0014198700000000, -0.0002014900000000 ] - [ 0.0012475900000000, -0.0002733700000000, 0.0002289500000000 ] - [ -0.0009774100000000, 0.0000213000000000, -0.0003624500000000 ] - [ -0.0004471300000000, 0.0001636400000000, 0.0009087800000000 ] - [ -0.0001137500000000, -0.0006589500000000, 0.0001023900000000 ] - [ 0.0004357400000000, 0.0002017700000000, -0.0002367400000000 ] - [ 0.0006683800000000, -0.0004769800000000, 0.0008878600000000 ] - [ 0.0007780200000000, -0.0000431200000000, -0.0004292900000000 ] - [ -0.0009894800000000, -0.0004645500000000, 0.0002273500000000 ] - [ 0.0002002500000000, 0.0002771200000000, -0.0000913100000000 ] - [ 0.0002587100000000, -0.0001252400000000, 0.0001447900000000 ] - [ -0.0000432100000000, 0.0002549700000000, 0.0000563100000000 ] - [ -0.0002767500000000, 0.0002852300000000, -0.0000971200000000 ] - [ 0.0007206200000000, 0.0006687700000000, 0.0002016400000000 ] - [ -0.0004338300000000, 0.0001751200000000, -0.0003183600000000 ] - [ -0.0003320200000000, 0.0003789500000000, 0.0009653400000000 ] - [ -0.0004015300000000, 0.0003452300000000, -0.0001778700000000 ] - [ 0.0003973000000000, 0.0002776600000000, -0.0002078800000000 ] - [ -0.0000852700000000, 0.0001229200000000, 0.0008712100000000 ] - [ 0.0001983500000000, 0.0002662800000000, -0.0003681900000000 ] - [ -0.0008126300000000, 0.0005178000000000, 0.0001936400000000 ] - [ 0.0001649300000000, 0.0001496000000000, -0.0000946200000000 ] - [ -0.0000908800000000, 0.0002098600000000, 0.0000688200000000 ] - [ -0.0001235000000000, 0.0002920600000000, 0.0002182700000000 ] - [ 0.0000299800000000, 0.0008076400000000, -0.0000804700000000 ] - [ 0.0007078600000000, -0.0000407300000000, 0.0001807800000000 ] - [ -0.0005964100000000, 0.0005557800000000, -0.0004740800000000 ] - [ -0.0001725300000000, 0.0005046400000000, 0.0008446500000000 ] - [ -0.0003208500000000, 0.0003036400000000, -0.0003162600000000 ] - [ 0.0002702300000000, 0.0001192900000000, -0.0002791600000000 ] - [ 0.0002802000000000, 0.0004159900000000, 0.0008689500000000 ] - [ 0.0005880200000000, 0.0005100900000000, -0.0004341800000000 ] - [ -0.0007439100000000, -0.0000745800000000, 0.0001780700000000 ] - [ 0.0000398600000000, 0.0005498500000000, -0.0000868800000000 ] - [ 0.0001328300000000, 0.0002076900000000, 0.0001921600000000 ] - [ -0.0000500400000000, -0.0003501500000000, 0.0002199200000000 ] - [ 0.0000431800000000, -0.0006659000000000, -0.0000786100000000 ] - [ 0.0007275000000000, 0.0002398100000000, 0.0001534900000000 ] - [ -0.0004237100000000, -0.0007560500000000, -0.0003907600000000 ] - [ -0.0002273700000000, -0.0006338000000000, 0.0008344600000000 ] - [ -0.0002390000000000, -0.0000446100000000, -0.0003046000000000 ] - [ 0.0002377300000000, -0.0004831700000000, -0.0003429400000000 ] - [ 0.0002585600000000, 0.0001678300000000, 0.0009437300000000 ] - [ 0.0000598000000000, -0.0000942400000000, -0.0003037200000000 ] - [ -0.0004953700000000, -0.0002152500000000, 0.0001543300000000 ] - [ -0.0002764500000000, -0.0007697800000000, -0.0000574200000000 ] - [ -0.0001737300000000, 0.0000020500000000, 0.0001094900000000 ] - [ 0.0008301200000000, -0.0001476300000000, -0.0000219900000000 ] - [ 0.0001515600000000, -0.0006953000000000, 0.0000109700000000 ] - [ 0.0002955600000000, -0.0004658300000000, 0.0000767400000000 ] - [ 0.0006903800000000, 0.0001978700000000, -0.0002748900000000 ] - [ 0.0001140300000000, 0.0005733000000000, 0.0008708900000000 ] - [ -0.0011454300000000, -0.0014175600000000, -0.0001963100000000 ] - [ 0.0001371400000000, 0.0004405200000000, -0.0004117200000000 ] - [ 0.0000004800000000, -0.0022434900000000, 0.0012630600000000 ] - [ -0.0014483300000000, 0.0023931200000000, 0.0000268000000000 ] - [ 0.0004895800000000, 0.0010404600000000, 0.0003688700000000 ] - [ -0.0001813200000000, 0.0013570100000000, -0.0002177800000000 ] - [ -0.0004157400000000, 0.0003911100000000, -0.0006594500000000 ] - [ -0.0000553700000000, 0.0001653600000000, 0.0000960800000000 ] - [ -0.0001978800000000, 0.0000170900000000, -0.0000935200000000 ] - [ 0.0008821400000000, 0.0003828200000000, 0.0001967300000000 ] - [ -0.0004761800000000, 0.0000690900000000, -0.0003574200000000 ] - [ -0.0003025500000000, 0.0002369100000000, 0.0009450400000000 ] - [ -0.0004241000000000, 0.0001578800000000, -0.0002266900000000 ] - [ 0.0004326900000000, 0.0002228000000000, -0.0001997300000000 ] - [ 0.0004865900000000, 0.0000718700000000, 0.0009357400000000 ] - [ 0.0006601400000000, -0.0000280100000000, -0.0003876600000000 ] - [ -0.0008340400000000, 0.0004836000000000, 0.0001887800000000 ] - [ 0.0002953600000000, 0.0001084200000000, -0.0000859700000000 ] - [ 0.0001887000000000, 0.0001646700000000, 0.0001124800000000 ] - [ -0.0002124300000000, 0.0002785000000000, 0.0002325400000000 ] - [ -0.0000059400000000, 0.0007922200000000, -0.0000861000000000 ] - [ 0.0008657800000000, -0.0000196200000000, 0.0001776000000000 ] - [ -0.0007487700000000, 0.0006188800000000, -0.0004735500000000 ] - [ -0.0004256800000000, 0.0004266300000000, 0.0008849500000000 ] - [ -0.0002892200000000, 0.0003527700000000, -0.0003015400000000 ] - [ 0.0005666600000000, 0.0004841600000000, -0.0004621800000000 ] - [ 0.0003013800000000, 0.0005409500000000, 0.0008511500000000 ] - [ 0.0007763400000000, 0.0006883200000000, -0.0005263700000000 ] - [ -0.0008212000000000, 0.0000258000000000, 0.0001770200000000 ] - [ -0.0000635100000000, 0.0011458100000000, -0.0000533800000000 ] - [ 0.0002117200000000, 0.0003822400000000, 0.0002711400000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0023987300000000, 0.0011312800000000, -0.0027394600000000 ] - [ -0.0000472000000000, -0.0000127100000000, -0.0004920100000000 ] - [ 0.0000317700000000, -0.0003800100000000, -0.0004549000000000 ] - [ -0.0000907700000000, -0.0001608900000000, -0.0004296000000000 ] - [ -0.0003153500000000, 0.0007131500000000, -0.0000118400000000 ] - [ -0.0000646200000000, -0.0009989300000000, -0.0002633100000000 ] - [ -0.0000137600000000, -0.0003670900000000, -0.0004577500000000 ] - [ 0.0000167600000000, -0.0006354300000000, -0.0006079100000000 ] - [ 0.0002210200000000, -0.0000295800000000, 0.0004310400000000 ] - [ 0.1110204000000000, 0.1075184000000000, -0.2017987500000000 ] - [ 0.0004102400000000, -0.0006151400000000, -0.0000111700000000 ] - [ -0.0175454400000000, -0.0163065900000000, 0.0257211600000000 ] - [ -0.0004228300000000, 0.0000288300000000, -0.0000519400000000 ] - [ 0.0003228900000000, -0.0004035800000000, 0.0003323800000000 ] - [ 0.0011452000000000, 0.0001140300000000, 0.0024984700000000 ] - [ 0.0040610900000000, -0.0010405800000000, -0.0021127400000000 ] - [ -0.0000103900000000, -0.0004057200000000, -0.0007342100000000 ] - [ 0.0000672400000000, 0.0007347700000000, 0.0017239700000000 ] - [ -0.0001924900000000, 0.0002103700000000, -0.0001282400000000 ] - [ -0.0001598600000000, -0.0002335400000000, 0.0000975400000000 ] - [ 0.0002937400000000, 0.0002351800000000, 0.0001062600000000 ] - [ 0.0002529200000000, -0.0003196500000000, -0.0001947200000000 ] - [ 0.0001998500000000, 0.0000194000000000, 0.0002888200000000 ] - [ 0.0000272700000000, 0.0002554600000000, -0.0005889600000000 ] - [ -0.0004457400000000, 0.0000881700000000, -0.0000616100000000 ] - [ 0.0003302200000000, 0.0003879500000000, 0.0003378100000000 ] - [ -0.0002633500000000, 0.0002271900000000, 0.0002663900000000 ] - [ 0.0003778400000000, 0.0000909900000000, -0.0000650000000000 ] - [ 0.0000067200000000, 0.0003559600000000, -0.0006602900000000 ] - [ -0.0000411600000000, -0.0001230000000000, 0.0003378200000000 ] - [ -0.0002060300000000, -0.0002280100000000, -0.0001604600000000 ] - [ -0.0003308200000000, 0.0002080800000000, 0.0001059900000000 ] - [ 0.0003033400000000, -0.0002349400000000, 0.0001266800000000 ] - [ 0.0001493300000000, 0.0001905200000000, -0.0001096500000000 ] - [ 0.0000561700000000, -0.0000210900000000, 0.0002364300000000 ] - [ -0.0000248000000000, -0.0003753200000000, -0.0007171100000000 ] - [ -0.0001659100000000, -0.0000951600000000, -0.0000423700000000 ] - [ 0.0004601300000000, -0.0005048500000000, 0.0004294800000000 ] - [ -0.0003464200000000, -0.0003801800000000, 0.0003206400000000 ] - [ 0.0002414600000000, -0.0000999800000000, -0.0000441500000000 ] - [ 0.0000782900000000, -0.0004007800000000, -0.0006507800000000 ] - [ -0.0000413500000000, 0.0000181400000000, 0.0002615200000000 ] - [ -0.0001200500000000, 0.0002071300000000, -0.0001279600000000 ] - [ -0.0003202700000000, -0.0002097300000000, 0.0001080100000000 ] - [ 0.0003789500000000, 0.0000781200000000, -0.0000002200000000 ] - [ 0.0001996100000000, -0.0004391800000000, -0.0002677100000000 ] - [ -0.0000250200000000, -0.0002070200000000, 0.0004357700000000 ] - [ -0.0000308800000000, 0.0001523900000000, -0.0004431700000000 ] - [ -0.0001997900000000, 0.0000088400000000, -0.0000443300000000 ] - [ 0.0002696100000000, 0.0001345000000000, 0.0002370500000000 ] - [ -0.0003001700000000, 0.0001615900000000, 0.0002479200000000 ] - [ 0.0001967200000000, -0.0000074800000000, -0.0000433700000000 ] - [ 0.0000201300000000, 0.0001542400000000, -0.0004792000000000 ] - [ 0.0000076500000000, -0.0001467800000000, 0.0003866000000000 ] - [ -0.0002123400000000, -0.0004088300000000, -0.0002520300000000 ] - [ -0.0003567900000000, 0.0000915100000000, 0.0000208400000000 ] - [ 0.0003205100000000, -0.0001229000000000, 0.0000635300000000 ] - [ 0.0001973600000000, 0.0004632300000000, -0.0002684600000000 ] - [ -0.0000306100000000, 0.0001509200000000, 0.0003974100000000 ] - [ -0.0000422600000000, -0.0000888200000000, -0.0004293800000000 ] - [ -0.0001736100000000, -0.0000224300000000, -0.0000282000000000 ] - [ 0.0003337800000000, -0.0002994000000000, 0.0002962700000000 ] - [ -0.0002582400000000, -0.0000509100000000, 0.0002032400000000 ] - [ 0.0000801700000000, 0.0000112800000000, -0.0000321000000000 ] - [ 0.0000428400000000, -0.0002919800000000, -0.0006278500000000 ] - [ 0.0000829800000000, 0.0002209600000000, 0.0004330400000000 ] - [ -0.0001478600000000, 0.0002797900000000, -0.0001638800000000 ] - [ -0.0004520000000000, 0.0000084900000000, -0.0000785300000000 ] - [ 0.0003790900000000, 0.0001315800000000, 0.0000837100000000 ] - [ 0.0000916100000000, -0.0003350100000000, -0.0001950200000000 ] - [ 0.0001037300000000, 0.0003463700000000, -0.0003552500000000 ] - [ -0.0000935100000000, 0.0001288600000000, -0.0004702800000000 ] - [ 0.0003253800000000, 0.0001609300000000, 0.0001438000000000 ] - [ 0.0014008100000000, 0.0000522700000000, 0.0001650600000000 ] - [ -0.0004313900000000, 0.0001041600000000, 0.0002647200000000 ] - [ -0.0003534700000000, 0.0000199200000000, -0.0000611100000000 ] - [ -0.0009648400000000, 0.0018881800000000, -0.0014928200000000 ] - [ 0.0001547500000000, -0.0003288700000000, 0.0007452200000000 ] - [ 0.0003493700000000, 0.0003422200000000, 0.0011266100000000 ] - [ -0.0008594200000000, 0.0004537800000000, -0.0036407400000000 ] - [ 0.0003186600000000, -0.0001857300000000, 0.0000976500000000 ] - [ 0.0001630900000000, 0.0002273900000000, -0.0001368500000000 ] - [ 0.0000336700000000, 0.0000571500000000, 0.0002892700000000 ] - [ -0.0000260200000000, -0.0003431600000000, -0.0006715700000000 ] - [ -0.0003040900000000, -0.0000749400000000, -0.0000533600000000 ] - [ 0.0002697500000000, -0.0002717100000000, 0.0002786200000000 ] - [ -0.0003382600000000, -0.0003526600000000, 0.0003104500000000 ] - [ 0.0002514700000000, -0.0000754800000000, -0.0000445200000000 ] - [ -0.0000067100000000, -0.0003078600000000, -0.0006396400000000 ] - [ -0.0000564200000000, 0.0000244200000000, 0.0002564300000000 ] - [ -0.0002205600000000, 0.0002402500000000, -0.0001632300000000 ] - [ -0.0003061500000000, -0.0002046200000000, 0.0001145700000000 ] - [ 0.0003295400000000, 0.0000887400000000, 0.0000403200000000 ] - [ 0.0002355900000000, -0.0004282400000000, -0.0002675300000000 ] - [ -0.0000248000000000, -0.0002094900000000, 0.0004359200000000 ] - [ 0.0000173600000000, 0.0001149300000000, -0.0004797500000000 ] - [ -0.0002729300000000, -0.0000247400000000, -0.0000496800000000 ] - [ 0.0002456200000000, 0.0000964300000000, 0.0002195800000000 ] - [ -0.0002039400000000, 0.0000578200000000, 0.0002130800000000 ] - [ 0.0002683700000000, -0.0000088800000000, -0.0000474700000000 ] - [ 0.0000158100000000, 0.0001148600000000, -0.0004272900000000 ] - [ 0.0000147700000000, -0.0002899000000000, 0.0004745100000000 ] - [ -0.0002350400000000, -0.0004601800000000, -0.0002871800000000 ] - [ -0.0003575100000000, 0.0000687000000000, 0.0000137400000000 ] - [ 0.0034113900000000, -0.0072060400000000, -0.0016223800000000 ] - [ 0.0012676200000000, 0.0005670400000000, 0.0001188200000000 ] - [ -0.0009048400000000, 0.0002991400000000, 0.0000158100000000 ] - [ 0.0003522100000000, 0.0012604600000000, -0.0002213000000000 ] - [ -0.0003894800000000, -0.0014517800000000, -0.0002059300000000 ] - [ 0.0003671400000000, -0.0012467100000000, -0.0001964300000000 ] - [ -0.0001541800000000, 0.0001853800000000, -0.0001257000000000 ] - [ 0.0003589100000000, 0.0002102200000000, -0.0000988200000000 ] - [ -0.0005295700000000, -0.0003461000000000, -0.0001010600000000 ] - [ -0.0005963800000000, 0.0000069200000000, -0.0002811300000000 ] - [ 0.0002819200000000, 0.0007880300000000, -0.0002913200000000 ] - [ -0.0012707500000000, 0.0001529100000000, 0.0163360200000000 ] - [ -0.0004842500000000, -0.0009902100000000, -0.0001628000000000 ] - [ 0.0005464100000000, -0.0011110100000000, -0.0001639600000000 ] - [ -0.0006166000000000, 0.0000826100000000, -0.0000759300000000 ] - [ 0.0004448700000000, -0.0000444700000000, -0.0000741800000000 ] - [ 0.0051361800000000, 0.0111918700000000, -0.0073972900000000 ] - [ -0.0005868800000000, 0.0014633700000000, -0.0022053400000000 ] - [ 0.0009985300000000, 0.0003537400000000, 0.0005420000000000 ] - [ -0.0022955500000000, -0.0020699800000000, -0.0054094300000000 ] - [ -0.0980840300000000, -0.0963141000000000, 0.1800346200000000 ] - [ -0.0007703700000000, 0.0005527000000000, -0.0000511500000000 ] - [ -0.0009879200000000, -0.0014691000000000, -0.0011666600000000 ] - [ 0.0003771300000000, 0.0002308500000000, 0.0009679300000000 ] - [ 0.0008999300000000, 0.0000036900000000, -0.0005224400000000 ] - [ -0.0024592500000000, -0.0004450700000000, 0.0015594700000000 ] - [ 0.0008395400000000, 0.0000657200000000, -0.0012113400000000 ] - [ 0.0001908500000000, 0.0001215500000000, -0.0001375100000000 ] - [ -0.0003587900000000, -0.0001527200000000, 0.0000458100000000 ] - [ -0.0002271700000000, -0.0006523700000000, -0.0003648500000000 ] - [ 0.0010352500000000, -0.0003254500000000, 0.0002796000000000 ] - [ -0.0007762400000000, 0.0000947900000000, -0.0003654900000000 ] - [ -0.0003834100000000, 0.0001197200000000, 0.0009109200000000 ] - [ -0.0004699400000000, -0.0002672500000000, 0.0000414400000000 ] - [ 0.0004331600000000, 0.0001358100000000, -0.0002311900000000 ] - [ 0.0006000700000000, -0.0002496700000000, 0.0008759200000000 ] - [ 0.0007642100000000, 0.0000334800000000, -0.0004721400000000 ] - [ -0.0008884400000000, -0.0003732300000000, 0.0002159000000000 ] - [ 0.0001907100000000, 0.0002895800000000, -0.0000915000000000 ] - [ 0.0002080500000000, -0.0000651100000000, 0.0001373200000000 ] - [ -0.0000640900000000, 0.0001583100000000, 0.0000780900000000 ] - [ -0.0002241400000000, 0.0000966100000000, -0.0000958500000000 ] - [ 0.0007500000000000, 0.0005239900000000, 0.0002087000000000 ] - [ -0.0004747800000000, 0.0000474900000000, -0.0003483700000000 ] - [ -0.0003198800000000, 0.0002085700000000, 0.0009468400000000 ] - [ -0.0003845100000000, 0.0002130700000000, -0.0002062200000000 ] - [ 0.0003930300000000, 0.0001614400000000, -0.0002217400000000 ] - [ 0.0000233100000000, 0.0000144000000000, 0.0008571100000000 ] - [ 0.0003140600000000, 0.0000979300000000, -0.0003899300000000 ] - [ -0.0008091100000000, 0.0004350900000000, 0.0001992900000000 ] - [ 0.0001455200000000, -0.0000294900000000, -0.0000937100000000 ] - [ -0.0000246400000000, 0.0001187400000000, 0.0000943200000000 ] - [ -0.0001095700000000, 0.0002057500000000, 0.0001911400000000 ] - [ -0.0000170700000000, 0.0006504800000000, -0.0000851400000000 ] - [ 0.0007459700000000, -0.0001263300000000, 0.0001914700000000 ] - [ -0.0005721800000000, 0.0004344000000000, -0.0004556900000000 ] - [ -0.0001877600000000, 0.0003989400000000, 0.0008366700000000 ] - [ -0.0003400700000000, 0.0002165200000000, -0.0002903900000000 ] - [ 0.0003237800000000, 0.0000836800000000, -0.0002697300000000 ] - [ 0.0002878500000000, 0.0003085300000000, 0.0008837200000000 ] - [ 0.0005825100000000, 0.0004053500000000, -0.0004281400000000 ] - [ -0.0007586500000000, -0.0001497200000000, 0.0001898600000000 ] - [ 0.0000726900000000, 0.0004777500000000, -0.0000874500000000 ] - [ 0.0001247800000000, 0.0001468000000000, 0.0001719700000000 ] - [ -0.0000517400000000, -0.0002223200000000, 0.0001818000000000 ] - [ -0.0000007800000000, -0.0005373600000000, -0.0000845400000000 ] - [ 0.0007843900000000, 0.0002506400000000, 0.0001770000000000 ] - [ -0.0004283400000000, -0.0005440600000000, -0.0003750300000000 ] - [ -0.0002181200000000, -0.0004373000000000, 0.0008638500000000 ] - [ -0.0002843900000000, -0.0000441200000000, -0.0002871800000000 ] - [ 0.0002522200000000, -0.0002833700000000, -0.0003185600000000 ] - [ 0.0002737500000000, 0.0000192300000000, 0.0009235000000000 ] - [ 0.0003574100000000, -0.0001970200000000, -0.0003795400000000 ] - [ -0.0006114800000000, -0.0000161300000000, 0.0001523200000000 ] - [ -0.0000606500000000, -0.0006765500000000, -0.0000350300000000 ] - [ -0.0000334500000000, -0.0000744700000000, 0.0001428600000000 ] - [ 0.0003084000000000, -0.0000630700000000, 0.0001838600000000 ] - [ 0.0001464400000000, -0.0002287000000000, 0.0001227100000000 ] - [ 0.0004833100000000, -0.0005061600000000, 0.0000263400000000 ] - [ 0.0004119300000000, 0.0002621400000000, -0.0003263600000000 ] - [ -0.0000643800000000, 0.0003952600000000, 0.0008383300000000 ] - [ -0.0016921000000000, -0.0004783100000000, -0.0002691900000000 ] - [ 0.0001642600000000, 0.0003332600000000, -0.0004702700000000 ] - [ 0.0013617200000000, -0.0017599300000000, -0.0000167800000000 ] - [ -0.0008142400000000, 0.0001151800000000, 0.0009116900000000 ] - [ -0.0000444600000000, 0.0002348300000000, 0.0012972000000000 ] - [ -0.0012040200000000, 0.0017936500000000, -0.0003354200000000 ] - [ -0.0007459700000000, 0.0003323700000000, -0.0009585300000000 ] - [ -0.0000707600000000, 0.0000880100000000, 0.0001130600000000 ] - [ -0.0001585500000000, -0.0001303200000000, -0.0000968000000000 ] - [ 0.0008615800000000, 0.0003473500000000, 0.0002005500000000 ] - [ -0.0005074000000000, -0.0000362900000000, -0.0003794100000000 ] - [ -0.0002994200000000, 0.0001069600000000, 0.0009318700000000 ] - [ -0.0003949800000000, 0.0000542000000000, -0.0002296200000000 ] - [ 0.0004149600000000, 0.0001240300000000, -0.0002152900000000 ] - [ 0.0004305100000000, 0.0000283000000000, 0.0009404100000000 ] - [ 0.0006221000000000, -0.0000892900000000, -0.0003923200000000 ] - [ -0.0008292400000000, 0.0004078300000000, 0.0001946600000000 ] - [ 0.0002319500000000, -0.0000522700000000, -0.0000903700000000 ] - [ 0.0001566200000000, 0.0000949900000000, 0.0001171700000000 ] - [ -0.0001841600000000, 0.0001903500000000, 0.0001984100000000 ] - [ -0.0000521100000000, 0.0006336700000000, -0.0000893600000000 ] - [ 0.0008452600000000, -0.0001091700000000, 0.0001885000000000 ] - [ -0.0007047200000000, 0.0004813100000000, -0.0004499600000000 ] - [ -0.0004340200000000, 0.0002779000000000, 0.0009299400000000 ] - [ -0.0003250400000000, 0.0002488600000000, -0.0002803500000000 ] - [ 0.0005040000000000, 0.0003343100000000, -0.0003523000000000 ] - [ 0.0002963400000000, 0.0003991900000000, 0.0008697200000000 ] - [ 0.0007018400000000, 0.0005291400000000, -0.0004900000000000 ] - [ -0.0008281900000000, -0.0000760100000000, 0.0001862400000000 ] - [ -0.0000053300000000, 0.0008870800000000, -0.0000758800000000 ] - [ 0.0001713200000000, 0.0002645100000000, 0.0002283000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0023107700000000, -0.0011320600000000, 0.0018072400000000 ] - [ 0.0000453300000000, 0.0000128500000000, -0.0004210500000000 ] - [ -0.0000315700000000, 0.0003728800000000, -0.0004572100000000 ] - [ 0.0000887200000000, 0.0001573900000000, -0.0004821600000000 ] - [ 0.0003076600000000, -0.0006973800000000, -0.0008983200000000 ] - [ 0.0000657100000000, 0.0009770700000000, -0.0006480900000000 ] - [ 0.0000135900000000, 0.0003604400000000, -0.0004547100000000 ] - [ -0.0000157500000000, 0.0006237200000000, -0.0003061100000000 ] - [ 0.0004467200000000, -0.0002591200000000, -0.0002959500000000 ] - [ -0.1180472700000000, -0.1151136400000000, 0.2072439000000000 ] - [ -0.0003779500000000, 0.0008324700000000, 0.0007001200000000 ] - [ 0.0179734700000000, 0.0160950400000000, -0.0276114200000000 ] - [ -0.0000567000000000, -0.0001088300000000, -0.0000384900000000 ] - [ 0.0002796100000000, -0.0000832200000000, 0.0002133300000000 ] - [ -0.0017143500000000, -0.0005770100000000, -0.0019278000000000 ] - [ -0.0035308000000000, 0.0009895500000000, 0.0019809600000000 ] - [ 0.0000539100000000, -0.0000923300000000, -0.0004177800000000 ] - [ -0.0000985700000000, -0.0005001100000000, -0.0010040000000000 ] - [ -0.0001864000000000, 0.0004294400000000, -0.0002609100000000 ] - [ -0.0005070700000000, -0.0000559400000000, 0.0000249700000000 ] - [ 0.0003744600000000, 0.0000538400000000, 0.0000245900000000 ] - [ 0.0001261800000000, -0.0003210900000000, -0.0001951400000000 ] - [ -0.0001726800000000, -0.0002454900000000, 0.0004023000000000 ] - [ -0.0000707400000000, 0.0002408300000000, -0.0005610800000000 ] - [ -0.0000349800000000, -0.0000076500000000, -0.0000289900000000 ] - [ 0.0002716000000000, 0.0000981200000000, 0.0002077900000000 ] - [ -0.0003384700000000, 0.0002573100000000, 0.0002785700000000 ] - [ 0.0000996500000000, -0.0000101000000000, -0.0000255900000000 ] - [ 0.0000368300000000, 0.0001415900000000, -0.0004910200000000 ] - [ 0.0000150000000000, -0.0001061100000000, 0.0003548700000000 ] - [ -0.0001727400000000, -0.0004118900000000, -0.0002288300000000 ] - [ -0.0003386300000000, 0.0000813100000000, 0.0000245600000000 ] - [ 0.0003654200000000, -0.0000548800000000, 0.0000044100000000 ] - [ 0.0002286900000000, 0.0004490800000000, -0.0002793500000000 ] - [ -0.0000298200000000, 0.0002476800000000, 0.0004545200000000 ] - [ -0.0000193200000000, -0.0001221200000000, -0.0004343000000000 ] - [ -0.0003089900000000, 0.0000145100000000, -0.0000477800000000 ] - [ 0.0001451800000000, 0.0000155900000000, 0.0001184400000000 ] - [ -0.0002562900000000, -0.0001060100000000, 0.0002248100000000 ] - [ 0.0002350300000000, 0.0000191700000000, -0.0000461800000000 ] - [ -0.0000331700000000, -0.0000972900000000, -0.0005001400000000 ] - [ 0.0000152700000000, 0.0002089700000000, 0.0004298600000000 ] - [ -0.0002570500000000, 0.0004324400000000, -0.0002609900000000 ] - [ -0.0003489600000000, -0.0000794500000000, 0.0000223300000000 ] - [ 0.0002912200000000, 0.0002088300000000, 0.0001288200000000 ] - [ 0.0001794200000000, -0.0002051700000000, -0.0001244100000000 ] - [ 0.0000499000000000, -0.0000235100000000, 0.0002586400000000 ] - [ -0.0000133400000000, 0.0003409200000000, -0.0007030700000000 ] - [ -0.0002758900000000, 0.0000703000000000, -0.0000458700000000 ] - [ 0.0003314300000000, 0.0003466700000000, 0.0003066200000000 ] - [ -0.0003016100000000, 0.0003202800000000, 0.0002960500000000 ] - [ 0.0002790600000000, 0.0000862100000000, -0.0000469400000000 ] - [ 0.0000239000000000, 0.0003392100000000, -0.0006679600000000 ] - [ -0.0000323500000000, -0.0000830300000000, 0.0003078600000000 ] - [ -0.0001667000000000, -0.0002346300000000, -0.0001395300000000 ] - [ -0.0003131300000000, 0.0001954300000000, 0.0001077600000000 ] - [ 0.0003484500000000, -0.0001647600000000, 0.0000663100000000 ] - [ 0.0001810200000000, 0.0001810400000000, -0.0001232400000000 ] - [ 0.0000544100000000, 0.0000793800000000, 0.0002978500000000 ] - [ -0.0000024000000000, -0.0004035100000000, -0.0007169600000000 ] - [ -0.0003017600000000, -0.0000567500000000, -0.0000617500000000 ] - [ 0.0002685800000000, -0.0001850300000000, 0.0002486300000000 ] - [ -0.0003438300000000, -0.0004300300000000, 0.0003405300000000 ] - [ 0.0003914300000000, -0.0000899600000000, -0.0000576800000000 ] - [ 0.0000015500000000, -0.0002038800000000, -0.0005218900000000 ] - [ -0.0001068600000000, 0.0000113000000000, 0.0002631800000000 ] - [ -0.0002302800000000, 0.0003616100000000, -0.0002262500000000 ] - [ -0.0002200700000000, -0.0002944500000000, 0.0002055200000000 ] - [ 0.0002910900000000, 0.0001565400000000, 0.0000464100000000 ] - [ 0.0002843400000000, -0.0003074600000000, -0.0001954000000000 ] - [ -0.0000767500000000, -0.0005710800000000, 0.0010448400000000 ] - [ 0.0000480600000000, 0.0003643500000000, -0.0006775100000000 ] - [ -0.0007888100000000, -0.0000786000000000, -0.0002306200000000 ] - [ -0.0007853500000000, 0.0004421600000000, 0.0003892000000000 ] - [ -0.0001732700000000, 0.0003773700000000, 0.0002806400000000 ] - [ 0.0008121400000000, 0.0000596400000000, -0.0000273800000000 ] - [ 0.0010064400000000, -0.0013720300000000, 0.0003143200000000 ] - [ -0.0001774800000000, 0.0000962600000000, -0.0000466800000000 ] - [ -0.0007169100000000, -0.0009677200000000, -0.0014996900000000 ] - [ 0.0001715800000000, -0.0001674100000000, 0.0037114900000000 ] - [ 0.0003504100000000, -0.0001032200000000, 0.0000329400000000 ] - [ 0.0002151900000000, 0.0004127900000000, -0.0002525800000000 ] - [ -0.0000077100000000, 0.0001706600000000, 0.0004024900000000 ] - [ -0.0000180600000000, -0.0001538300000000, -0.0004792000000000 ] - [ -0.0001729300000000, -0.0000054900000000, -0.0000367600000000 ] - [ 0.0003320300000000, -0.0002136100000000, 0.0002667300000000 ] - [ -0.0002642400000000, -0.0001330400000000, 0.0002348300000000 ] - [ 0.0002255800000000, -0.0000048400000000, -0.0000459500000000 ] - [ 0.0000502800000000, -0.0001891700000000, -0.0005116100000000 ] - [ 0.0000301600000000, 0.0002028800000000, 0.0004348700000000 ] - [ -0.0001582300000000, 0.0003995600000000, -0.0002260100000000 ] - [ -0.0003626600000000, -0.0000844400000000, 0.0000159100000000 ] - [ 0.0003397300000000, 0.0001982800000000, 0.0000889600000000 ] - [ 0.0001440100000000, -0.0002156400000000, -0.0001242700000000 ] - [ 0.0000496200000000, -0.0000212800000000, 0.0002588000000000 ] - [ -0.0000607600000000, 0.0003780000000000, -0.0006674400000000 ] - [ -0.0002039500000000, 0.0001031400000000, -0.0000405700000000 ] - [ 0.0003552600000000, 0.0003844500000000, 0.0003240100000000 ] - [ -0.0003960800000000, 0.0004223500000000, 0.0003301700000000 ] - [ 0.0002088400000000, 0.0000877900000000, -0.0000429700000000 ] - [ 0.0000281000000000, 0.0003776900000000, -0.0007188500000000 ] - [ -0.0000387800000000, 0.0000571200000000, 0.0002223400000000 ] - [ -0.0001445400000000, -0.0001844400000000, -0.0001050700000000 ] - [ -0.0003123000000000, 0.0002179700000000, 0.0001148900000000 ] - [ -0.0042066900000000, 0.0057903900000000, 0.0013499700000000 ] - [ -0.0003980100000000, -0.0018357500000000, -0.0003721900000000 ] - [ 0.0000553100000000, 0.0009803400000000, -0.0002771400000000 ] - [ 0.0004867100000000, 0.0000389100000000, -0.0000444200000000 ] - [ -0.0004519300000000, 0.0001482700000000, -0.0000596000000000 ] - [ 0.0004732100000000, -0.0000535900000000, -0.0000687300000000 ] - [ -0.0006832500000000, 0.0010955000000000, -0.0001377300000000 ] - [ 0.0004821500000000, 0.0010698300000000, -0.0001646300000000 ] - [ -0.0003153600000000, -0.0009369400000000, -0.0001620900000000 ] - [ 0.0014179300000000, -0.0012844000000000, 0.0000163500000000 ] - [ -0.0011081800000000, 0.0005025900000000, 0.0000239700000000 ] - [ 0.0020294700000000, 0.0010844900000000, -0.0163760100000000 ] - [ -0.0003586100000000, -0.0003039300000000, -0.0001019100000000 ] - [ 0.0002982300000000, -0.0001857600000000, -0.0001010500000000 ] - [ -0.0002298400000000, 0.0011941700000000, -0.0001866800000000 ] - [ 0.0003977200000000, 0.0013201700000000, -0.0001890000000000 ] - [ -0.0051908400000000, -0.0108764300000000, 0.0076099600000000 ] - [ 0.0003558300000000, -0.0021118700000000, 0.0020059900000000 ] - [ 0.0006105100000000, 0.0001840000000000, -0.0001642200000000 ] - [ 0.0011279200000000, 0.0015865900000000, 0.0045793200000000 ] - [ 0.1043441000000000, 0.1038239000000000, -0.1833633100000000 ] - [ 0.0000332300000000, -0.0006233300000000, -0.0004590500000000 ] - [ 0.0017117900000000, 0.0013724700000000, 0.0006580400000000 ] - [ 0.0002255700000000, -0.0004046600000000, 0.0008518000000000 ] - [ 0.0002339300000000, -0.0004634000000000, -0.0002957500000000 ] - [ 0.0008310000000000, 0.0009517600000000, -0.0011629800000000 ] - [ -0.0005974300000000, -0.0007160700000000, 0.0010230500000000 ] - [ 0.0000261300000000, -0.0001967000000000, 0.0004311000000000 ] - [ 0.0001400500000000, 0.0002261500000000, 0.0002535800000000 ] - [ -0.0000030100000000, 0.0012920700000000, 0.0001800700000000 ] - [ 0.0005753300000000, -0.0002083200000000, 0.0000964200000000 ] - [ -0.0003573100000000, 0.0003663900000000, -0.0004509300000000 ] - [ -0.0002202400000000, 0.0000601900000000, 0.0009072000000000 ] - [ -0.0002591800000000, 0.0003417900000000, -0.0005509000000000 ] - [ 0.0002975500000000, -0.0000529900000000, -0.0002816200000000 ] - [ 0.0000069500000000, 0.0004223800000000, 0.0009417800000000 ] - [ 0.0003701200000000, 0.0004277800000000, -0.0003460100000000 ] - [ -0.0007185800000000, -0.0001622100000000, 0.0001588400000000 ] - [ 0.0000393600000000, 0.0003695800000000, -0.0000869900000000 ] - [ 0.0000093500000000, 0.0001411600000000, 0.0001612900000000 ] - [ -0.0001496200000000, -0.0002325300000000, 0.0002196700000000 ] - [ -0.0000054100000000, -0.0007492900000000, -0.0000839200000000 ] - [ 0.0008555700000000, 0.0000141400000000, 0.0001662800000000 ] - [ -0.0006550800000000, -0.0005075800000000, -0.0004688200000000 ] - [ -0.0002820700000000, -0.0003833200000000, 0.0008720400000000 ] - [ -0.0003450800000000, -0.0002887900000000, -0.0003063500000000 ] - [ 0.0003373800000000, -0.0002390000000000, -0.0002901200000000 ] - [ 0.0005732500000000, -0.0001936000000000, 0.0009604200000000 ] - [ 0.0008104800000000, -0.0005570500000000, -0.0004268000000000 ] - [ -0.0007967700000000, 0.0001013100000000, 0.0001757900000000 ] - [ 0.0000836000000000, -0.0006248300000000, -0.0000848000000000 ] - [ 0.0002372600000000, -0.0001941900000000, 0.0002030700000000 ] - [ -0.0001048500000000, -0.0001241100000000, 0.0001083300000000 ] - [ -0.0002086700000000, 0.0000167400000000, -0.0000930000000000 ] - [ 0.0008597100000000, -0.0004043200000000, 0.0001831400000000 ] - [ -0.0005571900000000, 0.0000344900000000, -0.0003619600000000 ] - [ -0.0004122300000000, -0.0002113500000000, 0.0009806000000000 ] - [ -0.0003886500000000, -0.0001313300000000, -0.0002213100000000 ] - [ 0.0004046400000000, -0.0000025800000000, -0.0002436600000000 ] - [ 0.0003134700000000, -0.0001240200000000, 0.0009338500000000 ] - [ 0.0005495300000000, 0.0000632200000000, -0.0003906600000000 ] - [ -0.0008474600000000, -0.0003800800000000, 0.0001853900000000 ] - [ 0.0001535000000000, 0.0001869000000000, -0.0000923100000000 ] - [ 0.0000904300000000, -0.0000670600000000, 0.0001269800000000 ] - [ -0.0001609500000000, 0.0001410700000000, 0.0001171100000000 ] - [ -0.0002236100000000, -0.0001285300000000, -0.0000951900000000 ] - [ 0.0008219200000000, 0.0002823100000000, 0.0001968000000000 ] - [ -0.0006991700000000, 0.0000724200000000, -0.0004422700000000 ] - [ -0.0003811700000000, 0.0002510300000000, 0.0009536900000000 ] - [ -0.0004432200000000, -0.0000362500000000, -0.0002280200000000 ] - [ 0.0004776200000000, 0.0001968100000000, -0.0001973800000000 ] - [ 0.0003277500000000, -0.0001976300000000, 0.0008951100000000 ] - [ 0.0007695700000000, -0.0002678200000000, -0.0004380000000000 ] - [ -0.0009895200000000, 0.0005446300000000, 0.0002213400000000 ] - [ 0.0002842600000000, 0.0000068600000000, -0.0001429900000000 ] - [ 0.0002458200000000, -0.0000042600000000, 0.0001561800000000 ] - [ -0.0005115600000000, 0.0001402100000000, 0.0001131800000000 ] - [ -0.0003684200000000, 0.0008803600000000, -0.0003007300000000 ] - [ 0.0011147000000000, -0.0000329500000000, 0.0003451900000000 ] - [ -0.0015237300000000, 0.0002044500000000, -0.0004887900000000 ] - [ -0.0005324700000000, -0.0002084600000000, 0.0009789800000000 ] - [ 0.0009612700000000, 0.0005447700000000, -0.0002505400000000 ] - [ 0.0005618300000000, -0.0002474700000000, -0.0000458500000000 ] - [ -0.0007451600000000, 0.0019054500000000, 0.0018300800000000 ] - [ 0.0019145200000000, 0.0003557600000000, -0.0017144800000000 ] - [ -0.0015385000000000, -0.0007521400000000, -0.0008918800000000 ] - [ 0.0014173800000000, -0.0011131700000000, 0.0001532200000000 ] - [ 0.0009367200000000, -0.0002424100000000, 0.0012366300000000 ] - [ -0.0001438000000000, -0.0001633300000000, 0.0001850800000000 ] - [ -0.0000698200000000, -0.0005254600000000, -0.0000826100000000 ] - [ 0.0007452800000000, 0.0001869300000000, 0.0001747100000000 ] - [ -0.0006226400000000, -0.0004255700000000, -0.0004376700000000 ] - [ -0.0003026200000000, -0.0002838500000000, 0.0008870100000000 ] - [ -0.0003348100000000, -0.0001331400000000, -0.0002829900000000 ] - [ 0.0003148500000000, -0.0002010400000000, -0.0002968300000000 ] - [ 0.0001737000000000, -0.0002049900000000, 0.0008787500000000 ] - [ 0.0005070400000000, -0.0003722400000000, -0.0004239600000000 ] - [ -0.0007777400000000, 0.0001281500000000, 0.0001795000000000 ] - [ -0.0000013200000000, -0.0006022500000000, -0.0000886900000000 ] - [ 0.0000586100000000, -0.0001710500000000, 0.0001808800000000 ] - [ -0.0000326500000000, -0.0001093500000000, 0.0001019400000000 ] - [ -0.0001744300000000, 0.0000325100000000, -0.0000893200000000 ] - [ 0.0007613000000000, -0.0004216300000000, 0.0001853400000000 ] - [ -0.0004284400000000, -0.0000107500000000, -0.0003684200000000 ] - [ -0.0001694500000000, -0.0000944000000000, 0.0008887000000000 ] - [ -0.0004039600000000, -0.0001642600000000, -0.0002337000000000 ] - [ 0.0002275100000000, -0.0002471600000000, -0.0001638900000000 ] - [ 0.0003052100000000, -0.0002134600000000, 0.0009478300000000 ] - [ 0.0004317700000000, -0.0000578400000000, -0.0003292100000000 ] - [ -0.0007786800000000, -0.0004529600000000, 0.0001879100000000 ] - [ 0.0002300700000000, -0.0002137900000000, -0.0001027900000000 ] - [ 0.0000456300000000, -0.0001821400000000, 0.0000717300000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003260400000000, 0.0007219100000000, -0.0004171200000000 ] - [ 0.0008156100000000, 0.0001518600000000, -0.0004739700000000 ] - [ 0.0000130100000000, -0.0004728600000000, -0.0003875100000000 ] - [ 0.0000452800000000, -0.0001401800000000, -0.0004449300000000 ] - [ 0.0004545200000000, -0.0003446000000000, -0.0004817000000000 ] - [ -0.0041120300000000, 0.0028012400000000, -0.0015065000000000 ] - [ 0.0000212000000000, 0.0000475500000000, -0.0004840800000000 ] - [ -0.0000547100000000, -0.0002569600000000, -0.0004680600000000 ] - [ 0.0002854500000000, -0.0002211600000000, 0.0001355900000000 ] - [ -0.0001881300000000, -0.0001455400000000, 0.0001994800000000 ] - [ -0.0928677500000000, 0.0819508500000000, 0.1063564800000000 ] - [ -0.0001164200000000, -0.0005498700000000, -0.0011258800000000 ] - [ -0.0003426200000000, -0.0000736800000000, -0.0000587900000000 ] - [ 0.0003010400000000, -0.0002962400000000, 0.0002852700000000 ] - [ -0.0007118900000000, -0.0006059300000000, 0.0006057200000000 ] - [ -0.0017450600000000, 0.0016488000000000, 0.0002193700000000 ] - [ 0.0000127200000000, -0.0002990200000000, -0.0006266600000000 ] - [ -0.0001180700000000, 0.0000471200000000, 0.0002443600000000 ] - [ -0.0001911700000000, 0.0002782000000000, -0.0001676300000000 ] - [ 0.0004797700000000, 0.0010137300000000, 0.0002566100000000 ] - [ 0.0003020400000000, 0.0001376400000000, 0.0000899400000000 ] - [ 0.0009878400000000, -0.0003135100000000, -0.0001046300000000 ] - [ 0.0000860100000000, 0.0001125900000000, 0.0001884900000000 ] - [ 0.0001775300000000, 0.0003607200000000, -0.0008407300000000 ] - [ -0.0002305600000000, 0.0000521600000000, -0.0000425200000000 ] - [ 0.0003540000000000, 0.0003428900000000, 0.0003089700000000 ] - [ -0.0001282900000000, 0.0002305700000000, 0.0003023700000000 ] - [ 0.0009411900000000, 0.0001298100000000, -0.0001813200000000 ] - [ 0.0000476100000000, 0.0002995700000000, -0.0006142500000000 ] - [ 0.0000024800000000, -0.0001413800000000, 0.0003733700000000 ] - [ -0.0001451300000000, -0.0002889600000000, -0.0001669800000000 ] - [ -0.0001728300000000, 0.0002699200000000, 0.0002585600000000 ] - [ 0.0000276300000000, -0.0003874100000000, 0.0004099600000000 ] - [ 0.0001470300000000, 0.0002504400000000, -0.0001527200000000 ] - [ 0.0000224700000000, 0.0000611300000000, 0.0003028800000000 ] - [ -0.0000451500000000, -0.0003307600000000, -0.0006342600000000 ] - [ -0.0002599100000000, -0.0005628100000000, -0.0002050800000000 ] - [ 0.0084737800000000, -0.0121578900000000, -0.0142058300000000 ] - [ -0.0003790000000000, -0.0003734700000000, 0.0003241500000000 ] - [ 0.0002012300000000, -0.0000697600000000, -0.0000412800000000 ] - [ 0.0000337000000000, -0.0010425200000000, 0.0001006600000000 ] - [ -0.0001180800000000, -0.0000596500000000, 0.0001521300000000 ] - [ 0.0004538800000000, 0.0000757400000000, -0.0002704400000000 ] - [ -0.0003230600000000, -0.0001846700000000, 0.0000921100000000 ] - [ 0.0004593800000000, -0.0000180800000000, -0.0001059400000000 ] - [ 0.0002038100000000, -0.0003810900000000, -0.0002324500000000 ] - [ -0.0000015400000000, -0.0001927100000000, 0.0004038900000000 ] - [ -0.0000218200000000, 0.0001922000000000, -0.0005142000000000 ] - [ 0.0000571500000000, 0.0000113700000000, -0.0000210900000000 ] - [ 0.0003270800000000, 0.0001705900000000, 0.0002608000000000 ] - [ -0.0002805900000000, 0.0001827700000000, 0.0002510300000000 ] - [ 0.0002540800000000, 0.0000121900000000, -0.0000462600000000 ] - [ 0.0000564700000000, 0.0001807100000000, -0.0005145000000000 ] - [ 0.0001165500000000, -0.0001542700000000, 0.0004290800000000 ] - [ -0.0001510500000000, -0.0003587400000000, -0.0002153100000000 ] - [ -0.0003307500000000, 0.0001177900000000, 0.0000548000000000 ] - [ 0.0003559900000000, -0.0001424400000000, 0.0000501000000000 ] - [ 0.0002803200000000, 0.0003840400000000, -0.0002379100000000 ] - [ 0.0001308800000000, 0.0001287800000000, 0.0003262000000000 ] - [ 0.0000347900000000, -0.0002264000000000, -0.0005427600000000 ] - [ -0.0001614200000000, -0.0000571900000000, -0.0000340200000000 ] - [ 0.0003388200000000, -0.0003102300000000, 0.0003004300000000 ] - [ -0.0002015400000000, -0.0001963300000000, 0.0002368700000000 ] - [ 0.0006529900000000, -0.0000501000000000, -0.0000903300000000 ] - [ 0.0000336700000000, -0.0003067000000000, -0.0006380400000000 ] - [ 0.0000280100000000, 0.0000744300000000, 0.0003339500000000 ] - [ -0.0001579200000000, 0.0002545600000000, -0.0001524000000000 ] - [ -0.0001620000000000, -0.0002341400000000, 0.0002386700000000 ] - [ 0.0003805200000000, 0.0000880200000000, -0.0000020900000000 ] - [ 0.0003366700000000, -0.0002087900000000, -0.0000096300000000 ] - [ 0.0000859900000000, -0.0001968500000000, 0.0003870800000000 ] - [ 0.0001674500000000, 0.0004981900000000, -0.0009356900000000 ] - [ -0.0001999900000000, -0.0000349800000000, -0.0000534900000000 ] - [ 0.0002625700000000, 0.0000752000000000, 0.0002231900000000 ] - [ 0.0011318000000000, 0.0005554800000000, 0.0002427000000000 ] - [ 0.0009514300000000, -0.0000228700000000, 0.0001567100000000 ] - [ 0.0000143200000000, 0.0000620400000000, -0.0002918500000000 ] - [ 0.0000144400000000, -0.0001880600000000, 0.0004169200000000 ] - [ -0.0002914000000000, -0.0005077300000000, -0.0003615600000000 ] - [ -0.0005284100000000, -0.0005087800000000, 0.0005692500000000 ] - [ 0.0004229000000000, -0.0001114300000000, -0.0000180700000000 ] - [ 0.0002025600000000, 0.0002790900000000, -0.0001748600000000 ] - [ 0.0000418900000000, 0.0000697500000000, 0.0002967700000000 ] - [ -0.0000045000000000, -0.0002788000000000, -0.0006157500000000 ] - [ -0.0000158000000000, 0.0000157400000000, -0.0000243600000000 ] - [ 0.0003817700000000, -0.0001954900000000, 0.0002706500000000 ] - [ -0.0002787000000000, -0.0002499800000000, 0.0002720700000000 ] - [ 0.0002823300000000, -0.0000586900000000, -0.0000492800000000 ] - [ 0.0001097400000000, -0.0001166000000000, -0.0004223300000000 ] - [ 0.0000277400000000, 0.0001531500000000, 0.0003992700000000 ] - [ -0.0001032200000000, 0.0004679800000000, -0.0002892700000000 ] - [ -0.0003242800000000, -0.0001686300000000, 0.0000852000000000 ] - [ 0.0003679000000000, 0.0002552100000000, 0.0000642200000000 ] - [ 0.0002093100000000, -0.0003765800000000, -0.0002328000000000 ] - [ -0.0000015200000000, -0.0001350900000000, 0.0003739400000000 ] - [ -0.0000175700000000, 0.0001865100000000, -0.0005117700000000 ] - [ -0.0004863100000000, 0.0001792000000000, -0.0000936000000000 ] - [ 0.0002540600000000, 0.0002004100000000, 0.0002535700000000 ] - [ -0.0002754700000000, 0.0001680700000000, 0.0002474800000000 ] - [ 0.0002185200000000, 0.0000185400000000, -0.0000442900000000 ] - [ -0.0000178100000000, 0.0002178600000000, -0.0005602500000000 ] - [ 0.0001124400000000, 0.0014373700000000, -0.0003170600000000 ] - [ -0.0002501500000000, -0.0003736700000000, -0.0002217200000000 ] - [ -0.0003615000000000, 0.0001051400000000, 0.0000265400000000 ] - [ -0.0006442100000000, -0.0012359000000000, -0.0001932900000000 ] - [ -0.0004366800000000, 0.0016922300000000, 0.0005620900000000 ] - [ -0.0005323800000000, 0.0005693200000000, -0.0001298300000000 ] - [ 0.0013456900000000, 0.0012219900000000, -0.0001479500000000 ] - [ -0.0017749200000000, -0.0005723000000000, -0.0002380800000000 ] - [ 0.0003880300000000, -0.0010188600000000, -0.0001684200000000 ] - [ 0.0010459900000000, -0.0006763700000000, -0.0006803200000000 ] - [ 0.0005267300000000, 0.0003719400000000, -0.0001031800000000 ] - [ -0.0002157600000000, -0.0007011900000000, -0.0001543100000000 ] - [ 0.0018452200000000, -0.0011164200000000, 0.0002008800000000 ] - [ -0.0002474700000000, 0.0002220400000000, -0.0001004600000000 ] - [ 0.0027766500000000, -0.0099396900000000, -0.0004826800000000 ] - [ 0.0001738000000000, -0.0005735100000000, -0.0001852900000000 ] - [ 0.0004798900000000, -0.0008408100000000, -0.0001484600000000 ] - [ -0.0002968600000000, 0.0013925400000000, -0.0001216700000000 ] - [ 0.0002859600000000, 0.0003607400000000, -0.0001216800000000 ] - [ 0.0016510000000000, 0.0013104400000000, -0.0010768500000000 ] - [ 0.0017594300000000, 0.0061053100000000, 0.0073237100000000 ] - [ 0.0009049900000000, 0.0004026200000000, 0.0002074000000000 ] - [ 0.0015636600000000, 0.0018646000000000, 0.0002661300000000 ] - [ 0.0001819900000000, 0.0003691400000000, 0.0010123700000000 ] - [ 0.0818752700000000, -0.0737893300000000, -0.0980978100000000 ] - [ 0.0008128200000000, 0.0001857300000000, -0.0004531600000000 ] - [ 0.0003421900000000, 0.0000425900000000, 0.0009253400000000 ] - [ 0.0006679200000000, -0.0001439500000000, -0.0004297800000000 ] - [ -0.0003813100000000, -0.0015776700000000, 0.0002472700000000 ] - [ 0.0002458000000000, -0.0003224700000000, -0.0000289900000000 ] - [ 0.0001709500000000, 0.0000038400000000, 0.0001355900000000 ] - [ -0.0009716300000000, -0.0009351000000000, -0.0010689100000000 ] - [ -0.0001774100000000, -0.0005971800000000, -0.0001572700000000 ] - [ 0.0008352700000000, -0.0003251500000000, 0.0001877900000000 ] - [ -0.0007226400000000, -0.0000668000000000, -0.0004965200000000 ] - [ -0.0009019700000000, 0.0000732200000000, 0.0010163000000000 ] - [ -0.0004670700000000, -0.0002444300000000, -0.0001662100000000 ] - [ 0.0003464600000000, 0.0001106300000000, -0.0002591100000000 ] - [ 0.0002041300000000, -0.0000016000000000, 0.0009032900000000 ] - [ 0.0004842000000000, 0.0001451800000000, -0.0004053000000000 ] - [ -0.0014350300000000, -0.0004624200000000, 0.0002859000000000 ] - [ 0.0000671000000000, 0.0003827400000000, -0.0000968800000000 ] - [ 0.0000513700000000, 0.0000262800000000, 0.0001411400000000 ] - [ -0.0000357300000000, 0.0000538600000000, 0.0001141500000000 ] - [ -0.0001300000000000, -0.0001526600000000, -0.0000981100000000 ] - [ 0.0015680500000000, 0.0013183200000000, 0.0008848700000000 ] - [ -0.0004386400000000, -0.0000578700000000, -0.0003828200000000 ] - [ -0.0002023600000000, 0.0000119700000000, 0.0009048200000000 ] - [ -0.0003526900000000, 0.0000606700000000, -0.0002290000000000 ] - [ 0.0004900700000000, 0.0002134900000000, -0.0001528300000000 ] - [ -0.0000565600000000, -0.0001843900000000, 0.0012631600000000 ] - [ -0.0007076800000000, 0.0016753400000000, -0.0004860300000000 ] - [ -0.0007774900000000, 0.0003870900000000, 0.0001976000000000 ] - [ 0.0001557400000000, 0.0005078000000000, -0.0000157500000000 ] - [ -0.0001164900000000, 0.0002595400000000, 0.0002835400000000 ] - [ -0.0001300300000000, 0.0001396100000000, 0.0001815700000000 ] - [ -0.0000555600000000, 0.0005857000000000, -0.0000853600000000 ] - [ 0.0004714700000000, 0.0000178700000000, 0.0001535400000000 ] - [ -0.0006179600000000, 0.0003570800000000, -0.0004425400000000 ] - [ -0.0002937500000000, 0.0002119000000000, 0.0008922700000000 ] - [ -0.0004058900000000, 0.0001859400000000, -0.0002931500000000 ] - [ 0.0000198400000000, 0.0000573400000000, -0.0003078100000000 ] - [ 0.0001993100000000, 0.0002651600000000, 0.0008847700000000 ] - [ 0.0001542100000000, 0.0003549400000000, -0.0003065000000000 ] - [ -0.0008274200000000, -0.0001968000000000, 0.0001916400000000 ] - [ -0.0001600300000000, 0.0003674200000000, -0.0001123100000000 ] - [ -0.0001287800000000, 0.0000672900000000, 0.0001691000000000 ] - [ -0.0004966900000000, -0.0001535000000000, 0.0001412700000000 ] - [ -0.0003857300000000, -0.0005166100000000, -0.0000507900000000 ] - [ 0.0007324700000000, 0.0003008000000000, 0.0001889900000000 ] - [ -0.0012271300000000, -0.0002894900000000, -0.0005856300000000 ] - [ -0.0004813500000000, -0.0000816200000000, 0.0009075300000000 ] - [ -0.0006519100000000, -0.0001433600000000, -0.0002659600000000 ] - [ 0.0001984200000000, -0.0000054100000000, -0.0002059200000000 ] - [ 0.0002727700000000, 0.0000219200000000, 0.0009229000000000 ] - [ 0.0004078700000000, -0.0000957000000000, -0.0003545400000000 ] - [ -0.0012600200000000, 0.0004031700000000, 0.0002221500000000 ] - [ 0.0000738600000000, -0.0001243400000000, -0.0001197500000000 ] - [ 0.0000125300000000, 0.0000667300000000, 0.0001211900000000 ] - [ -0.0006317400000000, -0.0000025300000000, 0.0000001700000000 ] - [ -0.0003915700000000, 0.0006206600000000, -0.0001173100000000 ] - [ 0.0007179400000000, -0.0001061700000000, 0.0001970100000000 ] - [ -0.0019438600000000, 0.0003983200000000, -0.0004716900000000 ] - [ -0.0002359500000000, -0.0004323200000000, 0.0009790000000000 ] - [ -0.0005019400000000, 0.0003128600000000, -0.0002560200000000 ] - [ 0.0003466900000000, 0.0001684600000000, -0.0002896700000000 ] - [ 0.0001888600000000, 0.0008089200000000, 0.0008165400000000 ] - [ 0.0006709700000000, 0.0005557100000000, -0.0005196200000000 ] - [ -0.0015619200000000, 0.0000188700000000, 0.0002078400000000 ] - [ 0.0000650700000000, 0.0006321600000000, -0.0000757600000000 ] - [ 0.0001967600000000, 0.0002566800000000, 0.0002238600000000 ] - [ -0.0001378400000000, 0.0000285400000000, 0.0001318600000000 ] - [ -0.0001803800000000, -0.0002013600000000, -0.0000888600000000 ] - [ 0.0005395900000000, 0.0001915400000000, 0.0001798000000000 ] - [ -0.0006092400000000, -0.0001607100000000, -0.0003998200000000 ] - [ -0.0003873700000000, 0.0000006700000000, 0.0009309000000000 ] - [ -0.0004156800000000, 0.0000473400000000, -0.0002430700000000 ] - [ 0.0002986000000000, -0.0000555800000000, -0.0002861600000000 ] - [ -0.0000606500000000, -0.0004290800000000, 0.0008733300000000 ] - [ 0.0003722400000000, -0.0004392000000000, -0.0004330800000000 ] - [ -0.0008441200000000, 0.0003082700000000, 0.0001974900000000 ] - [ 0.0000030400000000, -0.0005610500000000, -0.0000889400000000 ] - [ -0.0000232700000000, -0.0002377800000000, 0.0002083700000000 ] - [ -0.0001242200000000, 0.0001046800000000, 0.0001622500000000 ] - [ -0.0000903500000000, 0.0004132200000000, -0.0000931800000000 ] - [ 0.0008936800000000, -0.0004988400000000, 0.0002318000000000 ] - [ -0.0005853300000000, 0.0003406500000000, -0.0004219800000000 ] - [ -0.0003018600000000, 0.0002364900000000, 0.0008950500000000 ] - [ -0.0003206200000000, 0.0000808900000000, -0.0002554600000000 ] - [ -0.0002768500000000, -0.0016764400000000, -0.0007726800000000 ] - [ 0.0003769400000000, 0.0001537700000000, 0.0009130900000000 ] - [ 0.0009115600000000, 0.0001248000000000, -0.0004202200000000 ] - [ -0.0007717100000000, -0.0001793400000000, 0.0001920200000000 ] - [ 0.0008692200000000, -0.0005166800000000, 0.0003726500000000 ] - [ 0.0005092700000000, 0.0000457400000000, -0.0000125900000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003268600000000, -0.0007177800000000, -0.0004942700000000 ] - [ -0.0008164300000000, -0.0001566100000000, -0.0004367700000000 ] - [ -0.0000143800000000, 0.0004770800000000, -0.0005239100000000 ] - [ -0.0000451300000000, 0.0001416500000000, -0.0004656400000000 ] - [ -0.0004543500000000, 0.0003466700000000, -0.0004285300000000 ] - [ 0.0041609800000000, -0.0027997600000000, 0.0006361600000000 ] - [ -0.0000202500000000, -0.0000471400000000, -0.0004259400000000 ] - [ 0.0000547600000000, 0.0002587400000000, -0.0004422900000000 ] - [ 0.0003840500000000, -0.0000666000000000, -0.0000053500000000 ] - [ 0.0005653200000000, 0.0007868500000000, -0.0005881300000000 ] - [ 0.0942649400000000, -0.0797201900000000, -0.1025663300000000 ] - [ 0.0000719000000000, 0.0000566500000000, -0.0000185700000000 ] - [ -0.0001343800000000, -0.0000055900000000, -0.0000306300000000 ] - [ 0.0003000900000000, -0.0001852900000000, 0.0002591400000000 ] - [ 0.0001108200000000, 0.0001253300000000, -0.0000627100000000 ] - [ 0.0022064600000000, -0.0017329200000000, -0.0003087300000000 ] - [ 0.0000312200000000, -0.0001946300000000, -0.0005200200000000 ] - [ 0.0000926100000000, 0.0001823100000000, 0.0004493100000000 ] - [ -0.0001882400000000, 0.0003652700000000, -0.0002227400000000 ] - [ -0.0011422900000000, -0.0012896200000000, -0.0001253700000000 ] - [ 0.0003673900000000, 0.0001505500000000, 0.0000403300000000 ] - [ -0.0005995700000000, -0.0003329700000000, -0.0002846600000000 ] - [ -0.0000594300000000, -0.0003400800000000, 0.0005041100000000 ] - [ -0.0002224500000000, 0.0001310700000000, -0.0003083400000000 ] - [ -0.0002467400000000, 0.0000276300000000, -0.0000470500000000 ] - [ 0.0002477900000000, 0.0001403100000000, 0.0002361100000000 ] - [ -0.0004733000000000, 0.0002496500000000, 0.0002425500000000 ] - [ -0.0004596100000000, -0.0000507000000000, 0.0000902700000000 ] - [ -0.0000034800000000, 0.0001956800000000, -0.0005343400000000 ] - [ -0.0000288700000000, -0.0000864600000000, 0.0003185700000000 ] - [ -0.0002333700000000, -0.0003527500000000, -0.0002221900000000 ] - [ -0.0004961900000000, 0.0000183100000000, -0.0001275200000000 ] - [ 0.0006442100000000, 0.0001014100000000, -0.0002814900000000 ] - [ 0.0002322800000000, 0.0003929000000000, -0.0002374600000000 ] - [ 0.0000034200000000, 0.0001679600000000, 0.0003903700000000 ] - [ 0.0000012300000000, -0.0001628400000000, -0.0005125900000000 ] - [ -0.0002154900000000, 0.0004909000000000, 0.0001188600000000 ] - [ -0.0080207900000000, 0.0113010100000000, 0.0145760000000000 ] - [ -0.0002220200000000, -0.0001080000000000, 0.0002202100000000 ] - [ 0.0002757900000000, -0.0000093900000000, -0.0000483500000000 ] - [ 0.0000101300000000, 0.0005460900000000, -0.0012471800000000 ] - [ 0.0000928800000000, 0.0002899900000000, 0.0005421900000000 ] - [ -0.0008463000000000, 0.0005760500000000, -0.0001036000000000 ] - [ -0.0003467000000000, -0.0001026900000000, 0.0000376000000000 ] - [ 0.0002080200000000, 0.0003081600000000, 0.0002401100000000 ] - [ 0.0001747300000000, -0.0002606900000000, -0.0001567900000000 ] - [ 0.0000277700000000, -0.0000349200000000, 0.0002881200000000 ] - [ -0.0000223200000000, 0.0003031300000000, -0.0006344100000000 ] - [ -0.0005370800000000, 0.0000681800000000, -0.0000684300000000 ] - [ 0.0002737500000000, 0.0003118300000000, 0.0002836600000000 ] - [ -0.0003210100000000, 0.0003001500000000, 0.0002937800000000 ] - [ 0.0002230600000000, 0.0000676900000000, -0.0000433200000000 ] - [ -0.0000126500000000, 0.0003143200000000, -0.0006336700000000 ] - [ -0.0001422900000000, -0.0000756600000000, 0.0002654100000000 ] - [ -0.0002280600000000, -0.0002834900000000, -0.0001742500000000 ] - [ -0.0003388300000000, 0.0001703000000000, 0.0000752200000000 ] - [ 0.0003138300000000, -0.0001449000000000, 0.0000794000000000 ] - [ 0.0000988000000000, 0.0002588900000000, -0.0001520600000000 ] - [ -0.0001054900000000, 0.0000995200000000, 0.0003672800000000 ] - [ -0.0000787700000000, -0.0002674700000000, -0.0006041600000000 ] - [ -0.0003160000000000, -0.0000221500000000, -0.0000556000000000 ] - [ 0.0002623900000000, -0.0001712300000000, 0.0002439400000000 ] - [ -0.0003996500000000, -0.0002855100000000, 0.0003074600000000 ] - [ -0.0001769700000000, -0.0000297600000000, 0.0000009100000000 ] - [ 0.0000104300000000, -0.0001871100000000, -0.0005088800000000 ] - [ -0.0000536200000000, 0.0001546600000000, 0.0003594000000000 ] - [ -0.0002211900000000, 0.0003887100000000, -0.0002378300000000 ] - [ -0.0005077000000000, -0.0000536900000000, -0.0001085500000000 ] - [ 0.0002890700000000, 0.0002000600000000, 0.0001321900000000 ] - [ 0.0000416000000000, -0.0004336400000000, -0.0003809500000000 ] - [ -0.0000594100000000, -0.0000312300000000, 0.0003052300000000 ] - [ -0.0002127300000000, -0.0000052100000000, -0.0002091900000000 ] - [ -0.0002769400000000, 0.0001146600000000, -0.0000360100000000 ] - [ 0.0003393000000000, 0.0004080500000000, 0.0003219900000000 ] - [ -0.0017512700000000, -0.0000762800000000, 0.0003008800000000 ] - [ -0.0004747500000000, 0.0001046800000000, -0.0002493000000000 ] - [ 0.0000298300000000, 0.0004325900000000, -0.0008559000000000 ] - [ -0.0000407100000000, -0.0000397900000000, 0.0002749800000000 ] - [ -0.0000880400000000, -0.0001340300000000, -0.0000282800000000 ] - [ -0.0001326700000000, 0.0007935700000000, -0.0004377000000000 ] - [ 0.0002458900000000, -0.0001772800000000, 0.0001495700000000 ] - [ 0.0001761900000000, 0.0003636500000000, -0.0002148400000000 ] - [ -0.0000159400000000, 0.0001592100000000, 0.0003962900000000 ] - [ -0.0000396200000000, -0.0002155700000000, -0.0005318800000000 ] - [ -0.0004609200000000, -0.0000958000000000, -0.0000647800000000 ] - [ 0.0002203200000000, -0.0002894200000000, 0.0002751800000000 ] - [ -0.0003228500000000, -0.0002324500000000, 0.0002727500000000 ] - [ 0.0001949700000000, -0.0000206800000000, -0.0000403600000000 ] - [ -0.0000659800000000, -0.0003801300000000, -0.0007280800000000 ] - [ -0.0000536400000000, 0.0000753000000000, 0.0002934800000000 ] - [ -0.0002753100000000, 0.0001721000000000, -0.0000986000000000 ] - [ -0.0003452300000000, -0.0001188500000000, 0.0000446300000000 ] - [ 0.0003017100000000, 0.0000316200000000, 0.0000657900000000 ] - [ 0.0001695400000000, -0.0002654300000000, -0.0001566200000000 ] - [ 0.0000278900000000, -0.0000929800000000, 0.0003183900000000 ] - [ -0.0000263900000000, 0.0003085000000000, -0.0006364200000000 ] - [ 0.0000124700000000, -0.0001008400000000, 0.0000048800000000 ] - [ 0.0003482100000000, 0.0002830100000000, 0.0002916600000000 ] - [ -0.0003258300000000, 0.0003145500000000, 0.0002971000000000 ] - [ 0.0002592100000000, 0.0000613600000000, -0.0000454000000000 ] - [ 0.0000622400000000, 0.0002775700000000, -0.0005886100000000 ] - [ -0.0001291300000000, -0.0016790800000000, 0.0010182700000000 ] - [ -0.0001278600000000, -0.0002676300000000, -0.0001671700000000 ] - [ -0.0003078000000000, 0.0001831800000000, 0.0001038100000000 ] - [ -0.0001996300000000, -0.0000482600000000, -0.0000692500000000 ] - [ 0.0012714200000000, -0.0029967700000000, -0.0008014900000000 ] - [ -0.0003114800000000, 0.0007218000000000, -0.0001334300000000 ] - [ -0.0005020700000000, 0.0000633800000000, -0.0001165000000000 ] - [ 0.0009380300000000, -0.0007027100000000, -0.0000248200000000 ] - [ 0.0004544500000000, -0.0002650600000000, -0.0000942700000000 ] - [ -0.0019063800000000, 0.0019706400000000, 0.0004111000000000 ] - [ 0.0003164200000000, 0.0009184400000000, -0.0001601300000000 ] - [ -0.0006269100000000, -0.0005837100000000, -0.0001083400000000 ] - [ -0.0010073100000000, -0.0001664100000000, -0.0004693100000000 ] - [ -0.0005958900000000, 0.0010680800000000, -0.0001626400000000 ] - [ -0.0019705000000000, 0.0113202500000000, 0.0002146100000000 ] - [ -0.0010206900000000, -0.0007170000000000, -0.0000777200000000 ] - [ 0.0003637300000000, -0.0004441400000000, -0.0001148400000000 ] - [ -0.0005454200000000, -0.0001122300000000, -0.0001419300000000 ] - [ 0.0005588000000000, 0.0009305600000000, -0.0001419100000000 ] - [ -0.0018700300000000, -0.0013818900000000, 0.0013815900000000 ] - [ -0.0020384900000000, -0.0068696800000000, -0.0076779800000000 ] - [ 0.0006996900000000, 0.0001308600000000, 0.0001651500000000 ] - [ -0.0026977800000000, -0.0023470000000000, -0.0010842100000000 ] - [ -0.0007810400000000, -0.0005472700000000, 0.0008059400000000 ] - [ -0.0837508100000000, 0.0721230900000000, 0.0947840000000000 ] - [ -0.0000839000000000, -0.0002665600000000, -0.0000638400000000 ] - [ 0.0002579700000000, -0.0002207200000000, 0.0008955600000000 ] - [ 0.0004647400000000, -0.0003232400000000, -0.0003876500000000 ] - [ -0.0012212900000000, 0.0021019300000000, 0.0001288200000000 ] - [ -0.0000173600000000, -0.0003384500000000, -0.0001507200000000 ] - [ 0.0000443400000000, -0.0000834800000000, 0.0001631900000000 ] - [ 0.0007474600000000, 0.0010064600000000, 0.0013498800000000 ] - [ -0.0000501300000000, 0.0012538900000000, -0.0000240300000000 ] - [ 0.0007688600000000, -0.0002096900000000, 0.0001852800000000 ] - [ -0.0004095700000000, 0.0005382400000000, -0.0003230300000000 ] - [ 0.0002989200000000, 0.0001109100000000, 0.0008050900000000 ] - [ -0.0002635200000000, 0.0003210200000000, -0.0003528300000000 ] - [ 0.0003833400000000, -0.0000337000000000, -0.0002598300000000 ] - [ 0.0003953100000000, 0.0001764800000000, 0.0009173800000000 ] - [ 0.0006473700000000, 0.0003189200000000, -0.0004116400000000 ] - [ -0.0001728600000000, -0.0000716400000000, 0.0000879900000000 ] - [ 0.0001624400000000, 0.0002734000000000, -0.0000818600000000 ] - [ 0.0001635900000000, 0.0000511700000000, 0.0001581300000000 ] - [ -0.0001793500000000, -0.0001328300000000, 0.0001848000000000 ] - [ -0.0000986700000000, -0.0005065100000000, -0.0000816000000000 ] - [ 0.0000297900000000, -0.0007892000000000, -0.0005155600000000 ] - [ -0.0006950400000000, -0.0004094500000000, -0.0004349700000000 ] - [ -0.0003979800000000, -0.0001900700000000, 0.0009159200000000 ] - [ -0.0003762400000000, -0.0001401000000000, -0.0002897300000000 ] - [ 0.0002388700000000, -0.0002941800000000, -0.0003675300000000 ] - [ 0.0006661000000000, 0.0000081800000000, 0.0005206900000000 ] - [ 0.0018539200000000, -0.0021481000000000, -0.0003214200000000 ] - [ -0.0008263300000000, 0.0001459800000000, 0.0001755100000000 ] - [ 0.0000733800000000, -0.0011714400000000, -0.0001623700000000 ] - [ 0.0003412400000000, -0.0003477100000000, 0.0000148300000000 ] - [ -0.0000842800000000, -0.0000623700000000, 0.0001169700000000 ] - [ -0.0001734100000000, 0.0000707000000000, -0.0000932900000000 ] - [ 0.0011374400000000, -0.0005551100000000, 0.0002185300000000 ] - [ -0.0005126400000000, 0.0001071000000000, -0.0003735800000000 ] - [ -0.0003075900000000, -0.0000371300000000, 0.0009287400000000 ] - [ -0.0003229800000000, -0.0001071500000000, -0.0002223300000000 ] - [ 0.0007106600000000, 0.0000246600000000, -0.0002115100000000 ] - [ 0.0004022600000000, -0.0000901800000000, 0.0009356300000000 ] - [ 0.0009831900000000, 0.0001105900000000, -0.0005126700000000 ] - [ -0.0007774200000000, -0.0003369100000000, 0.0001815000000000 ] - [ 0.0003886600000000, 0.0002955900000000, -0.0000670300000000 ] - [ 0.0003461700000000, 0.0000116700000000, 0.0001301100000000 ] - [ 0.0002815900000000, 0.0000750500000000, 0.0001579800000000 ] - [ 0.0001574400000000, -0.0001411900000000, -0.0001288200000000 ] - [ 0.0008724000000000, 0.0002320200000000, 0.0001842100000000 ] - [ 0.0000946300000000, -0.0001783100000000, -0.0002319400000000 ] - [ -0.0001193600000000, -0.0000952700000000, 0.0009128700000000 ] - [ -0.0000772800000000, 0.0000665500000000, -0.0002540300000000 ] - [ 0.0005303000000000, -0.0000739300000000, -0.0003133800000000 ] - [ 0.0003280200000000, -0.0001994400000000, 0.0008975400000000 ] - [ 0.0007250200000000, -0.0003714000000000, -0.0004633500000000 ] - [ -0.0003431000000000, 0.0001308300000000, 0.0001504500000000 ] - [ 0.0001543100000000, -0.0005356500000000, -0.0000593000000000 ] - [ 0.0002026400000000, -0.0001458200000000, 0.0001790400000000 ] - [ 0.0004167500000000, 0.0000804900000000, 0.0003015300000000 ] - [ 0.0001626400000000, 0.0000343800000000, -0.0000617100000000 ] - [ 0.0008857300000000, -0.0004288500000000, 0.0001760200000000 ] - [ 0.0008251200000000, 0.0000629300000000, -0.0003443000000000 ] - [ -0.0003649700000000, 0.0006118500000000, 0.0008402600000000 ] - [ -0.0002278700000000, -0.0002350900000000, -0.0002620100000000 ] - [ 0.0003836100000000, -0.0000909300000000, -0.0002292200000000 ] - [ 0.0004117400000000, -0.0006304600000000, 0.0010047600000000 ] - [ 0.0004603500000000, -0.0000913500000000, -0.0002974300000000 ] - [ -0.0000471100000000, -0.0005518700000000, 0.0001707600000000 ] - [ 0.0001643200000000, 0.0000254100000000, -0.0001029600000000 ] - [ 0.0000180900000000, -0.0001794900000000, 0.0000741100000000 ] - [ -0.0000775000000000, -0.0001070200000000, 0.0001678400000000 ] - [ -0.0000481000000000, -0.0004570800000000, -0.0000906200000000 ] - [ 0.0010653100000000, 0.0003443900000000, 0.0001937200000000 ] - [ -0.0005237000000000, -0.0003059100000000, -0.0004177100000000 ] - [ -0.0002131300000000, -0.0001775100000000, 0.0008895700000000 ] - [ -0.0003129400000000, -0.0001262800000000, -0.0002764500000000 ] - [ 0.0004304100000000, -0.0000220300000000, -0.0002315900000000 ] - [ 0.0006618600000000, 0.0002560000000000, 0.0009475800000000 ] - [ 0.0007580600000000, -0.0000236600000000, -0.0003830600000000 ] - [ -0.0007603600000000, 0.0002249200000000, 0.0001752600000000 ] - [ 0.0002262200000000, -0.0000947000000000, -0.0000908100000000 ] - [ 0.0002377900000000, 0.0001606800000000, 0.0000903000000000 ] - [ -0.0000910600000000, -0.0000271700000000, 0.0001369800000000 ] - [ -0.0001386900000000, 0.0002439300000000, -0.0000863500000000 ] - [ 0.0007090300000000, -0.0000334600000000, 0.0001406600000000 ] - [ -0.0005472900000000, 0.0001244500000000, -0.0003953000000000 ] - [ -0.0002980500000000, -0.0000619700000000, 0.0009259100000000 ] - [ -0.0004104000000000, -0.0000026400000000, -0.0002634700000000 ] - [ 0.0009943900000000, 0.0017649000000000, 0.0002580600000000 ] - [ 0.0002227900000000, 0.0000209000000000, 0.0009077400000000 ] - [ 0.0002166700000000, 0.0003388400000000, -0.0003962700000000 ] - [ -0.0008333400000000, -0.0003551500000000, 0.0001810200000000 ] - [ -0.0006512100000000, 0.0011737800000000, -0.0005496300000000 ] - [ -0.0002972900000000, 0.0000310600000000, 0.0003115200000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007374100000000, 0.0003211100000000, -0.0006693500000000 ] - [ -0.0003754400000000, -0.0006342900000000, -0.0004525600000000 ] - [ -0.0001848700000000, 0.0006244600000000, -0.0005130800000000 ] - [ 0.0000045700000000, 0.0003888900000000, -0.0004659000000000 ] - [ -0.0006166600000000, 0.0001954700000000, -0.0005045600000000 ] - [ 0.0028421000000000, -0.0028345400000000, 0.0042345500000000 ] - [ 0.0001662300000000, 0.0003222400000000, -0.0004016900000000 ] - [ 0.0000198800000000, 0.0006036900000000, -0.0004422000000000 ] - [ 0.0003872500000000, -0.0000097000000000, -0.0000362400000000 ] - [ 0.0006613900000000, 0.0012212300000000, -0.0009223000000000 ] - [ 0.0797141800000000, -0.1148641900000000, -0.1021500000000000 ] - [ 0.0000561300000000, 0.0001573200000000, -0.0001175100000000 ] - [ -0.0001380300000000, 0.0000492900000000, -0.0000289200000000 ] - [ 0.0002557700000000, -0.0000670300000000, 0.0002170500000000 ] - [ 0.0000601600000000, 0.0002713200000000, 0.0001320900000000 ] - [ 0.0021058900000000, 0.0013251100000000, -0.0007570300000000 ] - [ 0.0000269600000000, -0.0000926400000000, -0.0004141800000000 ] - [ 0.0001613600000000, 0.0002914400000000, 0.0005889200000000 ] - [ -0.0002190500000000, 0.0004688400000000, -0.0002897700000000 ] - [ 0.0005829900000000, -0.0004635300000000, 0.0005740400000000 ] - [ 0.0003509700000000, 0.0002125600000000, 0.0000826700000000 ] - [ 0.0000276000000000, -0.0009571200000000, -0.0006550000000000 ] - [ 0.0000967500000000, -0.0001461500000000, 0.0004267800000000 ] - [ -0.0004094900000000, -0.0002473600000000, -0.0001206400000000 ] - [ -0.0001647100000000, 0.0000524900000000, -0.0000401600000000 ] - [ 0.0003460400000000, 0.0003006600000000, 0.0003001500000000 ] - [ -0.0003017500000000, -0.0001040100000000, 0.0001684400000000 ] - [ 0.0004056800000000, -0.0000780600000000, -0.0001100300000000 ] - [ 0.0000216200000000, 0.0002669100000000, -0.0005879800000000 ] - [ -0.0000414600000000, -0.0000253700000000, 0.0002668000000000 ] - [ -0.0001779100000000, -0.0002902600000000, -0.0001860000000000 ] - [ -0.0003782800000000, 0.0000624100000000, -0.0000087400000000 ] - [ 0.0003920400000000, 0.0000959700000000, 0.0000781700000000 ] - [ 0.0002611500000000, 0.0005125300000000, -0.0003287500000000 ] - [ -0.0000394200000000, 0.0002568300000000, 0.0004780900000000 ] - [ -0.0000102500000000, -0.0000528500000000, -0.0003534800000000 ] - [ -0.0002966300000000, 0.0000911100000000, -0.0000059200000000 ] - [ -0.0172388500000000, 0.0177534500000000, 0.0248905900000000 ] - [ -0.0002283900000000, -0.0000273700000000, 0.0001994600000000 ] - [ 0.0002237000000000, 0.0000422600000000, -0.0000477400000000 ] - [ -0.0002388900000000, -0.0000289700000000, -0.0012748100000000 ] - [ 0.0000540800000000, 0.0002919700000000, 0.0005347000000000 ] - [ -0.0007667000000000, 0.0010893700000000, 0.0004301300000000 ] - [ -0.0003731500000000, -0.0000523400000000, -0.0000093600000000 ] - [ 0.0001712600000000, 0.0002841300000000, 0.0002537300000000 ] - [ 0.0001477000000000, -0.0001735100000000, -0.0001000500000000 ] - [ 0.0000352500000000, 0.0000103000000000, 0.0002459000000000 ] - [ -0.0000242400000000, 0.0003885500000000, -0.0007301200000000 ] - [ -0.0005358600000000, 0.0000440000000000, -0.0000607800000000 ] - [ 0.0002815800000000, 0.0003405400000000, 0.0002945100000000 ] - [ -0.0003478800000000, 0.0003896500000000, 0.0003239500000000 ] - [ 0.0002258000000000, 0.0000988900000000, -0.0000406700000000 ] - [ -0.0000058900000000, 0.0003407200000000, -0.0006633700000000 ] - [ -0.0000537400000000, -0.0002048200000000, 0.0004140600000000 ] - [ -0.0002140500000000, -0.0002657600000000, -0.0001623600000000 ] - [ -0.0003203600000000, 0.0002092800000000, 0.0001089400000000 ] - [ 0.0003448400000000, -0.0001049900000000, 0.0000368700000000 ] - [ 0.0001557100000000, 0.0002639700000000, -0.0001585300000000 ] - [ 0.0000281100000000, -0.0000391300000000, 0.0002160600000000 ] - [ -0.0000390400000000, -0.0002816500000000, -0.0006120900000000 ] - [ -0.0002966000000000, -0.0000020400000000, -0.0000570900000000 ] - [ 0.0002413800000000, -0.0000927800000000, 0.0002176600000000 ] - [ -0.0003648100000000, -0.0002934100000000, 0.0003014900000000 ] - [ 0.0000509300000000, -0.0000621900000000, -0.0000239000000000 ] - [ 0.0000091900000000, -0.0001155200000000, -0.0004315500000000 ] - [ -0.0000530700000000, 0.0001590400000000, 0.0003739100000000 ] - [ -0.0002413700000000, 0.0004591000000000, -0.0002836100000000 ] - [ -0.0004408700000000, -0.0001897900000000, 0.0000194600000000 ] - [ 0.0002674500000000, 0.0002359700000000, 0.0001691900000000 ] - [ 0.0002494300000000, -0.0007556700000000, -0.0003270300000000 ] - [ -0.0002132200000000, -0.0001456700000000, 0.0004445400000000 ] - [ -0.0001860800000000, -0.0003162400000000, -0.0002193500000000 ] - [ -0.0003669900000000, 0.0001583200000000, -0.0000425400000000 ] - [ 0.0002593300000000, 0.0004357900000000, 0.0003032200000000 ] - [ 0.0004561900000000, -0.0009476200000000, -0.0002098900000000 ] - [ -0.0007056600000000, -0.0002018500000000, -0.0000273000000000 ] - [ -0.0000448900000000, 0.0005830500000000, -0.0009297100000000 ] - [ -0.0000882900000000, 0.0000476200000000, 0.0001821700000000 ] - [ -0.0000772700000000, -0.0000481300000000, 0.0000186400000000 ] - [ -0.0010891200000000, 0.0000698000000000, -0.0014384000000000 ] - [ 0.0002814300000000, -0.0001783800000000, 0.0001224100000000 ] - [ 0.0002011100000000, 0.0004238200000000, -0.0002512000000000 ] - [ -0.0000309100000000, 0.0002181900000000, 0.0004474100000000 ] - [ -0.0000273800000000, -0.0001528700000000, -0.0004790600000000 ] - [ -0.0001921600000000, -0.0000830300000000, -0.0000232500000000 ] - [ 0.0003592300000000, -0.0004676500000000, 0.0003460700000000 ] - [ -0.0002724000000000, -0.0001377000000000, 0.0002360600000000 ] - [ 0.0002274000000000, 0.0000029300000000, -0.0000434300000000 ] - [ 0.0000920900000000, -0.0004591900000000, -0.0008001200000000 ] - [ 0.0000260800000000, 0.0001590900000000, 0.0003836500000000 ] - [ -0.0000556400000000, 0.0000904100000000, -0.0000894900000000 ] - [ -0.0003524500000000, -0.0000704400000000, 0.0000175000000000 ] - [ 0.0004670300000000, 0.0001193500000000, -0.0000606200000000 ] - [ 0.0001460700000000, -0.0001795600000000, -0.0001023300000000 ] - [ 0.0000929800000000, 0.0000100000000000, 0.0002100900000000 ] - [ -0.0000302400000000, 0.0003967600000000, -0.0007243000000000 ] - [ 0.0001069500000000, 0.0001211400000000, 0.0000112900000000 ] - [ 0.0004462100000000, 0.0004833800000000, 0.0003831300000000 ] - [ -0.0003634600000000, 0.0004182500000000, 0.0003323000000000 ] - [ 0.0002720400000000, 0.0001065600000000, -0.0000483100000000 ] - [ 0.0000572300000000, 0.0004586600000000, -0.0008360000000000 ] - [ 0.0015371300000000, 0.0008703400000000, -0.0000473100000000 ] - [ -0.0000718200000000, -0.0000772100000000, -0.0000210300000000 ] - [ -0.0002920600000000, 0.0002453500000000, 0.0001445300000000 ] - [ -0.0003675500000000, 0.0006069900000000, -0.0000126700000000 ] - [ 0.0015696000000000, -0.0043643900000000, 0.0009269300000000 ] - [ -0.0002337900000000, 0.0012886800000000, -0.0001897400000000 ] - [ 0.0002780700000000, -0.0000502900000000, -0.0001165600000000 ] - [ -0.0002248500000000, 0.0018248000000000, -0.0002953600000000 ] - [ 0.0003627900000000, 0.0001495700000000, -0.0000595000000000 ] - [ -0.0021105600000000, 0.0015547800000000, 0.0004975800000000 ] - [ 0.0003768500000000, 0.0012264000000000, -0.0001828300000000 ] - [ -0.0004393900000000, -0.0003230000000000, -0.0001008400000000 ] - [ -0.0002691400000000, -0.0014312100000000, -0.0002300500000000 ] - [ -0.0007144800000000, 0.0013467500000000, -0.0001813200000000 ] - [ -0.0055242200000000, 0.0117636500000000, 0.0052234900000000 ] - [ -0.0007242500000000, -0.0008262700000000, -0.0000885900000000 ] - [ 0.0004002700000000, -0.0000144000000000, -0.0000778200000000 ] - [ 0.0002644400000000, 0.0001071100000000, -0.0000596300000000 ] - [ 0.0005214000000000, 0.0015003400000000, -0.0002015800000000 ] - [ 0.0005470700000000, -0.0029517200000000, 0.0005621100000000 ] - [ 0.0048731400000000, 0.0003980500000000, -0.0108959200000000 ] - [ 0.0007189200000000, -0.0000246600000000, 0.0001550800000000 ] - [ -0.0020574500000000, -0.0012347700000000, -0.0015237900000000 ] - [ -0.0007207900000000, -0.0011040100000000, 0.0010313300000000 ] - [ -0.0659375500000000, 0.0911327900000000, 0.0833676900000000 ] - [ -0.0000704400000000, -0.0005305100000000, -0.0002934500000000 ] - [ 0.0002682800000000, -0.0004392100000000, 0.0008692600000000 ] - [ 0.0005326300000000, -0.0005461900000000, -0.0004311200000000 ] - [ -0.0022832200000000, 0.0004532900000000, 0.0006744300000000 ] - [ -0.0001521100000000, -0.0007292500000000, -0.0001353900000000 ] - [ 0.0000743700000000, -0.0002499300000000, 0.0002203300000000 ] - [ -0.0007187100000000, 0.0007988100000000, -0.0001674900000000 ] - [ -0.0001573800000000, 0.0010814100000000, 0.0000292700000000 ] - [ 0.0006907900000000, -0.0003985700000000, 0.0001808000000000 ] - [ -0.0010013200000000, 0.0012621000000000, -0.0008154200000000 ] - [ 0.0003417400000000, 0.0008029800000000, 0.0009477400000000 ] - [ -0.0005446400000000, 0.0000288200000000, -0.0003472100000000 ] - [ 0.0003840200000000, -0.0001711900000000, -0.0002382400000000 ] - [ 0.0002160400000000, 0.0001307900000000, 0.0009350100000000 ] - [ 0.0004741800000000, 0.0001340700000000, -0.0003925400000000 ] - [ -0.0008533300000000, 0.0000242500000000, 0.0002239500000000 ] - [ 0.0001696900000000, 0.0000860500000000, -0.0000863900000000 ] - [ 0.0000640000000000, -0.0000360600000000, 0.0001241400000000 ] - [ -0.0001882100000000, -0.0003005100000000, 0.0002358700000000 ] - [ 0.0000006100000000, -0.0008028400000000, -0.0000796700000000 ] - [ 0.0008327800000000, 0.0001654600000000, 0.0001448500000000 ] - [ -0.0006999500000000, -0.0006229700000000, -0.0004930300000000 ] - [ -0.0002852100000000, -0.0005752300000000, 0.0008533600000000 ] - [ -0.0003220000000000, -0.0003108900000000, -0.0003200200000000 ] - [ 0.0003202100000000, -0.0003750000000000, -0.0003416500000000 ] - [ 0.0009222300000000, 0.0001490500000000, -0.0008401500000000 ] - [ 0.0022633100000000, -0.0018391100000000, -0.0009623700000000 ] - [ -0.0007653500000000, 0.0000239000000000, 0.0001751700000000 ] - [ 0.0002042800000000, -0.0011405200000000, -0.0001647400000000 ] - [ 0.0003786900000000, -0.0002441200000000, -0.0000461700000000 ] - [ -0.0000428700000000, -0.0001815400000000, 0.0000883500000000 ] - [ -0.0001957600000000, -0.0001176000000000, -0.0001057100000000 ] - [ 0.0011908000000000, -0.0005162900000000, 0.0002012900000000 ] - [ -0.0004477500000000, -0.0000618900000000, -0.0003360800000000 ] - [ -0.0003333100000000, -0.0002494000000000, 0.0009544900000000 ] - [ -0.0003097100000000, -0.0001776400000000, -0.0001952300000000 ] - [ 0.0005155100000000, 0.0003898200000000, -0.0002383500000000 ] - [ 0.0004142600000000, -0.0001666300000000, 0.0009442300000000 ] - [ 0.0009896400000000, 0.0000858600000000, -0.0005323400000000 ] - [ -0.0007955700000000, -0.0004311600000000, 0.0001834900000000 ] - [ 0.0002282800000000, 0.0005316400000000, -0.0001062700000000 ] - [ 0.0002923200000000, 0.0000354400000000, 0.0001491100000000 ] - [ 0.0000294900000000, 0.0001116900000000, 0.0001033700000000 ] - [ -0.0001430500000000, 0.0001340200000000, -0.0000971400000000 ] - [ 0.0008349400000000, 0.0001372100000000, 0.0001870200000000 ] - [ -0.0002569600000000, -0.0000967400000000, -0.0003045100000000 ] - [ -0.0002007000000000, -0.0000833900000000, 0.0009185800000000 ] - [ -0.0003204100000000, 0.0003133500000000, -0.0002053500000000 ] - [ 0.0005060200000000, -0.0000662800000000, -0.0003124000000000 ] - [ 0.0003127800000000, -0.0003752400000000, 0.0008739000000000 ] - [ 0.0007588200000000, -0.0005007600000000, -0.0004825200000000 ] - [ -0.0005574200000000, 0.0003437400000000, 0.0001718600000000 ] - [ 0.0001561900000000, -0.0006028700000000, -0.0000544300000000 ] - [ 0.0002349100000000, -0.0002276100000000, 0.0001914200000000 ] - [ 0.0003649400000000, 0.0004586200000000, 0.0002292400000000 ] - [ 0.0003821500000000, 0.0006460600000000, -0.0000960700000000 ] - [ 0.0009801900000000, -0.0004899100000000, 0.0001817300000000 ] - [ 0.0001341000000000, 0.0012286800000000, -0.0001578600000000 ] - [ -0.0003588300000000, 0.0010813800000000, 0.0005911600000000 ] - [ -0.0000015800000000, -0.0001707500000000, -0.0003150900000000 ] - [ 0.0004335000000000, -0.0002498100000000, -0.0001865500000000 ] - [ 0.0006699100000000, -0.0008932800000000, 0.0009149000000000 ] - [ 0.0005469600000000, -0.0002642600000000, -0.0002598800000000 ] - [ 0.0003405000000000, 0.0005727600000000, -0.0006736400000000 ] - [ 0.0002898700000000, -0.0002740600000000, -0.0001029300000000 ] - [ 0.0000675800000000, -0.0003366500000000, 0.0000495500000000 ] - [ -0.0001281700000000, -0.0001954900000000, 0.0001970100000000 ] - [ -0.0000151700000000, -0.0006443400000000, -0.0000891600000000 ] - [ 0.0008355300000000, 0.0004039000000000, 0.0001699500000000 ] - [ -0.0006115500000000, -0.0004472500000000, -0.0004406400000000 ] - [ -0.0002832100000000, -0.0002576800000000, 0.0008794100000000 ] - [ -0.0003050200000000, -0.0002467800000000, -0.0002942200000000 ] - [ 0.0003076100000000, -0.0001533000000000, -0.0002598900000000 ] - [ 0.0003383900000000, 0.0005116800000000, 0.0010059000000000 ] - [ 0.0003416200000000, 0.0000987000000000, -0.0003414300000000 ] - [ -0.0007984900000000, 0.0001025000000000, 0.0001757300000000 ] - [ 0.0000190500000000, -0.0002832800000000, -0.0001055200000000 ] - [ -0.0001155200000000, 0.0001420800000000, 0.0001690200000000 ] - [ -0.0000757000000000, -0.0001575300000000, 0.0000942800000000 ] - [ -0.0002441100000000, -0.0000325200000000, -0.0000783900000000 ] - [ 0.0004613700000000, -0.0003544300000000, 0.0001352200000000 ] - [ -0.0005030900000000, -0.0000622000000000, -0.0003655800000000 ] - [ -0.0002942900000000, -0.0002433500000000, 0.0009434800000000 ] - [ -0.0005200300000000, -0.0002504700000000, -0.0002492300000000 ] - [ -0.0021724100000000, 0.0000236600000000, -0.0005487900000000 ] - [ 0.0002061200000000, -0.0003464800000000, 0.0009723000000000 ] - [ -0.0001133300000000, -0.0004107000000000, -0.0001213500000000 ] - [ -0.0008414200000000, -0.0004945600000000, 0.0001908700000000 ] - [ -0.0002830700000000, -0.0011205300000000, 0.0006170600000000 ] - [ -0.0002005900000000, -0.0004114700000000, -0.0000572100000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007321800000000, -0.0003216700000000, -0.0002459700000000 ] - [ 0.0003695900000000, 0.0006334500000000, -0.0004607700000000 ] - [ 0.0001850800000000, -0.0006206200000000, -0.0004005900000000 ] - [ -0.0000047800000000, -0.0003878700000000, -0.0004481500000000 ] - [ 0.0006128700000000, -0.0001954300000000, -0.0004094600000000 ] - [ -0.0027995500000000, 0.0028322800000000, -0.0050880400000000 ] - [ -0.0001670300000000, -0.0003213200000000, -0.0005116500000000 ] - [ -0.0000198400000000, -0.0006016700000000, -0.0004714600000000 ] - [ 0.0002826500000000, -0.0002779200000000, 0.0001658700000000 ] - [ -0.0002770600000000, -0.0005703100000000, 0.0005244300000000 ] - [ -0.0819638400000000, 0.1141960600000000, 0.1062537500000000 ] - [ -0.0000998800000000, -0.0006508600000000, -0.0010296200000000 ] - [ -0.0003363700000000, -0.0001288300000000, -0.0000607800000000 ] - [ 0.0003459300000000, -0.0004145700000000, 0.0003265000000000 ] - [ -0.0006594800000000, -0.0007511500000000, 0.0004122600000000 ] - [ -0.0016031800000000, -0.0013919400000000, 0.0006570200000000 ] - [ 0.0000175200000000, -0.0004021700000000, -0.0007339100000000 ] - [ -0.0001872800000000, -0.0000620200000000, 0.0001040400000000 ] - [ -0.0001593900000000, 0.0001738800000000, -0.0001002400000000 ] - [ -0.0012484900000000, 0.0001651900000000, -0.0004384500000000 ] - [ 0.0003189500000000, 0.0000755900000000, 0.0000471700000000 ] - [ 0.0003436400000000, 0.0003118600000000, 0.0002616100000000 ] - [ -0.0000698000000000, -0.0000840900000000, 0.0002662000000000 ] - [ 0.0003599900000000, 0.0007386500000000, -0.0010245500000000 ] - [ -0.0003099600000000, 0.0000271700000000, -0.0000496300000000 ] - [ 0.0002555900000000, 0.0001810000000000, 0.0002434000000000 ] - [ -0.0003012900000000, 0.0005854100000000, 0.0003749600000000 ] - [ 0.0000664900000000, 0.0001569100000000, 0.0000208200000000 ] - [ 0.0000226600000000, 0.0002279500000000, -0.0005602500000000 ] - [ 0.0000145100000000, -0.0002033200000000, 0.0004247500000000 ] - [ -0.0002006100000000, -0.0003523300000000, -0.0002040400000000 ] - [ -0.0002921800000000, 0.0002248500000000, 0.0001378200000000 ] - [ 0.0002803200000000, -0.0003823000000000, 0.0000465600000000 ] - [ 0.0001175600000000, 0.0001301400000000, -0.0000611700000000 ] - [ 0.0000663000000000, -0.0000275300000000, 0.0002139400000000 ] - [ -0.0000339800000000, -0.0004419300000000, -0.0007949500000000 ] - [ -0.0001771500000000, -0.0001613200000000, -0.0000813000000000 ] - [ 0.0185169400000000, -0.0185055700000000, -0.0246245300000000 ] - [ -0.0003726700000000, -0.0004538200000000, 0.0003437800000000 ] - [ 0.0002516600000000, -0.0001218900000000, -0.0000421700000000 ] - [ 0.0002896600000000, -0.0004541200000000, 0.0001290100000000 ] - [ -0.0000803200000000, -0.0000615000000000, 0.0001579200000000 ] - [ 0.0003725000000000, -0.0004381000000000, -0.0008055400000000 ] - [ -0.0002964900000000, -0.0002354400000000, 0.0001392100000000 ] - [ 0.0004967900000000, 0.0000061300000000, -0.0001195700000000 ] - [ 0.0002306200000000, -0.0004682800000000, -0.0002894200000000 ] - [ -0.0000079900000000, -0.0002384400000000, 0.0004450000000000 ] - [ -0.0000201000000000, 0.0001072400000000, -0.0004189900000000 ] - [ 0.0000588900000000, 0.0000364100000000, -0.0000292900000000 ] - [ 0.0003199600000000, 0.0001421000000000, 0.0002491500000000 ] - [ -0.0002539000000000, 0.0000928900000000, 0.0002198400000000 ] - [ 0.0002493700000000, -0.0000188300000000, -0.0000492500000000 ] - [ 0.0000501100000000, 0.0001552500000000, -0.0004858100000000 ] - [ 0.0000257700000000, -0.0000235600000000, 0.0002770200000000 ] - [ -0.0001644500000000, -0.0003759200000000, -0.0002271100000000 ] - [ -0.0003492400000000, 0.0000791100000000, 0.0000212500000000 ] - [ 0.0003247000000000, -0.0001831800000000, 0.0000932200000000 ] - [ 0.0002222800000000, 0.0003774900000000, -0.0002307700000000 ] - [ -0.0000017900000000, 0.0002677300000000, 0.0004756500000000 ] - [ -0.0000055600000000, -0.0002142900000000, -0.0005370700000000 ] - [ -0.0001790400000000, -0.0000777400000000, -0.0000328500000000 ] - [ 0.0003600600000000, -0.0003888400000000, 0.0003258200000000 ] - [ -0.0002374800000000, -0.0001894900000000, 0.0002425100000000 ] - [ 0.0004225600000000, -0.0000177900000000, -0.0000657800000000 ] - [ 0.0000351100000000, -0.0003793800000000, -0.0007166000000000 ] - [ 0.0000257900000000, 0.0000697600000000, 0.0003176500000000 ] - [ -0.0001372700000000, 0.0001836000000000, -0.0001063700000000 ] - [ -0.0002293400000000, -0.0000985000000000, 0.0001102900000000 ] - [ 0.0004018500000000, 0.0000524100000000, -0.0000387100000000 ] - [ 0.0001288200000000, 0.0001125800000000, -0.0000631400000000 ] - [ 0.0002384700000000, -0.0000836300000000, 0.0002476900000000 ] - [ 0.0001401900000000, 0.0008102200000000, -0.0009284700000000 ] - [ -0.0001088700000000, -0.0000780400000000, -0.0000473000000000 ] - [ 0.0003417500000000, 0.0000473200000000, 0.0002403900000000 ] - [ -0.0010491400000000, 0.0014324900000000, 0.0007529500000000 ] - [ 0.0011782500000000, 0.0002808800000000, -0.0000622900000000 ] - [ 0.0000882100000000, -0.0000849300000000, -0.0002196900000000 ] - [ 0.0000609500000000, -0.0002758100000000, 0.0005086700000000 ] - [ -0.0003005900000000, -0.0005928700000000, -0.0004077700000000 ] - [ 0.0004102500000000, 0.0002050000000000, 0.0015499300000000 ] - [ 0.0003878200000000, -0.0001097000000000, 0.0000079900000000 ] - [ 0.0001773200000000, 0.0002188800000000, -0.0001388500000000 ] - [ 0.0000576400000000, 0.0000109900000000, 0.0002446300000000 ] - [ -0.0000171200000000, -0.0003420800000000, -0.0006690300000000 ] - [ -0.0002839500000000, 0.0000030200000000, -0.0000666400000000 ] - [ 0.0002421300000000, -0.0000146100000000, 0.0001976200000000 ] - [ -0.0003293200000000, -0.0003440600000000, 0.0003074500000000 ] - [ 0.0002475100000000, -0.0000825900000000, -0.0000465000000000 ] - [ -0.0000477800000000, -0.0000365400000000, -0.0003490000000000 ] - [ -0.0000532400000000, 0.0000698300000000, 0.0003078800000000 ] - [ -0.0003227900000000, 0.0005514400000000, -0.0003001000000000 ] - [ -0.0003173400000000, -0.0002174400000000, 0.0001123300000000 ] - [ 0.0002024500000000, 0.0001688500000000, 0.0001905600000000 ] - [ 0.0002321400000000, -0.0004622700000000, -0.0002871200000000 ] - [ -0.0000660000000000, -0.0002387000000000, 0.0004812600000000 ] - [ -0.0000142200000000, 0.0000990700000000, -0.0004248300000000 ] - [ -0.0005820700000000, -0.0000412300000000, -0.0001013800000000 ] - [ 0.0001553800000000, -0.0000014500000000, 0.0001601700000000 ] - [ -0.0002384800000000, 0.0000643800000000, 0.0002115200000000 ] - [ 0.0002031200000000, -0.0000265900000000, -0.0000415800000000 ] - [ -0.0000125800000000, 0.0000365100000000, -0.0003118400000000 ] - [ -0.0015783700000000, -0.0011024900000000, 0.0007366100000000 ] - [ -0.0003063800000000, -0.0005649600000000, -0.0003689200000000 ] - [ -0.0003774200000000, 0.0000430100000000, -0.0000143100000000 ] - [ -0.0004666800000000, -0.0018903500000000, -0.0002468500000000 ] - [ -0.0007270900000000, 0.0030437800000000, -0.0011948600000000 ] - [ -0.0005995600000000, 0.0000022000000000, -0.0000703600000000 ] - [ 0.0005530000000000, 0.0013339100000000, -0.0001437400000000 ] - [ -0.0005974800000000, -0.0031316700000000, 0.0000398500000000 ] - [ 0.0004721700000000, -0.0014363200000000, -0.0002004000000000 ] - [ 0.0012699500000000, -0.0002487400000000, -0.0007790600000000 ] - [ 0.0004576300000000, 0.0000658400000000, -0.0000774600000000 ] - [ -0.0003958300000000, -0.0009669900000000, -0.0001590100000000 ] - [ 0.0010994400000000, 0.0001379700000000, -0.0000308500000000 ] - [ -0.0001221700000000, -0.0000551000000000, -0.0000787200000000 ] - [ 0.0062648200000000, -0.0103873700000000, -0.0053646300000000 ] - [ -0.0001135800000000, -0.0004611000000000, -0.0001715000000000 ] - [ 0.0004335400000000, -0.0012737200000000, -0.0001823900000000 ] - [ -0.0011015700000000, 0.0011824100000000, -0.0001993100000000 ] - [ 0.0003141200000000, -0.0002084400000000, -0.0000585600000000 ] - [ -0.0007416300000000, 0.0028389400000000, -0.0002654800000000 ] - [ -0.0050231300000000, -0.0009279500000000, 0.0105152700000000 ] - [ 0.0008830800000000, 0.0005467800000000, 0.0002079300000000 ] - [ 0.0009185400000000, 0.0007594900000000, 0.0006953700000000 ] - [ 0.0001064700000000, 0.0009339400000000, 0.0007913100000000 ] - [ 0.0667802000000000, -0.0902219900000000, -0.0869122200000000 ] - [ 0.0007849500000000, 0.0004567200000000, -0.0002243300000000 ] - [ 0.0003408900000000, 0.0002760200000000, 0.0009507500000000 ] - [ 0.0006002900000000, 0.0000699100000000, -0.0003849000000000 ] - [ 0.0006683200000000, 0.0000789600000000, -0.0003078700000000 ] - [ 0.0003779400000000, 0.0000832700000000, -0.0000430000000000 ] - [ 0.0001436500000000, 0.0001722300000000, 0.0000869900000000 ] - [ 0.0005027600000000, -0.0007108500000000, 0.0004795900000000 ] - [ -0.0000692600000000, -0.0004276800000000, -0.0002043500000000 ] - [ 0.0009106800000000, -0.0001247000000000, 0.0001825800000000 ] - [ -0.0001316100000000, -0.0007803000000000, -0.0000021100000000 ] - [ -0.0009426400000000, -0.0006387200000000, 0.0008738100000000 ] - [ -0.0001733600000000, 0.0000441900000000, -0.0001704800000000 ] - [ 0.0003334000000000, 0.0002422600000000, -0.0002796100000000 ] - [ 0.0003933300000000, 0.0000331100000000, 0.0008850100000000 ] - [ 0.0006593100000000, 0.0003419200000000, -0.0004238700000000 ] - [ -0.0007467100000000, -0.0005454300000000, 0.0001397800000000 ] - [ 0.0000573100000000, 0.0005587500000000, -0.0000914400000000 ] - [ 0.0001542500000000, 0.0001136700000000, 0.0001830500000000 ] - [ -0.0000299200000000, 0.0002230400000000, 0.0000716100000000 ] - [ -0.0002274100000000, 0.0001568700000000, -0.0000980400000000 ] - [ 0.0007612800000000, 0.0003450200000000, 0.0002134800000000 ] - [ -0.0004344900000000, 0.0001464300000000, -0.0003234400000000 ] - [ -0.0003249700000000, 0.0004124000000000, 0.0009668800000000 ] - [ -0.0003949200000000, 0.0002385100000000, -0.0001977200000000 ] - [ 0.0003964300000000, 0.0003007800000000, -0.0001754300000000 ] - [ -0.0003043100000000, -0.0003139900000000, 0.0026335100000000 ] - [ -0.0011533100000000, 0.0013652700000000, 0.0001537000000000 ] - [ -0.0008364800000000, 0.0004986100000000, 0.0001881400000000 ] - [ 0.0000215900000000, 0.0004908400000000, -0.0000112200000000 ] - [ -0.0001497400000000, 0.0001527000000000, 0.0003568300000000 ] - [ -0.0001747000000000, 0.0002581700000000, 0.0002183000000000 ] - [ -0.0000314600000000, 0.0007607600000000, -0.0000719600000000 ] - [ 0.0004134300000000, -0.0000098600000000, 0.0001610800000000 ] - [ -0.0006853900000000, 0.0005363600000000, -0.0004798000000000 ] - [ -0.0002763400000000, 0.0004110100000000, 0.0008660200000000 ] - [ -0.0004073000000000, 0.0002482000000000, -0.0003208100000000 ] - [ 0.0002039400000000, -0.0003179400000000, -0.0002770200000000 ] - [ 0.0001961000000000, 0.0003278300000000, 0.0008755400000000 ] - [ 0.0001450400000000, 0.0003881700000000, -0.0002839800000000 ] - [ -0.0008068400000000, -0.0000928300000000, 0.0001797400000000 ] - [ 0.0000005500000000, 0.0001113900000000, -0.0000717000000000 ] - [ -0.0000732200000000, 0.0000407000000000, 0.0001579700000000 ] - [ -0.0002460600000000, -0.0001872300000000, 0.0002037400000000 ] - [ -0.0000834600000000, -0.0007761800000000, -0.0000813000000000 ] - [ 0.0007673600000000, 0.0003863200000000, 0.0001757200000000 ] - [ -0.0008739300000000, -0.0003772200000000, -0.0005108700000000 ] - [ -0.0004082000000000, -0.0000785300000000, 0.0009016000000000 ] - [ -0.0003955300000000, -0.0003848200000000, -0.0003103100000000 ] - [ 0.0002124200000000, -0.0000052300000000, -0.0002047600000000 ] - [ 0.0002963500000000, 0.0002124200000000, 0.0009462000000000 ] - [ 0.0003757300000000, 0.0000245800000000, -0.0003343000000000 ] - [ -0.0010434800000000, 0.0001797500000000, 0.0001919700000000 ] - [ 0.0000716800000000, -0.0000425100000000, -0.0001235100000000 ] - [ -0.0000160900000000, 0.0001498400000000, 0.0001158100000000 ] - [ -0.0005814400000000, -0.0003801800000000, 0.0000787500000000 ] - [ -0.0006060000000000, 0.0000004900000000, -0.0000821200000000 ] - [ 0.0006230000000000, -0.0000346000000000, 0.0001814800000000 ] - [ -0.0012644400000000, -0.0007499300000000, -0.0006570700000000 ] - [ -0.0002527300000000, -0.0009153600000000, 0.0012270300000000 ] - [ -0.0007128800000000, 0.0002418400000000, -0.0002014500000000 ] - [ 0.0002842800000000, 0.0003202800000000, -0.0003306800000000 ] - [ -0.0000575600000000, 0.0010537200000000, 0.0009027900000000 ] - [ 0.0005868600000000, 0.0007370100000000, -0.0005559300000000 ] - [ -0.0019437300000000, -0.0010815100000000, 0.0010321500000000 ] - [ -0.0000621500000000, 0.0009167100000000, -0.0000746400000000 ] - [ 0.0001505800000000, 0.0004119500000000, 0.0002572000000000 ] - [ -0.0000904000000000, 0.0001179200000000, 0.0001102700000000 ] - [ -0.0002117800000000, -0.0000010900000000, -0.0000887800000000 ] - [ 0.0007679600000000, 0.0001187900000000, 0.0001940100000000 ] - [ -0.0005225000000000, -0.0000292000000000, -0.0003758200000000 ] - [ -0.0003265100000000, 0.0000933800000000, 0.0009406200000000 ] - [ -0.0004123300000000, 0.0001746300000000, -0.0002235700000000 ] - [ 0.0004094400000000, 0.0000810700000000, -0.0002567500000000 ] - [ 0.0002730300000000, -0.0006735700000000, 0.0008141700000000 ] - [ 0.0007930800000000, -0.0005739500000000, -0.0004750500000000 ] - [ -0.0008038900000000, 0.0004200900000000, 0.0001876800000000 ] - [ 0.0002084400000000, -0.0003618500000000, -0.0000725000000000 ] - [ 0.0003344600000000, -0.0002190700000000, 0.0001381700000000 ] - [ -0.0001424000000000, 0.0002338400000000, 0.0002129800000000 ] - [ 0.0000168800000000, 0.0006763200000000, -0.0000991600000000 ] - [ 0.0011411200000000, -0.0001691900000000, 0.0002282400000000 ] - [ -0.0006302900000000, 0.0005369300000000, -0.0004505700000000 ] - [ -0.0003147900000000, 0.0004046500000000, 0.0008767500000000 ] - [ -0.0001970300000000, 0.0003220300000000, -0.0002675800000000 ] - [ 0.0028887400000000, 0.0000387000000000, 0.0000359100000000 ] - [ 0.0004037200000000, 0.0005086600000000, 0.0008475000000000 ] - [ 0.0012469800000000, 0.0008897700000000, -0.0006963800000000 ] - [ -0.0007607300000000, -0.0000294100000000, 0.0001722100000000 ] - [ 0.0005132100000000, 0.0017830500000000, -0.0008061400000000 ] - [ 0.0004176600000000, 0.0004894900000000, 0.0003681900000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005998200000000, -0.0003494400000000, -0.0005317900000000 ] - [ -0.0006329700000000, -0.0005706800000000, -0.0004711600000000 ] - [ -0.0001104700000000, 0.0007372100000000, -0.0005100700000000 ] - [ -0.0000212400000000, 0.0003650400000000, -0.0004695300000000 ] - [ -0.0008600700000000, 0.0002514300000000, -0.0004466900000000 ] - [ 0.0025541800000000, -0.0017335600000000, 0.0100351300000000 ] - [ 0.0000876700000000, 0.0002727000000000, -0.0004028600000000 ] - [ 0.0000444100000000, 0.0005938700000000, -0.0004365400000000 ] - [ 0.0004102100000000, 0.0000129300000000, -0.0000553000000000 ] - [ 0.0005258600000000, 0.0008307200000000, -0.0005548700000000 ] - [ 0.0999442100000000, -0.0995180300000000, -0.2188131500000000 ] - [ 0.0000898700000000, 0.0003508000000000, 0.0004938000000000 ] - [ -0.0000954600000000, 0.0000454100000000, -0.0000235100000000 ] - [ 0.0002697400000000, -0.0000833000000000, 0.0002258600000000 ] - [ 0.0002573500000000, 0.0004076100000000, -0.0002677500000000 ] - [ 0.0016863500000000, -0.0016176500000000, -0.0008969400000000 ] - [ 0.0000319500000000, -0.0001046500000000, -0.0004268800000000 ] - [ 0.0001837000000000, 0.0003049800000000, 0.0005734200000000 ] - [ -0.0002083100000000, 0.0004530700000000, -0.0002792300000000 ] - [ -0.0004866500000000, -0.0007379100000000, -0.0005079500000000 ] - [ 0.0003699400000000, 0.0001966700000000, 0.0000580300000000 ] - [ -0.0001606600000000, -0.0009257300000000, -0.0009001300000000 ] - [ 0.0000545700000000, -0.0002149700000000, 0.0004192600000000 ] - [ -0.0006031700000000, -0.0002888300000000, 0.0000409400000000 ] - [ -0.0001893700000000, 0.0000432000000000, -0.0000427200000000 ] - [ 0.0003137300000000, 0.0002291200000000, 0.0002794500000000 ] - [ -0.0003114300000000, -0.0000218600000000, 0.0001899600000000 ] - [ 0.0002290100000000, -0.0000975800000000, -0.0001164900000000 ] - [ 0.0000148400000000, 0.0002364200000000, -0.0005580500000000 ] - [ -0.0000415300000000, -0.0000346300000000, 0.0002745700000000 ] - [ -0.0002034500000000, -0.0003189000000000, -0.0002027200000000 ] - [ -0.0004233400000000, 0.0000341500000000, -0.0000646900000000 ] - [ 0.0005686700000000, 0.0003686300000000, -0.0001696900000000 ] - [ 0.0002624300000000, 0.0004923900000000, -0.0003044600000000 ] - [ -0.0000304600000000, 0.0002482500000000, 0.0004672400000000 ] - [ -0.0000042600000000, -0.0000608800000000, -0.0004006200000000 ] - [ -0.0002519400000000, 0.0005263400000000, 0.0003031100000000 ] - [ 0.0056460400000000, -0.0060826600000000, -0.0120999300000000 ] - [ -0.0001996500000000, -0.0000095200000000, 0.0001867600000000 ] - [ 0.0002537000000000, 0.0000346600000000, -0.0000479800000000 ] - [ 0.0005593500000000, -0.0010769300000000, -0.0012671200000000 ] - [ 0.0000902700000000, 0.0003599900000000, 0.0005736600000000 ] - [ -0.0007365400000000, 0.0004391100000000, 0.0011845700000000 ] - [ -0.0003673500000000, -0.0000541600000000, -0.0000024100000000 ] - [ 0.0001137500000000, 0.0003459200000000, 0.0004369200000000 ] - [ 0.0001521300000000, -0.0001794600000000, -0.0001044700000000 ] - [ 0.0000418800000000, 0.0000227300000000, 0.0002351500000000 ] - [ -0.0000227400000000, 0.0003817200000000, -0.0007216700000000 ] - [ -0.0006311700000000, 0.0000503900000000, -0.0000597200000000 ] - [ 0.0002742800000000, 0.0003618800000000, 0.0002941100000000 ] - [ -0.0003450400000000, 0.0003826200000000, 0.0003220800000000 ] - [ 0.0002265600000000, 0.0000993900000000, -0.0000417500000000 ] - [ -0.0000140000000000, 0.0003573200000000, -0.0006754000000000 ] - [ -0.0000964900000000, -0.0001836200000000, 0.0003933800000000 ] - [ -0.0002261100000000, -0.0002510900000000, -0.0001543800000000 ] - [ -0.0003247500000000, 0.0002088200000000, 0.0001050200000000 ] - [ 0.0003306000000000, -0.0001178800000000, 0.0000529400000000 ] - [ 0.0001262100000000, 0.0002427400000000, -0.0001439100000000 ] - [ -0.0000081000000000, -0.0000165400000000, 0.0002487600000000 ] - [ -0.0000574600000000, -0.0002932100000000, -0.0006257700000000 ] - [ -0.0003307800000000, -0.0000047000000000, -0.0000609800000000 ] - [ 0.0002343500000000, -0.0000924500000000, 0.0002163600000000 ] - [ -0.0003936500000000, -0.0003163100000000, 0.0003125100000000 ] - [ -0.0000451800000000, -0.0000540100000000, -0.0000119000000000 ] - [ 0.0000048600000000, -0.0001161700000000, -0.0004327600000000 ] - [ -0.0000673800000000, 0.0001529700000000, 0.0003607800000000 ] - [ -0.0002469500000000, 0.0004610300000000, -0.0002843600000000 ] - [ -0.0004539300000000, -0.0001823900000000, 0.0000272200000000 ] - [ 0.0002526600000000, 0.0002437300000000, 0.0001941200000000 ] - [ 0.0002814000000000, -0.0006510200000000, -0.0002526300000000 ] - [ -0.0001466500000000, -0.0001955200000000, 0.0004188100000000 ] - [ -0.0003797000000000, -0.0002788900000000, -0.0002061000000000 ] - [ -0.0003695400000000, 0.0001918300000000, -0.0000211300000000 ] - [ 0.0002810200000000, 0.0004162300000000, 0.0003150100000000 ] - [ 0.0005278300000000, -0.0007071900000000, -0.0005170900000000 ] - [ -0.0001621900000000, 0.0000014600000000, -0.0004547900000000 ] - [ 0.0000856700000000, 0.0004762500000000, -0.0012966000000000 ] - [ -0.0000854800000000, 0.0000507200000000, 0.0001854600000000 ] - [ 0.0000181100000000, 0.0000249900000000, 0.0002070500000000 ] - [ 0.0006395600000000, -0.0015519400000000, -0.0002980200000000 ] - [ 0.0002573100000000, -0.0001828400000000, 0.0001422200000000 ] - [ 0.0001941000000000, 0.0004255400000000, -0.0002513000000000 ] - [ -0.0000367300000000, 0.0002172100000000, 0.0004509200000000 ] - [ -0.0000342700000000, -0.0001527600000000, -0.0004747900000000 ] - [ -0.0002904400000000, -0.0000898500000000, -0.0000384400000000 ] - [ 0.0003173100000000, -0.0004324300000000, 0.0003303100000000 ] - [ -0.0002879900000000, -0.0001499300000000, 0.0002430700000000 ] - [ 0.0002052300000000, 0.0000048500000000, -0.0000411800000000 ] - [ 0.0000768200000000, -0.0004401700000000, -0.0007850200000000 ] - [ -0.0000006900000000, 0.0001429200000000, 0.0003606900000000 ] - [ -0.0000926600000000, 0.0001031500000000, -0.0001077300000000 ] - [ -0.0003569200000000, -0.0000739500000000, 0.0000149900000000 ] - [ 0.0004354600000000, 0.0001212800000000, -0.0000612000000000 ] - [ 0.0001444600000000, -0.0001839900000000, -0.0001042800000000 ] - [ 0.0000724600000000, -0.0000137700000000, 0.0002351700000000 ] - [ -0.0000314000000000, 0.0003927800000000, -0.0007207100000000 ] - [ 0.0000585900000000, 0.0001092600000000, -0.0000227600000000 ] - [ 0.0004058400000000, 0.0004192800000000, 0.0003333600000000 ] - [ -0.0003637200000000, 0.0004156800000000, 0.0003325700000000 ] - [ 0.0002684500000000, 0.0001003500000000, -0.0000467000000000 ] - [ 0.0000684500000000, 0.0003920900000000, -0.0007061000000000 ] - [ 0.0006660800000000, 0.0002805700000000, -0.0006766200000000 ] - [ -0.0000856100000000, -0.0001217200000000, -0.0000665200000000 ] - [ -0.0002901600000000, 0.0002377000000000, 0.0001428200000000 ] - [ -0.0001916600000000, 0.0005366600000000, 0.0000340000000000 ] - [ 0.0024398400000000, -0.0033550000000000, 0.0023374400000000 ] - [ -0.0002107700000000, 0.0011483800000000, -0.0001729200000000 ] - [ -0.0000130300000000, -0.0001401100000000, -0.0000924600000000 ] - [ 0.0008192300000000, 0.0000758600000000, -0.0001940900000000 ] - [ 0.0004125400000000, 0.0001447700000000, -0.0000587800000000 ] - [ -0.0028536700000000, 0.0027312000000000, 0.0001237400000000 ] - [ 0.0003446900000000, 0.0012406300000000, -0.0001855700000000 ] - [ -0.0005453400000000, -0.0003969300000000, -0.0000991600000000 ] - [ -0.0003983800000000, -0.0013518200000000, -0.0005268000000000 ] - [ -0.0007699500000000, 0.0014020500000000, -0.0001970500000000 ] - [ -0.0033409800000000, 0.0177335900000000, -0.0044957000000000 ] - [ -0.0009116400000000, -0.0007723000000000, -0.0000847600000000 ] - [ 0.0003649600000000, -0.0000540300000000, -0.0000819200000000 ] - [ -0.0000554600000000, 0.0000619400000000, 0.0000430700000000 ] - [ 0.0005653100000000, 0.0014181500000000, -0.0001848800000000 ] - [ -0.0021791900000000, -0.0001579800000000, 0.0044424100000000 ] - [ 0.0092715400000000, -0.0155001200000000, -0.0063082800000000 ] - [ 0.0006722300000000, -0.0000291300000000, 0.0001572100000000 ] - [ -0.0036011700000000, -0.0031757100000000, -0.0018904400000000 ] - [ -0.0007795400000000, -0.0009427800000000, 0.0005184100000000 ] - [ -0.1119767100000000, 0.1130829900000000, 0.2302550700000000 ] - [ -0.0002568400000000, -0.0005580500000000, -0.0000193000000000 ] - [ 0.0002457700000000, -0.0004235800000000, 0.0008723000000000 ] - [ 0.0004749900000000, -0.0005114300000000, -0.0004132800000000 ] - [ -0.0013456100000000, 0.0019183700000000, 0.0005175300000000 ] - [ -0.0001531100000000, -0.0006234200000000, -0.0001704100000000 ] - [ 0.0000370100000000, -0.0002155400000000, 0.0002062000000000 ] - [ -0.0005748700000000, 0.0006024100000000, 0.0005151600000000 ] - [ -0.0002580700000000, 0.0011271700000000, -0.0001474000000000 ] - [ 0.0007017400000000, -0.0003194300000000, 0.0001881200000000 ] - [ -0.0010327000000000, 0.0011648800000000, -0.0009279600000000 ] - [ 0.0007618000000000, 0.0007024400000000, 0.0010364700000000 ] - [ -0.0004385800000000, 0.0001804300000000, -0.0003185900000000 ] - [ 0.0003899200000000, -0.0001525400000000, -0.0002452500000000 ] - [ 0.0002797100000000, 0.0001685300000000, 0.0009169800000000 ] - [ 0.0005369500000000, 0.0002088600000000, -0.0003974200000000 ] - [ -0.0006829600000000, 0.0000523800000000, 0.0002192900000000 ] - [ 0.0001792800000000, 0.0001276500000000, -0.0000829500000000 ] - [ 0.0001041400000000, -0.0000058500000000, 0.0001342100000000 ] - [ -0.0002032000000000, -0.0002751000000000, 0.0002259000000000 ] - [ -0.0000228400000000, -0.0007736500000000, -0.0000789500000000 ] - [ 0.0003283600000000, -0.0006852700000000, -0.0007372100000000 ] - [ -0.0007376100000000, -0.0006079600000000, -0.0004761200000000 ] - [ -0.0003512300000000, -0.0004495900000000, 0.0008916300000000 ] - [ -0.0003458000000000, -0.0002966500000000, -0.0003216900000000 ] - [ 0.0002568200000000, -0.0004474900000000, -0.0003774400000000 ] - [ 0.0000158300000000, 0.0010615100000000, -0.0002486700000000 ] - [ 0.0025486900000000, -0.0032047000000000, 0.0019347200000000 ] - [ -0.0007959100000000, 0.0000266500000000, 0.0001716700000000 ] - [ 0.0000957700000000, -0.0012568600000000, -0.0001700400000000 ] - [ 0.0006947600000000, -0.0006940300000000, -0.0003897000000000 ] - [ -0.0000516900000000, -0.0001784600000000, 0.0000853400000000 ] - [ -0.0002138500000000, -0.0001366200000000, -0.0001012100000000 ] - [ 0.0013322900000000, -0.0006690300000000, 0.0001660400000000 ] - [ -0.0004580100000000, -0.0000540200000000, -0.0003385700000000 ] - [ -0.0003287200000000, -0.0002262600000000, 0.0009535700000000 ] - [ -0.0003116800000000, -0.0002078500000000, -0.0001895100000000 ] - [ 0.0005673000000000, 0.0003280100000000, -0.0002204800000000 ] - [ 0.0004307700000000, -0.0002062500000000, 0.0009481300000000 ] - [ 0.0010543900000000, 0.0000581400000000, -0.0005300600000000 ] - [ -0.0007880800000000, -0.0004327600000000, 0.0001835200000000 ] - [ 0.0003288200000000, 0.0004632900000000, -0.0001048700000000 ] - [ 0.0003676300000000, 0.0000143300000000, 0.0001455100000000 ] - [ 0.0001372900000000, 0.0001328200000000, 0.0001101700000000 ] - [ -0.0000612700000000, 0.0001314800000000, -0.0001165800000000 ] - [ 0.0008682200000000, 0.0001598600000000, 0.0001880200000000 ] - [ -0.0000807700000000, -0.0000843400000000, -0.0002560800000000 ] - [ -0.0001381300000000, -0.0000669800000000, 0.0009242400000000 ] - [ -0.0002374600000000, 0.0002765600000000, -0.0002080200000000 ] - [ 0.0005553300000000, -0.0000526500000000, -0.0003250400000000 ] - [ 0.0003248700000000, -0.0003657600000000, 0.0008772300000000 ] - [ 0.0008041800000000, -0.0005030500000000, -0.0004946700000000 ] - [ -0.0004515600000000, 0.0003440200000000, 0.0001589700000000 ] - [ 0.0001904600000000, -0.0006273100000000, -0.0000351700000000 ] - [ 0.0002630900000000, -0.0002375500000000, 0.0001871500000000 ] - [ 0.0001082700000000, 0.0004130800000000, 0.0004472100000000 ] - [ 0.0004442800000000, 0.0006248000000000, 0.0000200400000000 ] - [ 0.0010145400000000, -0.0005378100000000, 0.0001568500000000 ] - [ 0.0004868700000000, 0.0011268100000000, 0.0001507500000000 ] - [ -0.0002124000000000, 0.0009870000000000, 0.0004511200000000 ] - [ -0.0000398300000000, -0.0001089300000000, -0.0004280100000000 ] - [ 0.0004324600000000, -0.0002497000000000, -0.0001902200000000 ] - [ 0.0006378500000000, -0.0018239300000000, 0.0013735000000000 ] - [ 0.0004728100000000, -0.0003371900000000, -0.0001297700000000 ] - [ -0.0005777300000000, 0.0008642300000000, -0.0027813600000000 ] - [ 0.0002619800000000, -0.0002945600000000, -0.0001226600000000 ] - [ -0.0000175200000000, -0.0004075400000000, -0.0000363000000000 ] - [ -0.0001084300000000, -0.0001987400000000, 0.0001948200000000 ] - [ -0.0000042200000000, -0.0006419900000000, -0.0000896800000000 ] - [ 0.0009296400000000, 0.0003999100000000, 0.0001790500000000 ] - [ -0.0005813600000000, -0.0004425000000000, -0.0004387300000000 ] - [ -0.0002424900000000, -0.0002789400000000, 0.0008770800000000 ] - [ -0.0002925200000000, -0.0002438000000000, -0.0002962200000000 ] - [ 0.0003552500000000, -0.0001399300000000, -0.0002533900000000 ] - [ 0.0004197600000000, 0.0005050000000000, 0.0010188400000000 ] - [ 0.0004997300000000, 0.0000744900000000, -0.0003758100000000 ] - [ -0.0007717800000000, 0.0001168900000000, 0.0001735900000000 ] - [ 0.0000957100000000, -0.0002510500000000, -0.0001026000000000 ] - [ -0.0000021100000000, 0.0001454500000000, 0.0001746000000000 ] - [ -0.0000675600000000, -0.0001453800000000, 0.0000991300000000 ] - [ -0.0002173400000000, 0.0000086100000000, -0.0000845200000000 ] - [ 0.0005117800000000, -0.0003484800000000, 0.0001411400000000 ] - [ -0.0004987300000000, -0.0000512500000000, -0.0003672000000000 ] - [ -0.0002877300000000, -0.0002372500000000, 0.0009440700000000 ] - [ -0.0004761300000000, -0.0001835800000000, -0.0002350000000000 ] - [ -0.0023956300000000, -0.0004173200000000, 0.0000189900000000 ] - [ 0.0002111000000000, -0.0002427900000000, 0.0009208600000000 ] - [ 0.0000333100000000, 0.0000747800000000, -0.0003208100000000 ] - [ -0.0008429300000000, -0.0004854000000000, 0.0001873200000000 ] - [ -0.0001855200000000, 0.0008349600000000, 0.0002643800000000 ] - [ -0.0003049500000000, -0.0002423900000000, 0.0003253500000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005841800000000, 0.0003393400000000, -0.0003810600000000 ] - [ 0.0006152100000000, 0.0005586300000000, -0.0004380900000000 ] - [ 0.0001070900000000, -0.0007200500000000, -0.0004009800000000 ] - [ 0.0000203600000000, -0.0003561900000000, -0.0004404800000000 ] - [ 0.0008372500000000, -0.0002440500000000, -0.0004631200000000 ] - [ -0.0024511700000000, 0.0016244000000000, -0.0108274700000000 ] - [ -0.0000853600000000, -0.0002669600000000, -0.0005051500000000 ] - [ -0.0000431600000000, -0.0005791500000000, -0.0004721700000000 ] - [ 0.0002611900000000, -0.0002970800000000, 0.0001824500000000 ] - [ -0.0001384700000000, -0.0001754700000000, 0.0001562400000000 ] - [ -0.1091804600000000, 0.1090809500000000, 0.2316029500000000 ] - [ -0.0001305400000000, -0.0008323700000000, -0.0016194900000000 ] - [ -0.0003778600000000, -0.0001230900000000, -0.0000653300000000 ] - [ 0.0003312600000000, -0.0003958000000000, 0.0003183200000000 ] - [ -0.0008455700000000, -0.0008767700000000, 0.0008021600000000 ] - [ -0.0011680900000000, 0.0015113300000000, 0.0007994900000000 ] - [ 0.0000121800000000, -0.0003862000000000, -0.0007167300000000 ] - [ -0.0002045600000000, -0.0000720500000000, 0.0001258400000000 ] - [ -0.0001714000000000, 0.0001929100000000, -0.0001127200000000 ] - [ -0.0001877600000000, 0.0004282100000000, 0.0006352400000000 ] - [ 0.0003004500000000, 0.0000922000000000, 0.0000715900000000 ] - [ 0.0005271500000000, 0.0002727900000000, 0.0004992200000000 ] - [ -0.0000288400000000, -0.0000180400000000, 0.0002783000000000 ] - [ 0.0005460400000000, 0.0007730500000000, -0.0011777300000000 ] - [ -0.0002868100000000, 0.0000362200000000, -0.0000467200000000 ] - [ 0.0002881500000000, 0.0002534200000000, 0.0002660000000000 ] - [ -0.0002932400000000, 0.0005004600000000, 0.0003540500000000 ] - [ 0.0002410800000000, 0.0001737700000000, 0.0000273400000000 ] - [ 0.0000287900000000, 0.0002575900000000, -0.0005891900000000 ] - [ 0.0000148400000000, -0.0001921900000000, 0.0004169800000000 ] - [ -0.0001759100000000, -0.0003236800000000, -0.0001871500000000 ] - [ -0.0002487400000000, 0.0002510700000000, 0.0001917400000000 ] - [ 0.0001069800000000, -0.0006466900000000, 0.0002922100000000 ] - [ 0.0001186000000000, 0.0001546300000000, -0.0000882800000000 ] - [ 0.0000551900000000, -0.0000161600000000, 0.0002292900000000 ] - [ -0.0000392100000000, -0.0004288900000000, -0.0007420600000000 ] - [ -0.0002274200000000, -0.0005900800000000, -0.0003872800000000 ] - [ -0.0053682100000000, 0.0060066000000000, 0.0128139000000000 ] - [ -0.0003999300000000, -0.0004683800000000, 0.0003567500000000 ] - [ 0.0002238200000000, -0.0001124300000000, -0.0000417000000000 ] - [ -0.0005023600000000, 0.0005860100000000, 0.0001098600000000 ] - [ -0.0001135500000000, -0.0001252400000000, 0.0001257000000000 ] - [ 0.0003271500000000, 0.0002239600000000, -0.0015447100000000 ] - [ -0.0003030200000000, -0.0002314400000000, 0.0001306400000000 ] - [ 0.0005505300000000, -0.0000526500000000, -0.0002985900000000 ] - [ 0.0002260000000000, -0.0004599200000000, -0.0002833200000000 ] - [ -0.0000152800000000, -0.0002480400000000, 0.0004554400000000 ] - [ -0.0000213000000000, 0.0001159800000000, -0.0004292200000000 ] - [ 0.0001452100000000, 0.0000299400000000, -0.0000302300000000 ] - [ 0.0003264600000000, 0.0001232400000000, 0.0002513400000000 ] - [ -0.0002577100000000, 0.0001035500000000, 0.0002242600000000 ] - [ 0.0002508300000000, -0.0000183800000000, -0.0000478200000000 ] - [ 0.0000571800000000, 0.0001398100000000, -0.0004746100000000 ] - [ 0.0000686100000000, -0.0000464100000000, 0.0003011500000000 ] - [ -0.0001535100000000, -0.0003896300000000, -0.0002342100000000 ] - [ -0.0003447500000000, 0.0000802900000000, 0.0000253700000000 ] - [ 0.0003386000000000, -0.0001695200000000, 0.0000769000000000 ] - [ 0.0002505000000000, 0.0003972500000000, -0.0002440700000000 ] - [ 0.0000317100000000, 0.0002431800000000, 0.0004444300000000 ] - [ 0.0000122200000000, -0.0002027400000000, -0.0005233500000000 ] - [ -0.0001492900000000, -0.0000740600000000, -0.0000290000000000 ] - [ 0.0003657000000000, -0.0003867300000000, 0.0003274500000000 ] - [ -0.0002109800000000, -0.0001690100000000, 0.0002339100000000 ] - [ 0.0005126500000000, -0.0000258500000000, -0.0000763900000000 ] - [ 0.0000386700000000, -0.0003748100000000, -0.0007108000000000 ] - [ 0.0000402500000000, 0.0000769900000000, 0.0003334500000000 ] - [ -0.0001336900000000, 0.0001852600000000, -0.0001078600000000 ] - [ -0.0002195200000000, -0.0001062100000000, 0.0001009700000000 ] - [ 0.0004147700000000, 0.0000465600000000, -0.0000610100000000 ] - [ 0.0000968400000000, -0.0000000200000000, -0.0001402000000000 ] - [ 0.0001673000000000, -0.0000347400000000, 0.0002776600000000 ] - [ 0.0003289300000000, 0.0007609700000000, -0.0009328400000000 ] - [ -0.0001106500000000, -0.0001084500000000, -0.0000676800000000 ] - [ 0.0003213000000000, 0.0000723900000000, 0.0002320100000000 ] - [ -0.0011190800000000, 0.0011711700000000, 0.0010545900000000 ] - [ 0.0006134200000000, 0.0000717200000000, 0.0003637400000000 ] - [ -0.0000400600000000, 0.0000246800000000, 0.0001303300000000 ] - [ 0.0000578700000000, -0.0002753000000000, 0.0005039300000000 ] - [ -0.0003907500000000, -0.0006588000000000, -0.0005862100000000 ] - [ -0.0013016800000000, 0.0018391300000000, 0.0004234700000000 ] - [ 0.0004100600000000, -0.0001060600000000, -0.0000098500000000 ] - [ 0.0001851800000000, 0.0002196900000000, -0.0001399600000000 ] - [ 0.0000612100000000, 0.0000141600000000, 0.0002453500000000 ] - [ -0.0000099700000000, -0.0003393400000000, -0.0006700200000000 ] - [ -0.0001880500000000, 0.0000088700000000, -0.0000506400000000 ] - [ 0.0002849900000000, -0.0000562200000000, 0.0002170300000000 ] - [ -0.0003134500000000, -0.0003308700000000, 0.0003014600000000 ] - [ 0.0002719000000000, -0.0000833500000000, -0.0000484400000000 ] - [ -0.0000323100000000, -0.0000600700000000, -0.0003691600000000 ] - [ -0.0000250100000000, 0.0000862800000000, 0.0003328300000000 ] - [ -0.0002841900000000, 0.0005332200000000, -0.0002785100000000 ] - [ -0.0003132200000000, -0.0002119100000000, 0.0001133500000000 ] - [ 0.0002359900000000, 0.0001651800000000, 0.0001887600000000 ] - [ 0.0002332800000000, -0.0004551000000000, -0.0002831200000000 ] - [ -0.0000449800000000, -0.0002124400000000, 0.0004553700000000 ] - [ -0.0000128200000000, 0.0001053800000000, -0.0004305500000000 ] - [ -0.0005273500000000, -0.0000293400000000, -0.0000656000000000 ] - [ 0.0001986000000000, 0.0000678000000000, 0.0002135300000000 ] - [ -0.0002394200000000, 0.0000714200000000, 0.0002140100000000 ] - [ 0.0002100900000000, -0.0000192100000000, -0.0000430200000000 ] - [ -0.0000232400000000, 0.0001061300000000, -0.0004451600000000 ] - [ -0.0006676300000000, -0.0005031200000000, 0.0013655500000000 ] - [ -0.0002906500000000, -0.0005159600000000, -0.0003200900000000 ] - [ -0.0003783000000000, 0.0000523600000000, -0.0000111700000000 ] - [ -0.0006446900000000, -0.0017959200000000, -0.0002927200000000 ] - [ -0.0015574800000000, 0.0019739800000000, -0.0025659000000000 ] - [ -0.0006280300000000, 0.0001502500000000, -0.0000904300000000 ] - [ 0.0008411800000000, 0.0014066300000000, -0.0001703600000000 ] - [ -0.0016370200000000, -0.0013358800000000, -0.0000665300000000 ] - [ 0.0004304800000000, -0.0014138300000000, -0.0002022300000000 ] - [ 0.0019641200000000, -0.0014047400000000, -0.0003870100000000 ] - [ 0.0004974300000000, 0.0000618900000000, -0.0000787300000000 ] - [ -0.0003029000000000, -0.0008864400000000, -0.0001627100000000 ] - [ 0.0012153300000000, 0.0000483600000000, 0.0002586000000000 ] - [ -0.0000827600000000, -0.0000947600000000, -0.0000674900000000 ] - [ 0.0041386800000000, -0.0160988500000000, 0.0041059100000000 ] - [ 0.0000554500000000, -0.0005177900000000, -0.0001770900000000 ] - [ 0.0004778500000000, -0.0012196100000000, -0.0001799700000000 ] - [ -0.0007799800000000, 0.0012094000000000, -0.0003029900000000 ] - [ 0.0002825800000000, -0.0001110600000000, -0.0000795600000000 ] - [ 0.0019250500000000, 0.0000636200000000, -0.0040871800000000 ] - [ -0.0091633900000000, 0.0143129400000000, 0.0058989100000000 ] - [ 0.0009290100000000, 0.0005556500000000, 0.0002142700000000 ] - [ 0.0023984900000000, 0.0026567700000000, 0.0010391500000000 ] - [ 0.0001665300000000, 0.0007476300000000, 0.0012956100000000 ] - [ 0.1204709500000000, -0.1224805800000000, -0.2427657100000000 ] - [ 0.0009701700000000, 0.0004689000000000, -0.0004950600000000 ] - [ 0.0003538400000000, 0.0002387100000000, 0.0009482100000000 ] - [ 0.0006546500000000, 0.0000385300000000, -0.0004044300000000 ] - [ -0.0002790400000000, -0.0013486800000000, -0.0001406000000000 ] - [ 0.0003743500000000, -0.0000407500000000, -0.0000120000000000 ] - [ 0.0001756300000000, 0.0001332900000000, 0.0000942300000000 ] - [ 0.0003591500000000, -0.0005043000000000, -0.0002053200000000 ] - [ 0.0000308800000000, -0.0004438800000000, -0.0000318100000000 ] - [ 0.0009003000000000, -0.0002155300000000, 0.0001847300000000 ] - [ -0.0001036000000000, -0.0006769200000000, 0.0001028700000000 ] - [ -0.0013415200000000, -0.0005148700000000, 0.0007862100000000 ] - [ -0.0002910200000000, -0.0000983400000000, -0.0002045300000000 ] - [ 0.0003391000000000, 0.0002249200000000, -0.0002745200000000 ] - [ 0.0003211800000000, 0.0000104500000000, 0.0009042500000000 ] - [ 0.0005946400000000, 0.0002569700000000, -0.0004200900000000 ] - [ -0.0009143100000000, -0.0005794300000000, 0.0001526600000000 ] - [ 0.0000508000000000, 0.0005241100000000, -0.0000964800000000 ] - [ 0.0001110100000000, 0.0000830300000000, 0.0001653300000000 ] - [ -0.0000136100000000, 0.0001917900000000, 0.0000753500000000 ] - [ -0.0002031100000000, 0.0001056300000000, -0.0001013800000000 ] - [ 0.0012625700000000, 0.0011941000000000, 0.0010928200000000 ] - [ -0.0003994300000000, 0.0001330900000000, -0.0003436000000000 ] - [ -0.0002514600000000, 0.0002635900000000, 0.0009289400000000 ] - [ -0.0003820300000000, 0.0002126500000000, -0.0001995500000000 ] - [ 0.0004693900000000, 0.0003606400000000, -0.0001463300000000 ] - [ 0.0005962300000000, -0.0012323500000000, 0.0019942800000000 ] - [ -0.0013874300000000, 0.0027004800000000, -0.0027533400000000 ] - [ -0.0008082500000000, 0.0005014400000000, 0.0002007700000000 ] - [ 0.0001316800000000, 0.0005773400000000, -0.0000098300000000 ] - [ -0.0004648900000000, 0.0006003000000000, 0.0006863300000000 ] - [ -0.0001612600000000, 0.0002513800000000, 0.0002127300000000 ] - [ -0.0000155900000000, 0.0007837100000000, -0.0000783400000000 ] - [ 0.0002834400000000, 0.0001265000000000, 0.0002060800000000 ] - [ -0.0006708700000000, 0.0005131100000000, -0.0004765500000000 ] - [ -0.0002740900000000, 0.0003955000000000, 0.0008689000000000 ] - [ -0.0004150000000000, 0.0002814200000000, -0.0003260000000000 ] - [ 0.0001682500000000, -0.0002450100000000, -0.0002986400000000 ] - [ 0.0001735800000000, 0.0003753600000000, 0.0008737300000000 ] - [ 0.0000909200000000, 0.0004042700000000, -0.0002913600000000 ] - [ -0.0008165800000000, -0.0001036300000000, 0.0001897300000000 ] - [ -0.0000961700000000, 0.0001977000000000, -0.0000751900000000 ] - [ -0.0001467100000000, 0.0000630600000000, 0.0001537500000000 ] - [ -0.0003438400000000, -0.0002059300000000, 0.0001881600000000 ] - [ -0.0001623400000000, -0.0007791700000000, -0.0000647600000000 ] - [ 0.0007388900000000, 0.0003710600000000, 0.0001842500000000 ] - [ -0.0010379600000000, -0.0003783000000000, -0.0005581800000000 ] - [ -0.0004584800000000, -0.0001078500000000, 0.0008973600000000 ] - [ -0.0004864700000000, -0.0003472900000000, -0.0003121200000000 ] - [ 0.0001785900000000, -0.0000253600000000, -0.0001974200000000 ] - [ 0.0002773900000000, 0.0001816800000000, 0.0009430300000000 ] - [ 0.0003353100000000, 0.0000295000000000, -0.0003261800000000 ] - [ -0.0011426100000000, 0.0001906600000000, 0.0002130500000000 ] - [ 0.0000388500000000, -0.0000381000000000, -0.0001435600000000 ] - [ -0.0000441600000000, 0.0001544400000000, 0.0001141700000000 ] - [ -0.0003083000000000, -0.0003264700000000, -0.0001451100000000 ] - [ -0.0006558300000000, 0.0000392000000000, -0.0001979700000000 ] - [ 0.0005950500000000, -0.0000031200000000, 0.0002153600000000 ] - [ -0.0015920900000000, -0.0006420900000000, -0.0009584700000000 ] - [ -0.0003891900000000, -0.0007868700000000, 0.0013622300000000 ] - [ -0.0006800200000000, 0.0001806100000000, -0.0000962400000000 ] - [ 0.0002978200000000, 0.0003200600000000, -0.0003283000000000 ] - [ -0.0000300000000000, 0.0019538100000000, 0.0004583900000000 ] - [ 0.0006551200000000, 0.0007876700000000, -0.0006803300000000 ] - [ -0.0009970900000000, -0.0013953200000000, 0.0031231500000000 ] - [ -0.0000312500000000, 0.0009369100000000, -0.0000573700000000 ] - [ 0.0002281500000000, 0.0004738600000000, 0.0003305400000000 ] - [ -0.0001065000000000, 0.0001174800000000, 0.0001059900000000 ] - [ -0.0002203700000000, -0.0000220400000000, -0.0000905200000000 ] - [ 0.0006783500000000, 0.0001372600000000, 0.0001940700000000 ] - [ -0.0005523000000000, -0.0000288400000000, -0.0003800800000000 ] - [ -0.0003577000000000, 0.0000977900000000, 0.0009432600000000 ] - [ -0.0004336900000000, 0.0001611400000000, -0.0002259900000000 ] - [ 0.0003724800000000, 0.0000608100000000, -0.0002658200000000 ] - [ 0.0001857800000000, -0.0006661500000000, 0.0008047200000000 ] - [ 0.0006294400000000, -0.0005323800000000, -0.0004400100000000 ] - [ -0.0008326800000000, 0.0004126500000000, 0.0001989300000000 ] - [ 0.0001319300000000, -0.0004019900000000, -0.0000775500000000 ] - [ 0.0002144900000000, -0.0002186300000000, 0.0001252300000000 ] - [ -0.0001464700000000, 0.0002185500000000, 0.0001998000000000 ] - [ -0.0000129700000000, 0.0006401700000000, -0.0000951100000000 ] - [ 0.0010861400000000, -0.0001848200000000, 0.0002301400000000 ] - [ -0.0006319600000000, 0.0005103500000000, -0.0004495000000000 ] - [ -0.0003130100000000, 0.0004044600000000, 0.0008779300000000 ] - [ -0.0002555400000000, 0.0002563400000000, -0.0002837400000000 ] - [ 0.0030915000000000, 0.0005086100000000, -0.0005423900000000 ] - [ 0.0003881800000000, 0.0004112700000000, 0.0009009800000000 ] - [ 0.0010853800000000, 0.0003851300000000, -0.0004937300000000 ] - [ -0.0007635300000000, -0.0000531000000000, 0.0001854000000000 ] - [ 0.0004009000000000, -0.0001746400000000, -0.0004380900000000 ] - [ 0.0005089700000000, 0.0003136100000000, -0.0000240300000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018821400000000, 0.0018477500000000, 0.0032928900000000 ] - [ 0.0001959300000000, -0.0000472500000000, -0.0004624900000000 ] - [ -0.0000144200000000, 0.0000084400000000, -0.0004480500000000 ] - [ 0.0001362000000000, 0.0000240400000000, -0.0004486300000000 ] - [ 0.0007709500000000, -0.0001678400000000, -0.0000887300000000 ] - [ -0.0002554700000000, 0.0003072900000000, -0.0004355700000000 ] - [ 0.0000133300000000, 0.0000281800000000, -0.0004635600000000 ] - [ -0.0001051900000000, -0.0000743700000000, -0.0004261700000000 ] - [ 0.0001031100000000, -0.0003404800000000, 0.0004042200000000 ] - [ -0.0017390600000000, -0.0083316400000000, -0.0179201900000000 ] - [ -0.0000828900000000, 0.0001940600000000, 0.0004587700000000 ] - [ -0.0408794900000000, -0.0244551400000000, -0.0198964600000000 ] - [ -0.0004968100000000, -0.0000437300000000, -0.0000956900000000 ] - [ 0.0002267100000000, -0.0001770200000000, 0.0002212700000000 ] - [ -0.0009190700000000, -0.0007878000000000, -0.0005187600000000 ] - [ -0.0004296900000000, -0.0002435600000000, 0.0005893500000000 ] - [ 0.0000052900000000, -0.0001839600000000, -0.0004752700000000 ] - [ -0.0000039600000000, 0.0003777700000000, -0.0001877200000000 ] - [ -0.0002445100000000, 0.0003923600000000, -0.0002511600000000 ] - [ -0.0002366100000000, -0.0002476200000000, 0.0003254600000000 ] - [ 0.0003188400000000, 0.0001273500000000, 0.0000296500000000 ] - [ 0.0002372800000000, -0.0004382400000000, -0.0002664700000000 ] - [ 0.0002035400000000, 0.0000501300000000, -0.0000110200000000 ] - [ -0.0000125700000000, 0.0001381100000000, -0.0004311600000000 ] - [ -0.0001261100000000, 0.0000519600000000, -0.0000395700000000 ] - [ 0.0003970200000000, 0.0003385500000000, 0.0002991400000000 ] - [ -0.0002276100000000, 0.0001347200000000, 0.0002141400000000 ] - [ 0.0004197400000000, 0.0000016500000000, -0.0000820700000000 ] - [ 0.0001012100000000, 0.0002822000000000, -0.0005780700000000 ] - [ 0.0000126300000000, -0.0001148200000000, 0.0003531500000000 ] - [ -0.0001324100000000, -0.0002933300000000, -0.0001793000000000 ] - [ -0.0002499900000000, 0.0001603700000000, 0.0001108000000000 ] - [ 0.0003252800000000, -0.0001395800000000, 0.0000721800000000 ] - [ 0.0001854800000000, 0.0003252900000000, -0.0001977200000000 ] - [ -0.0000104000000000, 0.0001262100000000, 0.0003638500000000 ] - [ -0.0000266100000000, -0.0002429100000000, -0.0005674700000000 ] - [ -0.0002910200000000, -0.0000537400000000, -0.0000467000000000 ] - [ 0.0002657400000000, -0.0002211000000000, 0.0002624500000000 ] - [ -0.0003072600000000, -0.0002405000000000, 0.0002731700000000 ] - [ 0.0002120100000000, -0.0000341300000000, -0.0000417600000000 ] - [ 0.0000053000000000, -0.0002651500000000, -0.0006416100000000 ] - [ -0.0000222400000000, 0.0001096800000000, 0.0003362800000000 ] - [ -0.0001812300000000, 0.0002932300000000, -0.0001629200000000 ] - [ -0.0003432800000000, -0.0001308900000000, 0.0000532900000000 ] - [ 0.0003344600000000, 0.0001338300000000, 0.0000610100000000 ] - [ 0.0001671600000000, -0.0002852300000000, -0.0001558100000000 ] - [ 0.0000172700000000, -0.0001064700000000, 0.0003369400000000 ] - [ -0.0000261700000000, 0.0002763000000000, -0.0006454900000000 ] - [ -0.0002195500000000, 0.0000323100000000, -0.0000409800000000 ] - [ 0.0003061400000000, 0.0002457900000000, 0.0002745400000000 ] - [ -0.0002999400000000, 0.0002625900000000, 0.0002769000000000 ] - [ 0.0002542100000000, 0.0000542800000000, -0.0000430600000000 ] - [ 0.0000258000000000, 0.0002496400000000, -0.0005766500000000 ] - [ 0.0000218900000000, -0.0001428300000000, 0.0003822400000000 ] - [ -0.0001837400000000, -0.0003190500000000, -0.0001933700000000 ] - [ -0.0003237100000000, 0.0001509300000000, 0.0000787100000000 ] - [ 0.0003846700000000, -0.0001280400000000, 0.0000213500000000 ] - [ 0.0002676700000000, 0.0003543300000000, -0.0002151300000000 ] - [ 0.0000700100000000, 0.0000974100000000, 0.0003110200000000 ] - [ 0.0000243800000000, -0.0002300600000000, -0.0005548600000000 ] - [ -0.0001187900000000, -0.0000528300000000, -0.0000338400000000 ] - [ 0.0003357500000000, -0.0002805100000000, 0.0002900700000000 ] - [ -0.0001812600000000, -0.0001655000000000, 0.0002227200000000 ] - [ 0.0004915500000000, -0.0000618800000000, -0.0000807300000000 ] - [ 0.0000360100000000, -0.0002797000000000, -0.0006074800000000 ] - [ 0.0000750200000000, 0.0000452700000000, 0.0002925700000000 ] - [ -0.0001604100000000, 0.0002723900000000, -0.0001666100000000 ] - [ -0.0002594300000000, -0.0001003300000000, 0.0001121700000000 ] - [ 0.0004048500000000, 0.0000491900000000, -0.0000538800000000 ] - [ 0.0002053500000000, -0.0002385400000000, -0.0001462600000000 ] - [ 0.0002125300000000, 0.0002671000000000, -0.0002242900000000 ] - [ -0.0000120500000000, 0.0003088900000000, -0.0006192300000000 ] - [ -0.0000494900000000, -0.0000921500000000, -0.0000083200000000 ] - [ 0.0008783900000000, -0.0006472000000000, -0.0003435800000000 ] - [ -0.0003127900000000, 0.0003216000000000, 0.0002714000000000 ] - [ 0.0005175300000000, 0.0001412000000000, -0.0000989400000000 ] - [ -0.0003593600000000, -0.0001162800000000, -0.0000285400000000 ] - [ -0.0000200800000000, -0.0001818800000000, 0.0002850400000000 ] - [ 0.0004810300000000, -0.0016013900000000, 0.0007868600000000 ] - [ -0.0004413800000000, 0.0006026700000000, -0.0006425100000000 ] - [ 0.0003483800000000, -0.0001409900000000, 0.0000517400000000 ] - [ 0.0001960600000000, 0.0003269700000000, -0.0001991700000000 ] - [ 0.0000303600000000, 0.0001094900000000, 0.0003343600000000 ] - [ -0.0000174000000000, -0.0002418900000000, -0.0005702900000000 ] - [ -0.0001925900000000, -0.0000259400000000, -0.0000419000000000 ] - [ 0.0003240000000000, -0.0002368200000000, 0.0002753300000000 ] - [ -0.0002910500000000, -0.0002309500000000, 0.0002668800000000 ] - [ 0.0002594500000000, -0.0000412200000000, -0.0000482200000000 ] - [ 0.0000359900000000, -0.0002187700000000, -0.0005342800000000 ] - [ -0.0000012900000000, 0.0001274300000000, 0.0003631600000000 ] - [ -0.0001882900000000, 0.0003508100000000, -0.0002156200000000 ] - [ -0.0003299200000000, -0.0001488100000000, 0.0000709300000000 ] - [ 0.0003349300000000, 0.0001577400000000, 0.0000714600000000 ] - [ 0.0001993800000000, -0.0003400800000000, -0.0002039900000000 ] - [ 0.0000132700000000, -0.0001123900000000, 0.0003454200000000 ] - [ -0.0000258600000000, 0.0002335300000000, -0.0005514400000000 ] - [ -0.0002520800000000, 0.0000525100000000, -0.0000485600000000 ] - [ 0.0003006500000000, 0.0002504700000000, 0.0002742300000000 ] - [ -0.0002943700000000, 0.0002213800000000, 0.0002553500000000 ] - [ 0.0002270100000000, 0.0000331000000000, -0.0000446400000000 ] - [ 0.0000188700000000, 0.0002574700000000, -0.0005852000000000 ] - [ -0.0000529400000000, -0.0000791700000000, 0.0003002800000000 ] - [ -0.0001909900000000, -0.0003106600000000, -0.0001890100000000 ] - [ -0.0003441700000000, 0.0001419300000000, 0.0000563800000000 ] - [ -0.0021272200000000, -0.0006234200000000, -0.0023333400000000 ] - [ -0.0003063800000000, -0.0039447700000000, -0.0012425500000000 ] - [ -0.0004577800000000, 0.0014465600000000, -0.0001914000000000 ] - [ 0.0010493000000000, 0.0006639400000000, -0.0000184500000000 ] - [ -0.0005110000000000, -0.0005723500000000, -0.0001209600000000 ] - [ 0.0003759200000000, -0.0005489300000000, -0.0001179900000000 ] - [ -0.0004579000000000, 0.0005257300000000, -0.0001110700000000 ] - [ 0.0004749700000000, 0.0006843400000000, -0.0001333300000000 ] - [ -0.0000393800000000, -0.0006182900000000, -0.0001707300000000 ] - [ 0.0007909600000000, -0.0002319600000000, -0.0001930300000000 ] - [ -0.0003744900000000, 0.0002309000000000, -0.0000042400000000 ] - [ 0.0021369100000000, 0.0045963900000000, 0.0040897900000000 ] - [ -0.0003279400000000, -0.0006464700000000, -0.0001341600000000 ] - [ 0.0004494400000000, -0.0006858200000000, -0.0001317000000000 ] - [ -0.0003725200000000, 0.0008051400000000, -0.0001480500000000 ] - [ 0.0003650400000000, 0.0006534700000000, -0.0001337100000000 ] - [ 0.0006266300000000, 0.0006931500000000, 0.0005550900000000 ] - [ 0.0001003400000000, -0.0003623000000000, -0.0001176000000000 ] - [ 0.0011165800000000, 0.0004420700000000, -0.0000150800000000 ] - [ 0.0088835400000000, -0.0043077300000000, -0.0051242500000000 ] - [ 0.0309922700000000, 0.0320012400000000, 0.0360869500000000 ] - [ -0.0001894500000000, -0.0000737200000000, -0.0003076700000000 ] - [ 0.0010799700000000, 0.0004895000000000, 0.0011507100000000 ] - [ 0.0003745900000000, -0.0001714900000000, 0.0008778800000000 ] - [ 0.0008213900000000, -0.0004904900000000, -0.0004900000000000 ] - [ -0.0007631300000000, 0.0006411600000000, -0.0005331100000000 ] - [ -0.0002906100000000, -0.0014675900000000, 0.0000632900000000 ] - [ 0.0002721800000000, -0.0002152400000000, 0.0004346900000000 ] - [ -0.0001260300000000, 0.0003705900000000, 0.0003591000000000 ] - [ -0.0012024300000000, 0.0021610800000000, 0.0003988400000000 ] - [ 0.0007399600000000, -0.0003304100000000, 0.0001290400000000 ] - [ -0.0007163400000000, 0.0007008900000000, -0.0006034300000000 ] - [ -0.0003531500000000, 0.0002619200000000, 0.0008585700000000 ] - [ -0.0005657400000000, -0.0001144400000000, -0.0001056700000000 ] - [ 0.0003153500000000, 0.0000060800000000, -0.0002657500000000 ] - [ 0.0001964200000000, 0.0000838300000000, 0.0008432000000000 ] - [ 0.0003053900000000, 0.0001489500000000, -0.0003601100000000 ] - [ -0.0009892100000000, -0.0002452700000000, 0.0002011800000000 ] - [ 0.0000213800000000, 0.0003078700000000, -0.0000881600000000 ] - [ -0.0000247800000000, 0.0000202800000000, 0.0001573000000000 ] - [ -0.0000868100000000, -0.0000438200000000, 0.0001531700000000 ] - [ -0.0000817800000000, -0.0003381100000000, -0.0000997000000000 ] - [ 0.0008677800000000, 0.0002420700000000, 0.0001861800000000 ] - [ -0.0005312100000000, -0.0002417700000000, -0.0004023600000000 ] - [ -0.0002822100000000, -0.0001082800000000, 0.0009030000000000 ] - [ -0.0002772500000000, -0.0000804800000000, -0.0002305600000000 ] - [ 0.0003797900000000, -0.0000411000000000, -0.0002507800000000 ] - [ 0.0004276100000000, 0.0001109200000000, 0.0009479100000000 ] - [ 0.0006165400000000, -0.0002050800000000, -0.0003853900000000 ] - [ -0.0007794000000000, 0.0002456400000000, 0.0001816300000000 ] - [ 0.0001386700000000, -0.0002964700000000, -0.0000914600000000 ] - [ 0.0001326700000000, -0.0000011100000000, 0.0001424000000000 ] - [ -0.0000944400000000, -0.0000007000000000, 0.0001342300000000 ] - [ -0.0001189800000000, 0.0002893600000000, -0.0000927400000000 ] - [ 0.0007950100000000, -0.0002488400000000, 0.0001791900000000 ] - [ -0.0005547500000000, 0.0001775200000000, -0.0003809000000000 ] - [ -0.0003395800000000, -0.0001000800000000, 0.0009480900000000 ] - [ -0.0003690200000000, 0.0000300200000000, -0.0002505100000000 ] - [ 0.0002711700000000, 0.0001330700000000, -0.0002371100000000 ] - [ 0.0002915300000000, 0.0000823800000000, 0.0009070000000000 ] - [ 0.0005319400000000, 0.0002339900000000, -0.0004013900000000 ] - [ -0.0008319500000000, -0.0002861300000000, 0.0001828200000000 ] - [ 0.0000617600000000, 0.0003646900000000, -0.0001030800000000 ] - [ 0.0000828200000000, 0.0000421600000000, 0.0001550300000000 ] - [ -0.0003746500000000, -0.0000455300000000, 0.0001519400000000 ] - [ -0.0002625200000000, -0.0003069700000000, -0.0000797400000000 ] - [ 0.0006731800000000, 0.0002622000000000, 0.0001773500000000 ] - [ -0.0009124300000000, -0.0002998800000000, -0.0004645100000000 ] - [ -0.0005003200000000, -0.0000571300000000, 0.0008905500000000 ] - [ -0.0004596200000000, -0.0000500300000000, -0.0002413400000000 ] - [ 0.0000455400000000, 0.0000188600000000, -0.0001962700000000 ] - [ 0.0002573300000000, -0.0000351100000000, 0.0009124300000000 ] - [ 0.0004100700000000, -0.0001414600000000, -0.0003553400000000 ] - [ -0.0010791600000000, 0.0002012500000000, 0.0001923200000000 ] - [ 0.0000656300000000, -0.0000876300000000, -0.0001238800000000 ] - [ -0.0000019300000000, 0.0000710700000000, 0.0001575500000000 ] - [ -0.0003009100000000, -0.0000993800000000, 0.0001719700000000 ] - [ -0.0004423200000000, -0.0000357900000000, 0.0001358500000000 ] - [ 0.0005936700000000, -0.0000198000000000, 0.0001176300000000 ] - [ -0.0005517200000000, 0.0001115200000000, -0.0003542200000000 ] - [ -0.0003344900000000, -0.0000793500000000, 0.0009004400000000 ] - [ -0.0018670300000000, 0.0001324400000000, 0.0002012500000000 ] - [ 0.0003806700000000, 0.0001198600000000, -0.0002276400000000 ] - [ 0.0002577000000000, 0.0004562700000000, 0.0001054700000000 ] - [ 0.0016696800000000, 0.0002577200000000, -0.0004691900000000 ] - [ -0.0009182400000000, -0.0008059500000000, 0.0003321600000000 ] - [ 0.0006026500000000, 0.0001903600000000, 0.0001627400000000 ] - [ 0.0004158600000000, 0.0014583600000000, 0.0005947100000000 ] - [ -0.0001325100000000, -0.0000473200000000, 0.0001508800000000 ] - [ -0.0001384100000000, -0.0003409400000000, -0.0000817200000000 ] - [ 0.0007480100000000, 0.0002571300000000, 0.0001829400000000 ] - [ -0.0006009500000000, -0.0002468800000000, -0.0004153500000000 ] - [ -0.0003193700000000, -0.0000888700000000, 0.0009086700000000 ] - [ -0.0004142200000000, -0.0000132000000000, -0.0002636600000000 ] - [ 0.0003427500000000, -0.0000547600000000, -0.0002620900000000 ] - [ 0.0002199100000000, -0.0002050000000000, 0.0008956800000000 ] - [ 0.0005224900000000, -0.0002789700000000, -0.0004160600000000 ] - [ -0.0008213800000000, 0.0002663900000000, 0.0001868700000000 ] - [ 0.0000809900000000, -0.0003855500000000, -0.0000895200000000 ] - [ 0.0000856500000000, -0.0000818900000000, 0.0001557700000000 ] - [ -0.0001137800000000, 0.0000537000000000, 0.0001519400000000 ] - [ -0.0001137500000000, 0.0003348400000000, -0.0000884600000000 ] - [ 0.0008069100000000, -0.0002929800000000, 0.0001893400000000 ] - [ -0.0005706500000000, 0.0002671000000000, -0.0004082500000000 ] - [ -0.0002804900000000, 0.0001466800000000, 0.0008876500000000 ] - [ -0.0003608600000000, 0.0000285100000000, -0.0002561800000000 ] - [ 0.0004088900000000, -0.0000730900000000, -0.0002188300000000 ] - [ 0.0003111900000000, 0.0000632800000000, 0.0009110700000000 ] - [ 0.0005830300000000, 0.0002070800000000, -0.0004059000000000 ] - [ -0.0007821000000000, -0.0002507000000000, 0.0001832100000000 ] - [ 0.0001705300000000, 0.0002444800000000, -0.0000852000000000 ] - [ 0.0001277500000000, 0.0000153600000000, 0.0001372100000000 ]- atom: 12 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018279400000000, -0.0018196800000000, -0.0041418400000000 ] - [ -0.0001943100000000, 0.0000447600000000, -0.0004512600000000 ] - [ 0.0000135000000000, -0.0000085700000000, -0.0004658200000000 ] - [ -0.0001356300000000, -0.0000225800000000, -0.0004649900000000 ] - [ -0.0007712700000000, 0.0001699300000000, -0.0008306200000000 ] - [ 0.0002545400000000, -0.0003009500000000, -0.0004809500000000 ] - [ -0.0000128000000000, -0.0000279600000000, -0.0004502400000000 ] - [ 0.0001041800000000, 0.0000703500000000, -0.0004889900000000 ] - [ 0.0005669000000000, 0.0000505800000000, -0.0002732900000000 ] - [ 0.0023296000000000, 0.0087706700000000, 0.0175921900000000 ] - [ 0.0001058900000000, 0.0000380900000000, 0.0002382100000000 ] - [ 0.0418507400000000, 0.0252641800000000, 0.0211987800000000 ] - [ 0.0000171000000000, -0.0000374800000000, 0.0000044900000000 ] - [ 0.0003741900000000, -0.0003056600000000, 0.0003223100000000 ] - [ 0.0002960700000000, 0.0003056900000000, 0.0010667100000000 ] - [ 0.0008868800000000, 0.0001668300000000, -0.0006805000000000 ] - [ 0.0000383600000000, -0.0003115200000000, -0.0006734200000000 ] - [ -0.0000281700000000, -0.0001508400000000, 0.0008733000000000 ] - [ -0.0001350300000000, 0.0002504100000000, -0.0001395400000000 ] - [ -0.0004322400000000, -0.0000387600000000, -0.0001946400000000 ] - [ 0.0003486700000000, 0.0001610000000000, 0.0001018300000000 ] - [ 0.0001414400000000, -0.0002054900000000, -0.0001248400000000 ] - [ -0.0001760300000000, -0.0002761200000000, 0.0006972100000000 ] - [ -0.0000319100000000, 0.0003555600000000, -0.0007155000000000 ] - [ -0.0003482000000000, 0.0000283500000000, -0.0000505100000000 ] - [ 0.0002058200000000, 0.0001467800000000, 0.0002453300000000 ] - [ -0.0003734500000000, 0.0003465800000000, 0.0003288800000000 ] - [ 0.0000559500000000, 0.0000771900000000, -0.0000086000000000 ] - [ -0.0000566100000000, 0.0002154000000000, -0.0005730300000000 ] - [ -0.0000391000000000, -0.0001136700000000, 0.0003386300000000 ] - [ -0.0002450900000000, -0.0003469400000000, -0.0002094000000000 ] - [ -0.0004186700000000, 0.0001275600000000, 0.0000194100000000 ] - [ 0.0003440800000000, -0.0001485100000000, 0.0000581200000000 ] - [ 0.0001928500000000, 0.0003164900000000, -0.0001922300000000 ] - [ 0.0000365200000000, 0.0001024700000000, 0.0003283500000000 ] - [ -0.0000177300000000, -0.0002527300000000, -0.0005817300000000 ] - [ -0.0001848300000000, -0.0000260500000000, -0.0000434600000000 ] - [ 0.0003348000000000, -0.0002607700000000, 0.0002809900000000 ] - [ -0.0002947500000000, -0.0002425900000000, 0.0002707700000000 ] - [ 0.0002622300000000, -0.0000456600000000, -0.0000483700000000 ] - [ 0.0000383900000000, -0.0002302900000000, -0.0005085200000000 ] - [ -0.0000043700000000, 0.0001190900000000, 0.0003555300000000 ] - [ -0.0001974300000000, 0.0003484900000000, -0.0002267900000000 ] - [ -0.0003263200000000, -0.0001572700000000, 0.0000767500000000 ] - [ 0.0003348700000000, 0.0001542100000000, 0.0000691000000000 ] - [ 0.0002106200000000, -0.0003563100000000, -0.0002337200000000 ] - [ 0.0000091200000000, -0.0001224500000000, 0.0003549900000000 ] - [ -0.0000183500000000, 0.0002196700000000, -0.0005046600000000 ] - [ -0.0002554300000000, 0.0000472500000000, -0.0000491200000000 ] - [ 0.0002955000000000, 0.0002367500000000, 0.0002691900000000 ] - [ -0.0003023300000000, 0.0002209700000000, 0.0002672900000000 ] - [ 0.0002201900000000, 0.0000255300000000, -0.0000470500000000 ] - [ 0.0000183800000000, 0.0002457400000000, -0.0005724500000000 ] - [ -0.0000477400000000, -0.0000868700000000, 0.0003106700000000 ] - [ -0.0001947600000000, -0.0003230700000000, -0.0001968200000000 ] - [ -0.0003457100000000, 0.0001372800000000, 0.0000515200000000 ] - [ 0.0002851800000000, -0.0001595500000000, 0.0001083200000000 ] - [ 0.0001113500000000, 0.0002877000000000, -0.0001751800000000 ] - [ -0.0000430400000000, 0.0001308900000000, 0.0003804000000000 ] - [ -0.0000682000000000, -0.0002655100000000, -0.0005942200000000 ] - [ -0.0003544900000000, -0.0000265800000000, -0.0000560700000000 ] - [ 0.0002663500000000, -0.0002022600000000, 0.0002538700000000 ] - [ -0.0004204400000000, -0.0003174400000000, 0.0003213100000000 ] - [ -0.0000149800000000, -0.0000180500000000, -0.0000097900000000 ] - [ 0.0000085400000000, -0.0002156300000000, -0.0005415700000000 ] - [ -0.0001013000000000, 0.0001850800000000, 0.0004011600000000 ] - [ -0.0002176000000000, 0.0003696200000000, -0.0002234200000000 ] - [ -0.0004093700000000, -0.0001892400000000, 0.0000190100000000 ] - [ 0.0002652000000000, 0.0002392200000000, 0.0001834400000000 ] - [ 0.0001739300000000, -0.0004038000000000, -0.0002441800000000 ] - [ -0.0001868300000000, -0.0005023900000000, 0.0009244400000000 ] - [ -0.0000313800000000, 0.0001867100000000, -0.0005297400000000 ] - [ -0.0004195100000000, 0.0001729100000000, -0.0000812000000000 ] - [ -0.0002839000000000, 0.0011426100000000, 0.0008938100000000 ] - [ -0.0002879300000000, 0.0001614600000000, 0.0002723200000000 ] - [ -0.0000375800000000, -0.0000634900000000, 0.0000088000000000 ] - [ 0.0004079400000000, 0.0006132600000000, -0.0011203000000000 ] - [ -0.0000051300000000, -0.0000487100000000, 0.0004102900000000 ] - [ -0.0008525400000000, 0.0009688900000000, -0.0011842800000000 ] - [ -0.0002192800000000, -0.0003106200000000, 0.0007792500000000 ] - [ 0.0003211400000000, -0.0001472800000000, 0.0000783900000000 ] - [ 0.0001824400000000, 0.0003150100000000, -0.0001909100000000 ] - [ -0.0000039800000000, 0.0001196700000000, 0.0003579400000000 ] - [ -0.0000268000000000, -0.0002536400000000, -0.0005788500000000 ] - [ -0.0002813100000000, -0.0000538100000000, -0.0000480800000000 ] - [ 0.0002785300000000, -0.0002469600000000, 0.0002689900000000 ] - [ -0.0003105900000000, -0.0002518100000000, 0.0002768500000000 ] - [ 0.0002157600000000, -0.0000385600000000, -0.0000420400000000 ] - [ 0.0000085400000000, -0.0002771700000000, -0.0006154300000000 ] - [ -0.0000249800000000, 0.0001015400000000, 0.0003289500000000 ] - [ -0.0001895900000000, 0.0002907900000000, -0.0001740600000000 ] - [ -0.0003394100000000, -0.0001394900000000, 0.0000593700000000 ] - [ 0.0003347000000000, 0.0001303900000000, 0.0000584800000000 ] - [ 0.0001792200000000, -0.0003020500000000, -0.0001862400000000 ] - [ 0.0000133100000000, -0.0001165100000000, 0.0003463700000000 ] - [ -0.0000180400000000, 0.0002615500000000, -0.0005978600000000 ] - [ -0.0002225000000000, 0.0000272900000000, -0.0000415600000000 ] - [ 0.0003012100000000, 0.0002324100000000, 0.0002696200000000 ] - [ -0.0003068800000000, 0.0002606200000000, 0.0002882500000000 ] - [ 0.0002482200000000, 0.0000465100000000, -0.0000456200000000 ] - [ 0.0000253400000000, 0.0002381700000000, -0.0005641600000000 ] - [ 0.0000267100000000, -0.0001490600000000, 0.0003917200000000 ] - [ -0.0001874500000000, -0.0003311600000000, -0.0002009900000000 ] - [ -0.0003254300000000, 0.0001460700000000, 0.0000735700000000 ] - [ 0.0013405700000000, -0.0006995800000000, 0.0020702300000000 ] - [ 0.0011117700000000, 0.0026028700000000, 0.0009739300000000 ] - [ -0.0003820700000000, -0.0001428900000000, -0.0000691600000000 ] - [ -0.0002082400000000, 0.0006221000000000, -0.0002406800000000 ] - [ -0.0003241500000000, -0.0007155300000000, -0.0001398300000000 ] - [ 0.0004564700000000, -0.0007412400000000, -0.0001430900000000 ] - [ -0.0003782200000000, 0.0007621000000000, -0.0001493600000000 ] - [ 0.0003592500000000, 0.0006057100000000, -0.0001279700000000 ] - [ -0.0007915300000000, -0.0006675700000000, -0.0000902100000000 ] - [ 0.0000489000000000, -0.0010645400000000, -0.0000680700000000 ] - [ -0.0004551500000000, 0.0010612500000000, -0.0002574800000000 ] - [ -0.0012209200000000, -0.0033126700000000, -0.0043606500000000 ] - [ -0.0005050300000000, -0.0006444100000000, -0.0001269700000000 ] - [ 0.0003862300000000, -0.0006045900000000, -0.0001295300000000 ] - [ -0.0004599700000000, 0.0004850700000000, -0.0001130800000000 ] - [ 0.0004691200000000, 0.0006346600000000, -0.0001274900000000 ] - [ -0.0008610300000000, -0.0007706600000000, -0.0002824000000000 ] - [ -0.0003359100000000, -0.0003205500000000, -0.0000626700000000 ] - [ 0.0004891600000000, 0.0000861600000000, 0.0003848300000000 ] - [ -0.0101076500000000, 0.0038189200000000, 0.0043028700000000 ] - [ -0.0328187200000000, -0.0332383600000000, -0.0368118100000000 ] - [ -0.0005267100000000, -0.0000039100000000, -0.0002075500000000 ] - [ -0.0003294000000000, -0.0005571300000000, -0.0016492800000000 ] - [ 0.0002341300000000, 0.0000045000000000, 0.0009401800000000 ] - [ 0.0003190500000000, 0.0000165500000000, -0.0003288800000000 ] - [ -0.0008332500000000, -0.0001089500000000, 0.0008918500000000 ] - [ 0.0005162800000000, 0.0007991900000000, -0.0002322100000000 ] - [ -0.0000504700000000, 0.0001346000000000, -0.0001270000000000 ] - [ -0.0000886800000000, -0.0002870800000000, -0.0000496200000000 ] - [ 0.0009605200000000, -0.0014734900000000, -0.0005688300000000 ] - [ 0.0008640500000000, -0.0001999200000000, 0.0002356200000000 ] - [ -0.0004143500000000, -0.0002197900000000, -0.0002152400000000 ] - [ -0.0002547600000000, -0.0000913200000000, 0.0009581300000000 ] - [ -0.0001571100000000, 0.0001865800000000, -0.0004082400000000 ] - [ 0.0004057100000000, 0.0000674100000000, -0.0002470400000000 ] - [ 0.0004057100000000, 0.0000823500000000, 0.0009751400000000 ] - [ 0.0008235500000000, 0.0003201600000000, -0.0004545500000000 ] - [ -0.0006157200000000, -0.0002789200000000, 0.0001651500000000 ] - [ 0.0002047600000000, 0.0003415000000000, -0.0000902700000000 ] - [ 0.0002413100000000, 0.0000559300000000, 0.0001461800000000 ] - [ -0.0001300900000000, -0.0000332200000000, 0.0001511200000000 ] - [ -0.0001446800000000, -0.0003110600000000, -0.0000789500000000 ] - [ 0.0007371700000000, 0.0002833800000000, 0.0001795900000000 ] - [ -0.0005994400000000, -0.0002302900000000, -0.0004131200000000 ] - [ -0.0003242100000000, -0.0000595300000000, 0.0009145700000000 ] - [ -0.0004417800000000, 0.0000059800000000, -0.0002824000000000 ] - [ 0.0003413800000000, -0.0000340000000000, -0.0002617400000000 ] - [ 0.0001824000000000, -0.0002755400000000, 0.0008704300000000 ] - [ 0.0005163200000000, -0.0002673900000000, -0.0004296000000000 ] - [ -0.0008230900000000, 0.0002802300000000, 0.0001842700000000 ] - [ 0.0000890600000000, -0.0003538900000000, -0.0000867500000000 ] - [ 0.0000859400000000, -0.0000758200000000, 0.0001621000000000 ] - [ -0.0001215100000000, 0.0000780700000000, 0.0001687900000000 ] - [ -0.0001060800000000, 0.0003621900000000, -0.0000849300000000 ] - [ 0.0008086100000000, -0.0002764900000000, 0.0001863600000000 ] - [ -0.0005745200000000, 0.0002939100000000, -0.0004333400000000 ] - [ -0.0002668900000000, 0.0002657200000000, 0.0008700500000000 ] - [ -0.0003512200000000, 0.0000451500000000, -0.0002618300000000 ] - [ 0.0004479100000000, -0.0000561800000000, -0.0002752300000000 ] - [ 0.0003152000000000, 0.0000845700000000, 0.0009103800000000 ] - [ 0.0005987500000000, 0.0002383700000000, -0.0004140400000000 ] - [ -0.0007714800000000, -0.0002398900000000, 0.0001832100000000 ] - [ 0.0001630000000000, 0.0002883500000000, -0.0000754300000000 ] - [ 0.0001339700000000, 0.0000352400000000, 0.0001490300000000 ] - [ 0.0001549500000000, -0.0000307600000000, 0.0001518400000000 ] - [ 0.0000341800000000, -0.0003414800000000, -0.0000982500000000 ] - [ 0.0009288100000000, 0.0002627400000000, 0.0001878900000000 ] - [ -0.0002213900000000, -0.0001714700000000, -0.0003515300000000 ] - [ -0.0001076600000000, -0.0001106500000000, 0.0009270900000000 ] - [ -0.0002619700000000, -0.0000236600000000, -0.0002705600000000 ] - [ 0.0006755800000000, -0.0000949000000000, -0.0003169000000000 ] - [ 0.0003490300000000, -0.0001324800000000, 0.0009053400000000 ] - [ 0.0007185600000000, -0.0003312500000000, -0.0004596400000000 ] - [ -0.0005259500000000, 0.0003262000000000, 0.0001742500000000 ] - [ 0.0001589000000000, -0.0005657700000000, -0.0000552300000000 ] - [ 0.0002175400000000, -0.0001490600000000, 0.0001467800000000 ] - [ 0.0000799700000000, 0.0001786500000000, 0.0001324100000000 ] - [ 0.0002166500000000, 0.0006917100000000, -0.0003173500000000 ] - [ 0.0010047300000000, -0.0005076300000000, 0.0002481700000000 ] - [ -0.0005851700000000, 0.0003627200000000, -0.0004622300000000 ] - [ -0.0002744100000000, 0.0002463100000000, 0.0009171000000000 ] - [ 0.0011650800000000, -0.0000574800000000, -0.0007200300000000 ] - [ 0.0003383200000000, -0.0000433900000000, -0.0002877600000000 ] - [ 0.0003383700000000, -0.0002888600000000, 0.0017168400000000 ] - [ -0.0005462800000000, 0.0001989800000000, -0.0003483300000000 ] - [ -0.0006952600000000, 0.0002781400000000, 0.0000331000000000 ] - [ -0.0003912700000000, 0.0004773100000000, -0.0003413700000000 ] - [ -0.0002119400000000, -0.0013792500000000, -0.0002909000000000 ] - [ -0.0000853600000000, -0.0000299000000000, 0.0001532100000000 ] - [ -0.0000879200000000, -0.0003105000000000, -0.0000970000000000 ] - [ 0.0008539000000000, 0.0002689000000000, 0.0001828500000000 ] - [ -0.0005305700000000, -0.0002256900000000, -0.0003998700000000 ] - [ -0.0002884300000000, -0.0000783300000000, 0.0009093000000000 ] - [ -0.0003068100000000, -0.0000616200000000, -0.0002498200000000 ] - [ 0.0003768700000000, -0.0000201700000000, -0.0002507800000000 ] - [ 0.0003861400000000, 0.0000382100000000, 0.0009219700000000 ] - [ 0.0006063600000000, -0.0001927700000000, -0.0003988200000000 ] - [ -0.0007825100000000, 0.0002589300000000, 0.0001789200000000 ] - [ 0.0001447800000000, -0.0002662100000000, -0.0000890400000000 ] - [ 0.0001306900000000, 0.0000042600000000, 0.0001478600000000 ] - [ -0.0001046300000000, 0.0000236000000000, 0.0001532100000000 ] - [ -0.0001129700000000, 0.0003153500000000, -0.0000894400000000 ] - [ 0.0007958300000000, -0.0002334400000000, 0.0001761400000000 ] - [ -0.0005616200000000, 0.0002061300000000, -0.0004070700000000 ] - [ -0.0003280600000000, 0.0000206700000000, 0.0009305900000000 ] - [ -0.0003601500000000, 0.0000458500000000, -0.0002574100000000 ] - [ 0.0003110800000000, 0.0001470700000000, -0.0002932300000000 ] - [ 0.0002959100000000, 0.0001038300000000, 0.0009068000000000 ] - [ 0.0005467600000000, 0.0002641100000000, -0.0004089500000000 ] - [ -0.0008217500000000, -0.0002744200000000, 0.0001821900000000 ] - [ 0.0000564800000000, 0.0004047500000000, -0.0000926100000000 ] - [ 0.0000900600000000, 0.0000616800000000, 0.0001660400000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036458900000000, -0.0020575700000000, 0.0001407500000000 ] - [ -0.0000886300000000, 0.0000927500000000, -0.0003889000000000 ] - [ -0.0000394100000000, 0.0006057700000000, -0.0004562800000000 ] - [ 0.0001654300000000, 0.0002799100000000, -0.0004955500000000 ] - [ -0.0001977000000000, -0.0012261600000000, -0.0006409700000000 ] - [ 0.0001450600000000, 0.0014042700000000, -0.0007174000000000 ] - [ 0.0000113700000000, 0.0005402200000000, -0.0004500300000000 ] - [ -0.0001417300000000, 0.0008977700000000, -0.0004560900000000 ] - [ 0.0005719500000000, 0.0002784800000000, -0.0006409400000000 ] - [ -0.0033967100000000, -0.0141396100000000, -0.0165665400000000 ] - [ -0.0002892500000000, 0.0005160400000000, 0.0009356400000000 ] - [ -0.0253274400000000, -0.0973905600000000, -0.1095496100000000 ] - [ 0.0000154700000000, 0.0000992300000000, -0.0000306100000000 ] - [ 0.0002417600000000, 0.0000322500000000, 0.0001908700000000 ] - [ -0.0013617000000000, -0.0042106000000000, 0.0014794000000000 ] - [ -0.0007064900000000, -0.0007116900000000, -0.0000687800000000 ] - [ 0.0000391300000000, -0.0000047600000000, -0.0003103500000000 ] - [ 0.0007835300000000, 0.0003206400000000, -0.0004847200000000 ] - [ -0.0002132600000000, 0.0005499500000000, -0.0003471300000000 ] - [ -0.0005624100000000, 0.0000363900000000, 0.0002965400000000 ] - [ 0.0004613900000000, 0.0001184700000000, -0.0000769800000000 ] - [ 0.0000672700000000, -0.0001763500000000, -0.0000775900000000 ] - [ -0.0002383500000000, -0.0006753300000000, 0.0008649100000000 ] - [ -0.0000828000000000, 0.0003722400000000, -0.0007347500000000 ] - [ 0.0001380300000000, -0.0000518500000000, -0.0000158600000000 ] - [ 0.0003283600000000, -0.0000250700000000, 0.0001901700000000 ] - [ -0.0004315100000000, 0.0004116600000000, 0.0003597000000000 ] - [ -0.0002224800000000, -0.0000791000000000, 0.0000483600000000 ] - [ 0.0000553500000000, 0.0000103300000000, -0.0003783100000000 ] - [ 0.0000387500000000, -0.0000946600000000, 0.0003566200000000 ] - [ -0.0001785000000000, -0.0005028700000000, -0.0003023400000000 ] - [ -0.0003907200000000, 0.0000052100000000, -0.0000301800000000 ] - [ 0.0003868700000000, -0.0000188700000000, -0.0000330100000000 ] - [ 0.0002474300000000, 0.0005129000000000, -0.0003215700000000 ] - [ -0.0000709400000000, 0.0003076500000000, 0.0005297000000000 ] - [ -0.0000171300000000, -0.0000571700000000, -0.0003662800000000 ] - [ -0.0002917100000000, 0.0000532600000000, -0.0000528200000000 ] - [ 0.0001197900000000, 0.0000990400000000, 0.0001593800000000 ] - [ -0.0002313500000000, -0.0000316000000000, 0.0002000400000000 ] - [ 0.0002241500000000, 0.0000505600000000, -0.0000440200000000 ] - [ -0.0000414700000000, -0.0000050500000000, -0.0003372600000000 ] - [ 0.0000395000000000, 0.0002682800000000, 0.0004869400000000 ] - [ -0.0003027100000000, 0.0005427700000000, -0.0003515400000000 ] - [ -0.0003631600000000, -0.0000375100000000, -0.0000075300000000 ] - [ 0.0002714300000000, 0.0002557300000000, 0.0001639200000000 ] - [ 0.0001497700000000, -0.0001351900000000, -0.0000647000000000 ] - [ 0.0000734600000000, 0.0000342300000000, 0.0002032400000000 ] - [ -0.0000080800000000, 0.0004118500000000, -0.0008056100000000 ] - [ -0.0003033500000000, 0.0001002000000000, -0.0000491600000000 ] - [ 0.0003507700000000, 0.0004133000000000, 0.0003286300000000 ] - [ -0.0003070600000000, 0.0003791900000000, 0.0003129400000000 ] - [ 0.0003027600000000, 0.0001194000000000, -0.0000457300000000 ] - [ 0.0000240700000000, 0.0003981000000000, -0.0007283400000000 ] - [ -0.0000786600000000, -0.0000218600000000, 0.0002388300000000 ] - [ -0.0001531000000000, -0.0001777800000000, -0.0001035400000000 ] - [ -0.0002985100000000, 0.0002289100000000, 0.0001363000000000 ] - [ 0.0003582300000000, -0.0001827800000000, 0.0000655700000000 ] - [ 0.0001465800000000, 0.0000530700000000, -0.0000385300000000 ] - [ 0.0000324300000000, 0.0000811300000000, 0.0003024500000000 ] - [ -0.0000045300000000, -0.0005269000000000, -0.0008464900000000 ] - [ -0.0003523000000000, -0.0000654000000000, -0.0000703800000000 ] - [ 0.0002477700000000, -0.0001346800000000, 0.0002300700000000 ] - [ -0.0003831100000000, -0.0005649200000000, 0.0003831100000000 ] - [ 0.0003610200000000, -0.0001187200000000, -0.0000485900000000 ] - [ -0.0000071400000000, -0.0001579800000000, -0.0004766200000000 ] - [ -0.0001438000000000, -0.0000964500000000, 0.0001572300000000 ] - [ -0.0002511700000000, 0.0004109200000000, -0.0002548000000000 ] - [ -0.0001646200000000, -0.0003323800000000, 0.0002655100000000 ] - [ 0.0002113500000000, 0.0002151200000000, 0.0001794500000000 ] - [ 0.0003379400000000, -0.0003023900000000, -0.0002021700000000 ] - [ -0.0001011400000000, -0.0006042800000000, 0.0008744500000000 ] - [ 0.0000860900000000, 0.0003717200000000, -0.0006648300000000 ] - [ -0.0014666400000000, -0.0000176500000000, -0.0003344600000000 ] - [ -0.0008184400000000, -0.0002190000000000, 0.0002479900000000 ] - [ -0.0001975800000000, 0.0003756400000000, 0.0002777200000000 ] - [ 0.0012953500000000, -0.0001477900000000, -0.0001245000000000 ] - [ -0.0003390600000000, -0.0001266500000000, 0.0003575300000000 ] - [ -0.0001972000000000, 0.0002194200000000, 0.0001230400000000 ] - [ -0.0016771100000000, -0.0008091800000000, -0.0018240700000000 ] - [ 0.0004688300000000, 0.0008427000000000, -0.0000991700000000 ] - [ 0.0003516600000000, -0.0000748200000000, 0.0000195000000000 ] - [ 0.0002322000000000, 0.0004702200000000, -0.0002899000000000 ] - [ -0.0000186900000000, 0.0002081000000000, 0.0004391700000000 ] - [ -0.0000161000000000, -0.0000969800000000, -0.0004184400000000 ] - [ -0.0001768800000000, 0.0000074000000000, -0.0000356000000000 ] - [ 0.0003239100000000, -0.0001830300000000, 0.0002557500000000 ] - [ -0.0002434500000000, -0.0000702000000000, 0.0002135000000000 ] - [ 0.0002268200000000, 0.0000170400000000, -0.0000468200000000 ] - [ 0.0000539300000000, -0.0001588700000000, -0.0004920000000000 ] - [ 0.0000467700000000, 0.0002454100000000, 0.0004752700000000 ] - [ -0.0001542100000000, 0.0004344300000000, -0.0002388300000000 ] - [ -0.0003737600000000, -0.0000549500000000, -0.0000072100000000 ] - [ 0.0003351200000000, 0.0002216300000000, 0.0001055900000000 ] - [ 0.0001231600000000, -0.0001675200000000, -0.0001019900000000 ] - [ 0.0000679000000000, 0.0000259700000000, 0.0002142100000000 ] - [ -0.0000499200000000, 0.0004116700000000, -0.0007185900000000 ] - [ -0.0001897900000000, 0.0001254700000000, -0.0000365900000000 ] - [ 0.0003799300000000, 0.0004508700000000, 0.0003485300000000 ] - [ -0.0004235700000000, 0.0004801300000000, 0.0003736300000000 ] - [ 0.0002015800000000, 0.0001084300000000, -0.0000423300000000 ] - [ 0.0000316000000000, 0.0004385700000000, -0.0007855100000000 ] - [ -0.0000417100000000, 0.0000955500000000, 0.0002054700000000 ] - [ -0.0001233700000000, -0.0001213600000000, -0.0000647200000000 ] - [ -0.0003034900000000, 0.0002541200000000, 0.0001386900000000 ] - [ -0.0012403600000000, 0.0063641200000000, 0.0043731300000000 ] - [ -0.0043441300000000, 0.0006856600000000, -0.0009041100000000 ] - [ 0.0003897300000000, 0.0021214800000000, -0.0002564100000000 ] - [ 0.0000764200000000, -0.0005654000000000, -0.0001159400000000 ] - [ -0.0004057600000000, 0.0004868800000000, -0.0000320200000000 ] - [ 0.0004735100000000, 0.0003165700000000, -0.0000385900000000 ] - [ -0.0007326400000000, 0.0014757400000000, -0.0001845700000000 ] - [ 0.0005300700000000, 0.0013504600000000, -0.0001926400000000 ] - [ -0.0002639900000000, -0.0011287800000000, -0.0001870600000000 ] - [ 0.0015299200000000, -0.0019201600000000, -0.0000441300000000 ] - [ -0.0014262000000000, 0.0007549200000000, -0.0000811900000000 ] - [ 0.0133599400000000, 0.0055500200000000, 0.0078404800000000 ] - [ -0.0003865600000000, -0.0000503000000000, -0.0000855600000000 ] - [ 0.0002833900000000, 0.0000670200000000, -0.0000863300000000 ] - [ -0.0001994400000000, 0.0014244200000000, -0.0002156300000000 ] - [ 0.0004017100000000, 0.0016139000000000, -0.0002196700000000 ] - [ 0.0006046500000000, 0.0034664200000000, -0.0065789700000000 ] - [ -0.0006965400000000, -0.0026104200000000, -0.0007149000000000 ] - [ 0.0005704100000000, -0.0002936800000000, 0.0004463900000000 ] - [ -0.0076677400000000, -0.0041746000000000, -0.0112218700000000 ] - [ 0.0269244600000000, 0.1056477700000000, 0.1352147300000000 ] - [ -0.0000140700000000, -0.0006199700000000, -0.0005124900000000 ] - [ -0.0001811500000000, 0.0014287500000000, -0.0013169600000000 ] - [ 0.0002306000000000, -0.0006380400000000, 0.0008424700000000 ] - [ 0.0005525700000000, -0.0007268700000000, -0.0005344300000000 ] - [ -0.0002047900000000, 0.0014371700000000, 0.0000814500000000 ] - [ -0.0013949800000000, -0.0017191100000000, 0.0000323200000000 ] - [ -0.0000649300000000, -0.0003876300000000, 0.0004950500000000 ] - [ 0.0006412500000000, 0.0000601000000000, 0.0000632400000000 ] - [ 0.0008600100000000, 0.0018206000000000, 0.0001156600000000 ] - [ 0.0003370400000000, -0.0001850000000000, 0.0000754300000000 ] - [ 0.0005490600000000, 0.0002061100000000, -0.0002082400000000 ] - [ -0.0001536700000000, -0.0001541100000000, 0.0009424000000000 ] - [ -0.0004973300000000, 0.0008208600000000, -0.0007190500000000 ] - [ 0.0002619200000000, -0.0001241700000000, -0.0002900100000000 ] - [ -0.0000751900000000, 0.0007528100000000, 0.0009362500000000 ] - [ 0.0002547800000000, 0.0005594800000000, -0.0003520000000000 ] - [ -0.0004797200000000, -0.0000649700000000, 0.0001215300000000 ] - [ -0.0000249700000000, 0.0004114200000000, -0.0000794600000000 ] - [ -0.0000632800000000, 0.0002320500000000, 0.0001774600000000 ] - [ -0.0001633400000000, -0.0003237700000000, 0.0002394800000000 ] - [ 0.0000618700000000, -0.0009227700000000, -0.0000884600000000 ] - [ 0.0008260900000000, -0.0000848600000000, 0.0001875300000000 ] - [ -0.0006825600000000, -0.0006308400000000, -0.0004916900000000 ] - [ -0.0002789600000000, -0.0005422600000000, 0.0008546400000000 ] - [ -0.0003014300000000, -0.0004438900000000, -0.0003347800000000 ] - [ 0.0003206800000000, -0.0003572900000000, -0.0003121800000000 ] - [ 0.0005018800000000, -0.0005409400000000, 0.0008572600000000 ] - [ 0.0008430400000000, -0.0007139200000000, -0.0005017800000000 ] - [ -0.0007901500000000, 0.0000059600000000, 0.0001815500000000 ] - [ 0.0000313400000000, -0.0008392000000000, -0.0000803000000000 ] - [ 0.0002709500000000, -0.0003197300000000, 0.0002467400000000 ] - [ -0.0000864600000000, -0.0002334000000000, 0.0000702800000000 ] - [ -0.0002625700000000, -0.0001685700000000, -0.0000985000000000 ] - [ 0.0008886900000000, -0.0005076800000000, 0.0001985000000000 ] - [ -0.0005323700000000, -0.0001157600000000, -0.0003244700000000 ] - [ -0.0004569400000000, -0.0004501200000000, 0.0010092300000000 ] - [ -0.0004148000000000, -0.0002337700000000, -0.0001929500000000 ] - [ 0.0005233700000000, -0.0001479800000000, -0.0002545300000000 ] - [ 0.0003207300000000, -0.0002467200000000, 0.0009483900000000 ] - [ 0.0005410200000000, -0.0000610000000000, -0.0003795800000000 ] - [ -0.0008811300000000, -0.0004630200000000, 0.0001972200000000 ] - [ 0.0002239700000000, 0.0000535100000000, -0.0000812100000000 ] - [ 0.0000885700000000, -0.0001466000000000, 0.0000983200000000 ] - [ -0.0000420300000000, 0.0002920100000000, 0.0000783100000000 ] - [ -0.0001492100000000, -0.0000056600000000, -0.0000902800000000 ] - [ 0.0008404900000000, 0.0002953300000000, 0.0002162400000000 ] - [ -0.0005262000000000, 0.0003163400000000, -0.0003816500000000 ] - [ -0.0003505100000000, 0.0004719600000000, 0.0009897100000000 ] - [ -0.0004188700000000, -0.0000569500000000, -0.0002199900000000 ] - [ 0.0005047300000000, 0.0003972900000000, -0.0001950500000000 ] - [ 0.0003327700000000, -0.0003119000000000, 0.0008838000000000 ] - [ 0.0008684900000000, -0.0003291700000000, -0.0004608500000000 ] - [ -0.0010012400000000, 0.0006976300000000, 0.0002062100000000 ] - [ 0.0004242400000000, 0.0000793000000000, -0.0000731400000000 ] - [ 0.0003403000000000, -0.0000693600000000, 0.0001134000000000 ] - [ -0.0008357000000000, 0.0002480000000000, 0.0002554600000000 ] - [ -0.0001491400000000, 0.0013361500000000, -0.0002739700000000 ] - [ 0.0016732200000000, -0.0000830700000000, 0.0003892100000000 ] - [ -0.0020211100000000, 0.0000304000000000, -0.0009279600000000 ] - [ -0.0006335600000000, -0.0002932400000000, 0.0009659400000000 ] - [ 0.0002915700000000, 0.0012368600000000, -0.0003864300000000 ] - [ 0.0006136200000000, -0.0003872700000000, -0.0001534600000000 ] - [ 0.0002632700000000, 0.0020428000000000, 0.0007180900000000 ] - [ 0.0018888200000000, 0.0000031400000000, -0.0012915700000000 ] - [ -0.0023968200000000, -0.0011280200000000, 0.0001859800000000 ] - [ 0.0003170000000000, -0.0004701300000000, -0.0003720500000000 ] - [ 0.0015778400000000, -0.0024943400000000, 0.0001741600000000 ] - [ -0.0001675200000000, -0.0002432800000000, 0.0002006200000000 ] - [ -0.0000428200000000, -0.0006714300000000, -0.0000802600000000 ] - [ 0.0007615900000000, 0.0001342000000000, 0.0001821800000000 ] - [ -0.0006624500000000, -0.0005330000000000, -0.0004631100000000 ] - [ -0.0002951300000000, -0.0004231800000000, 0.0008703600000000 ] - [ -0.0003320400000000, -0.0002114300000000, -0.0002935300000000 ] - [ 0.0003057200000000, -0.0002947900000000, -0.0003078300000000 ] - [ 0.0001594800000000, -0.0002350000000000, 0.0008737300000000 ] - [ 0.0005180700000000, -0.0004343300000000, -0.0004331200000000 ] - [ -0.0007766300000000, 0.0000577500000000, 0.0001887800000000 ] - [ -0.0000422400000000, -0.0007394800000000, -0.0000910800000000 ] - [ 0.0000611900000000, -0.0002275000000000, 0.0001890800000000 ] - [ -0.0000075000000000, -0.0001789300000000, 0.0000784700000000 ] - [ -0.0002103600000000, -0.0001031100000000, -0.0000911300000000 ] - [ 0.0007559500000000, -0.0004911200000000, 0.0001956200000000 ] - [ -0.0003802900000000, -0.0001286600000000, -0.0003600900000000 ] - [ -0.0001766400000000, -0.0001736300000000, 0.0009382800000000 ] - [ -0.0004309000000000, -0.0002573000000000, -0.0002155900000000 ] - [ 0.0002283600000000, -0.0003144100000000, -0.0001314100000000 ] - [ 0.0003060900000000, -0.0003396900000000, 0.0009646800000000 ] - [ 0.0003628000000000, -0.0001948100000000, -0.0002975900000000 ] - [ -0.0007734100000000, -0.0005442200000000, 0.0002012000000000 ] - [ 0.0002532700000000, -0.0003980700000000, -0.0001223200000000 ] - [ 0.0000041500000000, -0.0002751600000000, 0.0000373900000000 ]- atom: 12 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037428000000000, 0.0020604700000000, -0.0010739800000000 ] - [ 0.0000883900000000, -0.0000921800000000, -0.0005230800000000 ] - [ 0.0000399600000000, -0.0006115300000000, -0.0004548600000000 ] - [ -0.0001663100000000, -0.0002826600000000, -0.0004147200000000 ] - [ 0.0001964000000000, 0.0012360100000000, -0.0002667200000000 ] - [ -0.0001456500000000, -0.0014211300000000, -0.0001920400000000 ] - [ -0.0000116500000000, -0.0005448000000000, -0.0004602300000000 ] - [ 0.0001419500000000, -0.0009054200000000, -0.0004572000000000 ] - [ 0.0001003700000000, -0.0005631800000000, 0.0007648100000000 ] - [ 0.0036422000000000, 0.0148290700000000, 0.0158338700000000 ] - [ 0.0003172700000000, -0.0002918400000000, -0.0002466300000000 ] - [ 0.0244118400000000, 0.0966802200000000, 0.1031254600000000 ] - [ -0.0004934800000000, -0.0001803600000000, -0.0000602200000000 ] - [ 0.0003603800000000, -0.0005172200000000, 0.0003548400000000 ] - [ 0.0007774100000000, 0.0037700100000000, -0.0009424500000000 ] - [ 0.0012025000000000, 0.0006422400000000, -0.0000303700000000 ] - [ 0.0000043900000000, -0.0004915500000000, -0.0008394800000000 ] - [ -0.0008052100000000, -0.0001042200000000, 0.0011782200000000 ] - [ -0.0001659500000000, 0.0000909400000000, -0.0000436100000000 ] - [ -0.0001066500000000, -0.0003256100000000, -0.0001721700000000 ] - [ 0.0002081000000000, 0.0001674400000000, 0.0002046200000000 ] - [ 0.0003115300000000, -0.0004648900000000, -0.0003129600000000 ] - [ 0.0002652900000000, 0.0004507600000000, -0.0001746500000000 ] - [ 0.0000391500000000, 0.0001230600000000, -0.0004146200000000 ] - [ -0.0006207700000000, 0.0001323100000000, -0.0000746800000000 ] - [ 0.0002720900000000, 0.0005086800000000, 0.0003548100000000 ] - [ -0.0001701600000000, 0.0000726600000000, 0.0001857500000000 ] - [ 0.0007020000000000, 0.0001605500000000, -0.0001385000000000 ] - [ -0.0000112600000000, 0.0004850600000000, -0.0007710500000000 ] - [ -0.0000649500000000, -0.0001340600000000, 0.0003357600000000 ] - [ -0.0002007000000000, -0.0001383000000000, -0.0000881500000000 ] - [ -0.0002788000000000, 0.0002844700000000, 0.0001612900000000 ] - [ 0.0002823400000000, -0.0002702600000000, 0.0001637600000000 ] - [ 0.0001305500000000, 0.0001270900000000, -0.0000681100000000 ] - [ 0.0000971600000000, -0.0000810400000000, 0.0001615800000000 ] - [ -0.0000271300000000, -0.0004393200000000, -0.0007843300000000 ] - [ -0.0001846800000000, -0.0001338000000000, -0.0000367900000000 ] - [ 0.0004843500000000, -0.0005867700000000, 0.0003875900000000 ] - [ -0.0003711500000000, -0.0004541400000000, 0.0003458500000000 ] - [ 0.0002536000000000, -0.0001311700000000, -0.0000459600000000 ] - [ 0.0000863600000000, -0.0004921400000000, -0.0008138900000000 ] - [ -0.0000650000000000, -0.0000409400000000, 0.0002055100000000 ] - [ -0.0000743800000000, 0.0000968100000000, -0.0000375500000000 ] - [ -0.0003066500000000, -0.0002510100000000, 0.0001374400000000 ] - [ 0.0003990000000000, 0.0000312400000000, -0.0000349800000000 ] - [ 0.0002291800000000, -0.0005087600000000, -0.0003276900000000 ] - [ -0.0000486400000000, -0.0002640800000000, 0.0004911100000000 ] - [ -0.0000362600000000, 0.0000809500000000, -0.0003407700000000 ] - [ -0.0001730200000000, -0.0000209300000000, -0.0000405000000000 ] - [ 0.0002501800000000, 0.0000677100000000, 0.0002154200000000 ] - [ -0.0002941100000000, 0.0001019100000000, 0.0002311700000000 ] - [ 0.0001751600000000, -0.0000403200000000, -0.0000443600000000 ] - [ 0.0000201000000000, 0.0000948800000000, -0.0004185500000000 ] - [ 0.0000548300000000, -0.0002080400000000, 0.0004567500000000 ] - [ -0.0002257400000000, -0.0004654100000000, -0.0002882600000000 ] - [ -0.0003720300000000, 0.0000576600000000, -0.0000082000000000 ] - [ 0.0003114400000000, -0.0001047400000000, 0.0000637800000000 ] - [ 0.0002316100000000, 0.0005905800000000, -0.0003532800000000 ] - [ -0.0000087500000000, 0.0001491000000000, 0.0003935800000000 ] - [ -0.0000402400000000, 0.0000346200000000, -0.0002998400000000 ] - [ -0.0001256100000000, -0.0000141600000000, -0.0000193900000000 ] - [ 0.0003539400000000, -0.0003485800000000, 0.0003148700000000 ] - [ -0.0002182500000000, 0.0000842000000000, 0.0001608600000000 ] - [ 0.0001130900000000, 0.0000396900000000, -0.0000408700000000 ] - [ 0.0000514100000000, -0.0003370600000000, -0.0006723500000000 ] - [ 0.0001196900000000, 0.0003265500000000, 0.0005375900000000 ] - [ -0.0001272700000000, 0.0002307200000000, -0.0001360300000000 ] - [ -0.0005071000000000, 0.0000465000000000, -0.0001378700000000 ] - [ 0.0004588300000000, 0.0000725800000000, -0.0000494300000000 ] - [ 0.0000380700000000, -0.0003389900000000, -0.0001879000000000 ] - [ 0.0001281700000000, 0.0003812700000000, -0.0001869100000000 ] - [ -0.0001314400000000, 0.0001221500000000, -0.0004836800000000 ] - [ 0.0009869000000000, 0.0000969900000000, 0.0002441000000000 ] - [ 0.0014316200000000, 0.0007021800000000, 0.0002994000000000 ] - [ -0.0004059400000000, 0.0001074900000000, 0.0002682400000000 ] - [ -0.0008330700000000, 0.0002308600000000, 0.0000354500000000 ] - [ 0.0003904700000000, 0.0006261200000000, -0.0015214200000000 ] - [ 0.0001735800000000, -0.0004490500000000, 0.0005752300000000 ] - [ 0.0012961100000000, 0.0001646300000000, 0.0014354900000000 ] - [ -0.0011502400000000, -0.0005603100000000, 0.0002253800000000 ] - [ 0.0003179300000000, -0.0002138300000000, 0.0001109600000000 ] - [ 0.0001463200000000, 0.0001706000000000, -0.0001004200000000 ] - [ 0.0000447900000000, 0.0000192600000000, 0.0002524900000000 ] - [ -0.0000279200000000, -0.0003987900000000, -0.0007313100000000 ] - [ -0.0003003400000000, -0.0000876800000000, -0.0000539700000000 ] - [ 0.0002781400000000, -0.0003023100000000, 0.0002903000000000 ] - [ -0.0003587000000000, -0.0004147100000000, 0.0003320800000000 ] - [ 0.0002514600000000, -0.0000972700000000, -0.0000432200000000 ] - [ -0.0000100100000000, -0.0003377600000000, -0.0006591500000000 ] - [ -0.0000727000000000, -0.0000180900000000, 0.0002165600000000 ] - [ -0.0002240800000000, 0.0002052700000000, -0.0001505600000000 ] - [ -0.0002958100000000, -0.0002333800000000, 0.0001369600000000 ] - [ 0.0003346300000000, 0.0000654000000000, 0.0000236700000000 ] - [ 0.0002561400000000, -0.0004759200000000, -0.0002901800000000 ] - [ -0.0000430000000000, -0.0002558200000000, 0.0004800900000000 ] - [ 0.0000064100000000, 0.0000810100000000, -0.0004283900000000 ] - [ -0.0002883200000000, -0.0000466600000000, -0.0000533300000000 ] - [ 0.0002208300000000, 0.0000299800000000, 0.0001955500000000 ] - [ -0.0001767300000000, 0.0000004000000000, 0.0001705200000000 ] - [ 0.0002771600000000, -0.0000293300000000, -0.0000479100000000 ] - [ 0.0000124800000000, 0.0000542100000000, -0.0003611300000000 ] - [ 0.0000178900000000, -0.0003270600000000, 0.0004911900000000 ] - [ -0.0002557000000000, -0.0005222600000000, -0.0003273000000000 ] - [ -0.0003669100000000, 0.0000322400000000, -0.0000105500000000 ] - [ 0.0004481100000000, -0.0077214100000000, -0.0045596700000000 ] - [ 0.0052521600000000, -0.0019643900000000, 0.0006486900000000 ] - [ -0.0012420500000000, -0.0008375200000000, -0.0000076300000000 ] - [ 0.0007673600000000, 0.0018654100000000, -0.0001536600000000 ] - [ -0.0004392300000000, -0.0017848600000000, -0.0002369500000000 ] - [ 0.0003701200000000, -0.0016119600000000, -0.0002305700000000 ] - [ -0.0001089700000000, -0.0001948800000000, -0.0000825800000000 ] - [ 0.0003145900000000, -0.0000695100000000, -0.0000748500000000 ] - [ -0.0005842700000000, -0.0001564300000000, -0.0000812300000000 ] - [ -0.0006995700000000, 0.0006469400000000, -0.0002251800000000 ] - [ 0.0005922000000000, 0.0005316400000000, -0.0001904300000000 ] - [ -0.0127163400000000, -0.0043682800000000, -0.0081956200000000 ] - [ -0.0004580200000000, -0.0012412200000000, -0.0001831500000000 ] - [ 0.0005632900000000, -0.0013603700000000, -0.0001825000000000 ] - [ -0.0006494800000000, -0.0001451600000000, -0.0000507200000000 ] - [ 0.0004436400000000, -0.0003362800000000, -0.0000478100000000 ] - [ -0.0008041600000000, -0.0035343800000000, 0.0069430000000000 ] - [ 0.0004672900000000, 0.0019462900000000, 0.0005330600000000 ] - [ 0.0010400200000000, 0.0008291500000000, -0.0000541500000000 ] - [ 0.0066551800000000, 0.0037875600000000, 0.0107476100000000 ] - [ -0.0264944500000000, -0.1055816400000000, -0.1281832300000000 ] - [ -0.0007268200000000, 0.0005407900000000, 0.0000068300000000 ] - [ 0.0009214700000000, -0.0015194100000000, 0.0008615000000000 ] - [ 0.0003724900000000, 0.0004487100000000, 0.0009743600000000 ] - [ 0.0005825400000000, 0.0002739300000000, -0.0002881900000000 ] - [ -0.0014124800000000, -0.0009221500000000, 0.0003162800000000 ] - [ 0.0016216900000000, 0.0010557800000000, -0.0002177100000000 ] - [ 0.0002794500000000, 0.0003121300000000, -0.0002023900000000 ] - [ -0.0008615800000000, 0.0000132700000000, 0.0002300600000000 ] - [ -0.0010889200000000, -0.0011871300000000, -0.0003083000000000 ] - [ 0.0012804500000000, -0.0003441100000000, 0.0003118300000000 ] - [ -0.0016833100000000, 0.0002462000000000, -0.0006095900000000 ] - [ -0.0004504300000000, 0.0003469400000000, 0.0008730300000000 ] - [ -0.0002336400000000, -0.0007433400000000, 0.0002180100000000 ] - [ 0.0004745100000000, 0.0002099600000000, -0.0002159400000000 ] - [ 0.0006844600000000, -0.0005656500000000, 0.0008774900000000 ] - [ 0.0008764400000000, -0.0001030700000000, -0.0004676500000000 ] - [ -0.0011331500000000, -0.0004726400000000, 0.0002647400000000 ] - [ 0.0002560000000000, 0.0002532700000000, -0.0001037700000000 ] - [ 0.0002803200000000, -0.0001548100000000, 0.0001175400000000 ] - [ -0.0000499800000000, 0.0002488400000000, 0.0000534500000000 ] - [ -0.0002922700000000, 0.0002628500000000, -0.0000956100000000 ] - [ 0.0007845100000000, 0.0006229400000000, 0.0001988700000000 ] - [ -0.0004457000000000, 0.0001770500000000, -0.0003268300000000 ] - [ -0.0003238600000000, 0.0003538900000000, 0.0009613500000000 ] - [ -0.0004345200000000, 0.0003629300000000, -0.0001718000000000 ] - [ 0.0004152300000000, 0.0002754900000000, -0.0001959900000000 ] - [ 0.0000970800000000, 0.0003506200000000, 0.0009578500000000 ] - [ 0.0002805300000000, 0.0002608100000000, -0.0003161100000000 ] - [ -0.0008212400000000, 0.0005303500000000, 0.0002053200000000 ] - [ 0.0001977700000000, 0.0001775100000000, -0.0001030300000000 ] - [ -0.0000589300000000, 0.0002438300000000, 0.0000462100000000 ] - [ -0.0001276000000000, 0.0003139900000000, 0.0002240700000000 ] - [ 0.0000367500000000, 0.0008429200000000, -0.0000841700000000 ] - [ 0.0007217800000000, -0.0000249400000000, 0.0001866300000000 ] - [ -0.0005974700000000, 0.0005780400000000, -0.0004953900000000 ] - [ -0.0001461900000000, 0.0006475100000000, 0.0008058500000000 ] - [ -0.0003199300000000, 0.0003222500000000, -0.0003134300000000 ] - [ 0.0002116000000000, 0.0002331400000000, -0.0002557500000000 ] - [ 0.0002816600000000, 0.0004425000000000, 0.0008666700000000 ] - [ 0.0005912500000000, 0.0005236200000000, -0.0004420100000000 ] - [ -0.0007307800000000, -0.0000671600000000, 0.0001896500000000 ] - [ 0.0000020800000000, 0.0006208100000000, -0.0001026500000000 ] - [ 0.0001260800000000, 0.0002261900000000, 0.0001958700000000 ] - [ -0.0001704100000000, -0.0003735300000000, 0.0002158100000000 ] - [ -0.0000750300000000, -0.0006700700000000, -0.0000942500000000 ] - [ 0.0007720800000000, 0.0002381600000000, 0.0001698200000000 ] - [ -0.0006035000000000, -0.0007817600000000, -0.0004387800000000 ] - [ -0.0002509600000000, -0.0006697000000000, 0.0008247300000000 ] - [ -0.0003150700000000, -0.0000275300000000, -0.0002909600000000 ] - [ 0.0002295200000000, -0.0004852200000000, -0.0003127100000000 ] - [ 0.0002701600000000, 0.0001198300000000, 0.0009318600000000 ] - [ 0.0002581000000000, -0.0001288600000000, -0.0003586400000000 ] - [ -0.0006067100000000, -0.0001679100000000, 0.0001787900000000 ] - [ -0.0001984300000000, -0.0007506000000000, -0.0001097600000000 ] - [ -0.0001277300000000, -0.0000093000000000, 0.0001808700000000 ] - [ 0.0006320400000000, -0.0001727300000000, 0.0000362400000000 ] - [ -0.0000763600000000, -0.0006790900000000, 0.0000934400000000 ] - [ -0.0000613000000000, -0.0004529000000000, -0.0000027600000000 ] - [ 0.0009124500000000, 0.0004295400000000, 0.0001153800000000 ] - [ 0.0000352800000000, 0.0004904400000000, 0.0008485900000000 ] - [ -0.0010401200000000, -0.0011619000000000, -0.0001212100000000 ] - [ 0.0001205200000000, 0.0004746100000000, -0.0003560700000000 ] - [ 0.0003421600000000, -0.0018688000000000, 0.0011015800000000 ] - [ -0.0007841000000000, 0.0004662800000000, 0.0004776900000000 ] - [ 0.0008105400000000, 0.0006049100000000, 0.0002038400000000 ] - [ -0.0001116200000000, 0.0011642700000000, 0.0001821400000000 ] - [ -0.0013607500000000, 0.0025476400000000, 0.0000975300000000 ] - [ -0.0000458800000000, 0.0001674800000000, 0.0000927500000000 ] - [ -0.0001862100000000, 0.0000091700000000, -0.0001039100000000 ] - [ 0.0008493200000000, 0.0004013400000000, 0.0002040400000000 ] - [ -0.0004651100000000, 0.0000778200000000, -0.0003556100000000 ] - [ -0.0003070500000000, 0.0002335500000000, 0.0009456300000000 ] - [ -0.0004034300000000, 0.0001282600000000, -0.0002125400000000 ] - [ 0.0004305900000000, 0.0002137300000000, -0.0001989300000000 ] - [ 0.0004430900000000, 0.0000449800000000, 0.0009425200000000 ] - [ 0.0006070200000000, -0.0000202700000000, -0.0003838000000000 ] - [ -0.0008347400000000, 0.0004778700000000, 0.0001971800000000 ] - [ 0.0002731000000000, 0.0000780700000000, -0.0000921800000000 ] - [ 0.0001533300000000, 0.0001507000000000, 0.0001041900000000 ] - [ -0.0002077000000000, 0.0002594000000000, 0.0002167900000000 ] - [ -0.0000172500000000, 0.0007742300000000, -0.0000923700000000 ] - [ 0.0008555400000000, -0.0000416900000000, 0.0001892500000000 ] - [ -0.0007507800000000, 0.0005909900000000, -0.0004600000000000 ] - [ -0.0004264900000000, 0.0003691900000000, 0.0008778600000000 ] - [ -0.0003040400000000, 0.0003447300000000, -0.0002922900000000 ] - [ 0.0005090100000000, 0.0004022800000000, -0.0003795600000000 ] - [ 0.0002965800000000, 0.0005365400000000, 0.0008500900000000 ] - [ 0.0007699000000000, 0.0006587500000000, -0.0005235400000000 ] - [ -0.0008387500000000, 0.0000138200000000, 0.0001845500000000 ] - [ -0.0000283600000000, 0.0010772900000000, -0.0000610400000000 ] - [ 0.0002109500000000, 0.0003566600000000, 0.0002569300000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0060602700000000, -0.0007059200000000, 0.0013222400000000 ] - [ -0.0000284300000000, 0.0000822600000000, -0.0003932300000000 ] - [ -0.0000356800000000, 0.0006144800000000, -0.0004583900000000 ] - [ 0.0000840200000000, 0.0002359000000000, -0.0005005300000000 ] - [ 0.0002374000000000, -0.0012235400000000, -0.0007812200000000 ] - [ 0.0001866100000000, 0.0013536100000000, -0.0011102300000000 ] - [ 0.0000061300000000, 0.0005857800000000, -0.0004476000000000 ] - [ 0.0000259900000000, 0.0011139900000000, -0.0001614400000000 ] - [ 0.0004512200000000, -0.0003172000000000, -0.0002149000000000 ] - [ 0.0013975600000000, 0.0082283000000000, 0.0268128300000000 ] - [ -0.0005345300000000, 0.0005642900000000, 0.0013909200000000 ] - [ -0.0218011500000000, -0.1128644300000000, -0.2739055600000000 ] - [ 0.0001969400000000, -0.0000392400000000, 0.0000410500000000 ] - [ 0.0002910400000000, -0.0000036600000000, 0.0001920200000000 ] - [ -0.0027412000000000, -0.0031685700000000, 0.0044777000000000 ] - [ -0.0008397000000000, -0.0014144800000000, 0.0018361500000000 ] - [ 0.0000877300000000, -0.0000118700000000, -0.0003551600000000 ] - [ -0.0006850300000000, -0.0005874700000000, -0.0003330300000000 ] - [ -0.0001490500000000, 0.0004611200000000, -0.0002698600000000 ] - [ -0.0003215700000000, -0.0003262500000000, 0.0010897500000000 ] - [ 0.0004391000000000, 0.0000633700000000, 0.0000190500000000 ] - [ 0.0000906800000000, -0.0002436400000000, -0.0000924600000000 ] - [ -0.0003471900000000, -0.0004633700000000, 0.0007050200000000 ] - [ -0.0000658800000000, 0.0003372600000000, -0.0007293900000000 ] - [ 0.0000915000000000, -0.0000473900000000, -0.0000155600000000 ] - [ 0.0002744100000000, 0.0000118300000000, 0.0001852300000000 ] - [ -0.0004087300000000, 0.0003823500000000, 0.0003570000000000 ] - [ -0.0001126400000000, -0.0000847800000000, 0.0000548200000000 ] - [ 0.0000238900000000, 0.0000532900000000, -0.0004181500000000 ] - [ 0.0000257600000000, -0.0000996200000000, 0.0003605900000000 ] - [ -0.0001743100000000, -0.0004863400000000, -0.0002791200000000 ] - [ -0.0003701300000000, 0.0000224700000000, -0.0000106700000000 ] - [ 0.0003844900000000, -0.0000136300000000, -0.0000301200000000 ] - [ 0.0002571300000000, 0.0005327000000000, -0.0003354800000000 ] - [ -0.0000470000000000, 0.0003319200000000, 0.0005147300000000 ] - [ -0.0000148000000000, -0.0000407700000000, -0.0003435300000000 ] - [ -0.0003103800000000, 0.0000523700000000, -0.0000537200000000 ] - [ 0.0001112300000000, 0.0001131400000000, 0.0001583300000000 ] - [ -0.0002223000000000, -0.0000154000000000, 0.0001925700000000 ] - [ 0.0002510600000000, 0.0000555600000000, -0.0000486100000000 ] - [ -0.0000761500000000, 0.0000138400000000, -0.0003554200000000 ] - [ 0.0000401300000000, 0.0002720900000000, 0.0004899000000000 ] - [ -0.0002902800000000, 0.0005514200000000, -0.0003518400000000 ] - [ -0.0003527200000000, -0.0000434500000000, 0.0000007500000000 ] - [ 0.0002694100000000, 0.0002563500000000, 0.0001655300000000 ] - [ 0.0001906700000000, -0.0001499500000000, -0.0001034900000000 ] - [ 0.0000744100000000, 0.0000341800000000, 0.0002028900000000 ] - [ 0.0000011800000000, 0.0003905300000000, -0.0007397200000000 ] - [ -0.0003015400000000, 0.0000989100000000, -0.0000481500000000 ] - [ 0.0003511800000000, 0.0004157100000000, 0.0003296100000000 ] - [ -0.0002979800000000, 0.0003574300000000, 0.0003079500000000 ] - [ 0.0003050800000000, 0.0001090300000000, -0.0000503800000000 ] - [ 0.0000240200000000, 0.0004005100000000, -0.0007305700000000 ] - [ -0.0000713300000000, -0.0000261800000000, 0.0002475000000000 ] - [ -0.0001529100000000, -0.0001752500000000, -0.0001023400000000 ] - [ -0.0003047900000000, 0.0002250500000000, 0.0001281600000000 ] - [ 0.0003429800000000, -0.0001911600000000, 0.0000790500000000 ] - [ 0.0001579100000000, 0.0000723100000000, -0.0000536300000000 ] - [ 0.0000427300000000, 0.0000771600000000, 0.0002963400000000 ] - [ -0.0000022900000000, -0.0005171600000000, -0.0008300800000000 ] - [ -0.0004017100000000, -0.0000768200000000, -0.0000825700000000 ] - [ 0.0002309100000000, -0.0001321700000000, 0.0002245700000000 ] - [ -0.0003752700000000, -0.0005575200000000, 0.0003827900000000 ] - [ 0.0004093100000000, -0.0001202100000000, -0.0000542700000000 ] - [ -0.0000184600000000, -0.0001640100000000, -0.0004723300000000 ] - [ -0.0001642200000000, -0.0001092200000000, 0.0001403100000000 ] - [ -0.0002708800000000, 0.0004030000000000, -0.0002593800000000 ] - [ -0.0001691400000000, -0.0003343400000000, 0.0002517300000000 ] - [ 0.0002462100000000, 0.0001521300000000, 0.0000501100000000 ] - [ 0.0003072900000000, -0.0003231700000000, -0.0002084500000000 ] - [ -0.0002509900000000, -0.0005598500000000, 0.0009483600000000 ] - [ 0.0001184700000000, 0.0004066600000000, -0.0007296000000000 ] - [ -0.0009946700000000, -0.0000921400000000, -0.0002452300000000 ] - [ -0.0008571200000000, -0.0001865000000000, -0.0000568800000000 ] - [ -0.0002016700000000, 0.0003921700000000, 0.0003464000000000 ] - [ 0.0009004100000000, -0.0001062200000000, -0.0000019200000000 ] - [ -0.0005178400000000, -0.0006839500000000, 0.0013587400000000 ] - [ -0.0002926300000000, 0.0002375600000000, -0.0003622400000000 ] - [ 0.0003109000000000, -0.0022275500000000, -0.0010824000000000 ] - [ -0.0003115300000000, -0.0001340400000000, 0.0007338400000000 ] - [ 0.0003551700000000, -0.0000727100000000, 0.0000156000000000 ] - [ 0.0002300100000000, 0.0004718200000000, -0.0002905300000000 ] - [ -0.0000283100000000, 0.0002075100000000, 0.0004423900000000 ] - [ -0.0000176200000000, -0.0000929200000000, -0.0004158400000000 ] - [ -0.0001635500000000, 0.0000130300000000, -0.0000343700000000 ] - [ 0.0003294600000000, -0.0001813100000000, 0.0002552300000000 ] - [ -0.0002443700000000, -0.0000644300000000, 0.0002125000000000 ] - [ 0.0002058900000000, 0.0000187700000000, -0.0000444300000000 ] - [ 0.0000545500000000, -0.0001515200000000, -0.0004744800000000 ] - [ 0.0000509600000000, 0.0002547400000000, 0.0004839200000000 ] - [ -0.0001473500000000, 0.0004525200000000, -0.0002472200000000 ] - [ -0.0003857100000000, -0.0000417300000000, -0.0000210700000000 ] - [ 0.0003364600000000, 0.0002284200000000, 0.0001087800000000 ] - [ 0.0001082100000000, -0.0001398000000000, -0.0000674900000000 ] - [ 0.0000720000000000, 0.0000397400000000, 0.0002021900000000 ] - [ -0.0000915000000000, 0.0004768800000000, -0.0007400000000000 ] - [ -0.0001843100000000, 0.0001337100000000, -0.0000346800000000 ] - [ 0.0003884500000000, 0.0004712300000000, 0.0003570100000000 ] - [ -0.0004616800000000, 0.0005520400000000, 0.0003670000000000 ] - [ 0.0001914500000000, 0.0001226500000000, -0.0000402600000000 ] - [ 0.0000322200000000, 0.0004573900000000, -0.0008097700000000 ] - [ -0.0000264600000000, 0.0001448300000000, 0.0002184100000000 ] - [ -0.0001162900000000, -0.0001030300000000, -0.0000512900000000 ] - [ -0.0002935000000000, 0.0002675700000000, 0.0001518000000000 ] - [ -0.0060816000000000, 0.0100477500000000, -0.0009890800000000 ] - [ -0.0042194200000000, -0.0005621900000000, -0.0027452200000000 ] - [ 0.0006221700000000, 0.0006958100000000, -0.0004313500000000 ] - [ 0.0002318700000000, -0.0005294300000000, -0.0001035400000000 ] - [ -0.0004492600000000, 0.0006130900000000, -0.0000204300000000 ] - [ 0.0005516700000000, 0.0002966900000000, -0.0000378900000000 ] - [ -0.0007635800000000, 0.0014494500000000, -0.0001783900000000 ] - [ 0.0005041200000000, 0.0013263800000000, -0.0001899500000000 ] - [ -0.0003598100000000, -0.0011937400000000, -0.0001560400000000 ] - [ 0.0016889000000000, -0.0019507600000000, 0.0002092300000000 ] - [ -0.0018288700000000, 0.0005536800000000, 0.0001866400000000 ] - [ 0.0180783300000000, 0.0069490500000000, 0.0108652600000000 ] - [ -0.0003684200000000, -0.0000372700000000, -0.0000845400000000 ] - [ 0.0001935100000000, 0.0001319200000000, -0.0000859700000000 ] - [ -0.0001725800000000, 0.0014805900000000, -0.0002272700000000 ] - [ 0.0004063800000000, 0.0017745900000000, -0.0002329700000000 ] - [ 0.0013347200000000, 0.0030697800000000, -0.0089227000000000 ] - [ -0.0015167400000000, -0.0047655900000000, -0.0015551300000000 ] - [ 0.0004706000000000, 0.0000015200000000, -0.0004558500000000 ] - [ -0.0112234900000000, -0.0158680900000000, -0.0101808100000000 ] - [ 0.0183563800000000, 0.1087291000000000, 0.2536297300000000 ] - [ 0.0001268500000000, -0.0005564700000000, -0.0007632800000000 ] - [ 0.0014712700000000, 0.0019966900000000, -0.0031704300000000 ] - [ 0.0001227500000000, -0.0005944600000000, 0.0008158000000000 ] - [ -0.0004319200000000, -0.0006355100000000, -0.0000230500000000 ] - [ -0.0008712900000000, 0.0021736800000000, -0.0010924400000000 ] - [ -0.0004736000000000, -0.0004814900000000, 0.0006383100000000 ] - [ -0.0001775700000000, -0.0001712900000000, 0.0003416800000000 ] - [ 0.0004881600000000, 0.0002588400000000, -0.0002547600000000 ] - [ 0.0004923700000000, 0.0018400400000000, 0.0007955800000000 ] - [ 0.0003846400000000, -0.0002289900000000, 0.0001021300000000 ] - [ 0.0007415200000000, 0.0001968900000000, -0.0001538600000000 ] - [ -0.0001768400000000, -0.0000868500000000, 0.0009479500000000 ] - [ -0.0003842000000000, 0.0006183100000000, -0.0007697000000000 ] - [ 0.0002793000000000, -0.0000908100000000, -0.0002813400000000 ] - [ -0.0001449700000000, 0.0006939600000000, 0.0009808000000000 ] - [ 0.0003498800000000, 0.0005676000000000, -0.0003613100000000 ] - [ -0.0005629100000000, -0.0000789500000000, 0.0001256900000000 ] - [ 0.0000165400000000, 0.0004305000000000, -0.0000887000000000 ] - [ -0.0000335300000000, 0.0002250300000000, 0.0001557400000000 ] - [ -0.0001874000000000, -0.0003602500000000, 0.0002600100000000 ] - [ 0.0000524000000000, -0.0010519500000000, -0.0000773500000000 ] - [ 0.0008468900000000, -0.0000941100000000, 0.0001880000000000 ] - [ -0.0007293900000000, -0.0006773900000000, -0.0005150400000000 ] - [ -0.0002805200000000, -0.0005817200000000, 0.0008477600000000 ] - [ -0.0003797300000000, -0.0004469300000000, -0.0003446700000000 ] - [ 0.0003162100000000, -0.0003738200000000, -0.0003085400000000 ] - [ 0.0005621900000000, -0.0004964000000000, 0.0008916500000000 ] - [ 0.0008706600000000, -0.0007105700000000, -0.0005083600000000 ] - [ -0.0008147600000000, 0.0000055200000000, 0.0001840000000000 ] - [ 0.0000385500000000, -0.0008440000000000, -0.0000822000000000 ] - [ 0.0002858100000000, -0.0003166200000000, 0.0002484300000000 ] - [ -0.0001161700000000, -0.0002113100000000, 0.0000838100000000 ] - [ -0.0002727600000000, -0.0001558400000000, -0.0000957000000000 ] - [ 0.0008892100000000, -0.0005080600000000, 0.0001962800000000 ] - [ -0.0005619800000000, -0.0000736900000000, -0.0003521500000000 ] - [ -0.0004648900000000, -0.0002616400000000, 0.0009819300000000 ] - [ -0.0004163300000000, -0.0002349700000000, -0.0001937400000000 ] - [ 0.0005002000000000, -0.0001244200000000, -0.0002561000000000 ] - [ 0.0003210000000000, -0.0002512000000000, 0.0009497000000000 ] - [ 0.0005343300000000, -0.0000667200000000, -0.0003774500000000 ] - [ -0.0008707000000000, -0.0004447200000000, 0.0002006500000000 ] - [ 0.0002127300000000, 0.0000595200000000, -0.0000850600000000 ] - [ 0.0000840000000000, -0.0001489200000000, 0.0000983800000000 ] - [ -0.0001010200000000, 0.0002794300000000, 0.0000771200000000 ] - [ -0.0001738000000000, -0.0000108700000000, -0.0000838500000000 ] - [ 0.0008908800000000, 0.0003145800000000, 0.0002239900000000 ] - [ -0.0006127800000000, 0.0003071900000000, -0.0004130600000000 ] - [ -0.0003768400000000, 0.0004632900000000, 0.0009779600000000 ] - [ -0.0004423100000000, -0.0000591400000000, -0.0002156700000000 ] - [ 0.0005071100000000, 0.0004020100000000, -0.0001537700000000 ] - [ 0.0003674400000000, -0.0002965800000000, 0.0008818100000000 ] - [ 0.0010096000000000, -0.0002971700000000, -0.0004912100000000 ] - [ -0.0010510100000000, 0.0006844000000000, 0.0002232600000000 ] - [ 0.0004739900000000, 0.0002095800000000, -0.0001492800000000 ] - [ 0.0003974100000000, 0.0000021500000000, 0.0001598600000000 ] - [ -0.0006277300000000, 0.0002371800000000, 0.0000796600000000 ] - [ -0.0002227800000000, 0.0012800400000000, -0.0003819800000000 ] - [ 0.0013128600000000, 0.0000631700000000, 0.0003482600000000 ] - [ -0.0023696700000000, -0.0000868100000000, -0.0011043000000000 ] - [ -0.0006347900000000, -0.0002952300000000, 0.0010362000000000 ] - [ 0.0006087400000000, 0.0009937500000000, 0.0000150400000000 ] - [ 0.0007046000000000, -0.0004477500000000, 0.0001241800000000 ] - [ -0.0005714700000000, 0.0026292900000000, -0.0001035600000000 ] - [ 0.0029630500000000, -0.0000631100000000, -0.0016628400000000 ] - [ -0.0019778800000000, -0.0006425600000000, 0.0002161700000000 ] - [ 0.0023344200000000, -0.0022800300000000, 0.0003806100000000 ] - [ 0.0012563400000000, 0.0001858600000000, 0.0022147300000000 ] - [ -0.0001532200000000, -0.0002406200000000, 0.0002005700000000 ] - [ -0.0000292600000000, -0.0006573400000000, -0.0000856000000000 ] - [ 0.0007460100000000, 0.0001298700000000, 0.0001813800000000 ] - [ -0.0006343600000000, -0.0005366200000000, -0.0004541100000000 ] - [ -0.0002899600000000, -0.0004313700000000, 0.0008700900000000 ] - [ -0.0002995700000000, -0.0002073600000000, -0.0002886600000000 ] - [ 0.0003050500000000, -0.0003085200000000, -0.0003131600000000 ] - [ 0.0001229600000000, -0.0002707900000000, 0.0008564700000000 ] - [ 0.0005057600000000, -0.0004498000000000, -0.0004380200000000 ] - [ -0.0007527300000000, 0.0000387500000000, 0.0001874200000000 ] - [ -0.0000549200000000, -0.0007736700000000, -0.0000900600000000 ] - [ 0.0000528900000000, -0.0002444800000000, 0.0001956900000000 ] - [ 0.0000289700000000, -0.0002163100000000, 0.0000591800000000 ] - [ -0.0002083700000000, -0.0001515100000000, -0.0000947800000000 ] - [ 0.0007502800000000, -0.0005104000000000, 0.0001955300000000 ] - [ -0.0003229500000000, -0.0001975300000000, -0.0003376600000000 ] - [ -0.0000656600000000, -0.0002300500000000, 0.0008654800000000 ] - [ -0.0004365800000000, -0.0002860000000000, -0.0002129800000000 ] - [ 0.0002206500000000, -0.0003343300000000, -0.0001839300000000 ] - [ 0.0003051500000000, -0.0003856300000000, 0.0009726800000000 ] - [ 0.0003381700000000, -0.0002524800000000, -0.0002777100000000 ] - [ -0.0007731100000000, -0.0005905800000000, 0.0002005500000000 ] - [ 0.0002840300000000, -0.0005356700000000, -0.0001190000000000 ] - [ -0.0000002200000000, -0.0003080400000000, 0.0000093600000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0061799800000000, 0.0007469400000000, -0.0022662000000000 ] - [ 0.0000290400000000, -0.0000833500000000, -0.0005184500000000 ] - [ 0.0000365900000000, -0.0006295900000000, -0.0004510800000000 ] - [ -0.0000862500000000, -0.0002423700000000, -0.0004071300000000 ] - [ -0.0002394000000000, 0.0012522600000000, -0.0001214900000000 ] - [ -0.0001911700000000, -0.0013874500000000, 0.0002147400000000 ] - [ -0.0000067200000000, -0.0005993600000000, -0.0004617700000000 ] - [ -0.0000246700000000, -0.0011383500000000, -0.0007519500000000 ] - [ 0.0002156600000000, 0.0000280100000000, 0.0003537200000000 ] - [ -0.0010580800000000, -0.0071433500000000, -0.0265188300000000 ] - [ 0.0005729200000000, -0.0003474400000000, -0.0007220600000000 ] - [ 0.0193824000000000, 0.1000809000000000, 0.2560222700000000 ] - [ -0.0006833200000000, -0.0000421800000000, -0.0001320400000000 ] - [ 0.0003105100000000, -0.0004836600000000, 0.0003539200000000 ] - [ 0.0021984300000000, 0.0027679400000000, -0.0040324200000000 ] - [ 0.0013462300000000, 0.0013480600000000, -0.0019403100000000 ] - [ -0.0000452100000000, -0.0004875500000000, -0.0007975800000000 ] - [ 0.0006630400000000, 0.0008171000000000, 0.0010438700000000 ] - [ -0.0002312600000000, 0.0001779200000000, -0.0001194700000000 ] - [ -0.0003444800000000, 0.0000385500000000, -0.0009680700000000 ] - [ 0.0002280100000000, 0.0002249500000000, 0.0001122400000000 ] - [ 0.0002907000000000, -0.0004001500000000, -0.0003001400000000 ] - [ 0.0003793900000000, 0.0002450100000000, -0.0000215400000000 ] - [ 0.0000234000000000, 0.0001559500000000, -0.0004168700000000 ] - [ -0.0005792000000000, 0.0001290600000000, -0.0000748800000000 ] - [ 0.0003260000000000, 0.0004751500000000, 0.0003607200000000 ] - [ -0.0001900700000000, 0.0000975300000000, 0.0001861400000000 ] - [ 0.0005988100000000, 0.0001674300000000, -0.0001463200000000 ] - [ 0.0000191700000000, 0.0004456300000000, -0.0007336900000000 ] - [ -0.0000537400000000, -0.0001281500000000, 0.0003296800000000 ] - [ -0.0002056200000000, -0.0001527200000000, -0.0001102200000000 ] - [ -0.0002987000000000, 0.0002684200000000, 0.0001427500000000 ] - [ 0.0002840300000000, -0.0002770300000000, 0.0001620900000000 ] - [ 0.0001207100000000, 0.0001051500000000, -0.0000527000000000 ] - [ 0.0000749600000000, -0.0001089600000000, 0.0001724500000000 ] - [ -0.0000292200000000, -0.0004581700000000, -0.0008093600000000 ] - [ -0.0001657700000000, -0.0001341400000000, -0.0000356200000000 ] - [ 0.0004949000000000, -0.0006042400000000, 0.0003892400000000 ] - [ -0.0003804800000000, -0.0004718000000000, 0.0003534600000000 ] - [ 0.0002276800000000, -0.0001374600000000, -0.0000412400000000 ] - [ 0.0001222500000000, -0.0005146100000000, -0.0007977400000000 ] - [ -0.0000672100000000, -0.0000476400000000, 0.0001988100000000 ] - [ -0.0000861900000000, 0.0000854900000000, -0.0000355100000000 ] - [ -0.0003169500000000, -0.0002461000000000, 0.0001298000000000 ] - [ 0.0004021400000000, 0.0000285400000000, -0.0000383900000000 ] - [ 0.0001894600000000, -0.0004977500000000, -0.0002913100000000 ] - [ -0.0000498100000000, -0.0002657500000000, 0.0004923100000000 ] - [ -0.0000455100000000, 0.0000995400000000, -0.0004023700000000 ] - [ -0.0001746900000000, -0.0000206300000000, -0.0000412500000000 ] - [ 0.0002482800000000, 0.0000611800000000, 0.0002128800000000 ] - [ -0.0003023200000000, 0.0001200000000000, 0.0002346800000000 ] - [ 0.0001726200000000, -0.0000311700000000, -0.0000395100000000 ] - [ 0.0000199100000000, 0.0000901700000000, -0.0004136400000000 ] - [ 0.0000474300000000, -0.0002043000000000, 0.0004477600000000 ] - [ -0.0002268900000000, -0.0004705400000000, -0.0002908300000000 ] - [ -0.0003663200000000, 0.0000599400000000, -0.0000012400000000 ] - [ 0.0003269200000000, -0.0000946800000000, 0.0000492900000000 ] - [ 0.0002222400000000, 0.0005765200000000, -0.0003413400000000 ] - [ -0.0000184800000000, 0.0001528700000000, 0.0003986400000000 ] - [ -0.0000421000000000, 0.0000297700000000, -0.0003107900000000 ] - [ -0.0000745400000000, -0.0000019400000000, -0.0000065700000000 ] - [ 0.0003709900000000, -0.0003508300000000, 0.0003201200000000 ] - [ -0.0002236400000000, 0.0000837800000000, 0.0001584100000000 ] - [ 0.0000644400000000, 0.0000424300000000, -0.0000350700000000 ] - [ 0.0000629800000000, -0.0003312100000000, -0.0006764300000000 ] - [ 0.0001415200000000, 0.0003423300000000, 0.0005561500000000 ] - [ -0.0001074800000000, 0.0002387900000000, -0.0001314400000000 ] - [ -0.0005047700000000, 0.0000513600000000, -0.0001267400000000 ] - [ 0.0004263900000000, 0.0001341100000000, 0.0000778200000000 ] - [ 0.0000681000000000, -0.0003184200000000, -0.0001815600000000 ] - [ 0.0002807600000000, 0.0003433100000000, -0.0002700800000000 ] - [ -0.0001660300000000, 0.0000851000000000, -0.0004162800000000 ] - [ 0.0005379600000000, 0.0001737900000000, 0.0001610100000000 ] - [ 0.0014832900000000, 0.0006805100000000, 0.0006050000000000 ] - [ -0.0004029200000000, 0.0000877900000000, 0.0001971500000000 ] - [ -0.0004418100000000, 0.0001889700000000, -0.0000873600000000 ] - [ 0.0005743000000000, 0.0011951900000000, -0.0025448000000000 ] - [ 0.0002717000000000, -0.0004730200000000, 0.0010647500000000 ] - [ -0.0006831200000000, 0.0016139900000000, 0.0007244100000000 ] - [ -0.0003663500000000, 0.0004174000000000, -0.0006187200000000 ] - [ 0.0003141100000000, -0.0002167700000000, 0.0001157100000000 ] - [ 0.0001483100000000, 0.0001672400000000, -0.0000984600000000 ] - [ 0.0000557200000000, 0.0000180500000000, 0.0002464200000000 ] - [ -0.0000263200000000, -0.0004050800000000, -0.0007359100000000 ] - [ -0.0003154900000000, -0.0000938900000000, -0.0000551200000000 ] - [ 0.0002713600000000, -0.0003029900000000, 0.0002901100000000 ] - [ -0.0003578600000000, -0.0004215100000000, 0.0003331100000000 ] - [ 0.0002734400000000, -0.0000997500000000, -0.0000453900000000 ] - [ -0.0000112800000000, -0.0003459800000000, -0.0006772600000000 ] - [ -0.0000785800000000, -0.0000300300000000, 0.0002045500000000 ] - [ -0.0002320300000000, 0.0001861000000000, -0.0001416600000000 ] - [ -0.0002832400000000, -0.0002478000000000, 0.0001520800000000 ] - [ 0.0003334300000000, 0.0000569300000000, 0.0000194900000000 ] - [ 0.0002731800000000, -0.0005072700000000, -0.0003269600000000 ] - [ -0.0000476000000000, -0.0002715800000000, 0.0004933100000000 ] - [ 0.0000489500000000, 0.0000121400000000, -0.0004033900000000 ] - [ -0.0002958800000000, -0.0000563500000000, -0.0000552600000000 ] - [ 0.0002101700000000, 0.0000047200000000, 0.0001849800000000 ] - [ -0.0001352600000000, -0.0000779900000000, 0.0001741700000000 ] - [ 0.0002884600000000, -0.0000448300000000, -0.0000497300000000 ] - [ 0.0000113100000000, 0.0000318100000000, -0.0003324400000000 ] - [ 0.0000014000000000, -0.0003797200000000, 0.0004779500000000 ] - [ -0.0002647200000000, -0.0005447800000000, -0.0003433600000000 ] - [ -0.0003775400000000, 0.0000167300000000, -0.0000248500000000 ] - [ 0.0053227200000000, -0.0115339200000000, 0.0006974000000000 ] - [ 0.0051622000000000, -0.0007088900000000, 0.0025206400000000 ] - [ -0.0014909700000000, 0.0005717000000000, 0.0001690000000000 ] - [ 0.0006179100000000, 0.0018442600000000, -0.0001665100000000 ] - [ -0.0003963100000000, -0.0019305400000000, -0.0002500900000000 ] - [ 0.0002912600000000, -0.0016072600000000, -0.0002326600000000 ] - [ -0.0000735300000000, -0.0001816100000000, -0.0000886300000000 ] - [ 0.0003404100000000, -0.0000559900000000, -0.0000766300000000 ] - [ -0.0004890700000000, -0.0000816900000000, -0.0001107100000000 ] - [ -0.0008728700000000, 0.0006948500000000, -0.0004839400000000 ] - [ 0.0010134500000000, 0.0007332400000000, -0.0004600100000000 ] - [ -0.0176603300000000, -0.0057513100000000, -0.0113439200000000 ] - [ -0.0004778000000000, -0.0012638600000000, -0.0001850600000000 ] - [ 0.0006570000000000, -0.0014362500000000, -0.0001838900000000 ] - [ -0.0006808100000000, -0.0002133200000000, -0.0000381400000000 ] - [ 0.0004396800000000, -0.0005138100000000, -0.0000332400000000 ] - [ -0.0015642700000000, -0.0032058000000000, 0.0093126800000000 ] - [ 0.0013313900000000, 0.0041876300000000, 0.0014053500000000 ] - [ 0.0011461000000000, 0.0005428200000000, 0.0008460100000000 ] - [ 0.0103846300000000, 0.0160595200000000, 0.0098073300000000 ] - [ -0.0165537900000000, -0.0975765800000000, -0.2360748100000000 ] - [ -0.0008744000000000, 0.0004850700000000, 0.0002645400000000 ] - [ -0.0007388900000000, -0.0021114700000000, 0.0027376100000000 ] - [ 0.0004813100000000, 0.0004149600000000, 0.0010048800000000 ] - [ 0.0015731500000000, 0.0001885600000000, -0.0007991500000000 ] - [ -0.0007529700000000, -0.0016666000000000, 0.0014862000000000 ] - [ 0.0007281300000000, -0.0001660500000000, -0.0008288700000000 ] - [ 0.0003962700000000, 0.0000992800000000, -0.0000553900000000 ] - [ -0.0007164800000000, -0.0001861100000000, 0.0005469400000000 ] - [ -0.0007311900000000, -0.0012180200000000, -0.0009898600000000 ] - [ 0.0012373900000000, -0.0003075800000000, 0.0002864100000000 ] - [ -0.0018914500000000, 0.0002573600000000, -0.0006674500000000 ] - [ -0.0004269000000000, 0.0002802600000000, 0.0008694200000000 ] - [ -0.0003495200000000, -0.0005498700000000, 0.0002686100000000 ] - [ 0.0004585900000000, 0.0001787600000000, -0.0002256800000000 ] - [ 0.0007555800000000, -0.0005178200000000, 0.0008364700000000 ] - [ 0.0007844200000000, -0.0001178300000000, -0.0004587600000000 ] - [ -0.0010531700000000, -0.0004628000000000, 0.0002603600000000 ] - [ 0.0002160400000000, 0.0002324300000000, -0.0000926900000000 ] - [ 0.0002517900000000, -0.0001517100000000, 0.0001386500000000 ] - [ -0.0000243900000000, 0.0002907700000000, 0.0000306500000000 ] - [ -0.0002852900000000, 0.0004017500000000, -0.0001049200000000 ] - [ 0.0007622300000000, 0.0006391800000000, 0.0001970300000000 ] - [ -0.0003960500000000, 0.0002303600000000, -0.0003019300000000 ] - [ -0.0003216100000000, 0.0004025100000000, 0.0009716000000000 ] - [ -0.0003563800000000, 0.0003724800000000, -0.0001641800000000 ] - [ 0.0004205000000000, 0.0002969100000000, -0.0002015300000000 ] - [ 0.0000313600000000, 0.0003143500000000, 0.0009265300000000 ] - [ 0.0002488200000000, 0.0002641200000000, -0.0003085800000000 ] - [ -0.0007961800000000, 0.0005364000000000, 0.0002020900000000 ] - [ 0.0001910400000000, 0.0001880200000000, -0.0000994200000000 ] - [ -0.0000766100000000, 0.0002456600000000, 0.0000427000000000 ] - [ -0.0000979200000000, 0.0002960200000000, 0.0002118400000000 ] - [ 0.0000485100000000, 0.0008374400000000, -0.0000847400000000 ] - [ 0.0007192700000000, -0.0000214300000000, 0.0001884100000000 ] - [ -0.0005668400000000, 0.0005408000000000, -0.0004684800000000 ] - [ -0.0001345100000000, 0.0004647400000000, 0.0008340700000000 ] - [ -0.0003178900000000, 0.0003278000000000, -0.0003161100000000 ] - [ 0.0002326500000000, 0.0002129400000000, -0.0002555900000000 ] - [ 0.0002792600000000, 0.0004498400000000, 0.0008671500000000 ] - [ 0.0005960100000000, 0.0005329900000000, -0.0004437000000000 ] - [ -0.0007394800000000, -0.0000835500000000, 0.0001852000000000 ] - [ 0.0000116800000000, 0.0006191000000000, -0.0000964600000000 ] - [ 0.0001304900000000, 0.0002307500000000, 0.0001957000000000 ] - [ -0.0001123900000000, -0.0003648500000000, 0.0002183900000000 ] - [ -0.0000507700000000, -0.0006688200000000, -0.0000984700000000 ] - [ 0.0007197400000000, 0.0002186400000000, 0.0001614800000000 ] - [ -0.0005171000000000, -0.0007806600000000, -0.0004077300000000 ] - [ -0.0002237500000000, -0.0006678200000000, 0.0008379600000000 ] - [ -0.0002912000000000, -0.0000252700000000, -0.0002984300000000 ] - [ 0.0002249200000000, -0.0004974500000000, -0.0003580700000000 ] - [ 0.0002339600000000, 0.0001092800000000, 0.0009368300000000 ] - [ 0.0001114700000000, -0.0001602800000000, -0.0003277800000000 ] - [ -0.0005531700000000, -0.0001593200000000, 0.0001602700000000 ] - [ -0.0002537500000000, -0.0008897900000000, -0.0000311800000000 ] - [ -0.0001900200000000, -0.0000799600000000, 0.0001349900000000 ] - [ 0.0004286300000000, -0.0001651200000000, 0.0002142400000000 ] - [ -0.0000026700000000, -0.0006360400000000, 0.0002066900000000 ] - [ 0.0002824800000000, -0.0006047000000000, 0.0000331000000000 ] - [ 0.0012846700000000, 0.0005487300000000, 0.0003012800000000 ] - [ 0.0000424900000000, 0.0004938400000000, 0.0007793300000000 ] - [ -0.0013631900000000, -0.0009355200000000, -0.0005240000000000 ] - [ 0.0000248100000000, 0.0005436400000000, -0.0006392300000000 ] - [ 0.0011866000000000, -0.0024962600000000, 0.0019369100000000 ] - [ -0.0018857300000000, 0.0005262100000000, 0.0008689300000000 ] - [ 0.0003945200000000, 0.0001131900000000, 0.0001672200000000 ] - [ -0.0021382400000000, 0.0029913400000000, -0.0005639800000000 ] - [ -0.0010731100000000, -0.0000892500000000, -0.0019518400000000 ] - [ -0.0000598500000000, 0.0001683300000000, 0.0000924300000000 ] - [ -0.0002016700000000, 0.0000011300000000, -0.0000962600000000 ] - [ 0.0008650000000000, 0.0004099700000000, 0.0002039500000000 ] - [ -0.0004916900000000, 0.0000858700000000, -0.0003636500000000 ] - [ -0.0003112300000000, 0.0002493700000000, 0.0009491800000000 ] - [ -0.0004365800000000, 0.0001266700000000, -0.0002207200000000 ] - [ 0.0004318900000000, 0.0002308900000000, -0.0001949800000000 ] - [ 0.0004809300000000, 0.0000857000000000, 0.0009629200000000 ] - [ 0.0006210500000000, -0.0000023000000000, -0.0003795200000000 ] - [ -0.0008586000000000, 0.0005016800000000, 0.0001976000000000 ] - [ 0.0002878200000000, 0.0001170100000000, -0.0000915600000000 ] - [ 0.0001621000000000, 0.0001711700000000, 0.0000971000000000 ] - [ -0.0002460500000000, 0.0003000900000000, 0.0002373100000000 ] - [ -0.0000167700000000, 0.0008318500000000, -0.0000874400000000 ] - [ 0.0008621400000000, -0.0000194600000000, 0.0001895400000000 ] - [ -0.0008119100000000, 0.0006670100000000, -0.0004838400000000 ] - [ -0.0005396500000000, 0.0004281500000000, 0.0009532000000000 ] - [ -0.0002979400000000, 0.0003794900000000, -0.0002987600000000 ] - [ 0.0005194500000000, 0.0004267500000000, -0.0003309000000000 ] - [ 0.0002955700000000, 0.0005876500000000, 0.0008440200000000 ] - [ 0.0007969800000000, 0.0007235000000000, -0.0005449700000000 ] - [ -0.0008388300000000, 0.0000628600000000, 0.0001845400000000 ] - [ -0.0000610900000000, 0.0012284400000000, -0.0000613100000000 ] - [ 0.0002165800000000, 0.0003942600000000, 0.0002874900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017788100000000, -0.0028142200000000, 0.0000974000000000 ] - [ 0.0001469900000000, -0.0001173800000000, -0.0004230400000000 ] - [ -0.0002202900000000, 0.0002937400000000, -0.0003766700000000 ] - [ 0.0019266500000000, 0.0008415400000000, -0.0004514600000000 ] - [ 0.0016005000000000, 0.0006865200000000, -0.0003590600000000 ] - [ -0.0001430800000000, 0.0002409200000000, -0.0005031400000000 ] - [ 0.0002109300000000, -0.0001433200000000, -0.0004965900000000 ] - [ 0.0010220100000000, -0.0082917200000000, 0.0013049500000000 ] - [ 0.0173585500000000, 0.0024941200000000, -0.0042304300000000 ] - [ 0.0002193400000000, 0.0006347700000000, -0.0003794700000000 ] - [ -0.0000923800000000, 0.0002148700000000, 0.0004886300000000 ] - [ -0.0002820500000000, 0.0000101400000000, -0.0001286900000000 ] - [ -0.3059692700000000, 0.0007712900000000, -0.0339398500000000 ] - [ -0.0021040300000000, 0.0007040100000000, -0.0007452900000000 ] - [ -0.0006368900000000, -0.0003012900000000, 0.0004685100000000 ] - [ -0.0002573400000000, 0.0000880800000000, -0.0000195200000000 ] - [ -0.0006461700000000, 0.0007172200000000, 0.0005392600000000 ] - [ -0.0020147700000000, -0.0017554700000000, -0.0011016200000000 ] - [ -0.0025111600000000, 0.0061726600000000, -0.0040373500000000 ] - [ -0.0004101100000000, -0.0001624800000000, -0.0000008900000000 ] - [ 0.0029622200000000, -0.0021536600000000, -0.0051181500000000 ] - [ 0.0001833700000000, -0.0003755000000000, -0.0002292200000000 ] - [ -0.0002388400000000, -0.0004625700000000, 0.0006413600000000 ] - [ -0.0000371700000000, 0.0001975800000000, -0.0005185600000000 ] - [ 0.0020907200000000, -0.0002797100000000, 0.0002495700000000 ] - [ 0.0004482800000000, -0.0003478400000000, 0.0002385300000000 ] - [ -0.0002888900000000, 0.0001921200000000, 0.0002553000000000 ] - [ 0.0001933900000000, -0.0000506500000000, -0.0000258500000000 ] - [ 0.0002060300000000, -0.0002205800000000, -0.0002143900000000 ] - [ 0.0006947300000000, 0.0000579600000000, 0.0003507800000000 ] - [ 0.0000953800000000, -0.0006275500000000, -0.0003354400000000 ] - [ -0.0002927900000000, 0.0000772500000000, 0.0000630400000000 ] - [ 0.0003145800000000, -0.0001483200000000, 0.0000830100000000 ] - [ 0.0000869000000000, 0.0002116000000000, -0.0001224500000000 ] - [ -0.0000100300000000, 0.0000538000000000, 0.0003335900000000 ] - [ -0.0000758000000000, -0.0003009900000000, -0.0006473400000000 ] - [ -0.0003259600000000, -0.0000417400000000, -0.0000532700000000 ] - [ 0.0002446900000000, -0.0001879500000000, 0.0002466700000000 ] - [ -0.0004107700000000, -0.0003079300000000, 0.0003210000000000 ] - [ -0.0002569200000000, -0.0000612700000000, 0.0000153700000000 ] - [ -0.0000033500000000, -0.0002323500000000, -0.0005861800000000 ] - [ -0.0000513900000000, 0.0001282600000000, 0.0003302800000000 ] - [ -0.0002110000000000, 0.0003280400000000, -0.0001977300000000 ] - [ -0.0005625900000000, 0.0000542300000000, -0.0001909700000000 ] - [ 0.0003099300000000, 0.0001591900000000, 0.0000917400000000 ] - [ -0.0004463100000000, 0.0003399700000000, 0.0003692100000000 ] - [ 0.0000521800000000, 0.0000164000000000, 0.0002143700000000 ] - [ 0.0001650000000000, 0.0014889800000000, -0.0013498700000000 ] - [ -0.0002374700000000, 0.0000562400000000, -0.0000410000000000 ] - [ 0.0003423300000000, 0.0003263600000000, 0.0003028000000000 ] - [ -0.0003698500000000, 0.0009613300000000, 0.0003671100000000 ] - [ 0.0003074500000000, 0.0002948200000000, 0.0000045500000000 ] - [ 0.0000393400000000, 0.0003114400000000, -0.0006409100000000 ] - [ 0.0000023900000000, -0.0001262300000000, 0.0003578100000000 ] - [ -0.0001503000000000, -0.0002686900000000, -0.0001529400000000 ] - [ -0.0001781500000000, 0.0002831400000000, 0.0002748000000000 ] - [ 0.0008367200000000, 0.0000430300000000, -0.0003711800000000 ] - [ 0.0003040000000000, 0.0001635300000000, -0.0001296800000000 ] - [ 0.0000915200000000, 0.0000550700000000, 0.0002542300000000 ] - [ 0.0000969500000000, -0.0003620400000000, -0.0007396200000000 ] - [ 0.0011325600000000, 0.0000559000000000, 0.0001324200000000 ] - [ 0.0007228400000000, -0.0005032500000000, 0.0004352100000000 ] - [ -0.0000599700000000, -0.0001530000000000, 0.0002074900000000 ] - [ 0.0006171800000000, -0.0001094200000000, -0.0000807500000000 ] - [ 0.0002781500000000, -0.0003714400000000, -0.0007470700000000 ] - [ 0.0004063400000000, 0.0003020700000000, 0.0006276100000000 ] - [ 0.0001905500000000, 0.0000865300000000, -0.0000385000000000 ] - [ -0.0002469700000000, -0.0001148700000000, 0.0001285200000000 ] - [ 0.0008400900000000, -0.0001726700000000, -0.0004827700000000 ] - [ 0.0001991000000000, -0.0002559200000000, -0.0001555800000000 ] - [ 0.0003140200000000, 0.0001864800000000, -0.0000472500000000 ] - [ -0.0000041100000000, 0.0003136100000000, -0.0006394300000000 ] - [ 0.0020876900000000, 0.0000823800000000, -0.0000008300000000 ] - [ 0.0009617900000000, 0.0013569000000000, 0.0006656800000000 ] - [ -0.0003095600000000, 0.0003116600000000, 0.0002909900000000 ] - [ 0.0003449400000000, 0.0001396000000000, -0.0000758500000000 ] - [ 0.0003025900000000, 0.0013238800000000, -0.0012536200000000 ] - [ 0.0007065500000000, -0.0010665000000000, 0.0007377100000000 ] - [ 0.0003111700000000, 0.0011370300000000, 0.0003932300000000 ] - [ -0.0003444300000000, 0.0002540600000000, 0.0001115200000000 ] - [ 0.0003600900000000, -0.0001246600000000, 0.0000362400000000 ] - [ 0.0002752800000000, 0.0004191900000000, -0.0002611700000000 ] - [ 0.0002388400000000, 0.0001605700000000, 0.0002928500000000 ] - [ 0.0000227800000000, -0.0001846800000000, -0.0004976000000000 ] - [ -0.0001540300000000, -0.0000270100000000, -0.0000365300000000 ] - [ 0.0003423400000000, -0.0002605700000000, 0.0002854300000000 ] - [ -0.0002042000000000, -0.0001612600000000, 0.0002239000000000 ] - [ 0.0006174800000000, -0.0000383900000000, -0.0000908200000000 ] - [ 0.0000443400000000, -0.0002349500000000, -0.0005409000000000 ] - [ 0.0000306000000000, 0.0001244800000000, 0.0003787900000000 ] - [ -0.0001737100000000, 0.0003394900000000, -0.0002070700000000 ] - [ -0.0001795400000000, -0.0002689500000000, 0.0002354000000000 ] - [ 0.0003544200000000, 0.0001434800000000, 0.0000491200000000 ] - [ 0.0004881000000000, -0.0006546500000000, -0.0004030000000000 ] - [ 0.0000216200000000, -0.0001876700000000, 0.0003950000000000 ] - [ 0.0000902100000000, -0.0001373000000000, -0.0002336200000000 ] - [ -0.0002375700000000, 0.0000336500000000, -0.0000487800000000 ] - [ 0.0002746000000000, 0.0001905800000000, 0.0002539400000000 ] - [ 0.0000936500000000, -0.0006012000000000, 0.0000104000000000 ] - [ 0.0004601900000000, -0.0000750600000000, -0.0000700300000000 ] - [ 0.0000114100000000, 0.0002092400000000, -0.0005257000000000 ] - [ -0.0000339700000000, -0.0000795800000000, 0.0003163300000000 ] - [ -0.0002247200000000, -0.0003490400000000, -0.0002243000000000 ] - [ -0.0005482900000000, -0.0000267000000000, -0.0001979400000000 ] - [ -0.0016403200000000, 0.0033100000000000, 0.0121012300000000 ] - [ -0.0003894500000000, -0.0012206900000000, -0.0002165400000000 ] - [ -0.0016171700000000, -0.0054481000000000, 0.0255411000000000 ] - [ 0.0009950400000000, -0.0003101700000000, -0.0000145100000000 ] - [ -0.0005992800000000, -0.0006240100000000, -0.0001249500000000 ] - [ -0.0009041000000000, 0.0008174700000000, -0.0000482000000000 ] - [ -0.0005550000000000, 0.0007207400000000, -0.0001304800000000 ] - [ 0.0011083200000000, 0.0015886700000000, -0.0001985700000000 ] - [ 0.0033971800000000, -0.0007859700000000, -0.0002730300000000 ] - [ 0.0010681300000000, -0.0002087000000000, -0.0000756200000000 ] - [ 0.0036208900000000, -0.0001940200000000, -0.0000258700000000 ] - [ -0.0001485600000000, 0.0021113300000000, -0.0003401000000000 ] - [ -0.0002392300000000, -0.0005411800000000, -0.0001337800000000 ] - [ 0.0016154400000000, -0.0013141000000000, -0.0001086200000000 ] - [ -0.0002918100000000, 0.0007017500000000, -0.0001477600000000 ] - [ 0.0000350000000000, -0.0006563500000000, -0.0000009600000000 ] - [ 0.0001656200000000, -0.0004229100000000, 0.0001979800000000 ] - [ 0.0002005900000000, -0.0008058800000000, -0.0000823000000000 ] - [ 0.3013730700000000, 0.0012950900000000, 0.0321079600000000 ] - [ -0.0000190500000000, -0.0005204800000000, -0.0005654900000000 ] - [ 0.0010242100000000, -0.0015829000000000, 0.0007666900000000 ] - [ -0.0002111600000000, -0.0001339600000000, -0.0003249800000000 ] - [ 0.0031333200000000, -0.0000346300000000, 0.0003687800000000 ] - [ 0.0042262000000000, -0.0013250900000000, 0.0012136200000000 ] - [ 0.0084001600000000, -0.0019056600000000, -0.0037634400000000 ] - [ -0.0002309000000000, 0.0004353400000000, 0.0001683000000000 ] - [ 0.0028350900000000, 0.0046566600000000, -0.0017131400000000 ] - [ -0.0184773800000000, 0.0002378300000000, -0.0198807000000000 ] - [ 0.0000193800000000, 0.0002139700000000, 0.0002791000000000 ] - [ 0.0003384700000000, 0.0011869700000000, -0.0001089700000000 ] - [ -0.0010870700000000, 0.0027687000000000, 0.0004567700000000 ] - [ -0.0004835800000000, 0.0004285100000000, -0.0004452100000000 ] - [ -0.0002811100000000, 0.0001862800000000, 0.0008943800000000 ] - [ -0.0002230500000000, 0.0008946000000000, -0.0004814000000000 ] - [ -0.0005333300000000, -0.0009173200000000, -0.0001659600000000 ] - [ -0.0001995900000000, 0.0011683200000000, 0.0007729300000000 ] - [ -0.0014475800000000, 0.0009095800000000, -0.0003041800000000 ] - [ -0.0008469500000000, -0.0001069500000000, 0.0001614500000000 ] - [ -0.0016083700000000, 0.0003722700000000, -0.0002119700000000 ] - [ -0.0015414400000000, 0.0002696400000000, 0.0001376400000000 ] - [ 0.0002871100000000, 0.0002589500000000, 0.0000621400000000 ] - [ 0.0001389100000000, 0.0006538900000000, -0.0004210500000000 ] - [ 0.0008938500000000, 0.0002473600000000, 0.0001972600000000 ] - [ 0.0001433100000000, 0.0000012500000000, -0.0001710600000000 ] - [ -0.0001302600000000, -0.0000457500000000, 0.0009117800000000 ] - [ 0.0016122000000000, 0.0004017700000000, 0.0008449500000000 ] - [ 0.0005173000000000, -0.0000377400000000, -0.0002928400000000 ] - [ 0.0004282100000000, -0.0000235400000000, 0.0009332200000000 ] - [ 0.0006993500000000, -0.0002749000000000, -0.0004277000000000 ] - [ -0.0002961000000000, 0.0000630600000000, 0.0001350900000000 ] - [ 0.0001633300000000, -0.0004199900000000, -0.0000731700000000 ] - [ 0.0001820200000000, -0.0000579500000000, 0.0001599700000000 ] - [ 0.0003675400000000, -0.0005948500000000, -0.0000928500000000 ] - [ -0.0001107700000000, -0.0003616400000000, -0.0001462800000000 ] - [ 0.0008335100000000, -0.0003259800000000, 0.0001912300000000 ] - [ -0.0000491200000000, -0.0009405000000000, 0.0000251200000000 ] - [ -0.0008581100000000, -0.0021057200000000, 0.0002024200000000 ] - [ -0.0003935800000000, -0.0001446100000000, -0.0001800600000000 ] - [ 0.0003443000000000, 0.0000915200000000, -0.0002531600000000 ] - [ 0.0002667000000000, -0.0000696500000000, 0.0009161900000000 ] - [ 0.0004957900000000, 0.0001246000000000, -0.0003889200000000 ] - [ -0.0011085600000000, -0.0007450000000000, 0.0001687600000000 ] - [ 0.0000793800000000, 0.0003238000000000, -0.0001001000000000 ] - [ 0.0000547100000000, -0.0000088500000000, 0.0001360600000000 ] - [ -0.0003823800000000, 0.0001836300000000, 0.0001425000000000 ] - [ -0.0003546700000000, -0.0000548500000000, -0.0000872100000000 ] - [ -0.0006017700000000, 0.0000237000000000, 0.0000553300000000 ] - [ -0.0010157400000000, -0.0000814400000000, -0.0004038500000000 ] - [ -0.0009842900000000, 0.0004298800000000, 0.0009809900000000 ] - [ -0.0004959300000000, -0.0000062800000000, -0.0002112500000000 ] - [ -0.0003938800000000, -0.0001577300000000, -0.0003442700000000 ] - [ -0.0004440800000000, 0.0000087800000000, 0.0009580300000000 ] - [ -0.0015631700000000, 0.0000216800000000, 0.0000542500000000 ] - [ -0.0012336700000000, 0.0001890000000000, 0.0002092300000000 ] - [ -0.0009403700000000, -0.0005051100000000, -0.0002004100000000 ] - [ -0.0013163200000000, 0.0001597700000000, 0.0001259400000000 ] - [ -0.0002489700000000, -0.0001130600000000, 0.0000677000000000 ] - [ -0.0005782400000000, -0.0002047300000000, 0.0000169000000000 ] - [ -0.0011603100000000, -0.0001954800000000, 0.0000404000000000 ] - [ -0.0007077800000000, 0.0000552700000000, -0.0004129700000000 ] - [ -0.0003377600000000, -0.0000419900000000, 0.0009257800000000 ] - [ -0.0011413300000000, -0.0009627200000000, -0.0003100900000000 ] - [ -0.0009134000000000, 0.0018502700000000, -0.0002750100000000 ] - [ -0.0001869700000000, -0.0017085100000000, 0.0009855700000000 ] - [ -0.0015402700000000, -0.0017872400000000, -0.0006135800000000 ] - [ -0.0008165100000000, -0.0004959300000000, 0.0002433700000000 ] - [ -0.0002890900000000, 0.0021488400000000, -0.0027708400000000 ] - [ -0.0035704200000000, -0.0026994100000000, 0.0026893300000000 ] - [ -0.0004598200000000, -0.0002363100000000, 0.0001821800000000 ] - [ -0.0004059400000000, -0.0007830900000000, 0.0000117300000000 ] - [ 0.0007169700000000, 0.0002509300000000, 0.0001883800000000 ] - [ -0.0011513100000000, -0.0004075600000000, -0.0005857900000000 ] - [ -0.0004375400000000, -0.0001762500000000, 0.0008984100000000 ] - [ -0.0011168100000000, -0.0000102600000000, -0.0003935300000000 ] - [ 0.0002317000000000, -0.0000860100000000, -0.0002338600000000 ] - [ 0.0001821500000000, -0.0002068900000000, 0.0008835100000000 ] - [ 0.0004518300000000, -0.0002409900000000, -0.0004008300000000 ] - [ -0.0011916100000000, 0.0004052300000000, 0.0002186000000000 ] - [ 0.0000471100000000, -0.0003347700000000, -0.0001055100000000 ] - [ 0.0000422300000000, -0.0000586700000000, 0.0001475400000000 ] - [ -0.0005589300000000, 0.0003595200000000, 0.0002648600000000 ] - [ -0.0002246800000000, 0.0007059900000000, -0.0000658800000000 ] - [ 0.0007754800000000, -0.0002505200000000, 0.0001954900000000 ] - [ -0.0012475100000000, 0.0010886800000000, -0.0004528900000000 ] - [ -0.0010853200000000, 0.0005821700000000, 0.0007543100000000 ] - [ -0.0003942200000000, 0.0001762600000000, -0.0002902000000000 ] - [ 0.0003879600000000, -0.0000477200000000, -0.0002452100000000 ] - [ 0.0003130100000000, 0.0002355500000000, 0.0009004100000000 ] - [ 0.0006109200000000, 0.0002802100000000, -0.0004233500000000 ] - [ -0.0008835900000000, 0.0006104300000000, 0.0002501800000000 ] - [ 0.0001647600000000, 0.0002707300000000, -0.0000838400000000 ] - [ 0.0001492400000000, 0.0000520300000000, 0.0001465100000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017348000000000, 0.0027533400000000, -0.0009910900000000 ] - [ -0.0001434400000000, 0.0001145700000000, -0.0004861100000000 ] - [ 0.0002151200000000, -0.0002877700000000, -0.0005317900000000 ] - [ -0.0018810000000000, -0.0008210000000000, -0.0004577400000000 ] - [ -0.0015648900000000, -0.0006716000000000, -0.0005482800000000 ] - [ 0.0001391200000000, -0.0002354600000000, -0.0004079200000000 ] - [ -0.0002061000000000, 0.0001405200000000, -0.0004136600000000 ] - [ -0.0010157000000000, 0.0080973700000000, -0.0021890800000000 ] - [ -0.0170437500000000, -0.0027207300000000, 0.0041113900000000 ] - [ 0.0001599400000000, 0.0000146500000000, -0.0000144900000000 ] - [ 0.0001146400000000, 0.0000166300000000, 0.0002085000000000 ] - [ 0.0002320000000000, -0.0004989900000000, -0.0010093500000000 ] - [ 0.3330716900000000, -0.0009618900000000, 0.0395079700000000 ] - [ 0.0026587000000000, -0.0011666200000000, 0.0012649800000000 ] - [ 0.0000310800000000, -0.0001823500000000, 0.0000791500000000 ] - [ 0.0007235000000000, -0.0001645900000000, -0.0000693800000000 ] - [ 0.0006701300000000, -0.0011916000000000, -0.0016467200000000 ] - [ 0.0019379700000000, 0.0019534700000000, 0.0017538900000000 ] - [ 0.0020369900000000, -0.0054147600000000, 0.0035538500000000 ] - [ -0.0002614800000000, -0.0001254800000000, 0.0001292800000000 ] - [ -0.0022337000000000, 0.0023816200000000, 0.0051108800000000 ] - [ 0.0001949500000000, -0.0002674700000000, -0.0001616900000000 ] - [ 0.0002582800000000, 0.0002262000000000, 0.0000578800000000 ] - [ -0.0000073700000000, 0.0002964700000000, -0.0006291900000000 ] - [ -0.0025150800000000, 0.0003518100000000, -0.0003322800000000 ] - [ 0.0001560400000000, 0.0008164600000000, 0.0003051400000000 ] - [ -0.0003126900000000, 0.0002905700000000, 0.0002895600000000 ] - [ 0.0002825900000000, 0.0001283100000000, -0.0000631600000000 ] - [ -0.0001579200000000, 0.0007037000000000, -0.0009250800000000 ] - [ -0.0007044600000000, -0.0002815400000000, 0.0003403800000000 ] - [ -0.0004680700000000, -0.0000223000000000, -0.0000586500000000 ] - [ -0.0003758500000000, 0.0002090900000000, 0.0000670400000000 ] - [ 0.0003544700000000, -0.0001394500000000, 0.0000473700000000 ] - [ 0.0002897300000000, 0.0004283000000000, -0.0002666700000000 ] - [ 0.0000323100000000, 0.0001735700000000, 0.0003608300000000 ] - [ 0.0000304500000000, -0.0001945300000000, -0.0005020500000000 ] - [ -0.0001540000000000, -0.0000379400000000, -0.0000364400000000 ] - [ 0.0003555400000000, -0.0002939600000000, 0.0002976900000000 ] - [ -0.0001934000000000, -0.0001767400000000, 0.0002249000000000 ] - [ 0.0007237600000000, -0.0000186000000000, -0.0001037800000000 ] - [ 0.0000468200000000, -0.0002621100000000, -0.0005627200000000 ] - [ 0.0000251200000000, 0.0001006900000000, 0.0003624100000000 ] - [ -0.0001681200000000, 0.0003139500000000, -0.0001924300000000 ] - [ -0.0001125300000000, -0.0003367800000000, 0.0003147700000000 ] - [ 0.0003592000000000, 0.0001289100000000, 0.0000387800000000 ] - [ 0.0008089500000000, -0.0009661100000000, -0.0007457400000000 ] - [ -0.0000260000000000, -0.0002420500000000, 0.0004756800000000 ] - [ -0.0002048700000000, -0.0009639800000000, 0.0001825000000000 ] - [ -0.0002397600000000, 0.0000237400000000, -0.0000483500000000 ] - [ 0.0002597500000000, 0.0001577000000000, 0.0002422300000000 ] - [ -0.0002339800000000, -0.0004620400000000, 0.0001794100000000 ] - [ 0.0001718700000000, -0.0002090900000000, -0.0000930600000000 ] - [ 0.0000052500000000, 0.0001845800000000, -0.0005088700000000 ] - [ -0.0000267500000000, -0.0001031000000000, 0.0003364100000000 ] - [ -0.0002273400000000, -0.0003720400000000, -0.0002364200000000 ] - [ -0.0004884100000000, 0.0000074700000000, -0.0001408500000000 ] - [ -0.0001548400000000, -0.0003256600000000, 0.0004898000000000 ] - [ 0.0000774400000000, 0.0004749200000000, -0.0002593400000000 ] - [ -0.0000650100000000, 0.0001728600000000, 0.0004378900000000 ] - [ -0.0001383500000000, -0.0001350100000000, -0.0004120800000000 ] - [ -0.0015791700000000, -0.0001330700000000, -0.0002181000000000 ] - [ -0.0001120900000000, 0.0000159300000000, 0.0001126500000000 ] - [ -0.0005357900000000, -0.0003273400000000, 0.0003353500000000 ] - [ -0.0001308100000000, 0.0000280600000000, -0.0000096900000000 ] - [ -0.0002282800000000, -0.0001246800000000, -0.0004034600000000 ] - [ -0.0004222800000000, -0.0000692200000000, 0.0000716700000000 ] - [ -0.0005613900000000, 0.0005515600000000, -0.0003495800000000 ] - [ -0.0004207200000000, -0.0001724000000000, 0.0000030500000000 ] - [ -0.0001588200000000, 0.0004533100000000, 0.0006001500000000 ] - [ 0.0001791900000000, -0.0003840600000000, -0.0002332600000000 ] - [ -0.0002816100000000, -0.0004083100000000, 0.0007311800000000 ] - [ -0.0000398500000000, 0.0001832600000000, -0.0005114200000000 ] - [ -0.0025182900000000, 0.0000011300000000, -0.0000919600000000 ] - [ -0.0003455400000000, -0.0008490500000000, -0.0001110200000000 ] - [ -0.0002929600000000, 0.0001740900000000, 0.0002549000000000 ] - [ 0.0001342900000000, -0.0000577600000000, -0.0000142200000000 ] - [ -0.0002528100000000, -0.0008046600000000, 0.0000894900000000 ] - [ -0.0007182600000000, 0.0008170300000000, -0.0000359700000000 ] - [ -0.0006809200000000, -0.0017499400000000, -0.0007734100000000 ] - [ -0.0003254500000000, 0.0000363900000000, 0.0000197400000000 ] - [ 0.0003100700000000, -0.0001628400000000, 0.0000934700000000 ] - [ 0.0001056300000000, 0.0002255500000000, -0.0001309600000000 ] - [ -0.0002076400000000, 0.0000689600000000, 0.0003979300000000 ] - [ -0.0000658300000000, -0.0003083200000000, -0.0006489400000000 ] - [ -0.0003206400000000, -0.0000523000000000, -0.0000524600000000 ] - [ 0.0002607900000000, -0.0002240200000000, 0.0002603800000000 ] - [ -0.0003950000000000, -0.0003195700000000, 0.0003196700000000 ] - [ -0.0001303800000000, -0.0000410000000000, -0.0000000200000000 ] - [ 0.0000004800000000, -0.0002601700000000, -0.0006079600000000 ] - [ -0.0000550200000000, 0.0001045400000000, 0.0003149400000000 ] - [ -0.0002039700000000, 0.0003021800000000, -0.0001826300000000 ] - [ -0.0004867000000000, -0.0000211900000000, -0.0001020700000000 ] - [ 0.0003155700000000, 0.0001444400000000, 0.0000806100000000 ] - [ -0.0001017200000000, 0.0000042500000000, 0.0000071100000000 ] - [ 0.0000038300000000, -0.0000426800000000, 0.0002992000000000 ] - [ -0.0001316300000000, 0.0006224800000000, -0.0009057900000000 ] - [ -0.0002402900000000, 0.0000458700000000, -0.0000408400000000 ] - [ 0.0003260700000000, 0.0002908500000000, 0.0002902100000000 ] - [ -0.0006842600000000, 0.0010630900000000, 0.0005288000000000 ] - [ 0.0000227900000000, 0.0001520900000000, -0.0000202000000000 ] - [ 0.0000323900000000, 0.0002845500000000, -0.0006215700000000 ] - [ 0.0000085100000000, -0.0001487500000000, 0.0003771100000000 ] - [ -0.0001548100000000, -0.0002936100000000, -0.0001667300000000 ] - [ -0.0001262900000000, 0.0003107200000000, 0.0003219400000000 ] - [ 0.0007766800000000, -0.0044975200000000, -0.0120882600000000 ] - [ 0.0012164100000000, -0.0000798500000000, -0.0000519800000000 ] - [ 0.0007163500000000, 0.0065649000000000, -0.0251411700000000 ] - [ -0.0001361600000000, 0.0015747800000000, -0.0002501300000000 ] - [ -0.0002511300000000, -0.0006635900000000, -0.0001416900000000 ] - [ 0.0017129700000000, -0.0020802300000000, -0.0002180700000000 ] - [ -0.0002931600000000, 0.0005681600000000, -0.0001360700000000 ] - [ -0.0002472400000000, -0.0002782500000000, -0.0000698900000000 ] - [ -0.0041515700000000, -0.0005061900000000, 0.0000025700000000 ] - [ -0.0002070000000000, -0.0010705900000000, -0.0001901300000000 ] - [ -0.0043661300000000, 0.0014635800000000, -0.0002378400000000 ] - [ 0.0009812200000000, -0.0007912900000000, 0.0000680200000000 ] - [ -0.0006008400000000, -0.0007437100000000, -0.0001335500000000 ] - [ -0.0007415200000000, 0.0000123700000000, -0.0001580600000000 ] - [ -0.0005519500000000, 0.0005868400000000, -0.0001190800000000 ] - [ 0.0008016400000000, 0.0019136500000000, -0.0002631400000000 ] - [ -0.0003737600000000, 0.0003365700000000, 0.0000975000000000 ] - [ -0.0004203200000000, 0.0001253000000000, -0.0000990900000000 ] - [ -0.3262235700000000, -0.0005143900000000, -0.0370644000000000 ] - [ -0.0011044300000000, 0.0000500000000000, -0.0002586400000000 ] - [ -0.0015960600000000, 0.0013617800000000, 0.0010467800000000 ] - [ -0.0005202000000000, 0.0000481500000000, -0.0001916500000000 ] - [ -0.0023456700000000, -0.0000497000000000, -0.0008651600000000 ] - [ -0.0035341600000000, 0.0011132600000000, 0.0006153400000000 ] - [ -0.0071014400000000, 0.0014040700000000, 0.0028560000000000 ] - [ -0.0013652300000000, 0.0001039400000000, 0.0002143800000000 ] - [ -0.0025402900000000, -0.0052117400000000, 0.0014962900000000 ] - [ 0.0178532900000000, -0.0003546900000000, 0.0194885400000000 ] - [ -0.0002303900000000, -0.0001319800000000, 0.0000188500000000 ] - [ -0.0005576100000000, -0.0005052100000000, -0.0000712000000000 ] - [ 0.0026568100000000, -0.0032307400000000, -0.0000644100000000 ] - [ -0.0006408200000000, 0.0000349800000000, -0.0003733900000000 ] - [ -0.0003201300000000, 0.0000047500000000, 0.0009237400000000 ] - [ -0.0005077500000000, -0.0007930500000000, -0.0000386800000000 ] - [ 0.0012468500000000, 0.0009756200000000, -0.0003438600000000 ] - [ 0.0007888600000000, -0.0009536400000000, 0.0010421300000000 ] - [ 0.0025298900000000, -0.0004342700000000, -0.0005113400000000 ] - [ -0.0007630600000000, -0.0004259100000000, 0.0002214600000000 ] - [ 0.0017973900000000, 0.0002922100000000, 0.0000294400000000 ] - [ 0.0017177300000000, -0.0001860800000000, 0.0001585400000000 ] - [ -0.0004918900000000, -0.0003294700000000, 0.0002300900000000 ] - [ -0.0003624800000000, -0.0012958700000000, 0.0002317100000000 ] - [ 0.0007181400000000, 0.0002881700000000, 0.0001870500000000 ] - [ -0.0012588400000000, -0.0004557600000000, -0.0006437100000000 ] - [ -0.0004674900000000, -0.0001426400000000, 0.0009063900000000 ] - [ -0.0023046500000000, -0.0004820700000000, -0.0013389900000000 ] - [ 0.0002210500000000, -0.0000454600000000, -0.0002230000000000 ] - [ 0.0001746700000000, -0.0001645900000000, 0.0008855600000000 ] - [ 0.0004333200000000, -0.0001864800000000, -0.0003923100000000 ] - [ -0.0013019900000000, 0.0004683700000000, 0.0002486500000000 ] - [ 0.0000659500000000, -0.0002475300000000, -0.0001064600000000 ] - [ 0.0000333800000000, -0.0000204500000000, 0.0001355100000000 ] - [ -0.0005692800000000, 0.0006589800000000, 0.0003811400000000 ] - [ -0.0001160700000000, 0.0010145300000000, -0.0000343100000000 ] - [ 0.0007767000000000, -0.0002116800000000, 0.0001924000000000 ] - [ -0.0010676200000000, 0.0013736500000000, -0.0008330000000000 ] - [ 0.0002437900000000, 0.0022438400000000, 0.0015991900000000 ] - [ -0.0003416900000000, 0.0002249500000000, -0.0003313100000000 ] - [ 0.0003907300000000, -0.0000067500000000, -0.0002617000000000 ] - [ 0.0003337200000000, 0.0002549400000000, 0.0009023500000000 ] - [ 0.0006344800000000, 0.0003347300000000, -0.0004313900000000 ] - [ -0.0005087100000000, 0.0001998500000000, 0.0002154000000000 ] - [ 0.0001466900000000, 0.0003461400000000, -0.0000812600000000 ] - [ 0.0001582600000000, 0.0000858000000000, 0.0001583900000000 ] - [ 0.0001622100000000, -0.0002563900000000, 0.0001530600000000 ] - [ 0.0001216700000000, -0.0006070300000000, -0.0000937200000000 ] - [ 0.0021791200000000, 0.0005049400000000, 0.0003261400000000 ] - [ -0.0001284700000000, -0.0003777500000000, -0.0004173000000000 ] - [ 0.0003669400000000, -0.0006066900000000, 0.0008389500000000 ] - [ -0.0002417500000000, -0.0000753200000000, -0.0003045400000000 ] - [ 0.0011106800000000, 0.0000721800000000, -0.0001720900000000 ] - [ 0.0010284000000000, -0.0001976800000000, 0.0008617500000000 ] - [ 0.0026440600000000, -0.0004778200000000, -0.0008641400000000 ] - [ -0.0003857800000000, 0.0003451400000000, 0.0001744300000000 ] - [ 0.0011436700000000, -0.0001653200000000, 0.0000176200000000 ] - [ 0.0014964400000000, -0.0002335700000000, 0.0001690100000000 ] - [ 0.0000323000000000, 0.0001871300000000, 0.0002252900000000 ] - [ 0.0003396700000000, 0.0008574400000000, -0.0001946600000000 ] - [ 0.0027285600000000, -0.0003400700000000, 0.0003421600000000 ] - [ -0.0004234000000000, 0.0003999700000000, -0.0004057500000000 ] - [ -0.0002631100000000, 0.0002268000000000, 0.0008932600000000 ] - [ 0.0003893000000000, 0.0010227900000000, -0.0002047900000000 ] - [ 0.0016184100000000, -0.0017220000000000, -0.0002390200000000 ] - [ 0.0007784300000000, 0.0018584200000000, 0.0008361500000000 ] - [ 0.0026214100000000, 0.0021982300000000, -0.0002172200000000 ] - [ -0.0007926700000000, -0.0000455800000000, 0.0001418900000000 ] - [ 0.0005105200000000, -0.0014485100000000, 0.0025202400000000 ] - [ 0.0037377600000000, 0.0027222500000000, -0.0023480100000000 ] - [ 0.0002371000000000, 0.0001542900000000, 0.0001148100000000 ] - [ 0.0001696800000000, 0.0001103500000000, -0.0001900900000000 ] - [ 0.0008894000000000, 0.0002858900000000, 0.0001954700000000 ] - [ 0.0000078600000000, -0.0000565500000000, -0.0002377100000000 ] - [ -0.0001667100000000, -0.0000143800000000, 0.0009202800000000 ] - [ 0.0003650800000000, -0.0000725100000000, -0.0001229200000000 ] - [ 0.0004990500000000, 0.0000026500000000, -0.0002801700000000 ] - [ 0.0004150000000000, 0.0000165200000000, 0.0009343200000000 ] - [ 0.0006738200000000, -0.0002187100000000, -0.0004179200000000 ] - [ -0.0004269600000000, 0.0001333500000000, 0.0001658000000000 ] - [ 0.0001800200000000, -0.0003313100000000, -0.0000754300000000 ] - [ 0.0001698100000000, -0.0000197400000000, 0.0001473200000000 ] - [ 0.0003340100000000, -0.0002737900000000, 0.0000345000000000 ] - [ -0.0000058200000000, -0.0000298800000000, -0.0001144100000000 ] - [ 0.0008333300000000, -0.0002853800000000, 0.0001876500000000 ] - [ 0.0000982000000000, -0.0006060100000000, -0.0003689100000000 ] - [ 0.0004668000000000, -0.0003815200000000, 0.0010603600000000 ] - [ -0.0003417800000000, -0.0000895800000000, -0.0002264300000000 ] - [ 0.0003472000000000, 0.0001273200000000, -0.0002713900000000 ] - [ 0.0002880300000000, -0.0000430100000000, 0.0009178300000000 ] - [ 0.0005217000000000, 0.0001825700000000, -0.0003967400000000 ] - [ -0.0007279300000000, -0.0011269200000000, 0.0001344800000000 ] - [ 0.0000641200000000, 0.0003968900000000, -0.0000966100000000 ] - [ 0.0000661900000000, 0.0000268600000000, 0.0001486800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009249600000000, 0.0002636600000000, 0.0003742400000000 ] - [ -0.0000233900000000, 0.0001922200000000, -0.0004423600000000 ] - [ 0.0000215900000000, 0.0004007200000000, -0.0004234500000000 ] - [ 0.0002680800000000, -0.0001940300000000, -0.0005019300000000 ] - [ 0.0001802600000000, -0.0000394000000000, -0.0004478700000000 ] - [ 0.0000367500000000, 0.0003089500000000, -0.0004694900000000 ] - [ -0.0000330100000000, 0.0001246000000000, -0.0004726400000000 ] - [ -0.0047139800000000, 0.0001433900000000, -0.0013837400000000 ] - [ 0.0194868700000000, -0.0008538000000000, 0.0020558800000000 ] - [ 0.0003591700000000, 0.0004842600000000, -0.0001282100000000 ] - [ -0.0000218700000000, 0.0002036400000000, 0.0004309900000000 ] - [ -0.0000252700000000, -0.0001071800000000, -0.0005710400000000 ] - [ -0.0009912800000000, -0.0343858200000000, 0.0132219900000000 ] - [ 0.0006172900000000, 0.0003573400000000, 0.0019336600000000 ] - [ 0.0004960400000000, 0.0003186500000000, -0.0001802400000000 ] - [ 0.0002591100000000, 0.0000722800000000, -0.0000142900000000 ] - [ 0.0002273600000000, -0.0009382300000000, -0.0019668500000000 ] - [ -0.0016897800000000, 0.0014648400000000, -0.0012054100000000 ] - [ 0.0041004600000000, 0.0028918900000000, -0.0012209600000000 ] - [ -0.0003969900000000, -0.0000340000000000, -0.0000115800000000 ] - [ -0.0006762900000000, -0.0007161400000000, -0.0004003100000000 ] - [ 0.0001469400000000, -0.0002231600000000, -0.0001311100000000 ] - [ -0.0001260400000000, -0.0000331800000000, 0.0002766600000000 ] - [ -0.0000346300000000, 0.0003339000000000, -0.0006700800000000 ] - [ -0.0002817000000000, 0.0000256100000000, -0.0001616400000000 ] - [ 0.0001459600000000, 0.0000537200000000, 0.0001842200000000 ] - [ -0.0003482700000000, 0.0003391500000000, 0.0003101900000000 ] - [ 0.0001492200000000, 0.0000660600000000, -0.0000316800000000 ] - [ -0.0000156300000000, 0.0001283900000000, -0.0004490800000000 ] - [ 0.0000769500000000, -0.0002324400000000, 0.0004820300000000 ] - [ -0.0002310500000000, -0.0004198600000000, -0.0002455500000000 ] - [ -0.0003538300000000, 0.0001512500000000, 0.0000538100000000 ] - [ 0.0003475400000000, -0.0000980900000000, 0.0000332400000000 ] - [ 0.0001909500000000, 0.0004055800000000, -0.0002505200000000 ] - [ -0.0005175000000000, 0.0002407000000000, 0.0009068000000000 ] - [ -0.0000360000000000, -0.0001534500000000, -0.0004806800000000 ] - [ -0.0002403100000000, 0.0000008100000000, -0.0000458500000000 ] - [ 0.0002610800000000, -0.0001369800000000, 0.0002349900000000 ] - [ -0.0002834200000000, -0.0001380700000000, 0.0002432200000000 ] - [ 0.0001122800000000, 0.0000732100000000, -0.0000124000000000 ] - [ 0.0000163400000000, -0.0001567400000000, -0.0004782200000000 ] - [ 0.0000176800000000, 0.0001966200000000, 0.0004199200000000 ] - [ -0.0002214100000000, 0.0004101900000000, -0.0002547800000000 ] - [ -0.0003354400000000, -0.0000598400000000, -0.0000001900000000 ] - [ 0.0003162100000000, 0.0001943000000000, 0.0001023300000000 ] - [ 0.0004127600000000, -0.0003149500000000, -0.0003166500000000 ] - [ 0.0000879300000000, 0.0000044300000000, 0.0001951800000000 ] - [ 0.0001113500000000, 0.0001883800000000, -0.0004393500000000 ] - [ -0.0002319800000000, 0.0000714800000000, -0.0000441400000000 ] - [ 0.0003509300000000, 0.0003489800000000, 0.0003092000000000 ] - [ -0.0001039900000000, 0.0001691400000000, 0.0002383600000000 ] - [ 0.0004926100000000, 0.0000567400000000, -0.0000926700000000 ] - [ 0.0000366300000000, 0.0003272900000000, -0.0006443800000000 ] - [ -0.0000398500000000, -0.0000556300000000, 0.0002879500000000 ] - [ -0.0001601300000000, -0.0002501600000000, -0.0001485200000000 ] - [ -0.0002867600000000, 0.0001770800000000, 0.0001091200000000 ] - [ 0.0003427400000000, -0.0001896800000000, 0.0000866500000000 ] - [ 0.0001675200000000, 0.0002908900000000, -0.0001786000000000 ] - [ -0.0000053000000000, 0.0001527500000000, 0.0003817500000000 ] - [ -0.0000350700000000, -0.0002723500000000, -0.0006110800000000 ] - [ -0.0001440300000000, -0.0000554600000000, -0.0000323900000000 ] - [ 0.0003624300000000, -0.0003452300000000, 0.0003141500000000 ] - [ -0.0003061000000000, -0.0002631300000000, 0.0002791600000000 ] - [ 0.0002373100000000, -0.0000402000000000, -0.0000403900000000 ] - [ 0.0000439900000000, -0.0003271000000000, -0.0006560200000000 ] - [ -0.0000022500000000, 0.0000924600000000, 0.0003323100000000 ] - [ -0.0001434100000000, 0.0002336600000000, -0.0001447200000000 ] - [ -0.0003234600000000, -0.0001358600000000, 0.0000701400000000 ] - [ 0.0003945300000000, 0.0000844400000000, -0.0000277400000000 ] - [ 0.0001876400000000, -0.0002701000000000, -0.0001638000000000 ] - [ 0.0000413200000000, -0.0001099300000000, 0.0003352200000000 ] - [ -0.0000148400000000, 0.0003088400000000, -0.0006353800000000 ] - [ 0.0000796800000000, 0.0000266700000000, 0.0000435500000000 ] - [ 0.0003068500000000, 0.0001066900000000, 0.0001729600000000 ] - [ -0.0003081000000000, 0.0003105000000000, 0.0002915000000000 ] - [ 0.0003362600000000, 0.0000570100000000, -0.0000505000000000 ] - [ 0.0001232500000000, 0.0000602700000000, -0.0004290200000000 ] - [ -0.0000751900000000, -0.0003588500000000, 0.0003840000000000 ] - [ 0.0000420700000000, -0.0003026600000000, -0.0001735700000000 ] - [ -0.0002732700000000, 0.0002162600000000, 0.0001525800000000 ] - [ 0.0003509400000000, -0.0001054900000000, 0.0000349800000000 ] - [ 0.0002220900000000, 0.0003720400000000, -0.0002302900000000 ] - [ 0.0000690900000000, 0.0000703800000000, 0.0002956700000000 ] - [ -0.0000080300000000, -0.0001997500000000, -0.0005208000000000 ] - [ -0.0002252800000000, -0.0000166200000000, -0.0000442100000000 ] - [ 0.0002845200000000, -0.0001803700000000, 0.0002517000000000 ] - [ -0.0002695600000000, -0.0001851000000000, 0.0002489200000000 ] - [ 0.0003079900000000, -0.0000404400000000, -0.0000577200000000 ] - [ 0.0000234800000000, -0.0001906400000000, -0.0005157500000000 ] - [ 0.0000063000000000, 0.0001571200000000, 0.0003901100000000 ] - [ -0.0002002200000000, 0.0003793000000000, -0.0002303300000000 ] - [ -0.0003305800000000, -0.0001594000000000, 0.0000740900000000 ] - [ 0.0003242800000000, 0.0001779300000000, 0.0000904600000000 ] - [ 0.0002156700000000, -0.0004006100000000, -0.0002438200000000 ] - [ 0.0000001300000000, -0.0001017000000000, 0.0003428100000000 ] - [ -0.0000339200000000, 0.0001542800000000, -0.0004852200000000 ] - [ -0.0002551600000000, 0.0000715700000000, -0.0000450400000000 ] - [ 0.0003063700000000, 0.0003004000000000, 0.0002901600000000 ] - [ -0.0002907500000000, 0.0000717400000000, 0.0002994900000000 ] - [ 0.0001236900000000, 0.0000037400000000, -0.0000307000000000 ] - [ 0.0000152800000000, 0.0003164700000000, -0.0006584500000000 ] - [ -0.0000338700000000, -0.0000478300000000, 0.0002868000000000 ] - [ -0.0001765400000000, -0.0002449200000000, -0.0001468200000000 ] - [ -0.0004341000000000, 0.0001733800000000, -0.0000089100000000 ] - [ 0.0012147400000000, -0.0015612200000000, -0.0005916400000000 ] - [ 0.0002156800000000, -0.0000600000000000, -0.0001016000000000 ] - [ -0.0016288200000000, -0.0030794800000000, 0.0006286000000000 ] - [ 0.0002690600000000, 0.0007031600000000, -0.0001356300000000 ] - [ -0.0004474800000000, -0.0002263700000000, -0.0000936700000000 ] - [ 0.0011192300000000, 0.0011993600000000, 0.0000350400000000 ] - [ -0.0004456800000000, 0.0010818600000000, -0.0001704600000000 ] - [ 0.0008069300000000, 0.0008268400000000, -0.0001053200000000 ] - [ -0.0001784500000000, -0.0010553600000000, -0.0002556300000000 ] - [ 0.0005211000000000, -0.0005216400000000, -0.0001112400000000 ] - [ -0.0000815000000000, 0.0003667500000000, -0.0000110800000000 ] - [ 0.0009436200000000, 0.0012134000000000, -0.0000605400000000 ] - [ -0.0003605000000000, -0.0003358200000000, -0.0001130500000000 ] - [ 0.0004870900000000, -0.0007852800000000, -0.0001308300000000 ] - [ -0.0004339600000000, 0.0009385400000000, -0.0001598100000000 ] - [ 0.0000455400000000, 0.0009782300000000, -0.0001423900000000 ] - [ -0.0002503700000000, -0.0002231200000000, 0.0001299300000000 ] - [ -0.0000951600000000, -0.0006700200000000, -0.0000987200000000 ] - [ -0.0157024800000000, 0.0255603100000000, -0.0125981600000000 ] - [ -0.0010086300000000, -0.0008581100000000, -0.0002777500000000 ] - [ -0.0004305700000000, -0.0001681500000000, 0.0007305600000000 ] - [ -0.0003377100000000, -0.0002113100000000, -0.0002934400000000 ] - [ 0.0006818900000000, -0.0024144100000000, 0.0000027800000000 ] - [ -0.0011060000000000, -0.0018849300000000, 0.0022721200000000 ] - [ 0.0002527900000000, 0.0013330900000000, -0.0003442700000000 ] - [ -0.0007291400000000, -0.0000010800000000, 0.0000799400000000 ] - [ 0.0015272400000000, 0.0012182600000000, 0.0005702500000000 ] - [ -0.0004693900000000, 0.0083147700000000, -0.0013030000000000 ] - [ 0.0000114900000000, -0.0001133200000000, 0.0001169500000000 ] - [ -0.0000601000000000, 0.0000729800000000, -0.0000827200000000 ] - [ 0.0012085600000000, 0.0005962200000000, 0.0002896400000000 ] - [ -0.0003750700000000, 0.0000431200000000, -0.0003412100000000 ] - [ -0.0002780100000000, -0.0000931300000000, 0.0009300000000000 ] - [ 0.0000408000000000, 0.0000541200000000, -0.0001930600000000 ] - [ 0.0001033300000000, 0.0002140800000000, -0.0003067000000000 ] - [ 0.0004481700000000, 0.0002205800000000, 0.0008499500000000 ] - [ 0.0004787300000000, 0.0005835800000000, -0.0004450500000000 ] - [ -0.0007289600000000, -0.0003271200000000, 0.0001850300000000 ] - [ -0.0000953000000000, 0.0006012200000000, -0.0001127800000000 ] - [ 0.0001797200000000, 0.0001771400000000, 0.0002542800000000 ] - [ 0.0000118900000000, -0.0001697000000000, 0.0002042700000000 ] - [ 0.0003526500000000, -0.0006330900000000, -0.0004244600000000 ] - [ 0.0008035700000000, 0.0001507600000000, 0.0001898400000000 ] - [ -0.0004233800000000, -0.0004181700000000, -0.0003880900000000 ] - [ -0.0002541300000000, -0.0003143800000000, 0.0008831900000000 ] - [ 0.0003628500000000, -0.0008933100000000, -0.0013153600000000 ] - [ 0.0003555100000000, -0.0002082900000000, -0.0002927400000000 ] - [ 0.0003022700000000, -0.0003046300000000, 0.0008853600000000 ] - [ 0.0006361900000000, -0.0004189000000000, -0.0004502200000000 ] - [ -0.0007655400000000, 0.0000188200000000, 0.0001260200000000 ] - [ 0.0000491000000000, -0.0005991800000000, -0.0000858600000000 ] - [ 0.0001451100000000, -0.0001697600000000, 0.0001912500000000 ] - [ -0.0003918900000000, -0.0002359500000000, 0.0003017800000000 ] - [ -0.0004276100000000, -0.0001761100000000, -0.0000567100000000 ] - [ 0.0008042800000000, -0.0003942900000000, 0.0001975000000000 ] - [ -0.0009655200000000, 0.0000746800000000, -0.0005468900000000 ] - [ -0.0005119600000000, 0.0004647700000000, 0.0010315500000000 ] - [ -0.0004625600000000, -0.0001328100000000, -0.0001798500000000 ] - [ 0.0004139900000000, -0.0000853100000000, -0.0002420600000000 ] - [ 0.0002463900000000, -0.0000432100000000, 0.0009132500000000 ] - [ 0.0004968300000000, 0.0000706000000000, -0.0003877300000000 ] - [ -0.0010173000000000, -0.0002792400000000, 0.0002297600000000 ] - [ 0.0001597200000000, 0.0001544000000000, -0.0000901600000000 ] - [ 0.0000678900000000, -0.0000578900000000, 0.0001167100000000 ] - [ -0.0000709700000000, -0.0000407300000000, 0.0001534200000000 ] - [ -0.0000688600000000, -0.0004169300000000, -0.0000947200000000 ] - [ 0.0007119300000000, 0.0003725300000000, 0.0001851900000000 ] - [ -0.0005394200000000, -0.0002127200000000, -0.0004016500000000 ] - [ -0.0003233600000000, 0.0000123000000000, 0.0009268800000000 ] - [ -0.0003528200000000, -0.0001271700000000, -0.0002675500000000 ] - [ 0.0003361700000000, 0.0000054800000000, -0.0002456600000000 ] - [ 0.0002378900000000, 0.0000485500000000, 0.0009327800000000 ] - [ 0.0003747200000000, -0.0000676700000000, -0.0003660500000000 ] - [ -0.0008259900000000, 0.0002621500000000, 0.0001914400000000 ] - [ 0.0000718700000000, -0.0002234700000000, -0.0001206400000000 ] - [ -0.0000285600000000, 0.0000672300000000, 0.0001207600000000 ] - [ -0.0001563600000000, -0.0000117300000000, 0.0001317800000000 ] - [ -0.0001888500000000, 0.0002851500000000, -0.0000961500000000 ] - [ 0.0005236500000000, -0.0001971600000000, 0.0001479200000000 ] - [ -0.0006624400000000, 0.0001176900000000, -0.0004294600000000 ] - [ -0.0003310500000000, -0.0000498300000000, 0.0009255500000000 ] - [ -0.0004228500000000, 0.0001301100000000, -0.0001811500000000 ] - [ 0.0002671600000000, 0.0007482100000000, -0.0001998400000000 ] - [ 0.0000382500000000, 0.0001273100000000, 0.0008392000000000 ] - [ 0.0008763600000000, 0.0009493800000000, 0.0003496000000000 ] - [ -0.0009306400000000, -0.0004080400000000, 0.0001990000000000 ] - [ 0.0001532400000000, 0.0008485000000000, -0.0006481100000000 ] - [ -0.0007920600000000, 0.0004055700000000, -0.0001124700000000 ] - [ -0.0002173200000000, -0.0000833400000000, 0.0001538200000000 ] - [ -0.0002260900000000, -0.0002971800000000, -0.0000785700000000 ] - [ 0.0007891600000000, 0.0001845900000000, 0.0001919300000000 ] - [ -0.0007250600000000, -0.0003054200000000, -0.0004505800000000 ] - [ -0.0003207600000000, -0.0002054900000000, 0.0008950100000000 ] - [ -0.0004809100000000, 0.0000635200000000, -0.0002548700000000 ] - [ 0.0003409200000000, -0.0001238800000000, -0.0002704000000000 ] - [ 0.0002837600000000, -0.0002200500000000, 0.0008912200000000 ] - [ 0.0005875500000000, -0.0003465900000000, -0.0004281000000000 ] - [ -0.0008518000000000, 0.0002701400000000, 0.0002039100000000 ] - [ 0.0000752100000000, -0.0004767200000000, -0.0000886500000000 ] - [ 0.0001208700000000, -0.0001230700000000, 0.0001695500000000 ] - [ -0.0000824700000000, 0.0001119300000000, 0.0001566600000000 ] - [ -0.0000902000000000, 0.0003562100000000, -0.0000865100000000 ] - [ 0.0008235900000000, -0.0003495400000000, 0.0001959000000000 ] - [ -0.0005402600000000, 0.0004223300000000, -0.0003848300000000 ] - [ -0.0002558900000000, 0.0003227800000000, 0.0008800700000000 ] - [ -0.0003417200000000, -0.0000251000000000, -0.0002652600000000 ] - [ 0.0003709600000000, -0.0000785500000000, -0.0002253300000000 ] - [ 0.0003540900000000, -0.0000913500000000, 0.0009372600000000 ] - [ 0.0005430300000000, 0.0000863800000000, -0.0003769600000000 ] - [ -0.0006344200000000, -0.0001536000000000, 0.0002140100000000 ] - [ 0.0001755700000000, 0.0001102500000000, -0.0000948400000000 ] - [ 0.0000964000000000, -0.0000742300000000, 0.0001157500000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009342900000000, -0.0002587300000000, -0.0012958700000000 ] - [ 0.0000245700000000, -0.0001904800000000, -0.0004672600000000 ] - [ -0.0000209800000000, -0.0003982900000000, -0.0004859100000000 ] - [ -0.0002678600000000, 0.0001879000000000, -0.0004076800000000 ] - [ -0.0001802700000000, 0.0000440300000000, -0.0004605700000000 ] - [ -0.0000381300000000, -0.0003088300000000, -0.0004400900000000 ] - [ 0.0000322800000000, -0.0001238600000000, -0.0004369200000000 ] - [ 0.0046520200000000, -0.0001348700000000, 0.0004526000000000 ] - [ -0.0188888900000000, 0.0007791300000000, -0.0017233500000000 ] - [ 0.0000186500000000, 0.0001580900000000, -0.0002658700000000 ] - [ 0.0000465600000000, 0.0000254400000000, 0.0002628500000000 ] - [ -0.0000188400000000, -0.0003862800000000, -0.0005729200000000 ] - [ -0.0027052300000000, 0.0343400500000000, -0.0138437100000000 ] - [ -0.0000082600000000, -0.0008478000000000, -0.0013644400000000 ] - [ -0.0011114800000000, -0.0008082500000000, 0.0007329700000000 ] - [ 0.0002170900000000, -0.0001527800000000, -0.0000756800000000 ] - [ -0.0001829800000000, 0.0004159700000000, 0.0007961700000000 ] - [ 0.0016919100000000, -0.0012523200000000, 0.0019242400000000 ] - [ -0.0044116700000000, -0.0022322100000000, 0.0008098900000000 ] - [ -0.0002721700000000, -0.0002547600000000, 0.0001420300000000 ] - [ 0.0013350500000000, 0.0010127000000000, 0.0005298300000000 ] - [ 0.0002317000000000, -0.0004185400000000, -0.0002590100000000 ] - [ 0.0001541400000000, -0.0001955300000000, 0.0004158500000000 ] - [ -0.0000093100000000, 0.0001614000000000, -0.0004789300000000 ] - [ -0.0002006700000000, 0.0000537900000000, 0.0000713400000000 ] - [ 0.0004570000000000, 0.0004314800000000, 0.0003611600000000 ] - [ -0.0002534500000000, 0.0001448900000000, 0.0002351100000000 ] - [ 0.0003287400000000, 0.0000139200000000, -0.0000577500000000 ] - [ 0.0000597800000000, 0.0003676600000000, -0.0007001100000000 ] - [ -0.0001034500000000, 0.0000022500000000, 0.0002117300000000 ] - [ -0.0001478700000000, -0.0002211100000000, -0.0001445500000000 ] - [ -0.0003150400000000, 0.0001374500000000, 0.0000773800000000 ] - [ 0.0003218000000000, -0.0001897600000000, 0.0000971300000000 ] - [ 0.0001881900000000, 0.0002378300000000, -0.0001408600000000 ] - [ 0.0005363500000000, -0.0000116600000000, -0.0002088500000000 ] - [ -0.0000081900000000, -0.0003399900000000, -0.0006661000000000 ] - [ -0.0002369500000000, -0.0000804200000000, -0.0000434900000000 ] - [ 0.0003405200000000, -0.0003462200000000, 0.0003099500000000 ] - [ -0.0003179400000000, -0.0003439800000000, 0.0003012600000000 ] - [ 0.0003652300000000, -0.0001518000000000, -0.0000770700000000 ] - [ 0.0000277300000000, -0.0003379400000000, -0.0006700100000000 ] - [ -0.0000429000000000, 0.0000325900000000, 0.0002735200000000 ] - [ -0.0001573700000000, 0.0002320300000000, -0.0001357400000000 ] - [ -0.0003339300000000, -0.0002274200000000, 0.0001295400000000 ] - [ 0.0003534900000000, 0.0000937300000000, 0.0000276900000000 ] - [ -0.0000303200000000, -0.0003306600000000, -0.0000772000000000 ] - [ -0.0000613200000000, -0.0002318400000000, 0.0004957000000000 ] - [ -0.0001535500000000, 0.0003024300000000, -0.0007042400000000 ] - [ -0.0002446800000000, 0.0000083400000000, -0.0000451700000000 ] - [ 0.0002505000000000, 0.0001333200000000, 0.0002350700000000 ] - [ -0.0004941600000000, 0.0003094700000000, 0.0003048800000000 ] - [ -0.0000111200000000, 0.0000224200000000, 0.0000022800000000 ] - [ 0.0000077000000000, 0.0001673900000000, -0.0005034900000000 ] - [ 0.0000153900000000, -0.0001733800000000, 0.0004061700000000 ] - [ -0.0002184500000000, -0.0003917300000000, -0.0002419500000000 ] - [ -0.0003829400000000, 0.0001100700000000, 0.0000199500000000 ] - [ 0.0003267700000000, -0.0000979200000000, 0.0000429500000000 ] - [ 0.0002119300000000, 0.0003524200000000, -0.0002126900000000 ] - [ 0.0000300200000000, 0.0000769200000000, 0.0003128400000000 ] - [ -0.0000088400000000, -0.0002208400000000, -0.0005353900000000 ] - [ -0.0003333100000000, -0.0000244000000000, -0.0000571300000000 ] - [ 0.0002391600000000, -0.0001383000000000, 0.0002306400000000 ] - [ -0.0002945500000000, -0.0002176600000000, 0.0002645400000000 ] - [ 0.0002400400000000, -0.0000392600000000, -0.0000490900000000 ] - [ 0.0000000800000000, -0.0001685500000000, -0.0004927500000000 ] - [ -0.0000227500000000, 0.0001368900000000, 0.0003610900000000 ] - [ -0.0002355100000000, 0.0004074500000000, -0.0002455900000000 ] - [ -0.0003463600000000, -0.0001517500000000, 0.0000598100000000 ] - [ 0.0002760800000000, 0.0002020300000000, 0.0001561700000000 ] - [ 0.0001903700000000, -0.0003710400000000, -0.0002258000000000 ] - [ -0.0000152000000000, -0.0001174600000000, 0.0003560400000000 ] - [ -0.0000295100000000, 0.0001866700000000, -0.0005140500000000 ] - [ -0.0005523700000000, 0.0000548300000000, -0.0001355800000000 ] - [ 0.0002964500000000, 0.0003803000000000, 0.0003737400000000 ] - [ -0.0002944900000000, 0.0001740400000000, 0.0002541600000000 ] - [ 0.0001395100000000, 0.0000230100000000, -0.0000388100000000 ] - [ -0.0000815700000000, 0.0004382900000000, -0.0007228500000000 ] - [ 0.0000521400000000, 0.0001238300000000, 0.0003143300000000 ] - [ -0.0004237300000000, -0.0003359000000000, -0.0002134400000000 ] - [ -0.0003968500000000, 0.0000716000000000, -0.0000230200000000 ] - [ 0.0003187700000000, -0.0001825900000000, 0.0000955200000000 ] - [ 0.0001573000000000, 0.0002704900000000, -0.0001605700000000 ] - [ -0.0000423500000000, 0.0001564900000000, 0.0003950000000000 ] - [ -0.0000358100000000, -0.0002946200000000, -0.0006270600000000 ] - [ -0.0002505200000000, -0.0000630500000000, -0.0000447900000000 ] - [ 0.0003174900000000, -0.0003032100000000, 0.0002935500000000 ] - [ -0.0003317700000000, -0.0002976700000000, 0.0002957400000000 ] - [ 0.0001704700000000, -0.0000394800000000, -0.0000320700000000 ] - [ 0.0000208200000000, -0.0003045000000000, -0.0006332500000000 ] - [ -0.0000315900000000, 0.0000718500000000, 0.0003029700000000 ] - [ -0.0001780500000000, 0.0002623900000000, -0.0001596100000000 ] - [ -0.0003392700000000, -0.0001285400000000, 0.0000555500000000 ] - [ 0.0003451700000000, 0.0001101800000000, 0.0000397500000000 ] - [ 0.0001636200000000, -0.0002434300000000, -0.0001479100000000 ] - [ 0.0000247700000000, -0.0001270900000000, 0.0003504800000000 ] - [ -0.0000102800000000, 0.0003381200000000, -0.0006608100000000 ] - [ -0.0002227900000000, 0.0000084000000000, -0.0000444600000000 ] - [ 0.0002948900000000, 0.0001825200000000, 0.0002544000000000 ] - [ -0.0003092500000000, 0.0004082400000000, 0.0002444900000000 ] - [ 0.0003514200000000, 0.0000749200000000, -0.0000587100000000 ] - [ 0.0000287300000000, 0.0001788100000000, -0.0004906300000000 ] - [ 0.0000087400000000, -0.0001811500000000, 0.0004069600000000 ] - [ -0.0002020200000000, -0.0003963400000000, -0.0002430200000000 ] - [ -0.0002359800000000, 0.0001144100000000, 0.0001384000000000 ] - [ -0.0020550100000000, 0.0003247600000000, 0.0003794500000000 ] - [ 0.0006322700000000, -0.0012285800000000, -0.0001651100000000 ] - [ 0.0007746000000000, 0.0044064200000000, -0.0009292200000000 ] - [ 0.0005793100000000, 0.0005881300000000, -0.0001325000000000 ] - [ -0.0003996200000000, -0.0010587500000000, -0.0001729000000000 ] - [ -0.0002637600000000, -0.0024710800000000, -0.0003000500000000 ] - [ -0.0003997800000000, 0.0002079200000000, -0.0000962300000000 ] - [ 0.0000432700000000, 0.0004583500000000, -0.0001608900000000 ] - [ -0.0006694700000000, -0.0002303700000000, -0.0000115100000000 ] - [ 0.0003243700000000, -0.0007625200000000, -0.0001558200000000 ] - [ -0.0007511100000000, 0.0009159500000000, -0.0002530000000000 ] - [ -0.0001055800000000, 0.0000739000000000, -0.0002091400000000 ] - [ -0.0004827500000000, -0.0009493500000000, -0.0001542700000000 ] - [ 0.0003575800000000, -0.0005060300000000, -0.0001367300000000 ] - [ -0.0004136600000000, 0.0003502300000000, -0.0001068900000000 ] - [ 0.0007949000000000, 0.0003145500000000, -0.0001257700000000 ] - [ 0.0000372900000000, 0.0001445000000000, 0.0001680100000000 ] - [ -0.0001313900000000, 0.0000015000000000, -0.0000808000000000 ] - [ 0.0205753100000000, -0.0253794500000000, 0.0133044800000000 ] - [ -0.0001199300000000, 0.0004001600000000, -0.0005474400000000 ] - [ -0.0001666100000000, -0.0000283300000000, 0.0010899300000000 ] - [ -0.0003979500000000, 0.0001281400000000, -0.0002244200000000 ] - [ 0.0000508900000000, 0.0023637400000000, -0.0005211000000000 ] - [ 0.0016872000000000, 0.0017014700000000, -0.0004294700000000 ] - [ 0.0008737600000000, -0.0017670200000000, -0.0004615100000000 ] - [ -0.0008796400000000, 0.0005389100000000, 0.0003048700000000 ] - [ -0.0013087800000000, -0.0019026100000000, -0.0007660600000000 ] - [ 0.0007136700000000, -0.0083865000000000, 0.0016277100000000 ] - [ -0.0002268000000000, 0.0001918800000000, 0.0001789500000000 ] - [ -0.0001704300000000, 0.0005879000000000, -0.0000967600000000 ] - [ 0.0004030300000000, -0.0011423700000000, 0.0001039300000000 ] - [ -0.0007546600000000, 0.0004171900000000, -0.0004780000000000 ] - [ -0.0003224500000000, 0.0002807500000000, 0.0008885000000000 ] - [ -0.0007811000000000, 0.0000260500000000, -0.0003222700000000 ] - [ 0.0006307200000000, -0.0001273100000000, -0.0002091700000000 ] - [ 0.0001511200000000, -0.0000360200000000, 0.0009690300000000 ] - [ 0.0006548900000000, -0.0001262300000000, -0.0003752600000000 ] - [ -0.0008804100000000, -0.0002108500000000, 0.0001977100000000 ] - [ 0.0003282800000000, 0.0000629600000000, -0.0000662000000000 ] - [ 0.0000369900000000, -0.0001002200000000, 0.0000426300000000 ] - [ -0.0002253600000000, 0.0000900200000000, 0.0000924000000000 ] - [ -0.0005771400000000, -0.0000361700000000, 0.0002440400000000 ] - [ 0.0008054000000000, 0.0003859200000000, 0.0001926700000000 ] - [ -0.0007082400000000, -0.0000445900000000, -0.0004324300000000 ] - [ -0.0003461300000000, 0.0001238700000000, 0.0009353200000000 ] - [ -0.0010932200000000, 0.0008069900000000, 0.0007809200000000 ] - [ 0.0003795300000000, 0.0001246400000000, -0.0002242000000000 ] - [ 0.0002976000000000, 0.0001151900000000, 0.0009329200000000 ] - [ 0.0004933100000000, -0.0000430300000000, -0.0003692000000000 ] - [ -0.0008440400000000, 0.0005158600000000, 0.0002572500000000 ] - [ 0.0001798300000000, -0.0000646800000000, -0.0000929200000000 ] - [ 0.0000692200000000, 0.0000912300000000, 0.0001054000000000 ] - [ 0.0001731300000000, 0.0003131100000000, -0.0000029300000000 ] - [ 0.0001959000000000, 0.0008388500000000, -0.0001209000000000 ] - [ 0.0008040600000000, -0.0001424900000000, 0.0001852500000000 ] - [ -0.0001722600000000, 0.0003890400000000, -0.0002749800000000 ] - [ -0.0000910600000000, -0.0002675000000000, 0.0007879400000000 ] - [ -0.0002734000000000, 0.0002162700000000, -0.0003315700000000 ] - [ 0.0003213000000000, 0.0001677900000000, -0.0002750900000000 ] - [ 0.0003521700000000, 0.0002313200000000, 0.0009052400000000 ] - [ 0.0006363100000000, 0.0003915500000000, -0.0004339000000000 ] - [ -0.0005945200000000, -0.0002539200000000, 0.0001549200000000 ] - [ 0.0000673400000000, 0.0005138800000000, -0.0000900600000000 ] - [ 0.0001460600000000, 0.0001356400000000, 0.0001791900000000 ] - [ -0.0001442700000000, -0.0000389500000000, 0.0001429800000000 ] - [ -0.0001582300000000, -0.0002535100000000, -0.0000854200000000 ] - [ 0.0008971300000000, 0.0001641900000000, 0.0001976700000000 ] - [ -0.0005964900000000, -0.0002531600000000, -0.0004206900000000 ] - [ -0.0002772400000000, -0.0002028300000000, 0.0008913500000000 ] - [ -0.0003824300000000, 0.0000438900000000, -0.0002503500000000 ] - [ 0.0003979700000000, -0.0000899000000000, -0.0002709000000000 ] - [ 0.0003631100000000, -0.0002345400000000, 0.0008863500000000 ] - [ 0.0007549300000000, -0.0003920600000000, -0.0004544100000000 ] - [ -0.0007826300000000, 0.0002728700000000, 0.0001908700000000 ] - [ 0.0001554100000000, -0.0004425500000000, -0.0000587600000000 ] - [ 0.0002404100000000, -0.0001434000000000, 0.0001756400000000 ] - [ -0.0000564000000000, 0.0000885000000000, 0.0001637200000000 ] - [ -0.0000398300000000, 0.0003748900000000, -0.0000826400000000 ] - [ 0.0010814000000000, -0.0003403100000000, 0.0002355600000000 ] - [ -0.0004648900000000, 0.0003415400000000, -0.0003891900000000 ] - [ -0.0002681500000000, 0.0002361100000000, 0.0008929000000000 ] - [ -0.0003134800000000, -0.0000522900000000, -0.0003342700000000 ] - [ 0.0004694400000000, -0.0006552500000000, -0.0003204800000000 ] - [ 0.0005654900000000, 0.0000555400000000, 0.0009795200000000 ] - [ 0.0002463500000000, -0.0005038800000000, -0.0011765000000000 ] - [ -0.0006763800000000, -0.0001294800000000, 0.0001843600000000 ] - [ 0.0000730300000000, -0.0001666100000000, 0.0004439700000000 ] - [ 0.0010012500000000, -0.0003440600000000, 0.0003976800000000 ] - [ 0.0000017700000000, 0.0000065500000000, 0.0001429900000000 ] - [ -0.0000046600000000, -0.0003616900000000, -0.0001008000000000 ] - [ 0.0008179900000000, 0.0003529300000000, 0.0001904500000000 ] - [ -0.0004073600000000, -0.0001554300000000, -0.0003692700000000 ] - [ -0.0002797400000000, 0.0000168900000000, 0.0009241600000000 ] - [ -0.0002541300000000, -0.0001433000000000, -0.0002599600000000 ] - [ 0.0003942800000000, 0.0000420000000000, -0.0002467800000000 ] - [ 0.0003153700000000, 0.0000317900000000, 0.0009278900000000 ] - [ 0.0005409000000000, -0.0001145400000000, -0.0003906800000000 ] - [ -0.0007571800000000, 0.0002669300000000, 0.0001795700000000 ] - [ 0.0001543400000000, -0.0001873700000000, -0.0000905200000000 ] - [ 0.0000932700000000, 0.0000442200000000, 0.0001269100000000 ] - [ -0.0001309500000000, -0.0000316700000000, 0.0001403900000000 ] - [ -0.0001366100000000, 0.0003111400000000, -0.0000927000000000 ] - [ 0.0007854100000000, -0.0001872600000000, 0.0001862600000000 ] - [ -0.0005916600000000, 0.0000437800000000, -0.0004357100000000 ] - [ -0.0003393100000000, -0.0001293700000000, 0.0009389500000000 ] - [ -0.0003934000000000, 0.0001075000000000, -0.0002526000000000 ] - [ 0.0003646500000000, 0.0001590500000000, -0.0002929400000000 ] - [ 0.0002453800000000, 0.0002775300000000, 0.0008818500000000 ] - [ 0.0005903900000000, 0.0003755200000000, -0.0004435300000000 ] - [ -0.0009707500000000, -0.0003846900000000, 0.0001674200000000 ] - [ 0.0000529600000000, 0.0005573200000000, -0.0000839500000000 ] - [ 0.0001189000000000, 0.0001521900000000, 0.0001801000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004691200000000, -0.0001198500000000, 0.0000697800000000 ] - [ 0.0000103900000000, -0.0000303500000000, -0.0004498400000000 ] - [ -0.0000163200000000, 0.0000007700000000, -0.0004666600000000 ] - [ 0.0002719500000000, 0.0001686900000000, -0.0004185200000000 ] - [ 0.0002074700000000, 0.0000659400000000, -0.0004647200000000 ] - [ -0.0000099400000000, 0.0000335400000000, -0.0004641400000000 ] - [ 0.0000240300000000, -0.0000081700000000, -0.0004585200000000 ] - [ 0.0008884600000000, -0.0012433100000000, -0.0005829800000000 ] - [ -0.0263851000000000, 0.0007462700000000, -0.0074020300000000 ] - [ 0.0002427700000000, 0.0003873800000000, -0.0002006600000000 ] - [ -0.0000019500000000, 0.0001304400000000, 0.0003682600000000 ] - [ -0.0000722900000000, -0.0002332400000000, -0.0004895300000000 ] - [ -0.0378309900000000, 0.0134981100000000, -0.0546980700000000 ] - [ 0.0002298500000000, 0.0009103300000000, 0.0009036000000000 ] - [ -0.0001024400000000, -0.0001898900000000, 0.0003099800000000 ] - [ 0.0001784400000000, -0.0000073700000000, -0.0000380800000000 ] - [ -0.0006102900000000, -0.0002554400000000, 0.0013140600000000 ] - [ -0.0002814100000000, -0.0005876500000000, -0.0005079200000000 ] - [ -0.0024035600000000, -0.0001493800000000, -0.0022284200000000 ] - [ -0.0003528700000000, -0.0001353300000000, 0.0000475100000000 ] - [ -0.0009385700000000, -0.0009073600000000, -0.0020391600000000 ] - [ 0.0001867200000000, -0.0003275800000000, -0.0001996600000000 ] - [ -0.0000369600000000, -0.0001705500000000, 0.0003679200000000 ] - [ -0.0000255300000000, 0.0002393600000000, -0.0005646100000000 ] - [ -0.0001915500000000, -0.0000498900000000, -0.0002085300000000 ] - [ 0.0002960500000000, 0.0001245000000000, 0.0002162700000000 ] - [ -0.0003013200000000, 0.0002348800000000, 0.0002705000000000 ] - [ 0.0002193800000000, 0.0000266900000000, -0.0000411200000000 ] - [ 0.0000590500000000, 0.0001542600000000, -0.0004743600000000 ] - [ 0.0001233200000000, -0.0000487200000000, 0.0002748300000000 ] - [ -0.0001775100000000, -0.0003577100000000, -0.0002147800000000 ] - [ -0.0003345100000000, 0.0001299700000000, 0.0000577000000000 ] - [ 0.0003338300000000, -0.0001445000000000, 0.0000661400000000 ] - [ 0.0001843300000000, 0.0003151100000000, -0.0001927300000000 ] - [ -0.0001485600000000, 0.0001522300000000, 0.0006912800000000 ] - [ -0.0000236900000000, -0.0002554600000000, -0.0005835200000000 ] - [ -0.0002469400000000, -0.0000408900000000, -0.0000455000000000 ] - [ 0.0002939600000000, -0.0002358600000000, 0.0002698000000000 ] - [ -0.0003081600000000, -0.0002500500000000, 0.0002788600000000 ] - [ 0.0002134700000000, -0.0000090900000000, -0.0000384600000000 ] - [ 0.0000188300000000, -0.0002469100000000, -0.0005786900000000 ] - [ -0.0000160600000000, 0.0001115300000000, 0.0003438100000000 ] - [ -0.0001915200000000, 0.0003194900000000, -0.0001939600000000 ] - [ -0.0003305800000000, -0.0000999300000000, 0.0000874600000000 ] - [ 0.0003323000000000, 0.0001440100000000, 0.0000671900000000 ] - [ 0.0000916200000000, -0.0001470400000000, -0.0000087600000000 ] - [ 0.0000040500000000, -0.0001162700000000, 0.0003694800000000 ] - [ 0.0000141300000000, 0.0005362200000000, -0.0007772100000000 ] - [ -0.0002421400000000, 0.0000400000000000, -0.0000446200000000 ] - [ 0.0002984200000000, 0.0002406700000000, 0.0002727600000000 ] - [ -0.0003608600000000, 0.0003933600000000, 0.0002862900000000 ] - [ 0.0001908700000000, 0.0000871500000000, -0.0000218100000000 ] - [ 0.0000200900000000, 0.0002479800000000, -0.0005796000000000 ] - [ -0.0000104600000000, -0.0001190000000000, 0.0003506600000000 ] - [ -0.0001877000000000, -0.0003187400000000, -0.0001936500000000 ] - [ -0.0003199900000000, 0.0001631000000000, 0.0000933200000000 ] - [ 0.0003906900000000, -0.0001176600000000, 0.0000093500000000 ] - [ 0.0002003600000000, 0.0002833600000000, -0.0001784700000000 ] - [ 0.0000227600000000, 0.0001026400000000, 0.0003319300000000 ] - [ -0.0000109400000000, -0.0002730800000000, -0.0006124100000000 ] - [ -0.0000634500000000, -0.0000272500000000, -0.0000258800000000 ] - [ 0.0003512400000000, -0.0002602100000000, 0.0002863200000000 ] - [ -0.0002759200000000, -0.0002437300000000, 0.0002701400000000 ] - [ 0.0002837600000000, -0.0000525500000000, -0.0000481300000000 ] - [ 0.0000576100000000, -0.0002509700000000, -0.0005835200000000 ] - [ 0.0000333000000000, 0.0001353100000000, 0.0003793600000000 ] - [ -0.0001439900000000, 0.0003008900000000, -0.0001830300000000 ] - [ -0.0003216100000000, -0.0001489500000000, 0.0000782000000000 ] - [ 0.0003949300000000, 0.0000986300000000, -0.0000271000000000 ] - [ 0.0001942600000000, -0.0003184400000000, -0.0001941300000000 ] - [ 0.0000360400000000, -0.0000987400000000, 0.0003324700000000 ] - [ -0.0000180100000000, 0.0002521700000000, -0.0005785300000000 ] - [ 0.0000484000000000, 0.0001574000000000, -0.0002108900000000 ] - [ 0.0003258000000000, 0.0002368600000000, 0.0002328800000000 ] - [ -0.0002976900000000, 0.0002466600000000, 0.0002729500000000 ] - [ 0.0002689900000000, 0.0000455200000000, -0.0000488000000000 ] - [ 0.0000768700000000, 0.0003282500000000, -0.0005308800000000 ] - [ -0.0002171500000000, -0.0001294000000000, -0.0000663000000000 ] - [ -0.0001240200000000, -0.0001599300000000, -0.0002155600000000 ] - [ -0.0003251600000000, 0.0001617800000000, 0.0000824100000000 ] - [ 0.0003356400000000, -0.0001440600000000, 0.0000643100000000 ] - [ 0.0001969900000000, 0.0003347000000000, -0.0002040000000000 ] - [ 0.0000331100000000, 0.0001357500000000, 0.0003525100000000 ] - [ -0.0000187900000000, -0.0002380000000000, -0.0005637600000000 ] - [ -0.0002300100000000, -0.0000393700000000, -0.0000437300000000 ] - [ 0.0003079700000000, -0.0002493800000000, 0.0002760600000000 ] - [ -0.0002912200000000, -0.0002314100000000, 0.0002670200000000 ] - [ 0.0002749100000000, -0.0000353200000000, -0.0000483600000000 ] - [ 0.0000252900000000, -0.0002500000000000, -0.0005751000000000 ] - [ -0.0000081600000000, 0.0001157300000000, 0.0003501200000000 ] - [ -0.0001852400000000, 0.0003198400000000, -0.0001938600000000 ] - [ -0.0003180400000000, -0.0001536000000000, 0.0000811900000000 ] - [ 0.0003377200000000, 0.0001431500000000, 0.0000621800000000 ] - [ 0.0002268700000000, -0.0003526500000000, -0.0002120700000000 ] - [ 0.0000148800000000, -0.0001190200000000, 0.0003487700000000 ] - [ -0.0000167200000000, 0.0002176800000000, -0.0005439200000000 ] - [ -0.0002350700000000, 0.0000391500000000, -0.0000447900000000 ] - [ 0.0003003400000000, 0.0002383300000000, 0.0002713000000000 ] - [ -0.0002632100000000, 0.0001341000000000, 0.0002969400000000 ] - [ 0.0002646000000000, 0.0000256300000000, -0.0000453900000000 ] - [ 0.0000215300000000, 0.0002445000000000, -0.0005694600000000 ] - [ -0.0000127100000000, -0.0001112400000000, 0.0003457000000000 ] - [ -0.0001902500000000, -0.0003246100000000, -0.0001977200000000 ] - [ -0.0003677800000000, 0.0001492200000000, 0.0000317200000000 ] - [ 0.0026252600000000, -0.0018113300000000, 0.0010432300000000 ] - [ 0.0002790800000000, -0.0007092500000000, -0.0001474500000000 ] - [ 0.0065194600000000, 0.0001809600000000, 0.0086586400000000 ] - [ 0.0004725000000000, 0.0004758300000000, -0.0001114300000000 ] - [ -0.0004334300000000, -0.0006443700000000, -0.0001336000000000 ] - [ -0.0000679000000000, -0.0011993400000000, -0.0002611000000000 ] - [ -0.0004448900000000, 0.0006318000000000, -0.0001307700000000 ] - [ 0.0004299900000000, 0.0007980300000000, -0.0001622000000000 ] - [ 0.0002033500000000, -0.0007577900000000, -0.0002796500000000 ] - [ 0.0005191600000000, -0.0006422700000000, -0.0001270200000000 ] - [ -0.0000073900000000, 0.0005655700000000, -0.0000404000000000 ] - [ 0.0004511900000000, 0.0008555500000000, -0.0001402300000000 ] - [ -0.0004152200000000, -0.0006446500000000, -0.0001339300000000 ] - [ 0.0005667500000000, -0.0006829400000000, -0.0001186200000000 ] - [ -0.0004036800000000, 0.0006460900000000, -0.0001348100000000 ] - [ 0.0004069500000000, 0.0005697800000000, -0.0000942400000000 ] - [ -0.0000976000000000, -0.0000997300000000, 0.0001434000000000 ] - [ -0.0000812100000000, -0.0004140500000000, -0.0000919500000000 ] - [ 0.0650305300000000, -0.0098979900000000, 0.0465406200000000 ] - [ -0.0005844100000000, -0.0003722300000000, -0.0003993800000000 ] - [ -0.0001087400000000, -0.0003225400000000, 0.0008154100000000 ] - [ -0.0003479500000000, -0.0000561500000000, -0.0002674800000000 ] - [ 0.0005739900000000, -0.0005954100000000, 0.0002403100000000 ] - [ 0.0019127000000000, 0.0011850700000000, 0.0007866200000000 ] - [ 0.0009365800000000, -0.0009665400000000, -0.0038931300000000 ] - [ -0.0007167600000000, 0.0002609400000000, 0.0001750600000000 ] - [ -0.0003425300000000, 0.0009994800000000, -0.0010803200000000 ] - [ -0.0081577200000000, -0.0008968900000000, 0.0060111200000000 ] - [ -0.0000770200000000, 0.0000597500000000, 0.0001727900000000 ] - [ -0.0000324400000000, 0.0004683700000000, -0.0000919300000000 ] - [ 0.0009508200000000, 0.0005033100000000, 0.0012298800000000 ] - [ -0.0005378900000000, 0.0002629800000000, -0.0004136100000000 ] - [ -0.0002944100000000, 0.0001126300000000, 0.0009050800000000 ] - [ -0.0002858500000000, 0.0001546900000000, -0.0002511400000000 ] - [ 0.0002678500000000, -0.0001350200000000, -0.0001773300000000 ] - [ 0.0002510100000000, 0.0002592600000000, 0.0008382800000000 ] - [ 0.0001376400000000, 0.0004116800000000, -0.0004036100000000 ] - [ -0.0007978200000000, -0.0002390300000000, 0.0001868300000000 ] - [ -0.0002554600000000, 0.0003431900000000, -0.0001014600000000 ] - [ 0.0000608300000000, 0.0000921500000000, 0.0002810200000000 ] - [ -0.0000710700000000, -0.0000279700000000, 0.0001193100000000 ] - [ -0.0000740400000000, -0.0002541100000000, -0.0003178900000000 ] - [ 0.0008128200000000, 0.0002657500000000, 0.0001926300000000 ] - [ -0.0005576400000000, -0.0002102900000000, -0.0004148100000000 ] - [ -0.0002933900000000, -0.0000873700000000, 0.0009131300000000 ] - [ -0.0000203100000000, -0.0004670200000000, -0.0003989400000000 ] - [ 0.0003769300000000, -0.0000351700000000, -0.0002584100000000 ] - [ 0.0003186800000000, -0.0000821700000000, 0.0009128700000000 ] - [ 0.0005776600000000, -0.0002304800000000, -0.0004095300000000 ] - [ -0.0007920100000000, 0.0002212300000000, 0.0002259900000000 ] - [ 0.0001222900000000, -0.0003252800000000, -0.0000895200000000 ] - [ 0.0001151700000000, -0.0000364800000000, 0.0001467300000000 ] - [ 0.0000427300000000, 0.0000127000000000, -0.0000270300000000 ] - [ 0.0000097100000000, 0.0003802200000000, -0.0001204300000000 ] - [ 0.0008115500000000, -0.0002675000000000, 0.0001914300000000 ] - [ -0.0003434800000000, 0.0000746400000000, -0.0002408200000000 ] - [ -0.0004498500000000, -0.0003704300000000, 0.0008026200000000 ] - [ -0.0003536800000000, 0.0000382800000000, -0.0002677800000000 ] - [ 0.0003678100000000, 0.0000522700000000, -0.0002583500000000 ] - [ 0.0003111800000000, 0.0000793800000000, 0.0009145600000000 ] - [ 0.0005702200000000, 0.0002293300000000, -0.0004111100000000 ] - [ -0.0008102500000000, -0.0003563900000000, 0.0001778000000000 ] - [ 0.0001108300000000, 0.0003433600000000, -0.0000914500000000 ] - [ 0.0001074500000000, 0.0000384800000000, 0.0001487700000000 ] - [ -0.0001315800000000, 0.0000048500000000, 0.0001420500000000 ] - [ -0.0001452300000000, -0.0002778400000000, -0.0000922500000000 ] - [ 0.0006232900000000, 0.0002315500000000, 0.0001681100000000 ] - [ -0.0006113200000000, -0.0001878500000000, -0.0004044600000000 ] - [ -0.0003948400000000, 0.0000073200000000, 0.0009305100000000 ] - [ -0.0003828900000000, -0.0000284500000000, -0.0002494000000000 ] - [ 0.0002768700000000, -0.0000440000000000, -0.0002674600000000 ] - [ 0.0002010000000000, -0.0001095700000000, 0.0009106100000000 ] - [ 0.0002837400000000, -0.0002165600000000, -0.0003460600000000 ] - [ -0.0008580300000000, 0.0002735300000000, 0.0001953300000000 ] - [ -0.0000174400000000, -0.0003493400000000, -0.0001082500000000 ] - [ -0.0000693000000000, -0.0000171000000000, 0.0001514900000000 ] - [ -0.0001366800000000, 0.0000335700000000, 0.0001399400000000 ] - [ -0.0001659000000000, 0.0003007200000000, -0.0000900600000000 ] - [ 0.0005977700000000, -0.0002804700000000, 0.0002309700000000 ] - [ -0.0006104000000000, 0.0002184400000000, -0.0004200100000000 ] - [ -0.0003117800000000, 0.0000839700000000, 0.0009101400000000 ] - [ -0.0004087500000000, 0.0000349000000000, -0.0002094500000000 ] - [ 0.0002056300000000, 0.0004324900000000, 0.0000931600000000 ] - [ 0.0002103700000000, -0.0000994600000000, 0.0009099700000000 ] - [ 0.0004285500000000, 0.0006927200000000, 0.0003559500000000 ] - [ -0.0008315100000000, -0.0002980000000000, 0.0001999100000000 ] - [ 0.0002721500000000, -0.0000795600000000, 0.0016049800000000 ] - [ 0.0004682000000000, -0.0010748100000000, 0.0032381900000000 ] - [ -0.0001353700000000, -0.0000741200000000, 0.0001543700000000 ] - [ -0.0001291200000000, -0.0004344300000000, -0.0000737500000000 ] - [ 0.0007976400000000, 0.0002707400000000, 0.0001919600000000 ] - [ -0.0006153800000000, -0.0002606900000000, -0.0004305300000000 ] - [ -0.0003127900000000, -0.0001078700000000, 0.0009074700000000 ] - [ -0.0004559000000000, -0.0000623600000000, -0.0002798500000000 ] - [ 0.0003536300000000, -0.0000475500000000, -0.0002534300000000 ] - [ 0.0002859800000000, -0.0000980500000000, 0.0009064600000000 ] - [ 0.0005496800000000, -0.0002251000000000, -0.0004080800000000 ] - [ -0.0008457000000000, 0.0002744800000000, 0.0001943100000000 ] - [ 0.0001070600000000, -0.0003308200000000, -0.0000924700000000 ] - [ 0.0000982400000000, -0.0000388500000000, 0.0001472000000000 ] - [ -0.0001551200000000, 0.0000635400000000, 0.0001534300000000 ] - [ -0.0001315100000000, 0.0003616200000000, -0.0000899500000000 ] - [ 0.0007985900000000, -0.0002655800000000, 0.0001917400000000 ] - [ -0.0006624500000000, 0.0003363000000000, -0.0004027400000000 ] - [ -0.0004068000000000, 0.0001229500000000, 0.0008758800000000 ] - [ -0.0003732500000000, 0.0000512100000000, -0.0002580100000000 ] - [ 0.0003639900000000, 0.0000331200000000, -0.0002546000000000 ] - [ 0.0002974500000000, 0.0001077500000000, 0.0009049500000000 ] - [ 0.0005655500000000, 0.0002346500000000, -0.0004108400000000 ] - [ -0.0007996000000000, -0.0001781300000000, 0.0002109000000000 ] - [ 0.0001162200000000, 0.0003269900000000, -0.0000907900000000 ] - [ 0.0001077500000000, 0.0000404800000000, 0.0001465500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004687100000000, 0.0001159600000000, -0.0009765700000000 ] - [ -0.0000103200000000, 0.0000301100000000, -0.0004624700000000 ] - [ 0.0000155300000000, -0.0000004900000000, -0.0004454300000000 ] - [ -0.0002704400000000, -0.0001683800000000, -0.0004938300000000 ] - [ -0.0002081500000000, -0.0000656800000000, -0.0004478900000000 ] - [ 0.0000094900000000, -0.0000338100000000, -0.0004483800000000 ] - [ -0.0000235300000000, 0.0000084000000000, -0.0004538500000000 ] - [ -0.0008824700000000, 0.0012089400000000, -0.0003022800000000 ] - [ 0.0270621100000000, -0.0013269600000000, 0.0074888500000000 ] - [ 0.0001347500000000, 0.0002537800000000, -0.0001865600000000 ] - [ 0.0000269300000000, 0.0000990100000000, 0.0003259900000000 ] - [ 0.0000279500000000, -0.0002630300000000, -0.0006627500000000 ] - [ 0.0353996200000000, -0.0135689500000000, 0.0533062700000000 ] - [ 0.0003666200000000, -0.0013789600000000, -0.0003688700000000 ] - [ -0.0004965200000000, -0.0002925400000000, 0.0002311300000000 ] - [ 0.0002970500000000, -0.0000723000000000, -0.0000512600000000 ] - [ 0.0006598500000000, -0.0002174100000000, -0.0024630500000000 ] - [ 0.0002462200000000, 0.0008268800000000, 0.0011881500000000 ] - [ 0.0020074100000000, 0.0007767500000000, 0.0018665600000000 ] - [ -0.0003162900000000, -0.0001529000000000, 0.0000831200000000 ] - [ 0.0016112900000000, 0.0011766400000000, 0.0021667400000000 ] - [ 0.0001914600000000, -0.0003138800000000, -0.0001900300000000 ] - [ 0.0000618900000000, -0.0000584800000000, 0.0003251000000000 ] - [ -0.0000186000000000, 0.0002561900000000, -0.0005848100000000 ] - [ -0.0002812300000000, 0.0001294900000000, 0.0001186000000000 ] - [ 0.0003057400000000, 0.0003588400000000, 0.0003283900000000 ] - [ -0.0003011700000000, 0.0002498300000000, 0.0002749000000000 ] - [ 0.0002559600000000, 0.0000529500000000, -0.0000485900000000 ] - [ -0.0000144400000000, 0.0003412300000000, -0.0006752500000000 ] - [ -0.0001483500000000, -0.0001804100000000, 0.0004189300000000 ] - [ -0.0002003000000000, -0.0002838700000000, -0.0001748300000000 ] - [ -0.0003346600000000, 0.0001583600000000, 0.0000727600000000 ] - [ 0.0003354300000000, -0.0001437200000000, 0.0000641100000000 ] - [ 0.0001940200000000, 0.0003265300000000, -0.0001972100000000 ] - [ 0.0001754200000000, 0.0000777800000000, 0.0000013400000000 ] - [ -0.0000205600000000, -0.0002398600000000, -0.0005654700000000 ] - [ -0.0002291000000000, -0.0000387700000000, -0.0000442800000000 ] - [ 0.0003083300000000, -0.0002484500000000, 0.0002754700000000 ] - [ -0.0002942500000000, -0.0002341400000000, 0.0002662800000000 ] - [ 0.0002619500000000, -0.0000706200000000, -0.0000514500000000 ] - [ 0.0000254400000000, -0.0002487800000000, -0.0005709100000000 ] - [ -0.0000093500000000, 0.0001176800000000, 0.0003498100000000 ] - [ -0.0001865400000000, 0.0003218300000000, -0.0001956300000000 ] - [ -0.0003393200000000, -0.0001877200000000, 0.0000415300000000 ] - [ 0.0003370000000000, 0.0001443100000000, 0.0000631400000000 ] - [ 0.0002882700000000, -0.0004934500000000, -0.0003819600000000 ] - [ 0.0000217600000000, -0.0001123800000000, 0.0003231900000000 ] - [ -0.0000587600000000, -0.0000416800000000, -0.0003715500000000 ] - [ -0.0002333600000000, 0.0000396900000000, -0.0000450200000000 ] - [ 0.0003034700000000, 0.0002425300000000, 0.0002717900000000 ] - [ -0.0002403700000000, 0.0000905400000000, 0.0002585900000000 ] - [ 0.0002865100000000, -0.0000074800000000, -0.0000684400000000 ] - [ 0.0000241500000000, 0.0002471900000000, -0.0005692100000000 ] - [ -0.0000142500000000, -0.0001106800000000, 0.0003438900000000 ] - [ -0.0001906600000000, -0.0003230400000000, -0.0001963800000000 ] - [ -0.0003493900000000, 0.0001247500000000, 0.0000362300000000 ] - [ 0.0002791500000000, -0.0001700300000000, 0.0001198000000000 ] - [ 0.0001780900000000, 0.0003582200000000, -0.0002114300000000 ] - [ 0.0000020700000000, 0.0001270300000000, 0.0003627200000000 ] - [ -0.0000331500000000, -0.0002222000000000, -0.0005365400000000 ] - [ -0.0004122600000000, -0.0000522400000000, -0.0000640600000000 ] - [ 0.0002511300000000, -0.0002233300000000, 0.0002585300000000 ] - [ -0.0003260100000000, -0.0002400000000000, 0.0002745900000000 ] - [ 0.0001921000000000, -0.0000272100000000, -0.0000416800000000 ] - [ -0.0000132400000000, -0.0002438600000000, -0.0005649400000000 ] - [ -0.0000584900000000, 0.0000940500000000, 0.0003145700000000 ] - [ -0.0002344600000000, 0.0003412900000000, -0.0002073400000000 ] - [ -0.0003476500000000, -0.0001394400000000, 0.0000521700000000 ] - [ 0.0002744100000000, 0.0001894000000000, 0.0001570000000000 ] - [ 0.0001836900000000, -0.0003228800000000, -0.0001953600000000 ] - [ -0.0000108000000000, -0.0001307100000000, 0.0003616400000000 ] - [ -0.0000262200000000, 0.0002434400000000, -0.0005710400000000 ] - [ -0.0005321500000000, -0.0000752500000000, 0.0001161900000000 ] - [ 0.0002762100000000, 0.0002480700000000, 0.0003137100000000 ] - [ -0.0003047900000000, 0.0002378900000000, 0.0002724100000000 ] - [ 0.0002064800000000, 0.0000340200000000, -0.0000409100000000 ] - [ -0.0000308300000000, 0.0001685700000000, -0.0006162300000000 ] - [ 0.0001885200000000, -0.0000952100000000, 0.0007523000000000 ] - [ -0.0002552100000000, -0.0004847800000000, -0.0001810200000000 ] - [ -0.0003441100000000, 0.0001263200000000, 0.0000478200000000 ] - [ 0.0003337700000000, -0.0001441300000000, 0.0000658600000000 ] - [ 0.0001817800000000, 0.0003073600000000, -0.0001862300000000 ] - [ -0.0000071400000000, 0.0000932100000000, 0.0003406000000000 ] - [ -0.0000251800000000, -0.0002570300000000, -0.0005849000000000 ] - [ -0.0002452300000000, -0.0000403100000000, -0.0000458600000000 ] - [ 0.0002947700000000, -0.0002356300000000, 0.0002695200000000 ] - [ -0.0003105800000000, -0.0002521000000000, 0.0002776500000000 ] - [ 0.0002023000000000, -0.0000443500000000, -0.0000417600000000 ] - [ 0.0000190600000000, -0.0002461000000000, -0.0005751100000000 ] - [ -0.0000173000000000, 0.0001133400000000, 0.0003431700000000 ] - [ -0.0001924400000000, 0.0003210500000000, -0.0001952000000000 ] - [ -0.0003511200000000, -0.0001345700000000, 0.0000488100000000 ] - [ 0.0003316800000000, 0.0001448600000000, 0.0000677300000000 ] - [ 0.0001523000000000, -0.0002899300000000, -0.0001785500000000 ] - [ 0.0000106700000000, -0.0001102600000000, 0.0003446900000000 ] - [ -0.0000277000000000, 0.0002770700000000, -0.0006037600000000 ] - [ -0.0002412500000000, 0.0000404100000000, -0.0000451000000000 ] - [ 0.0003016000000000, 0.0002450600000000, 0.0002734100000000 ] - [ -0.0003376400000000, 0.0003483100000000, 0.0002486800000000 ] - [ 0.0002129700000000, 0.0000539300000000, -0.0000448200000000 ] - [ 0.0000225800000000, 0.0002504300000000, -0.0005791400000000 ] - [ -0.0000122400000000, -0.0001183500000000, 0.0003487100000000 ] - [ -0.0001883300000000, -0.0003174000000000, -0.0001925000000000 ] - [ -0.0003024300000000, 0.0001380800000000, 0.0000968300000000 ] - [ -0.0035545400000000, 0.0004887800000000, -0.0012823000000000 ] - [ 0.0005627500000000, -0.0005793100000000, -0.0001165200000000 ] - [ -0.0072208500000000, 0.0010937200000000, -0.0089446800000000 ] - [ 0.0003699200000000, 0.0008114500000000, -0.0001523100000000 ] - [ -0.0004088600000000, -0.0006438100000000, -0.0001298900000000 ] - [ 0.0009099000000000, -0.0000828600000000, -0.0000018500000000 ] - [ -0.0003974200000000, 0.0006565800000000, -0.0001323600000000 ] - [ 0.0004138600000000, 0.0004908300000000, -0.0001013400000000 ] - [ -0.0010437400000000, -0.0005288500000000, 0.0000167700000000 ] - [ 0.0003230500000000, -0.0006465800000000, -0.0001368900000000 ] - [ -0.0008267700000000, 0.0007267500000000, -0.0002193300000000 ] - [ 0.0003914000000000, 0.0004329600000000, -0.0001229700000000 ] - [ -0.0004259500000000, -0.0006432000000000, -0.0001299100000000 ] - [ 0.0002772700000000, -0.0006065200000000, -0.0001453100000000 ] - [ -0.0004391900000000, 0.0006419600000000, -0.0001284300000000 ] - [ 0.0004345500000000, 0.0007151300000000, -0.0001687900000000 ] - [ -0.0001168000000000, 0.0000227900000000, 0.0001559400000000 ] - [ -0.0001462100000000, -0.0002425700000000, -0.0000877800000000 ] - [ -0.0614971600000000, 0.0107593100000000, -0.0449412700000000 ] - [ -0.0005503000000000, -0.0000967100000000, -0.0004175000000000 ] - [ -0.0004952400000000, 0.0001515700000000, 0.0010034200000000 ] - [ -0.0003787800000000, -0.0000224400000000, -0.0002480600000000 ] - [ 0.0001568400000000, 0.0005031200000000, -0.0007548300000000 ] - [ -0.0013048000000000, -0.0013802700000000, 0.0010120200000000 ] - [ 0.0001570300000000, 0.0004957100000000, 0.0030712400000000 ] - [ -0.0008884700000000, 0.0002708800000000, 0.0001975500000000 ] - [ 0.0005608000000000, -0.0016498300000000, 0.0009030300000000 ] - [ 0.0083611600000000, 0.0008177000000000, -0.0055401700000000 ] - [ -0.0001381400000000, 0.0000177800000000, 0.0001269900000000 ] - [ -0.0001958200000000, 0.0001865100000000, -0.0000873900000000 ] - [ 0.0006479500000000, -0.0010302300000000, -0.0008419600000000 ] - [ -0.0005932600000000, 0.0002038300000000, -0.0004041800000000 ] - [ -0.0003101000000000, 0.0000650600000000, 0.0009136300000000 ] - [ -0.0004400100000000, -0.0000769700000000, -0.0002643900000000 ] - [ 0.0004567400000000, 0.0002120700000000, -0.0003371500000000 ] - [ 0.0003515000000000, -0.0000811800000000, 0.0009802000000000 ] - [ 0.0009924300000000, 0.0000559300000000, -0.0004125900000000 ] - [ -0.0008080400000000, -0.0002934900000000, 0.0001863800000000 ] - [ 0.0004850200000000, 0.0003104400000000, -0.0000774300000000 ] - [ 0.0001524800000000, -0.0000144600000000, 0.0000192400000000 ] - [ -0.0001431400000000, -0.0000487200000000, 0.0001817200000000 ] - [ -0.0001544700000000, -0.0003975500000000, 0.0001369400000000 ] - [ 0.0007933800000000, 0.0002665700000000, 0.0001807300000000 ] - [ -0.0005736400000000, -0.0002562200000000, -0.0004032000000000 ] - [ -0.0003101600000000, -0.0000904300000000, 0.0009057200000000 ] - [ -0.0007030100000000, 0.0003912800000000, -0.0001072300000000 ] - [ 0.0003501700000000, -0.0000425800000000, -0.0002571600000000 ] - [ 0.0002853100000000, -0.0000954800000000, 0.0009055200000000 ] - [ 0.0005542000000000, -0.0002363000000000, -0.0004083200000000 ] - [ -0.0008125100000000, 0.0003099400000000, 0.0001472100000000 ] - [ 0.0001063900000000, -0.0003294700000000, -0.0000895800000000 ] - [ 0.0001005300000000, -0.0000413000000000, 0.0001536700000000 ] - [ -0.0002582600000000, 0.0000642600000000, 0.0003280700000000 ] - [ -0.0002385100000000, 0.0002747100000000, -0.0000583000000000 ] - [ 0.0007943000000000, -0.0002644900000000, 0.0001815500000000 ] - [ -0.0007905900000000, 0.0003926300000000, -0.0005779700000000 ] - [ -0.0001561600000000, 0.0005490000000000, 0.0010201700000000 ] - [ -0.0003729000000000, 0.0000406900000000, -0.0002455800000000 ] - [ 0.0003589400000000, 0.0000258600000000, -0.0002584800000000 ] - [ 0.0002926000000000, 0.0000980800000000, 0.0009041800000000 ] - [ 0.0005640300000000, 0.0002386800000000, -0.0004086400000000 ] - [ -0.0007966500000000, -0.0001745700000000, 0.0001961000000000 ] - [ 0.0001167500000000, 0.0003141100000000, -0.0000878900000000 ] - [ 0.0001079300000000, 0.0000389600000000, 0.0001521200000000 ] - [ -0.0000840900000000, -0.0000823700000000, 0.0001586200000000 ] - [ -0.0000831000000000, -0.0003786700000000, -0.0000874000000000 ] - [ 0.0009818000000000, 0.0002995300000000, 0.0002049200000000 ] - [ -0.0005230400000000, -0.0002801600000000, -0.0004146900000000 ] - [ -0.0002094000000000, -0.0001842400000000, 0.0008881600000000 ] - [ -0.0003438900000000, -0.0000494700000000, -0.0002674900000000 ] - [ 0.0004494100000000, -0.0000343100000000, -0.0002482800000000 ] - [ 0.0004019800000000, -0.0000684000000000, 0.0009085000000000 ] - [ 0.0008487700000000, -0.0002523200000000, -0.0004734600000000 ] - [ -0.0007480800000000, 0.0002584300000000, 0.0001776700000000 ] - [ 0.0002449900000000, -0.0003083300000000, -0.0000711600000000 ] - [ 0.0002837600000000, -0.0000612400000000, 0.0001493500000000 ] - [ -0.0000784200000000, 0.0000441400000000, 0.0001604800000000 ] - [ -0.0000618400000000, 0.0003551300000000, -0.0000893300000000 ] - [ 0.0010118000000000, -0.0002529200000000, 0.0001443800000000 ] - [ -0.0005219800000000, 0.0002487400000000, -0.0003982600000000 ] - [ -0.0002919300000000, 0.0000931900000000, 0.0009083600000000 ] - [ -0.0003178200000000, 0.0000424400000000, -0.0003069800000000 ] - [ 0.0005187100000000, -0.0003518500000000, -0.0006011700000000 ] - [ 0.0003934700000000, 0.0002787000000000, 0.0009111000000000 ] - [ 0.0007082200000000, -0.0002375200000000, -0.0012004000000000 ] - [ -0.0007737000000000, -0.0002338900000000, 0.0001734100000000 ] - [ -0.0000258300000000, 0.0007354300000000, -0.0017941000000000 ] - [ -0.0002306600000000, 0.0011846600000000, -0.0029816100000000 ] - [ -0.0000810000000000, -0.0000033400000000, 0.0001470600000000 ] - [ -0.0001003300000000, -0.0002192700000000, -0.0001054900000000 ] - [ 0.0008073400000000, 0.0002612600000000, 0.0001817100000000 ] - [ -0.0005192800000000, -0.0002071100000000, -0.0003888300000000 ] - [ -0.0002912900000000, -0.0000698700000000, 0.0009117100000000 ] - [ -0.0002715200000000, -0.0000152900000000, -0.0002357900000000 ] - [ 0.0003727600000000, -0.0000302100000000, -0.0002621400000000 ] - [ 0.0003166600000000, -0.0000787900000000, 0.0009125600000000 ] - [ 0.0005807800000000, -0.0002418700000000, -0.0004095900000000 ] - [ -0.0007608900000000, 0.0002575800000000, 0.0001789000000000 ] - [ 0.0001217300000000, -0.0003236800000000, -0.0000865400000000 ] - [ 0.0001169400000000, -0.0000392900000000, 0.0001537800000000 ] - [ -0.0000617000000000, 0.0000149000000000, 0.0001481800000000 ] - [ -0.0000974400000000, 0.0002941400000000, -0.0000892100000000 ] - [ 0.0008069300000000, -0.0002666000000000, 0.0001808500000000 ] - [ -0.0004724500000000, 0.0001335600000000, -0.0004161200000000 ] - [ -0.0001987500000000, 0.0000546500000000, 0.0009414900000000 ] - [ -0.0003539200000000, 0.0000273200000000, -0.0002579200000000 ] - [ 0.0003634400000000, 0.0000444400000000, -0.0002615600000000 ] - [ 0.0003067100000000, 0.0000703300000000, 0.0009138100000000 ] - [ 0.0005688600000000, 0.0002338200000000, -0.0004081200000000 ] - [ -0.0008071600000000, -0.0003502400000000, 0.0001627000000000 ] - [ 0.0001119900000000, 0.0003306300000000, -0.0000881900000000 ] - [ 0.0001083900000000, 0.0000374800000000, 0.0001536300000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001928600000000, -0.0009714900000000, -0.0002302700000000 ] - [ 0.0000406000000000, -0.0002076200000000, -0.0004457100000000 ] - [ -0.0003291600000000, -0.0001901100000000, -0.0003506800000000 ] - [ 0.0011993300000000, 0.0003986300000000, -0.0003622900000000 ] - [ 0.0002519200000000, 0.0001375000000000, -0.0004679300000000 ] - [ -0.0000510500000000, -0.0002231400000000, -0.0004674100000000 ] - [ 0.0002788300000000, -0.0002027000000000, -0.0004608700000000 ] - [ 0.0025320900000000, -0.0004692500000000, 0.0037674600000000 ] - [ 0.0004080400000000, 0.0006782700000000, 0.0000494200000000 ] - [ 0.0001493800000000, 0.0002736800000000, -0.0001730000000000 ] - [ 0.0000136800000000, 0.0000687700000000, 0.0003150300000000 ] - [ -0.0000957900000000, -0.0003063900000000, -0.0005838300000000 ] - [ -0.0026200800000000, 0.0002807500000000, -0.0001086800000000 ] - [ -0.0984829300000000, 0.1399600500000000, -0.0523405300000000 ] - [ -0.0004427300000000, -0.0004154100000000, 0.0003468600000000 ] - [ 0.0001301100000000, -0.0000572800000000, -0.0000376200000000 ] - [ -0.0005902400000000, 0.0008359900000000, 0.0019009700000000 ] - [ -0.0004247700000000, -0.0002459800000000, -0.0002062500000000 ] - [ -0.0007079100000000, 0.0006630000000000, -0.0016225600000000 ] - [ -0.0003285700000000, -0.0001964400000000, 0.0000903700000000 ] - [ 0.0006841400000000, -0.0002236000000000, -0.0004904700000000 ] - [ 0.0002118200000000, -0.0004067500000000, -0.0002501100000000 ] - [ -0.0000335000000000, -0.0002598100000000, 0.0004492900000000 ] - [ -0.0000222300000000, 0.0001669200000000, -0.0004844600000000 ] - [ 0.0004145600000000, 0.0000344100000000, -0.0000197600000000 ] - [ 0.0003532100000000, 0.0000910600000000, 0.0002502300000000 ] - [ -0.0002709600000000, 0.0001563700000000, 0.0002416100000000 ] - [ 0.0002506100000000, -0.0000077500000000, -0.0000445800000000 ] - [ 0.0000949800000000, 0.0001156200000000, -0.0004640400000000 ] - [ 0.0001586100000000, -0.0001138400000000, 0.0003535300000000 ] - [ -0.0001063400000000, -0.0003987400000000, -0.0002329100000000 ] - [ -0.0003261400000000, 0.0001031600000000, 0.0000506200000000 ] - [ 0.0003077300000000, -0.0002022400000000, 0.0001125800000000 ] - [ 0.0000939900000000, 0.0000754000000000, -0.0000364500000000 ] - [ 0.0083369300000000, -0.0175658300000000, 0.0058798900000000 ] - [ -0.0000566900000000, -0.0004298800000000, -0.0007662100000000 ] - [ -0.0002944100000000, -0.0000798500000000, -0.0000517300000000 ] - [ 0.0003115600000000, -0.0003121200000000, 0.0002933900000000 ] - [ -0.0004438500000000, -0.0004487600000000, 0.0003516600000000 ] - [ -0.0000985300000000, -0.0008461700000000, -0.0002420400000000 ] - [ 0.0000157500000000, -0.0003173500000000, -0.0006536200000000 ] - [ -0.0000922300000000, 0.0000415500000000, 0.0002452000000000 ] - [ -0.0001773200000000, 0.0002520200000000, -0.0001495300000000 ] - [ -0.0008393300000000, 0.0001803400000000, -0.0005010900000000 ] - [ 0.0003285700000000, 0.0001128200000000, 0.0000559300000000 ] - [ 0.0009875200000000, 0.0012201300000000, 0.0009040800000000 ] - [ -0.0000255500000000, -0.0000731600000000, 0.0003259500000000 ] - [ 0.0005608900000000, 0.0013772700000000, -0.0017496800000000 ] - [ -0.0002647300000000, 0.0000338400000000, -0.0000450900000000 ] - [ 0.0002892100000000, 0.0002194800000000, 0.0002672600000000 ] - [ -0.0003209500000000, 0.0005724600000000, 0.0003965000000000 ] - [ 0.0001692900000000, 0.0002355600000000, 0.0000164900000000 ] - [ 0.0000232500000000, 0.0002400600000000, -0.0005755700000000 ] - [ 0.0000073500000000, -0.0001616100000000, 0.0003902800000000 ] - [ -0.0001851600000000, -0.0003326200000000, -0.0001957800000000 ] - [ -0.0002431300000000, 0.0002290100000000, 0.0002071400000000 ] - [ 0.0004904900000000, -0.0000758700000000, -0.0000787100000000 ] - [ 0.0002201500000000, 0.0002504000000000, -0.0001625200000000 ] - [ 0.0000514800000000, 0.0000547800000000, 0.0002803500000000 ] - [ 0.0000127100000000, -0.0002996900000000, -0.0006434100000000 ] - [ 0.0001775400000000, 0.0000219800000000, 0.0000053000000000 ] - [ 0.0004294400000000, -0.0002297200000000, 0.0002898900000000 ] - [ -0.0002455500000000, -0.0002420600000000, 0.0002646500000000 ] - [ 0.0003340200000000, -0.0000710300000000, -0.0000541200000000 ] - [ 0.0001411800000000, -0.0001629900000000, -0.0004961100000000 ] - [ 0.0000853200000000, 0.0001774200000000, 0.0004367000000000 ] - [ -0.0000492800000000, 0.0003859700000000, -0.0002389100000000 ] - [ -0.0003124900000000, -0.0001660400000000, 0.0000946800000000 ] - [ 0.0004505100000000, 0.0002025300000000, -0.0000083100000000 ] - [ 0.0002074000000000, -0.0003676900000000, -0.0002256300000000 ] - [ 0.0000399400000000, -0.0000954600000000, 0.0003199100000000 ] - [ -0.0000167500000000, 0.0001963400000000, -0.0005225700000000 ] - [ -0.0000943300000000, 0.0001947800000000, -0.0000497000000000 ] - [ 0.0003525100000000, 0.0003447900000000, 0.0002970400000000 ] - [ -0.0002796100000000, 0.0001805500000000, 0.0002516400000000 ] - [ 0.0002300500000000, 0.0000326400000000, -0.0000481100000000 ] - [ 0.0000094800000000, 0.0003499600000000, -0.0006730200000000 ] - [ 0.0014168900000000, 0.0006341000000000, -0.0004730700000000 ] - [ -0.0001583800000000, -0.0001218700000000, -0.0000670100000000 ] - [ -0.0003642300000000, 0.0001169300000000, 0.0000306600000000 ] - [ 0.0003356800000000, -0.0001609700000000, 0.0000734100000000 ] - [ 0.0002316100000000, 0.0003700900000000, -0.0002262700000000 ] - [ 0.0000943100000000, 0.0001728600000000, 0.0003616600000000 ] - [ 0.0000007700000000, -0.0002239200000000, -0.0005448700000000 ] - [ -0.0001971200000000, -0.0000563500000000, -0.0000379100000000 ] - [ 0.0003365100000000, -0.0003134600000000, 0.0003000500000000 ] - [ -0.0002453100000000, -0.0002096200000000, 0.0002484800000000 ] - [ 0.0004776000000000, -0.0000338700000000, -0.0000697400000000 ] - [ 0.0000320100000000, -0.0003053800000000, -0.0006319600000000 ] - [ 0.0000089200000000, 0.0000856500000000, 0.0003330300000000 ] - [ -0.0001636200000000, 0.0002617600000000, -0.0001569500000000 ] - [ -0.0002201800000000, -0.0001999200000000, 0.0001765300000000 ] - [ 0.0003664800000000, 0.0001018500000000, 0.0000175900000000 ] - [ 0.0003464000000000, -0.0003805300000000, -0.0001660500000000 ] - [ 0.0000673300000000, -0.0001593100000000, 0.0003581900000000 ] - [ 0.0000739300000000, 0.0002197500000000, -0.0005994200000000 ] - [ -0.0001970400000000, -0.0000107000000000, -0.0000469100000000 ] - [ 0.0002896900000000, 0.0001385700000000, 0.0002430100000000 ] - [ -0.0000677500000000, -0.0002587300000000, 0.0000485900000000 ] - [ 0.0006326900000000, 0.0000511300000000, -0.0000833300000000 ] - [ 0.0000284600000000, 0.0001222800000000, -0.0004092100000000 ] - [ 0.0000124800000000, -0.0001775700000000, 0.0004092500000000 ] - [ -0.0002434900000000, -0.0004395100000000, -0.0002917700000000 ] - [ -0.0000990100000000, -0.0000472300000000, 0.0000571600000000 ] - [ -0.0036110700000000, 0.0019100800000000, 0.0001511100000000 ] - [ 0.0002826400000000, -0.0011878000000000, -0.0001873700000000 ] - [ 0.0076040400000000, -0.0069583700000000, -0.0016793600000000 ] - [ 0.0006135500000000, 0.0001880200000000, -0.0000806000000000 ] - [ -0.0004929200000000, -0.0011488800000000, -0.0001805700000000 ] - [ -0.0020506100000000, 0.0005462600000000, 0.0010459600000000 ] - [ -0.0005129500000000, 0.0003433300000000, -0.0001027200000000 ] - [ 0.0007161900000000, 0.0013097500000000, -0.0002101400000000 ] - [ 0.0006824500000000, -0.0004949200000000, -0.0002209800000000 ] - [ 0.0005604400000000, -0.0007933800000000, -0.0001412300000000 ] - [ 0.0003541200000000, 0.0013201600000000, -0.0001586900000000 ] - [ 0.0001863600000000, 0.0005505800000000, -0.0001495300000000 ] - [ -0.0003700500000000, -0.0007988000000000, -0.0001490200000000 ] - [ 0.0013191600000000, -0.0008333300000000, -0.0000699900000000 ] - [ -0.0002923700000000, 0.0003260000000000, -0.0001097400000000 ] - [ 0.0008391900000000, -0.0009712800000000, -0.0001826700000000 ] - [ 0.0000097400000000, 0.0000102900000000, 0.0001189300000000 ] - [ -0.0000907300000000, -0.0002020400000000, -0.0000935700000000 ] - [ 0.0019086200000000, -0.0016949800000000, -0.0012298200000000 ] - [ -0.0003513600000000, -0.0000808400000000, -0.0004004100000000 ] - [ 0.0000021900000000, -0.0001788200000000, 0.0009007100000000 ] - [ -0.0003498900000000, 0.0000693700000000, -0.0002456700000000 ] - [ 0.0008586700000000, 0.0002730200000000, 0.0000187000000000 ] - [ 0.0014897600000000, -0.0012452200000000, -0.0001807300000000 ] - [ 0.0011062100000000, 0.0070582800000000, -0.0051465800000000 ] - [ -0.0006971100000000, 0.0004341700000000, 0.0001918100000000 ] - [ 0.0002767500000000, 0.0016359300000000, 0.0003476400000000 ] - [ 0.0002431700000000, 0.0011876700000000, 0.0018143000000000 ] - [ -0.0001235900000000, 0.0001902800000000, 0.0002140300000000 ] - [ 0.0000168500000000, 0.0007627500000000, -0.0000842300000000 ] - [ -0.0000981400000000, 0.0004257300000000, 0.0002490500000000 ] - [ -0.0006274500000000, 0.0004270400000000, -0.0004592200000000 ] - [ -0.0002906900000000, 0.0002709900000000, 0.0008854400000000 ] - [ -0.0003974100000000, 0.0003175200000000, -0.0003314600000000 ] - [ 0.0000322300000000, -0.0002365000000000, -0.0004115200000000 ] - [ 0.0001074300000000, 0.0004249000000000, 0.0008637200000000 ] - [ -0.0002267000000000, 0.0004607500000000, -0.0002107400000000 ] - [ -0.0008320600000000, -0.0001582800000000, 0.0001837700000000 ] - [ -0.0003366700000000, 0.0003306600000000, -0.0000635900000000 ] - [ -0.0003866000000000, 0.0000833700000000, 0.0001640900000000 ] - [ -0.0001880500000000, 0.0005224700000000, 0.0001686000000000 ] - [ -0.0009786000000000, 0.0012126200000000, 0.0003779000000000 ] - [ 0.0008561700000000, 0.0003897700000000, 0.0002006400000000 ] - [ 0.0000696300000000, 0.0003008300000000, -0.0001366700000000 ] - [ -0.0001928200000000, 0.0002615500000000, 0.0009335300000000 ] - [ 0.0843378200000000, -0.1261746700000000, 0.0469745200000000 ] - [ 0.0005471800000000, 0.0001726600000000, -0.0002515500000000 ] - [ 0.0003426200000000, 0.0000954600000000, 0.0009346900000000 ] - [ 0.0005938500000000, -0.0000929800000000, -0.0003966700000000 ] - [ 0.0002371100000000, 0.0009879800000000, 0.0003024100000000 ] - [ 0.0002291600000000, -0.0001528700000000, -0.0000749400000000 ] - [ 0.0001292000000000, 0.0000584800000000, 0.0001193100000000 ] - [ 0.0006271100000000, -0.0008985000000000, -0.0004711500000000 ] - [ 0.0001551200000000, -0.0000591600000000, -0.0002746200000000 ] - [ 0.0008502700000000, -0.0002037100000000, 0.0001914500000000 ] - [ 0.0000010000000000, -0.0007573900000000, 0.0001194900000000 ] - [ -0.0024051600000000, -0.0011083400000000, 0.0008583300000000 ] - [ -0.0002757500000000, 0.0000215400000000, -0.0002246300000000 ] - [ 0.0003422800000000, 0.0001535700000000, -0.0002681400000000 ] - [ 0.0003393900000000, 0.0000466000000000, 0.0009068900000000 ] - [ 0.0005910200000000, 0.0002718600000000, -0.0004131200000000 ] - [ -0.0009359100000000, -0.0006239200000000, 0.0001234800000000 ] - [ 0.0000736100000000, 0.0004522000000000, -0.0000942100000000 ] - [ 0.0001151200000000, 0.0000733000000000, 0.0001618600000000 ] - [ -0.0001758300000000, 0.0000713500000000, 0.0001303100000000 ] - [ -0.0002177900000000, -0.0001330500000000, -0.0000890500000000 ] - [ 0.0003515500000000, 0.0001536700000000, 0.0001503800000000 ] - [ -0.0006709500000000, -0.0001303500000000, -0.0003968100000000 ] - [ -0.0004891500000000, 0.0000846000000000, 0.0009443000000000 ] - [ -0.0004210700000000, 0.0000622300000000, -0.0002333500000000 ] - [ 0.0001899800000000, -0.0000668000000000, -0.0003020300000000 ] - [ -0.0000928000000000, -0.0003092400000000, 0.0009152500000000 ] - [ 0.0000571300000000, -0.0003911500000000, -0.0003382800000000 ] - [ -0.0009018200000000, 0.0003023200000000, 0.0001968200000000 ] - [ -0.0001364000000000, -0.0005810500000000, -0.0001155000000000 ] - [ -0.0002539500000000, -0.0001926900000000, 0.0001990900000000 ] - [ -0.0001407900000000, 0.0000848400000000, 0.0001527800000000 ] - [ -0.0001530900000000, 0.0003376100000000, -0.0000761000000000 ] - [ 0.0005947900000000, -0.0004675100000000, 0.0001984100000000 ] - [ -0.0006003300000000, 0.0003188200000000, -0.0004210600000000 ] - [ -0.0003035800000000, 0.0002084400000000, 0.0008978700000000 ] - [ -0.0004285900000000, -0.0000549800000000, -0.0002597000000000 ] - [ -0.0010709400000000, 0.0003031300000000, -0.0000517900000000 ] - [ 0.0002930600000000, -0.0001327700000000, 0.0008964700000000 ] - [ 0.0009329200000000, -0.0003331200000000, -0.0003351800000000 ] - [ -0.0007700000000000, -0.0002080800000000, 0.0001964400000000 ] - [ 0.0003154700000000, -0.0018641900000000, 0.0008600000000000 ] - [ 0.0001622900000000, -0.0006767200000000, 0.0001276500000000 ] - [ -0.0003039500000000, -0.0001736600000000, 0.0001649000000000 ] - [ -0.0002516000000000, -0.0006867900000000, -0.0000142200000000 ] - [ 0.0007709500000000, 0.0003274000000000, 0.0001879300000000 ] - [ -0.0009143300000000, -0.0003280300000000, -0.0005182100000000 ] - [ -0.0003896600000000, -0.0000902100000000, 0.0009079100000000 ] - [ -0.0006704700000000, -0.0001623400000000, -0.0003326100000000 ] - [ 0.0002722100000000, -0.0000166400000000, -0.0002238800000000 ] - [ 0.0002704300000000, 0.0000164000000000, 0.0009211900000000 ] - [ 0.0004601500000000, -0.0001083600000000, -0.0003736800000000 ] - [ -0.0010749900000000, 0.0003367300000000, 0.0002037100000000 ] - [ 0.0000953600000000, -0.0001797700000000, -0.0001079200000000 ] - [ 0.0000426400000000, 0.0000463400000000, 0.0001271800000000 ] - [ -0.0005143800000000, 0.0000965200000000, 0.0001757200000000 ] - [ -0.0003056400000000, 0.0004855900000000, -0.0000911500000000 ] - [ 0.0007363800000000, -0.0001571300000000, 0.0001897100000000 ] - [ -0.0011883900000000, 0.0005260600000000, -0.0004122500000000 ] - [ -0.0007678300000000, -0.0001070300000000, 0.0008416800000000 ] - [ -0.0004683300000000, 0.0002020100000000, -0.0002588500000000 ] - [ 0.0003470400000000, 0.0001466900000000, -0.0002894600000000 ] - [ 0.0002022300000000, 0.0005218500000000, 0.0008749300000000 ] - [ 0.0006055700000000, 0.0004533300000000, -0.0004706300000000 ] - [ -0.0013212200000000, -0.0000744300000000, 0.0003597000000000 ] - [ 0.0000554600000000, 0.0005740600000000, -0.0000816700000000 ] - [ 0.0001428000000000, 0.0001974500000000, 0.0001933200000000 ]- atom: 14 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001945600000000, 0.0009690700000000, -0.0006769800000000 ] - [ -0.0000402000000000, 0.0002056200000000, -0.0004626000000000 ] - [ 0.0003251600000000, 0.0001868800000000, -0.0005572400000000 ] - [ -0.0011924900000000, -0.0003960500000000, -0.0005434000000000 ] - [ -0.0002539700000000, -0.0001398900000000, -0.0004401300000000 ] - [ 0.0000502600000000, 0.0002186700000000, -0.0004411300000000 ] - [ -0.0002750500000000, 0.0002024400000000, -0.0004458700000000 ] - [ -0.0025033200000000, 0.0005169900000000, -0.0046921400000000 ] - [ 0.0002654500000000, -0.0009678000000000, 0.0000750500000000 ] - [ 0.0002299900000000, 0.0003684400000000, -0.0002168300000000 ] - [ 0.0000125800000000, 0.0001584300000000, 0.0003760900000000 ] - [ 0.0000517600000000, -0.0001880300000000, -0.0005638400000000 ] - [ 0.0021419300000000, -0.0003448200000000, 0.0000280300000000 ] - [ 0.0974991900000000, -0.1440837500000000, 0.0545496400000000 ] - [ -0.0001577800000000, -0.0000657200000000, 0.0001969400000000 ] - [ 0.0003484300000000, -0.0000227900000000, -0.0000513800000000 ] - [ 0.0006246500000000, -0.0013036000000000, -0.0030384800000000 ] - [ 0.0003981400000000, 0.0004733200000000, 0.0008964100000000 ] - [ 0.0003069600000000, -0.0000073000000000, 0.0012367700000000 ] - [ -0.0003410700000000, -0.0000914500000000, 0.0000399700000000 ] - [ -0.0000122600000000, 0.0005108300000000, 0.0006184500000000 ] - [ 0.0001680100000000, -0.0002372600000000, -0.0001410300000000 ] - [ 0.0000602100000000, 0.0000315100000000, 0.0002420000000000 ] - [ -0.0000215200000000, 0.0003262800000000, -0.0006616900000000 ] - [ -0.0008928300000000, 0.0000447600000000, -0.0000689200000000 ] - [ 0.0002473600000000, 0.0003889800000000, 0.0002934200000000 ] - [ -0.0003294900000000, 0.0003242100000000, 0.0003024600000000 ] - [ 0.0002276000000000, 0.0000870400000000, -0.0000443700000000 ] - [ -0.0000510000000000, 0.0003773100000000, -0.0006818600000000 ] - [ -0.0001856800000000, -0.0001132900000000, 0.0003358300000000 ] - [ -0.0002734800000000, -0.0002452400000000, -0.0001582100000000 ] - [ -0.0003435500000000, 0.0001841200000000, 0.0000794700000000 ] - [ 0.0003617000000000, -0.0000859600000000, 0.0000180600000000 ] - [ 0.0002841300000000, 0.0005643600000000, -0.0003517000000000 ] - [ -0.0081588400000000, 0.0181862400000000, -0.0051303200000000 ] - [ 0.0000124300000000, -0.0000657300000000, -0.0003817900000000 ] - [ -0.0001846800000000, -0.0000002700000000, -0.0000373300000000 ] - [ 0.0002892600000000, -0.0001700200000000, 0.0002510500000000 ] - [ -0.0001585600000000, -0.0000349100000000, 0.0001930600000000 ] - [ 0.0005698900000000, 0.0007611700000000, 0.0001521500000000 ] - [ 0.0000280500000000, -0.0001775200000000, -0.0004942200000000 ] - [ 0.0000649800000000, 0.0001853900000000, 0.0004451500000000 ] - [ -0.0002020500000000, 0.0003900900000000, -0.0002403400000000 ] - [ 0.0001661100000000, -0.0004670400000000, 0.0006294200000000 ] - [ 0.0003413200000000, 0.0001739900000000, 0.0000736500000000 ] - [ -0.0006049000000000, -0.0018456500000000, -0.0012819800000000 ] - [ 0.0000512700000000, -0.0001549900000000, 0.0003655900000000 ] - [ -0.0006012600000000, -0.0008720200000000, 0.0005907200000000 ] - [ -0.0002141700000000, 0.0000455200000000, -0.0000438900000000 ] - [ 0.0003104000000000, 0.0002596600000000, 0.0002758000000000 ] - [ -0.0002810400000000, -0.0000899500000000, 0.0001480600000000 ] - [ 0.0003060300000000, -0.0001544000000000, -0.0001042400000000 ] - [ 0.0000205900000000, 0.0002532100000000, -0.0005708200000000 ] - [ -0.0000329700000000, -0.0000671800000000, 0.0003025300000000 ] - [ -0.0001944000000000, -0.0003107500000000, -0.0001948300000000 ] - [ -0.0004270000000000, 0.0000581900000000, -0.0000775100000000 ] - [ 0.0001798500000000, -0.0002109800000000, 0.0002076300000000 ] - [ 0.0001599600000000, 0.0003928800000000, -0.0002283700000000 ] - [ -0.0000251000000000, 0.0001729200000000, 0.0004112900000000 ] - [ -0.0000564500000000, -0.0001938200000000, -0.0005026800000000 ] - [ -0.0006576900000000, -0.0001013300000000, -0.0000948000000000 ] - [ 0.0001703600000000, -0.0002485200000000, 0.0002529700000000 ] - [ -0.0003551200000000, -0.0002391000000000, 0.0002791600000000 ] - [ 0.0001441600000000, -0.0000089000000000, -0.0000348700000000 ] - [ -0.0000981100000000, -0.0003286200000000, -0.0006480400000000 ] - [ -0.0001122700000000, 0.0000499900000000, 0.0002541500000000 ] - [ -0.0003321800000000, 0.0002595100000000, -0.0001530800000000 ] - [ -0.0003571500000000, -0.0001221500000000, 0.0000359200000000 ] - [ 0.0002185600000000, 0.0000845200000000, 0.0001386100000000 ] - [ 0.0001718700000000, -0.0002758700000000, -0.0001648800000000 ] - [ -0.0000139800000000, -0.0001334300000000, 0.0003722900000000 ] - [ -0.0000272100000000, 0.0002969200000000, -0.0006240100000000 ] - [ -0.0003864100000000, -0.0001161800000000, -0.0000397300000000 ] - [ 0.0002468900000000, 0.0001337000000000, 0.0002457400000000 ] - [ -0.0003212600000000, 0.0003002800000000, 0.0002925500000000 ] - [ 0.0002475800000000, 0.0000463300000000, -0.0000407800000000 ] - [ 0.0000342000000000, 0.0001416100000000, -0.0004706700000000 ] - [ -0.0014655500000000, -0.0008712700000000, 0.0011742000000000 ] - [ -0.0002222500000000, -0.0005233200000000, -0.0003254200000000 ] - [ -0.0003060800000000, 0.0001697000000000, 0.0000986500000000 ] - [ 0.0003342700000000, -0.0001267000000000, 0.0000568400000000 ] - [ 0.0001482000000000, 0.0002735900000000, -0.0001645700000000 ] - [ -0.0000675000000000, 0.0000556300000000, 0.0003295900000000 ] - [ -0.0000445300000000, -0.0002695400000000, -0.0006016100000000 ] - [ -0.0002802400000000, -0.0000233700000000, -0.0000507500000000 ] - [ 0.0002648900000000, -0.0001688700000000, 0.0002446600000000 ] - [ -0.0003547100000000, -0.0002706700000000, 0.0002952000000000 ] - [ 0.0000026100000000, -0.0000454400000000, -0.0000196200000000 ] - [ 0.0000121600000000, -0.0001898400000000, -0.0005167500000000 ] - [ -0.0000350000000000, 0.0001421000000000, 0.0003581300000000 ] - [ -0.0002150000000000, 0.0003799500000000, -0.0002323200000000 ] - [ -0.0004490400000000, -0.0000868000000000, -0.0000468000000000 ] - [ 0.0003039100000000, 0.0001849600000000, 0.0001115400000000 ] - [ 0.0000333300000000, -0.0002600300000000, -0.0002247000000000 ] - [ -0.0000391700000000, -0.0000683700000000, 0.0003320900000000 ] - [ -0.0001171900000000, 0.0002766100000000, -0.0005478500000000 ] - [ -0.0002808900000000, 0.0000896200000000, -0.0000421500000000 ] - [ 0.0003108900000000, 0.0003408100000000, 0.0003004900000000 ] - [ -0.0005340900000000, 0.0007507200000000, 0.0004987300000000 ] - [ -0.0001445100000000, 0.0000325900000000, -0.0000091100000000 ] - [ 0.0000156900000000, 0.0003694400000000, -0.0007351700000000 ] - [ -0.0000379400000000, -0.0000518800000000, 0.0002842300000000 ] - [ -0.0001369700000000, -0.0002054700000000, -0.0001002400000000 ] - [ -0.0005633400000000, 0.0003234000000000, 0.0000736600000000 ] - [ 0.0027624200000000, -0.0032152200000000, -0.0004126400000000 ] - [ 0.0005634000000000, -0.0001047200000000, -0.0000798500000000 ] - [ -0.0083932200000000, 0.0081679800000000, 0.0014104700000000 ] - [ 0.0002324200000000, 0.0010954400000000, -0.0001866900000000 ] - [ -0.0003530800000000, -0.0001454000000000, -0.0000871600000000 ] - [ 0.0028716700000000, -0.0018375000000000, -0.0013161400000000 ] - [ -0.0003333500000000, 0.0009394900000000, -0.0001635600000000 ] - [ 0.0001273800000000, -0.0000171600000000, -0.0000579000000000 ] - [ -0.0015272200000000, -0.0007933900000000, -0.0000459300000000 ] - [ 0.0002851000000000, -0.0004989000000000, -0.0001264500000000 ] - [ -0.0012039500000000, -0.0000288600000000, -0.0001088100000000 ] - [ 0.0006571000000000, 0.0007305900000000, -0.0001177400000000 ] - [ -0.0004735900000000, -0.0004897300000000, -0.0001185300000000 ] - [ -0.0004704900000000, -0.0004475800000000, -0.0001991700000000 ] - [ -0.0005517300000000, 0.0009574600000000, -0.0001566300000000 ] - [ 0.0000133300000000, 0.0022453800000000, -0.0000931200000000 ] - [ -0.0002234200000000, -0.0000863400000000, 0.0001757300000000 ] - [ -0.0001369200000000, -0.0004610500000000, -0.0000876400000000 ] - [ -0.0003095000000000, 0.0022263200000000, 0.0016134500000000 ] - [ -0.0007810400000000, -0.0003791900000000, -0.0004189100000000 ] - [ -0.0006038200000000, -0.0000038400000000, 0.0009204700000000 ] - [ -0.0003849800000000, -0.0001506900000000, -0.0002709700000000 ] - [ -0.0001253400000000, -0.0003537800000000, -0.0005335800000000 ] - [ -0.0008796600000000, 0.0010445000000000, 0.0019861100000000 ] - [ 0.0000944400000000, -0.0074259200000000, 0.0042475800000000 ] - [ -0.0009119600000000, 0.0001039500000000, 0.0001908200000000 ] - [ -0.0000491000000000, -0.0023023400000000, -0.0005280100000000 ] - [ -0.0000244600000000, -0.0012675600000000, -0.0015131000000000 ] - [ -0.0000908500000000, -0.0001111400000000, 0.0000818500000000 ] - [ -0.0002448900000000, -0.0000984000000000, -0.0000951700000000 ] - [ 0.0017068000000000, -0.0009625800000000, 0.0001352400000000 ] - [ -0.0005010000000000, 0.0000344300000000, -0.0003585900000000 ] - [ -0.0003103600000000, -0.0000822700000000, 0.0009349200000000 ] - [ -0.0003373700000000, -0.0002356800000000, -0.0001858700000000 ] - [ 0.0007018700000000, 0.0003155500000000, -0.0001067200000000 ] - [ 0.0004920600000000, -0.0002374900000000, 0.0009568100000000 ] - [ 0.0013559600000000, -0.0000003000000000, -0.0006072400000000 ] - [ -0.0007763500000000, -0.0003781500000000, 0.0001981400000000 ] - [ 0.0005649200000000, 0.0003319800000000, -0.0001157500000000 ] - [ 0.0006001500000000, -0.0000054600000000, 0.0001322100000000 ] - [ -0.0000280400000000, -0.0005863500000000, 0.0001310500000000 ] - [ 0.0007377700000000, -0.0018805500000000, -0.0005428200000000 ] - [ 0.0007531300000000, 0.0001493800000000, 0.0001820600000000 ] - [ -0.0011962600000000, -0.0007582400000000, -0.0006799000000000 ] - [ -0.0004066500000000, -0.0004423000000000, 0.0008867700000000 ] - [ -0.0837363400000000, 0.1292713600000000, -0.0491370500000000 ] - [ 0.0001890600000000, -0.0002512700000000, -0.0002672700000000 ] - [ 0.0002580600000000, -0.0002799100000000, 0.0008859900000000 ] - [ 0.0005352500000000, -0.0003657000000000, -0.0004214400000000 ] - [ -0.0018409700000000, -0.0004541700000000, 0.0000807200000000 ] - [ 0.0000001000000000, -0.0005078100000000, -0.0001046400000000 ] - [ 0.0000847000000000, -0.0001346100000000, 0.0001753000000000 ] - [ -0.0008298600000000, 0.0009740200000000, 0.0007650900000000 ] - [ -0.0003788200000000, 0.0007256000000000, 0.0000945800000000 ] - [ 0.0007595000000000, -0.0003320400000000, 0.0001909700000000 ] - [ -0.0011233600000000, 0.0012112900000000, -0.0009310000000000 ] - [ 0.0017822600000000, 0.0012841600000000, 0.0009617900000000 ] - [ -0.0004573900000000, 0.0000631000000000, -0.0002901900000000 ] - [ 0.0003921100000000, -0.0000697500000000, -0.0002488000000000 ] - [ 0.0002614000000000, 0.0001387200000000, 0.0009138400000000 ] - [ 0.0005415300000000, 0.0001905500000000, -0.0004070200000000 ] - [ -0.0006723600000000, 0.0000859200000000, 0.0002585300000000 ] - [ 0.0001528400000000, 0.0002163200000000, -0.0000867400000000 ] - [ 0.0000991900000000, 0.0000050600000000, 0.0001333000000000 ] - [ -0.0000377300000000, -0.0001483000000000, 0.0001646900000000 ] - [ -0.0000096700000000, -0.0005315300000000, -0.0000921000000000 ] - [ 0.0012585200000000, 0.0003815700000000, 0.0002324400000000 ] - [ -0.0004617800000000, -0.0003311900000000, -0.0004232400000000 ] - [ -0.0001121900000000, -0.0002699100000000, 0.0008763900000000 ] - [ -0.0003128500000000, -0.0001425800000000, -0.0002846100000000 ] - [ 0.0005441200000000, -0.0000136500000000, -0.0002159400000000 ] - [ 0.0006943600000000, 0.0001180800000000, 0.0009048500000000 ] - [ 0.0010765700000000, -0.0000724200000000, -0.0004815700000000 ] - [ -0.0007065000000000, 0.0002359500000000, 0.0001846600000000 ] - [ 0.0003653300000000, -0.0000837400000000, -0.0000644800000000 ] - [ 0.0004695900000000, 0.0001141400000000, 0.0000964900000000 ] - [ -0.0000724400000000, -0.0000060900000000, 0.0001424500000000 ] - [ -0.0000728600000000, 0.0003286900000000, -0.0001042800000000 ] - [ 0.0010162100000000, -0.0000677300000000, 0.0001840300000000 ] - [ -0.0005286000000000, 0.0001428100000000, -0.0003973200000000 ] - [ -0.0002959400000000, -0.0000221500000000, 0.0009226300000000 ] - [ -0.0003037900000000, 0.0001387800000000, -0.0002563500000000 ] - [ 0.0018327400000000, -0.0002278500000000, -0.0004625800000000 ] - [ 0.0003084400000000, 0.0003220900000000, 0.0009234200000000 ] - [ 0.0002041200000000, 0.0007980200000000, -0.0004851700000000 ] - [ -0.0008383300000000, -0.0003273500000000, 0.0001863300000000 ] - [ -0.0000853800000000, 0.0025375600000000, -0.0010567000000000 ] - [ 0.0000517500000000, 0.0007563100000000, 0.0001701100000000 ] - [ 0.0000895900000000, 0.0000952900000000, 0.0001313700000000 ] - [ 0.0000233300000000, 0.0000222400000000, -0.0001653900000000 ] - [ 0.0008371300000000, 0.0002104300000000, 0.0001948600000000 ] - [ -0.0002170500000000, -0.0001338500000000, -0.0003008600000000 ] - [ -0.0002108600000000, -0.0000954200000000, 0.0009133600000000 ] - [ -0.0000635600000000, 0.0000785500000000, -0.0001850400000000 ] - [ 0.0004611900000000, -0.0000643900000000, -0.0002929500000000 ] - [ 0.0003284600000000, -0.0001988300000000, 0.0009002900000000 ] - [ 0.0006673100000000, -0.0003498900000000, -0.0004437800000000 ] - [ -0.0005354900000000, 0.0001986300000000, 0.0001791900000000 ] - [ 0.0001327200000000, -0.0004826000000000, -0.0000729200000000 ] - [ 0.0001699700000000, -0.0001233000000000, 0.0001681300000000 ] - [ 0.0002943600000000, -0.0000215700000000, 0.0001216200000000 ] - [ 0.0000755300000000, 0.0001774100000000, -0.0000890000000000 ] - [ 0.0008714200000000, -0.0003781500000000, 0.0001918300000000 ] - [ 0.0000550400000000, -0.0000716400000000, -0.0004084600000000 ] - [ 0.0001659000000000, 0.0002859100000000, 0.0009805700000000 ] - [ -0.0002682600000000, -0.0001182100000000, -0.0002580800000000 ] - [ 0.0003873700000000, -0.0000639900000000, -0.0002308200000000 ] - [ 0.0003961800000000, -0.0003303200000000, 0.0009456700000000 ] - [ 0.0005257900000000, 0.0000108000000000, -0.0003488100000000 ] - [ -0.0003080900000000, -0.0004574100000000, 0.0000163200000000 ] - [ 0.0001708200000000, 0.0000964800000000, -0.0000981900000000 ] - [ 0.0000719500000000, -0.0001175300000000, 0.0001018500000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001351800000000, 0.0015115000000000, -0.0006900200000000 ] - [ -0.0000231700000000, 0.0005852000000000, -0.0004587400000000 ] - [ 0.0003911100000000, 0.0008606100000000, -0.0005328800000000 ] - [ -0.0001564300000000, -0.0012777100000000, -0.0004507600000000 ] - [ 0.0000677100000000, 0.0000686300000000, -0.0003780600000000 ] - [ 0.0000541900000000, 0.0006982000000000, -0.0004534800000000 ] - [ -0.0003553800000000, 0.0003970700000000, -0.0004968300000000 ] - [ -0.0014826600000000, -0.0046240800000000, -0.0035662100000000 ] - [ 0.0008503800000000, 0.0003311200000000, 0.0001362100000000 ] - [ 0.0003108400000000, 0.0005630200000000, -0.0003541700000000 ] - [ -0.0000435600000000, 0.0002875000000000, 0.0005027000000000 ] - [ 0.0000417100000000, 0.0000240400000000, -0.0003370100000000 ] - [ 0.0006821500000000, 0.0005660300000000, 0.0010917700000000 ] - [ 0.1478299700000000, -0.2731713100000000, 0.1066898500000000 ] - [ -0.0000971400000000, 0.0001485200000000, 0.0001274500000000 ] - [ 0.0003019000000000, 0.0000626400000000, -0.0000530500000000 ] - [ 0.0005604500000000, -0.0042038000000000, -0.0035195700000000 ] - [ 0.0003499400000000, 0.0006216200000000, 0.0009830500000000 ] - [ 0.0006148300000000, -0.0021125900000000, 0.0001582100000000 ] - [ -0.0003890700000000, -0.0000045400000000, -0.0000404500000000 ] - [ -0.0001534100000000, 0.0005774000000000, 0.0005144900000000 ] - [ 0.0001190600000000, -0.0001007400000000, -0.0000519800000000 ] - [ 0.0000525000000000, 0.0001254800000000, 0.0001733300000000 ] - [ -0.0000309100000000, 0.0004577500000000, -0.0008067700000000 ] - [ -0.0013300200000000, -0.0000959200000000, -0.0000395600000000 ] - [ 0.0001969700000000, 0.0004241100000000, 0.0002899300000000 ] - [ -0.0003855700000000, 0.0004710700000000, 0.0003549100000000 ] - [ 0.0001882200000000, 0.0001360000000000, -0.0000374500000000 ] - [ -0.0000830200000000, 0.0004167200000000, -0.0007166300000000 ] - [ -0.0000207800000000, -0.0004575500000000, 0.0006069800000000 ] - [ -0.0003354700000000, -0.0002704600000000, -0.0001799000000000 ] - [ -0.0003350200000000, 0.0002328900000000, 0.0001108500000000 ] - [ 0.0003791700000000, -0.0000103900000000, -0.0000317700000000 ] - [ 0.0002887800000000, 0.0007178200000000, -0.0004521900000000 ] - [ -0.0119301100000000, 0.0183480000000000, -0.0057772200000000 ] - [ -0.0000025500000000, 0.0000910700000000, -0.0002195700000000 ] - [ -0.0001849100000000, 0.0000642200000000, -0.0000388900000000 ] - [ 0.0002316600000000, -0.0000125800000000, 0.0001952200000000 ] - [ -0.0001292000000000, 0.0001481300000000, 0.0001442800000000 ] - [ 0.0002901000000000, 0.0005160200000000, 0.0000041600000000 ] - [ 0.0000208900000000, -0.0000390600000000, -0.0003489000000000 ] - [ 0.0001199900000000, 0.0003266300000000, 0.0005751900000000 ] - [ -0.0002460000000000, 0.0005283700000000, -0.0003311700000000 ] - [ 0.0001678400000000, 0.0004467700000000, 0.0004427100000000 ] - [ 0.0003142300000000, 0.0002565100000000, 0.0001319100000000 ] - [ 0.0016431400000000, -0.0009399400000000, 0.0000031200000000 ] - [ 0.0001775100000000, 0.0000789300000000, 0.0001759300000000 ] - [ 0.0008695200000000, -0.0002080300000000, -0.0001490300000000 ] - [ -0.0001873000000000, 0.0000984500000000, -0.0000420000000000 ] - [ 0.0004026400000000, 0.0004458500000000, 0.0003504600000000 ] - [ 0.0000275700000000, -0.0005286400000000, 0.0000187500000000 ] - [ 0.0009470300000000, -0.0000293900000000, -0.0001967300000000 ] - [ 0.0000425600000000, 0.0003865800000000, -0.0006939100000000 ] - [ -0.0000698900000000, 0.0000324000000000, 0.0002090000000000 ] - [ -0.0001397100000000, -0.0001876700000000, -0.0001160600000000 ] - [ -0.0002952300000000, 0.0001328200000000, 0.0000783200000000 ] - [ 0.0001233900000000, -0.0003194000000000, 0.0002965700000000 ] - [ 0.0001526900000000, 0.0004556200000000, -0.0002517600000000 ] - [ -0.0000572200000000, 0.0002617900000000, 0.0004934800000000 ] - [ -0.0000605900000000, -0.0001429000000000, -0.0004673900000000 ] - [ -0.0004934300000000, -0.0001423400000000, -0.0000636500000000 ] - [ 0.0003119100000000, -0.0005574800000000, 0.0003675400000000 ] - [ -0.0003322400000000, -0.0001779500000000, 0.0002546800000000 ] - [ 0.0001591300000000, 0.0000158900000000, -0.0000352200000000 ] - [ -0.0000529400000000, -0.0005710200000000, -0.0008941900000000 ] - [ -0.0000555800000000, 0.0000635800000000, 0.0002746200000000 ] - [ -0.0002053900000000, 0.0000104800000000, -0.0000065200000000 ] - [ -0.0003564300000000, -0.0000654400000000, 0.0000107800000000 ] - [ 0.0003660000000000, -0.0000478800000000, -0.0000247100000000 ] - [ 0.0001449400000000, -0.0001576600000000, -0.0000898100000000 ] - [ 0.0000819100000000, -0.0000161500000000, 0.0002288400000000 ] - [ -0.0000264100000000, 0.0004204200000000, -0.0007513100000000 ] - [ 0.0003422400000000, -0.0001471500000000, 0.0000710800000000 ] - [ 0.0004505200000000, 0.0004256800000000, 0.0003591000000000 ] - [ -0.0003618400000000, 0.0004417600000000, 0.0003380900000000 ] - [ 0.0003055600000000, 0.0001073900000000, -0.0000494200000000 ] - [ 0.0001015800000000, 0.0003825600000000, -0.0007272500000000 ] - [ 0.0003100600000000, -0.0012937300000000, 0.0012753700000000 ] - [ -0.0000360800000000, -0.0001416100000000, -0.0000584300000000 ] - [ -0.0002634100000000, 0.0002680500000000, 0.0001763000000000 ] - [ 0.0003659700000000, -0.0000587700000000, 0.0000000200000000 ] - [ 0.0002077400000000, 0.0003635200000000, -0.0002237900000000 ] - [ 0.0000592200000000, -0.0001101800000000, 0.0001601100000000 ] - [ -0.0000167200000000, -0.0001894800000000, -0.0005148200000000 ] - [ -0.0002552000000000, 0.0000212900000000, -0.0000515200000000 ] - [ 0.0002306100000000, -0.0000483900000000, 0.0002038000000000 ] - [ -0.0003000900000000, -0.0001777700000000, 0.0002560700000000 ] - [ 0.0001523500000000, -0.0000623300000000, -0.0000474000000000 ] - [ 0.0000117100000000, -0.0000780200000000, -0.0003983000000000 ] - [ -0.0000028000000000, 0.0002173100000000, 0.0004372800000000 ] - [ -0.0002432000000000, 0.0004919300000000, -0.0003039200000000 ] - [ -0.0004454300000000, -0.0001383000000000, -0.0000224700000000 ] - [ 0.0002800700000000, 0.0002491200000000, 0.0001618000000000 ] - [ 0.0000834300000000, -0.0005060500000000, -0.0003386900000000 ] - [ -0.0000884800000000, -0.0000557500000000, 0.0003591800000000 ] - [ -0.0001169400000000, -0.0000167800000000, -0.0003454900000000 ] - [ -0.0003211800000000, 0.0001465600000000, -0.0000446800000000 ] - [ 0.0003218900000000, 0.0004450900000000, 0.0003327800000000 ] - [ -0.0008019100000000, -0.0000057500000000, 0.0003439400000000 ] - [ -0.0005865300000000, -0.0001268300000000, 0.0000598000000000 ] - [ 0.0000025200000000, 0.0004865000000000, -0.0008884500000000 ] - [ -0.0000845000000000, 0.0000607800000000, 0.0001765300000000 ] - [ -0.0001125800000000, -0.0000737600000000, -0.0000141100000000 ] - [ -0.0006053900000000, 0.0007547700000000, 0.0000271400000000 ] - [ 0.0038850700000000, 0.0000971000000000, -0.0012663700000000 ] - [ 0.0004149700000000, 0.0006038100000000, -0.0000199100000000 ] - [ -0.0120263800000000, 0.0057447300000000, 0.0057887900000000 ] - [ 0.0001689600000000, 0.0015295800000000, -0.0002244200000000 ] - [ -0.0004073500000000, 0.0005542700000000, -0.0000165200000000 ] - [ 0.0020217400000000, -0.0004676700000000, -0.0003273000000000 ] - [ -0.0003380700000000, 0.0016527200000000, -0.0002225000000000 ] - [ 0.0009328600000000, 0.0003678400000000, -0.0000644600000000 ] - [ -0.0018289400000000, -0.0017657300000000, 0.0000108700000000 ] - [ 0.0003551400000000, 0.0000199800000000, -0.0000780100000000 ] - [ -0.0002319000000000, -0.0009232500000000, -0.0001073700000000 ] - [ 0.0007651600000000, 0.0015780900000000, -0.0001852100000000 ] - [ -0.0003466700000000, 0.0000538800000000, -0.0000786600000000 ] - [ -0.0003698000000000, -0.0009548800000000, -0.0001627800000000 ] - [ -0.0006015800000000, 0.0014928800000000, -0.0001997100000000 ] - [ -0.0005247700000000, 0.0033640400000000, -0.0003693600000000 ] - [ -0.0002921400000000, -0.0003491300000000, 0.0002585000000000 ] - [ -0.0000247100000000, -0.0008938700000000, -0.0000785700000000 ] - [ -0.0005587200000000, 0.0008153100000000, -0.0007519800000000 ] - [ -0.0008854600000000, -0.0007766900000000, -0.0005016300000000 ] - [ -0.0005263400000000, -0.0005400000000000, 0.0008790800000000 ] - [ -0.0003191700000000, -0.0003908300000000, -0.0003199900000000 ] - [ -0.0000249900000000, -0.0007287200000000, -0.0005654700000000 ] - [ -0.0008286600000000, 0.0035997600000000, 0.0030564400000000 ] - [ 0.0100876500000000, -0.0056027400000000, 0.0053969000000000 ] - [ -0.0008334900000000, -0.0001248800000000, 0.0001754200000000 ] - [ 0.0002836600000000, -0.0025189900000000, -0.0005559000000000 ] - [ 0.0003396500000000, 0.0005254700000000, -0.0026327800000000 ] - [ -0.0000020200000000, -0.0003073800000000, 0.0000341900000000 ] - [ -0.0002783000000000, -0.0004771200000000, -0.0001166100000000 ] - [ 0.0024712200000000, -0.0012066600000000, 0.0001970300000000 ] - [ -0.0003527900000000, -0.0002296500000000, -0.0002878600000000 ] - [ -0.0003145200000000, -0.0003895700000000, 0.0009701500000000 ] - [ -0.0002227900000000, -0.0003818200000000, -0.0001208700000000 ] - [ 0.0003999700000000, 0.0010724400000000, -0.0003186500000000 ] - [ 0.0006384300000000, -0.0003743000000000, 0.0009825900000000 ] - [ 0.0021553400000000, -0.0000714500000000, -0.0009057800000000 ] - [ -0.0007504700000000, -0.0005150100000000, 0.0001902200000000 ] - [ 0.0003624900000000, 0.0011816400000000, -0.0001606800000000 ] - [ 0.0008750300000000, 0.0001895900000000, 0.0002132400000000 ] - [ -0.0001360600000000, -0.0007099500000000, 0.0003760200000000 ] - [ 0.0016890100000000, -0.0027341700000000, -0.0017913600000000 ] - [ 0.0007534300000000, -0.0000470700000000, 0.0001676900000000 ] - [ -0.0010810700000000, -0.0010757400000000, -0.0007062700000000 ] - [ -0.0003367800000000, -0.0008179500000000, 0.0008485600000000 ] - [ -0.1406470100000000, 0.2586148100000000, -0.1035386000000000 ] - [ 0.0001543800000000, -0.0005349700000000, -0.0003264700000000 ] - [ 0.0002651400000000, -0.0005831300000000, 0.0008486400000000 ] - [ 0.0006447500000000, -0.0006694500000000, -0.0004834900000000 ] - [ -0.0012744500000000, -0.0005626500000000, 0.0002625400000000 ] - [ -0.0001162100000000, -0.0009367700000000, -0.0000993300000000 ] - [ 0.0001402000000000, -0.0003438900000000, 0.0002508300000000 ] - [ -0.0012527400000000, -0.0000874700000000, -0.0005593200000000 ] - [ -0.0004513700000000, -0.0000121400000000, -0.0001297100000000 ] - [ 0.0007410300000000, -0.0005361900000000, 0.0001897600000000 ] - [ -0.0016976100000000, 0.0009221200000000, -0.0005707900000000 ] - [ -0.0011896100000000, 0.0023262400000000, 0.0003471400000000 ] - [ -0.0006099700000000, -0.0002603800000000, -0.0002036800000000 ] - [ 0.0004275700000000, -0.0002824600000000, -0.0002154200000000 ] - [ 0.0001759000000000, -0.0001020300000000, 0.0009319300000000 ] - [ 0.0004044200000000, -0.0000797600000000, -0.0003640000000000 ] - [ -0.0012805800000000, 0.0000015100000000, 0.0002773800000000 ] - [ 0.0002216900000000, -0.0001165500000000, -0.0000880500000000 ] - [ 0.0000230300000000, -0.0001633400000000, 0.0000863600000000 ] - [ -0.0000559000000000, -0.0002563700000000, 0.0002028800000000 ] - [ 0.0000630000000000, -0.0007813300000000, -0.0000904500000000 ] - [ 0.0011545000000000, 0.0006914800000000, 0.0002027400000000 ] - [ -0.0005095100000000, -0.0004718600000000, -0.0004416300000000 ] - [ -0.0001215200000000, -0.0002881400000000, 0.0008604800000000 ] - [ -0.0002830500000000, -0.0003221700000000, -0.0003131200000000 ] - [ 0.0004489700000000, -0.0000517300000000, -0.0002027900000000 ] - [ 0.0005330600000000, 0.0005887500000000, 0.0009914100000000 ] - [ 0.0006738500000000, 0.0003775800000000, -0.0003821600000000 ] - [ -0.0007421600000000, 0.0001150700000000, 0.0001737300000000 ] - [ 0.0002253000000000, 0.0001034500000000, -0.0000927800000000 ] - [ 0.0001458200000000, 0.0003746200000000, 0.0000676100000000 ] - [ -0.0000808200000000, -0.0001694800000000, 0.0000988500000000 ] - [ -0.0002314700000000, 0.0000156100000000, -0.0000795400000000 ] - [ 0.0004452200000000, 0.0000523100000000, 0.0000927900000000 ] - [ -0.0005299400000000, -0.0000951300000000, -0.0003734500000000 ] - [ -0.0003180100000000, -0.0003037600000000, 0.0009523700000000 ] - [ -0.0005325200000000, -0.0001641300000000, -0.0002516000000000 ] - [ 0.0016049700000000, 0.0017649800000000, -0.0007974500000000 ] - [ 0.0001211700000000, -0.0001903100000000, 0.0009302400000000 ] - [ -0.0006207400000000, 0.0002210100000000, -0.0002079000000000 ] - [ -0.0008940500000000, -0.0005347900000000, 0.0001924700000000 ] - [ -0.0011561200000000, 0.0024058600000000, 0.0002447800000000 ] - [ -0.0007872700000000, 0.0000165300000000, 0.0002947500000000 ] - [ -0.0001521700000000, 0.0000095200000000, 0.0001067700000000 ] - [ -0.0002898400000000, 0.0001758400000000, -0.0000784000000000 ] - [ 0.0008005700000000, 0.0000487400000000, 0.0001841700000000 ] - [ -0.0005304900000000, -0.0002588000000000, -0.0003756300000000 ] - [ -0.0002579400000000, -0.0002730500000000, 0.0008909300000000 ] - [ -0.0002915600000000, 0.0004384100000000, -0.0001921600000000 ] - [ 0.0004072300000000, -0.0002005000000000, -0.0003160300000000 ] - [ 0.0003076100000000, -0.0004540700000000, 0.0008651600000000 ] - [ 0.0007246700000000, -0.0005831700000000, -0.0004827900000000 ] - [ -0.0006282100000000, 0.0002372700000000, 0.0001961600000000 ] - [ 0.0000681300000000, -0.0007293800000000, -0.0000672200000000 ] - [ 0.0002066600000000, -0.0002791900000000, 0.0002144100000000 ] - [ 0.0004365900000000, 0.0002145500000000, 0.0001189600000000 ] - [ 0.0001624800000000, 0.0002970600000000, -0.0000873400000000 ] - [ 0.0009161500000000, -0.0005185200000000, 0.0001903000000000 ] - [ 0.0001252600000000, 0.0004583700000000, -0.0003755900000000 ] - [ 0.0002619100000000, 0.0009184500000000, 0.0009305700000000 ] - [ -0.0001832500000000, -0.0002542100000000, -0.0002860100000000 ] - [ 0.0004205800000000, -0.0002836300000000, -0.0001811500000000 ] - [ 0.0005052100000000, -0.0006883600000000, 0.0010041600000000 ] - [ 0.0005054800000000, -0.0002303000000000, -0.0002945000000000 ] - [ 0.0004691000000000, -0.0007765100000000, 0.0004267400000000 ] - [ 0.0002885000000000, -0.0002886000000000, -0.0001013300000000 ] - [ 0.0000644500000000, -0.0003120000000000, 0.0000537900000000 ]- atom: 14 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001341400000000, -0.0015377500000000, -0.0002168600000000 ] - [ 0.0000242700000000, -0.0005940000000000, -0.0004530400000000 ] - [ -0.0003988700000000, -0.0008697200000000, -0.0003775300000000 ] - [ 0.0001682000000000, 0.0012956100000000, -0.0004609500000000 ] - [ -0.0000661000000000, -0.0000677800000000, -0.0005344200000000 ] - [ -0.0000560600000000, -0.0007084200000000, -0.0004584800000000 ] - [ 0.0003623100000000, -0.0004036700000000, -0.0004145100000000 ] - [ 0.0015703600000000, 0.0046714000000000, 0.0027865000000000 ] - [ -0.0001874200000000, -0.0006174600000000, -0.0000113100000000 ] - [ 0.0000659700000000, 0.0000756900000000, -0.0000340800000000 ] - [ 0.0000690600000000, -0.0000604500000000, 0.0001890300000000 ] - [ -0.0000871900000000, -0.0005227300000000, -0.0008145300000000 ] - [ -0.0011895500000000, -0.0006393100000000, -0.0011965000000000 ] - [ -0.1364511600000000, 0.2596326100000000, -0.0966304300000000 ] - [ -0.0005080500000000, -0.0006375000000000, 0.0004189000000000 ] - [ 0.0001718900000000, -0.0001435000000000, -0.0000366500000000 ] - [ -0.0005328700000000, 0.0037792500000000, 0.0024198200000000 ] - [ -0.0003833500000000, -0.0004016000000000, -0.0003029700000000 ] - [ -0.0010242200000000, 0.0027909000000000, -0.0005334800000000 ] - [ -0.0002797200000000, -0.0002855300000000, 0.0001718800000000 ] - [ 0.0008301000000000, -0.0002974600000000, -0.0003861100000000 ] - [ 0.0002606400000000, -0.0005445700000000, -0.0003405800000000 ] - [ -0.0000278600000000, -0.0003586200000000, 0.0005222800000000 ] - [ -0.0000130100000000, 0.0000343900000000, -0.0003389900000000 ] - [ 0.0008739600000000, 0.0001781900000000, -0.0000504800000000 ] - [ 0.0004062400000000, 0.0000554900000000, 0.0002537400000000 ] - [ -0.0002153100000000, 0.0000097700000000, 0.0001886700000000 ] - [ 0.0002880800000000, -0.0000579900000000, -0.0000524400000000 ] - [ 0.0001289200000000, 0.0000747000000000, -0.0004290100000000 ] - [ -0.0000035500000000, 0.0002325100000000, 0.0000830500000000 ] - [ -0.0000408500000000, -0.0003730600000000, -0.0002112700000000 ] - [ -0.0003340500000000, 0.0000538200000000, 0.0000188800000000 ] - [ 0.0002893100000000, -0.0002798100000000, 0.0001637000000000 ] - [ 0.0000864900000000, -0.0000844300000000, 0.0000676900000000 ] - [ 0.0115340500000000, -0.0179110800000000, 0.0063079600000000 ] - [ -0.0000423300000000, -0.0005920700000000, -0.0009350800000000 ] - [ -0.0002922500000000, -0.0001454000000000, -0.0000510800000000 ] - [ 0.0003712500000000, -0.0004747900000000, 0.0003505600000000 ] - [ -0.0004768500000000, -0.0006387200000000, 0.0004025600000000 ] - [ 0.0001728800000000, -0.0006111400000000, -0.0000978500000000 ] - [ 0.0000232100000000, -0.0004595400000000, -0.0008038400000000 ] - [ -0.0001474200000000, -0.0001002800000000, 0.0001147000000000 ] - [ -0.0001316800000000, 0.0001100900000000, -0.0000569600000000 ] - [ -0.0008440100000000, -0.0007286700000000, -0.0003216200000000 ] - [ 0.0003552900000000, 0.0000300700000000, -0.0000024700000000 ] - [ -0.0012692000000000, 0.0003078300000000, -0.0003880300000000 ] - [ -0.0001538900000000, -0.0003089900000000, 0.0005185100000000 ] - [ -0.0009205400000000, 0.0007103800000000, -0.0010134800000000 ] - [ -0.0002886800000000, -0.0000196200000000, -0.0000477600000000 ] - [ 0.0001983000000000, 0.0000354800000000, 0.0001931900000000 ] - [ -0.0006333800000000, 0.0010223400000000, 0.0005295800000000 ] - [ -0.0004749900000000, 0.0001108600000000, 0.0001074800000000 ] - [ 0.0000015400000000, 0.0001074400000000, -0.0004543900000000 ] - [ 0.0000459600000000, -0.0002641400000000, 0.0004868000000000 ] - [ -0.0002388900000000, -0.0004552300000000, -0.0002746600000000 ] - [ -0.0003735100000000, 0.0001562000000000, 0.0000528800000000 ] - [ 0.0005503900000000, 0.0000345100000000, -0.0001713000000000 ] - [ 0.0002269000000000, 0.0001839400000000, -0.0001376900000000 ] - [ 0.0000835400000000, -0.0000346400000000, 0.0001979300000000 ] - [ 0.0000173500000000, -0.0003538500000000, -0.0006832600000000 ] - [ 0.0000243300000000, 0.0000645700000000, -0.0000256400000000 ] - [ 0.0002912200000000, 0.0000778400000000, 0.0001758900000000 ] - [ -0.0002684300000000, -0.0003058500000000, 0.0002894900000000 ] - [ 0.0003189800000000, -0.0000965100000000, -0.0000550100000000 ] - [ 0.0000992900000000, 0.0000804400000000, -0.0002503100000000 ] - [ 0.0000316500000000, 0.0001667800000000, 0.0004199900000000 ] - [ -0.0001715600000000, 0.0006356800000000, -0.0003865700000000 ] - [ -0.0003124200000000, -0.0002238500000000, 0.0001203300000000 ] - [ 0.0003045000000000, 0.0003385600000000, 0.0001546200000000 ] - [ 0.0002339300000000, -0.0004861500000000, -0.0003015100000000 ] - [ -0.0000568300000000, -0.0002139300000000, 0.0004651100000000 ] - [ -0.0000176800000000, 0.0000726500000000, -0.0003959400000000 ] - [ -0.0008241100000000, 0.0002307400000000, -0.0001626700000000 ] - [ 0.0001502700000000, 0.0000569600000000, 0.0001847900000000 ] - [ -0.0002396600000000, 0.0000397900000000, 0.0002059100000000 ] - [ 0.0001693600000000, -0.0000287800000000, -0.0000404600000000 ] - [ -0.0000585600000000, 0.0001121700000000, -0.0004210600000000 ] - [ -0.0003237500000000, 0.0010870800000000, -0.0006047400000000 ] - [ -0.0003442500000000, -0.0005007600000000, -0.0003327700000000 ] - [ -0.0004072100000000, 0.0000181500000000, -0.0000480100000000 ] - [ 0.0003031400000000, -0.0002306300000000, 0.0001312300000000 ] - [ 0.0001710500000000, 0.0002780600000000, -0.0001661800000000 ] - [ -0.0000330100000000, 0.0003420400000000, 0.0005346300000000 ] - [ -0.0000270900000000, -0.0003064700000000, -0.0006351100000000 ] - [ -0.0002188200000000, -0.0001017800000000, -0.0000378800000000 ] - [ 0.0003730100000000, -0.0004390000000000, 0.0003421500000000 ] - [ -0.0003012200000000, -0.0003065300000000, 0.0002883700000000 ] - [ 0.0003278800000000, -0.0000169900000000, -0.0000428900000000 ] - [ 0.0000328800000000, -0.0004204400000000, -0.0007544000000000 ] - [ -0.0000221600000000, 0.0000106400000000, 0.0002549500000000 ] - [ -0.0001338800000000, 0.0001465800000000, -0.0000840000000000 ] - [ -0.0002212300000000, -0.0001505200000000, 0.0001549300000000 ] - [ 0.0003901600000000, 0.0000375000000000, -0.0000329300000000 ] - [ 0.0002984300000000, -0.0001340600000000, -0.0000492400000000 ] - [ 0.0001157800000000, -0.0001749800000000, 0.0003339700000000 ] - [ 0.0000746000000000, 0.0005146700000000, -0.0008065600000000 ] - [ -0.0001531800000000, -0.0000686800000000, -0.0000451200000000 ] - [ 0.0002795600000000, 0.0000348800000000, 0.0002105500000000 ] - [ 0.0002094300000000, 0.0004863000000000, 0.0001960200000000 ] - [ 0.0010792000000000, 0.0002099000000000, -0.0001532200000000 ] - [ 0.0000420900000000, 0.0000044800000000, -0.0002561100000000 ] - [ 0.0000605000000000, -0.0002929500000000, 0.0005198400000000 ] - [ -0.0002673300000000, -0.0005718800000000, -0.0003788100000000 ] - [ -0.0000539800000000, -0.0004831600000000, 0.0001038300000000 ] - [ -0.0048108300000000, -0.0013769800000000, 0.0010298900000000 ] - [ 0.0004260100000000, -0.0019111800000000, -0.0002461500000000 ] - [ 0.0114242600000000, -0.0045704700000000, -0.0062128500000000 ] - [ 0.0006787800000000, -0.0002564700000000, -0.0000388600000000 ] - [ -0.0004365400000000, -0.0018605400000000, -0.0002496400000000 ] - [ -0.0012265400000000, -0.0008131000000000, 0.0000868200000000 ] - [ -0.0005061200000000, -0.0003785500000000, -0.0000403500000000 ] - [ -0.0000908900000000, 0.0009297000000000, -0.0002013300000000 ] - [ 0.0010161200000000, 0.0004946500000000, -0.0002787700000000 ] - [ 0.0004902000000000, -0.0013177800000000, -0.0001872200000000 ] - [ -0.0006040000000000, 0.0022362600000000, -0.0001572400000000 ] - [ 0.0000703700000000, -0.0003015200000000, -0.0000793700000000 ] - [ -0.0004944800000000, -0.0013506800000000, -0.0001867600000000 ] - [ 0.0012319000000000, -0.0003329700000000, -0.0001020600000000 ] - [ -0.0002379900000000, -0.0002173600000000, -0.0000635300000000 ] - [ 0.0013821900000000, -0.0021170900000000, 0.0000947900000000 ] - [ 0.0000803100000000, 0.0002746900000000, 0.0000411400000000 ] - [ -0.0002035300000000, 0.0002433600000000, -0.0001003500000000 ] - [ 0.0021883700000000, -0.0003214700000000, 0.0011203200000000 ] - [ -0.0002434700000000, 0.0003146500000000, -0.0003175700000000 ] - [ -0.0000707000000000, 0.0003643500000000, 0.0009396800000000 ] - [ -0.0004091800000000, 0.0003162500000000, -0.0001954300000000 ] - [ 0.0007627500000000, 0.0006595800000000, 0.0000571400000000 ] - [ 0.0014617300000000, -0.0038356900000000, -0.0012914900000000 ] - [ -0.0092692400000000, 0.0053534300000000, -0.0064666600000000 ] - [ -0.0007709900000000, 0.0006632500000000, 0.0002004100000000 ] - [ -0.0000539600000000, 0.0019001900000000, 0.0003847300000000 ] - [ -0.0001084400000000, -0.0006257500000000, 0.0029882000000000 ] - [ -0.0002145500000000, 0.0003909700000000, 0.0002689400000000 ] - [ 0.0000524700000000, 0.0011437000000000, -0.0000605100000000 ] - [ -0.0008945500000000, 0.0006904800000000, 0.0001780000000000 ] - [ -0.0007802900000000, 0.0007037200000000, -0.0005319800000000 ] - [ -0.0002894500000000, 0.0005764900000000, 0.0008480900000000 ] - [ -0.0005074600000000, 0.0004677000000000, -0.0003976100000000 ] - [ 0.0003249200000000, -0.0010081400000000, -0.0001977100000000 ] - [ -0.0000412100000000, 0.0005625700000000, 0.0008349200000000 ] - [ -0.0010509400000000, 0.0005466000000000, 0.0000957700000000 ] - [ -0.0008571000000000, -0.0000145500000000, 0.0001850400000000 ] - [ -0.0001405400000000, -0.0005370800000000, -0.0000159900000000 ] - [ -0.0006735600000000, -0.0001129600000000, 0.0000879700000000 ] - [ -0.0000809200000000, 0.0006562000000000, -0.0000691800000000 ] - [ -0.0019253500000000, 0.0020964100000000, 0.0016451700000000 ] - [ 0.0008547900000000, 0.0005850600000000, 0.0002079700000000 ] - [ -0.0000381800000000, 0.0006228500000000, -0.0001074500000000 ] - [ -0.0002629600000000, 0.0006505400000000, 0.0009704300000000 ] - [ 0.1296854900000000, -0.2459693900000000, 0.0938550000000000 ] - [ 0.0005790000000000, 0.0004632600000000, -0.0001900700000000 ] - [ 0.0003389000000000, 0.0004102700000000, 0.0009708700000000 ] - [ 0.0004874000000000, 0.0002075400000000, -0.0003346100000000 ] - [ -0.0003133900000000, 0.0011053200000000, 0.0001149600000000 ] - [ 0.0003487500000000, 0.0002891900000000, -0.0000779000000000 ] - [ 0.0000752900000000, 0.0002699900000000, 0.0000492300000000 ] - [ 0.0010491600000000, 0.0001536800000000, 0.0008503000000000 ] - [ 0.0002300200000000, 0.0006678900000000, -0.0000504100000000 ] - [ 0.0008663600000000, 0.0000064200000000, 0.0001850800000000 ] - [ 0.0005809800000000, -0.0004670600000000, -0.0002438800000000 ] - [ 0.0005846800000000, -0.0021760100000000, 0.0014809500000000 ] - [ -0.0001156000000000, 0.0003424000000000, -0.0003114300000000 ] - [ 0.0002996400000000, 0.0003662800000000, -0.0003019100000000 ] - [ 0.0004278800000000, 0.0002823700000000, 0.0008868100000000 ] - [ 0.0007303400000000, 0.0005511200000000, -0.0004562900000000 ] - [ -0.0003250200000000, -0.0005390000000000, 0.0000978700000000 ] - [ 0.0000045800000000, 0.0007802900000000, -0.0000900400000000 ] - [ 0.0001932400000000, 0.0002437000000000, 0.0002149200000000 ] - [ -0.0001612900000000, 0.0001816000000000, 0.0000980500000000 ] - [ -0.0002943000000000, 0.0001308500000000, -0.0000880300000000 ] - [ 0.0004438600000000, -0.0001656100000000, 0.0001723200000000 ] - [ -0.0006277800000000, 0.0000061700000000, -0.0003784700000000 ] - [ -0.0004857600000000, 0.0001132200000000, 0.0009592500000000 ] - [ -0.0004470100000000, 0.0002474200000000, -0.0002031100000000 ] - [ 0.0002760200000000, -0.0000274100000000, -0.0003143100000000 ] - [ 0.0000624600000000, -0.0007781100000000, 0.0008270700000000 ] - [ 0.0004517000000000, -0.0008542500000000, -0.0004369100000000 ] - [ -0.0008663600000000, 0.0004200000000000, 0.0002013600000000 ] - [ -0.0000006200000000, -0.0007661400000000, -0.0000854200000000 ] - [ 0.0000650700000000, -0.0004593600000000, 0.0002357400000000 ] - [ -0.0001347300000000, 0.0002501700000000, 0.0002027900000000 ] - [ 0.0000038300000000, 0.0006428900000000, -0.0000981500000000 ] - [ 0.0011629500000000, -0.0005913400000000, 0.0002835100000000 ] - [ -0.0006022400000000, 0.0005669400000000, -0.0004460400000000 ] - [ -0.0002843900000000, 0.0004876200000000, 0.0008657300000000 ] - [ -0.0001944300000000, 0.0002439300000000, -0.0002641600000000 ] - [ -0.0009057100000000, -0.0017031100000000, 0.0002899100000000 ] - [ 0.0004838900000000, 0.0003701900000000, 0.0008886700000000 ] - [ 0.0017675500000000, 0.0002402400000000, -0.0006125500000000 ] - [ -0.0007109200000000, 0.0000055000000000, 0.0001834300000000 ] - [ 0.0014023000000000, -0.0017924400000000, -0.0004175600000000 ] - [ 0.0010145900000000, 0.0000556100000000, 0.0000030100000000 ] - [ -0.0000657600000000, -0.0000889000000000, 0.0001950000000000 ] - [ 0.0000609900000000, -0.0008383700000000, -0.0000993300000000 ] - [ 0.0008046500000000, 0.0004872000000000, 0.0001911000000000 ] - [ -0.0006066900000000, -0.0002093900000000, -0.0004450400000000 ] - [ -0.0003461800000000, 0.0000962700000000, 0.0009285700000000 ] - [ -0.0004406200000000, -0.0005239900000000, -0.0003247500000000 ] - [ 0.0003194700000000, 0.0001239300000000, -0.0002000600000000 ] - [ 0.0002937800000000, 0.0002807900000000, 0.0009546400000000 ] - [ 0.0004032200000000, 0.0001208800000000, -0.0003346100000000 ] - [ -0.0009836200000000, 0.0002970100000000, 0.0001794300000000 ] - [ 0.0001609300000000, 0.0000792500000000, -0.0001110400000000 ] - [ 0.0000067100000000, 0.0002043500000000, 0.0000855000000000 ] - [ -0.0006649800000000, -0.0001378600000000, 0.0001842700000000 ] - [ -0.0003958100000000, 0.0003620900000000, -0.0000900700000000 ] - [ 0.0006881700000000, -0.0000115200000000, 0.0001842000000000 ] - [ -0.0012742300000000, 0.0000118900000000, -0.0004438500000000 ] - [ -0.0008752300000000, -0.0007513500000000, 0.0008867700000000 ] - [ -0.0005487200000000, 0.0003394400000000, -0.0002307700000000 ] - [ 0.0003074700000000, 0.0003669300000000, -0.0003369700000000 ] - [ 0.0000941600000000, 0.0008795300000000, 0.0008144400000000 ] - [ 0.0006294300000000, 0.0007061000000000, -0.0005266900000000 ] - [ -0.0021033000000000, 0.0002553200000000, -0.0000595200000000 ] - [ -0.0000627200000000, 0.0009561300000000, -0.0000761400000000 ] - [ 0.0001526700000000, 0.0003955500000000, 0.0002484000000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000070200000000, -0.0006509200000000, -0.0001781300000000 ] - [ 0.0000178000000000, -0.0002113900000000, -0.0004550500000000 ] - [ -0.0001813500000000, -0.0002884200000000, -0.0004077500000000 ] - [ 0.0001884400000000, 0.0004694500000000, -0.0004407800000000 ] - [ 0.0000645600000000, 0.0000248100000000, -0.0004773300000000 ] - [ -0.0000286000000000, -0.0002356400000000, -0.0004616500000000 ] - [ 0.0001372100000000, -0.0001554400000000, -0.0004486500000000 ] - [ 0.0027688100000000, -0.0011297600000000, 0.0037160700000000 ] - [ 0.0006294500000000, 0.0005586600000000, -0.0006287900000000 ] - [ 0.0001525300000000, 0.0002424600000000, -0.0001348700000000 ] - [ 0.0000270400000000, 0.0000590500000000, 0.0002990500000000 ] - [ -0.0000731900000000, -0.0003304300000000, -0.0006561500000000 ] - [ -0.0012455300000000, 0.0016015600000000, 0.0005903200000000 ] - [ -0.0523668200000000, 0.0998382900000000, -0.0965832100000000 ] - [ -0.0003808600000000, -0.0003719800000000, 0.0003065100000000 ] - [ 0.0001886500000000, -0.0000690000000000, -0.0000388700000000 ] - [ 0.0008232800000000, 0.0009598300000000, 0.0037049800000000 ] - [ -0.0003502700000000, -0.0000279200000000, -0.0001925100000000 ] - [ -0.0019713100000000, 0.0011971500000000, 0.0020065500000000 ] - [ -0.0003209500000000, -0.0001917800000000, 0.0000967400000000 ] - [ 0.0002924400000000, 0.0002279100000000, 0.0006945800000000 ] - [ 0.0002137600000000, -0.0004021800000000, -0.0002477400000000 ] - [ -0.0000052200000000, -0.0002269000000000, 0.0004061600000000 ] - [ -0.0000199900000000, 0.0001701300000000, -0.0004877700000000 ] - [ 0.0001546600000000, 0.0001401500000000, -0.0000852800000000 ] - [ 0.0003269000000000, 0.0001534500000000, 0.0002347500000000 ] - [ -0.0002698800000000, 0.0001572000000000, 0.0002410700000000 ] - [ 0.0002544200000000, 0.0000018000000000, -0.0000475100000000 ] - [ 0.0000802100000000, 0.0001597600000000, -0.0004884300000000 ] - [ -0.0000434200000000, -0.0000099600000000, 0.0002631400000000 ] - [ -0.0001326900000000, -0.0003410500000000, -0.0002011400000000 ] - [ -0.0003319200000000, 0.0001098300000000, 0.0000491100000000 ] - [ 0.0003176500000000, -0.0001922500000000, 0.0001012600000000 ] - [ 0.0001128900000000, 0.0001163100000000, -0.0000385200000000 ] - [ -0.0143466700000000, 0.0247417800000000, -0.0120811800000000 ] - [ -0.0000316400000000, -0.0003626800000000, -0.0006906000000000 ] - [ -0.0002628400000000, -0.0000775400000000, -0.0000480200000000 ] - [ 0.0003220300000000, -0.0003197300000000, 0.0002976600000000 ] - [ -0.0003762900000000, -0.0003886300000000, 0.0003060600000000 ] - [ 0.0000424000000000, -0.0005032500000000, -0.0000083600000000 ] - [ 0.0000211500000000, -0.0003212600000000, -0.0006560500000000 ] - [ -0.0000663000000000, 0.0000414800000000, 0.0002599000000000 ] - [ -0.0001701600000000, 0.0002474700000000, -0.0001463900000000 ] - [ -0.0006448800000000, -0.0002038400000000, -0.0003120700000000 ] - [ 0.0003397900000000, 0.0001057700000000, 0.0000435900000000 ] - [ 0.0003577800000000, 0.0001559400000000, -0.0003110000000000 ] - [ -0.0000361800000000, -0.0001462000000000, 0.0003875100000000 ] - [ -0.0006445000000000, 0.0002741600000000, -0.0009049500000000 ] - [ -0.0002555300000000, 0.0000214800000000, -0.0000460500000000 ] - [ 0.0002716900000000, 0.0001794200000000, 0.0002510900000000 ] - [ -0.0004253300000000, 0.0004997900000000, 0.0004073500000000 ] - [ 0.0001414200000000, 0.0000730000000000, -0.0000309600000000 ] - [ 0.0000175700000000, 0.0002062600000000, -0.0005374700000000 ] - [ 0.0000078000000000, -0.0001669600000000, 0.0003951500000000 ] - [ -0.0002027000000000, -0.0003627600000000, -0.0002192400000000 ] - [ -0.0003268600000000, 0.0001646500000000, 0.0000915100000000 ] - [ 0.0004321600000000, -0.0000723000000000, -0.0000327300000000 ] - [ 0.0002110500000000, 0.0002613000000000, -0.0001708600000000 ] - [ 0.0000423400000000, 0.0000597400000000, 0.0002896200000000 ] - [ -0.0000040500000000, -0.0002901400000000, -0.0006226000000000 ] - [ -0.0000743400000000, 0.0000026200000000, -0.0000309700000000 ] - [ 0.0003195000000000, -0.0001445600000000, 0.0002460100000000 ] - [ -0.0002770500000000, -0.0002575100000000, 0.0002746800000000 ] - [ 0.0002855100000000, -0.0000631400000000, -0.0000504500000000 ] - [ 0.0000721700000000, -0.0001351600000000, -0.0004610800000000 ] - [ 0.0000217700000000, 0.0001441300000000, 0.0003854700000000 ] - [ -0.0001520200000000, 0.0004257800000000, -0.0002643900000000 ] - [ -0.0003226400000000, -0.0001705400000000, 0.0000874600000000 ] - [ 0.0003563100000000, 0.0001992400000000, 0.0000448600000000 ] - [ 0.0002052900000000, -0.0003751800000000, -0.0002300200000000 ] - [ 0.0000023500000000, -0.0001372700000000, 0.0003673300000000 ] - [ -0.0000196300000000, 0.0001902400000000, -0.0005156900000000 ] - [ -0.0002720100000000, 0.0001290300000000, -0.0001014700000000 ] - [ 0.0002786600000000, 0.0002228300000000, 0.0002347000000000 ] - [ -0.0002798900000000, 0.0001744600000000, 0.0002496500000000 ] - [ 0.0002188000000000, 0.0000207900000000, -0.0000449400000000 ] - [ 0.0000223800000000, 0.0002424300000000, -0.0004997100000000 ] - [ 0.0000192700000000, 0.0003728800000000, -0.0004468800000000 ] - [ -0.0002032200000000, -0.0002748700000000, -0.0002030000000000 ] - [ -0.0003605600000000, 0.0001054100000000, 0.0000286000000000 ] - [ 0.0003259400000000, -0.0001725800000000, 0.0000855500000000 ] - [ 0.0001906000000000, 0.0003132700000000, -0.0001890600000000 ] - [ 0.0000114700000000, 0.0001893200000000, 0.0004031600000000 ] - [ -0.0000191900000000, -0.0002649500000000, -0.0005921800000000 ] - [ -0.0002242900000000, -0.0000608200000000, -0.0000419500000000 ] - [ 0.0003286300000000, -0.0003111100000000, 0.0002970700000000 ] - [ -0.0002934100000000, -0.0002590600000000, 0.0002746500000000 ] - [ 0.0003017900000000, -0.0000322100000000, -0.0000473800000000 ] - [ 0.0000273600000000, -0.0003074100000000, -0.0006356600000000 ] - [ -0.0000134700000000, 0.0000782800000000, 0.0003162400000000 ] - [ -0.0001685400000000, 0.0002609900000000, -0.0001566100000000 ] - [ -0.0002851600000000, -0.0001578200000000, 0.0001105000000000 ] - [ 0.0003555500000000, 0.0001067000000000, 0.0000299200000000 ] - [ 0.0002543600000000, -0.0002837300000000, -0.0001290300000000 ] - [ 0.0000507000000000, -0.0001431100000000, 0.0003524800000000 ] - [ 0.0000047800000000, 0.0003307900000000, -0.0006633000000000 ] - [ -0.0002065500000000, 0.0000022500000000, -0.0000444000000000 ] - [ 0.0002962600000000, 0.0001617900000000, 0.0002510600000000 ] - [ -0.0000729400000000, 0.0001671400000000, 0.0001863600000000 ] - [ 0.0005008400000000, 0.0000136000000000, -0.0000225600000000 ] - [ 0.0000389500000000, 0.0001448700000000, -0.0004771500000000 ] - [ 0.0000113900000000, -0.0001754300000000, 0.0004057500000000 ] - [ -0.0002146500000000, -0.0004106500000000, -0.0002540300000000 ] - [ -0.0001896700000000, 0.0000106200000000, 0.0003361500000000 ] - [ -0.0023572900000000, -0.0015957800000000, 0.0012315700000000 ] - [ 0.0003653800000000, -0.0011317200000000, -0.0001760200000000 ] - [ 0.0047315600000000, -0.0004626200000000, -0.0090216400000000 ] - [ 0.0005392900000000, 0.0002904100000000, -0.0000885200000000 ] - [ -0.0004294900000000, -0.0010867000000000, -0.0001682800000000 ] - [ -0.0001066200000000, -0.0007401200000000, 0.0008313000000000 ] - [ -0.0004573000000000, 0.0002950200000000, -0.0000974300000000 ] - [ 0.0002938900000000, 0.0007960800000000, -0.0001750100000000 ] - [ 0.0002875400000000, -0.0001271900000000, -0.0002899800000000 ] - [ 0.0004752300000000, -0.0008565800000000, -0.0001457700000000 ] - [ -0.0003202200000000, 0.0012003300000000, -0.0000628900000000 ] - [ 0.0002678500000000, 0.0004017600000000, -0.0001169400000000 ] - [ -0.0004262800000000, -0.0008813400000000, -0.0001491400000000 ] - [ 0.0008356200000000, -0.0006243500000000, -0.0000740400000000 ] - [ -0.0003429500000000, 0.0003449700000000, -0.0001074300000000 ] - [ 0.0011693600000000, -0.0008548600000000, -0.0007806500000000 ] - [ -0.0000280300000000, 0.0000532700000000, 0.0001131900000000 ] - [ -0.0001275100000000, -0.0001457900000000, -0.0000932900000000 ] - [ 0.0005473300000000, -0.0019266500000000, -0.0012623700000000 ] - [ -0.0004325300000000, -0.0000755000000000, -0.0003666200000000 ] - [ -0.0001586800000000, 0.0000399100000000, 0.0009354600000000 ] - [ -0.0003630400000000, 0.0000839400000000, -0.0002396700000000 ] - [ 0.0006738700000000, 0.0001087800000000, -0.0000055600000000 ] - [ 0.0008036100000000, -0.0010277900000000, -0.0021414100000000 ] - [ -0.0069328100000000, 0.0068543300000000, 0.0022258000000000 ] - [ -0.0007589300000000, 0.0004012600000000, 0.0001777400000000 ] - [ -0.0001960900000000, 0.0016748700000000, 0.0009889500000000 ] - [ 0.0024548200000000, -0.0022324700000000, 0.0022720900000000 ] - [ -0.0001403400000000, 0.0001726500000000, 0.0002097400000000 ] - [ -0.0000285400000000, 0.0006785500000000, -0.0000795600000000 ] - [ 0.0001213300000000, -0.0000871200000000, -0.0002658600000000 ] - [ -0.0006434800000000, 0.0004215800000000, -0.0004573900000000 ] - [ -0.0003001000000000, 0.0002550800000000, 0.0008870400000000 ] - [ -0.0003903700000000, 0.0002193600000000, -0.0002908300000000 ] - [ 0.0003368100000000, -0.0003081300000000, -0.0003033600000000 ] - [ 0.0001653700000000, 0.0002797300000000, 0.0008558800000000 ] - [ -0.0002965000000000, 0.0004753500000000, -0.0000469800000000 ] - [ -0.0008231100000000, -0.0001665800000000, 0.0001782400000000 ] - [ -0.0000007600000000, -0.0000088700000000, -0.0000137300000000 ] - [ -0.0001895800000000, -0.0000211500000000, 0.0001773400000000 ] - [ -0.0002902100000000, 0.0007403200000000, 0.0002061400000000 ] - [ -0.0009159700000000, 0.0002824400000000, 0.0030519700000000 ] - [ 0.0008252000000000, 0.0003729900000000, 0.0001881700000000 ] - [ -0.0003349500000000, 0.0000887600000000, -0.0002577500000000 ] - [ -0.0002593600000000, 0.0002100300000000, 0.0008944700000000 ] - [ 0.0687779300000000, -0.1291602100000000, 0.1011748900000000 ] - [ 0.0004519600000000, 0.0001465500000000, -0.0002264600000000 ] - [ 0.0003264600000000, 0.0001006700000000, 0.0009335200000000 ] - [ 0.0005513200000000, -0.0000882900000000, -0.0003842500000000 ] - [ -0.0003962700000000, 0.0007276300000000, 0.0001392100000000 ] - [ 0.0002029500000000, -0.0001116300000000, -0.0000833600000000 ] - [ 0.0001044800000000, 0.0000679200000000, 0.0001207100000000 ] - [ 0.0001038800000000, -0.0003186800000000, 0.0000235500000000 ] - [ 0.0000038600000000, 0.0003227600000000, -0.0001835200000000 ] - [ 0.0008263900000000, -0.0001705900000000, 0.0001804400000000 ] - [ -0.0001638600000000, 0.0001079700000000, -0.0004465900000000 ] - [ -0.0000814100000000, -0.0008003100000000, 0.0015415400000000 ] - [ -0.0002746600000000, 0.0001103400000000, -0.0002627400000000 ] - [ 0.0003324700000000, 0.0001518100000000, -0.0002719700000000 ] - [ 0.0003435500000000, 0.0001343000000000, 0.0008997600000000 ] - [ 0.0006167500000000, 0.0003375900000000, -0.0004237600000000 ] - [ -0.0007506900000000, -0.0003755700000000, 0.0001711100000000 ] - [ 0.0000734100000000, 0.0004735600000000, -0.0000897700000000 ] - [ 0.0001344900000000, 0.0001050000000000, 0.0001768500000000 ] - [ -0.0001434000000000, 0.0000491200000000, 0.0001355100000000 ] - [ -0.0001897100000000, -0.0001470400000000, -0.0000881900000000 ] - [ 0.0005993600000000, 0.0000973300000000, 0.0001671600000000 ] - [ -0.0006133600000000, -0.0001497400000000, -0.0003966200000000 ] - [ -0.0004133500000000, 0.0000173900000000, 0.0009366400000000 ] - [ -0.0003935000000000, 0.0000660100000000, -0.0002364300000000 ] - [ 0.0002871000000000, -0.0000411600000000, -0.0002825000000000 ] - [ 0.0001616500000000, -0.0003150700000000, 0.0008854000000000 ] - [ 0.0004270600000000, -0.0004561700000000, -0.0004024300000000 ] - [ -0.0008450200000000, 0.0003098800000000, 0.0001858100000000 ] - [ 0.0000322600000000, -0.0004946600000000, -0.0001001600000000 ] - [ 0.0000256800000000, -0.0001822500000000, 0.0001989600000000 ] - [ -0.0001263800000000, 0.0001046500000000, 0.0001691700000000 ] - [ -0.0000964600000000, 0.0004019800000000, -0.0000877900000000 ] - [ 0.0007846700000000, -0.0003916100000000, 0.0002054000000000 ] - [ -0.0005888300000000, 0.0003470900000000, -0.0004216500000000 ] - [ -0.0003014100000000, 0.0002117600000000, 0.0008960500000000 ] - [ -0.0003312900000000, 0.0000632900000000, -0.0002477400000000 ] - [ -0.0005474400000000, -0.0003553300000000, 0.0000349900000000 ] - [ 0.0003315600000000, 0.0000770800000000, 0.0008685200000000 ] - [ 0.0011148000000000, 0.0003087900000000, -0.0005928100000000 ] - [ -0.0007692300000000, -0.0001781700000000, 0.0001815700000000 ] - [ 0.0008239800000000, 0.0003823800000000, -0.0003389200000000 ] - [ 0.0001358500000000, -0.0001785200000000, 0.0005477600000000 ] - [ -0.0001294200000000, -0.0000688000000000, 0.0001626200000000 ] - [ -0.0000827800000000, -0.0005130900000000, -0.0000790400000000 ] - [ 0.0007941400000000, 0.0003358100000000, 0.0001811900000000 ] - [ -0.0006290800000000, -0.0002390900000000, -0.0004335600000000 ] - [ -0.0003338900000000, -0.0000198600000000, 0.0009170500000000 ] - [ -0.0004246000000000, -0.0001946300000000, -0.0002860500000000 ] - [ 0.0003304400000000, 0.0000195100000000, -0.0002359900000000 ] - [ 0.0002956900000000, 0.0000428300000000, 0.0009246100000000 ] - [ 0.0005022200000000, -0.0001162100000000, -0.0003812100000000 ] - [ -0.0008981300000000, 0.0002869200000000, 0.0001796500000000 ] - [ 0.0001256400000000, -0.0001761400000000, -0.0000971900000000 ] - [ 0.0000692400000000, 0.0000454400000000, 0.0001320200000000 ] - [ -0.0002979900000000, 0.0000075300000000, 0.0001353600000000 ] - [ -0.0002230700000000, 0.0003719200000000, -0.0000885200000000 ] - [ 0.0007584100000000, -0.0001710700000000, 0.0001782700000000 ] - [ -0.0009212700000000, 0.0002737400000000, -0.0003869800000000 ] - [ -0.0005194300000000, -0.0002102300000000, 0.0008591100000000 ] - [ -0.0004252800000000, 0.0001463600000000, -0.0002614800000000 ] - [ 0.0003382400000000, 0.0001457300000000, -0.0002852100000000 ] - [ 0.0002293600000000, 0.0003187600000000, 0.0009075400000000 ] - [ 0.0005893100000000, 0.0004099600000000, -0.0004457500000000 ] - [ -0.0010037200000000, -0.0001293300000000, 0.0001614200000000 ] - [ 0.0000537500000000, 0.0005390300000000, -0.0000842600000000 ] - [ 0.0001252600000000, 0.0001645300000000, 0.0001857900000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000075300000000, 0.0006394300000000, -0.0007309400000000 ] - [ -0.0000172700000000, 0.0002069700000000, -0.0004577900000000 ] - [ 0.0001772200000000, 0.0002816200000000, -0.0005038200000000 ] - [ -0.0001864500000000, -0.0004602300000000, -0.0004727500000000 ] - [ -0.0000645400000000, -0.0000239900000000, -0.0004364500000000 ] - [ 0.0000277900000000, 0.0002304100000000, -0.0004511400000000 ] - [ -0.0001347200000000, 0.0001524800000000, -0.0004636300000000 ] - [ -0.0028169800000000, 0.0011869000000000, -0.0045952800000000 ] - [ 0.0000368800000000, -0.0008434200000000, 0.0007689400000000 ] - [ 0.0002250000000000, 0.0003978800000000, -0.0002544400000000 ] - [ -0.0000009700000000, 0.0001685200000000, 0.0003923800000000 ] - [ 0.0000281300000000, -0.0001663500000000, -0.0004939400000000 ] - [ 0.0007630300000000, -0.0016969700000000, -0.0006818500000000 ] - [ 0.0545192500000000, -0.1032616800000000, 0.0959391800000000 ] - [ -0.0002226600000000, -0.0001138300000000, 0.0002389300000000 ] - [ 0.0002866200000000, -0.0000112900000000, -0.0000508800000000 ] - [ -0.0007630900000000, -0.0014622600000000, -0.0048054000000000 ] - [ 0.0003197200000000, 0.0002523500000000, 0.0008780100000000 ] - [ 0.0016222800000000, -0.0005644500000000, -0.0024198000000000 ] - [ -0.0003484200000000, -0.0000971900000000, 0.0000340500000000 ] - [ 0.0003806000000000, 0.0000566400000000, -0.0005711200000000 ] - [ 0.0001652500000000, -0.0002413000000000, -0.0001435800000000 ] - [ 0.0000310500000000, -0.0000039200000000, 0.0002873400000000 ] - [ -0.0000241100000000, 0.0003235000000000, -0.0006595200000000 ] - [ -0.0006236100000000, -0.0000604300000000, -0.0000037600000000 ] - [ 0.0002757300000000, 0.0003279700000000, 0.0003089700000000 ] - [ -0.0003311500000000, 0.0003243500000000, 0.0003026800000000 ] - [ 0.0002217600000000, 0.0000772200000000, -0.0000422200000000 ] - [ -0.0000348600000000, 0.0003339100000000, -0.0006591200000000 ] - [ 0.0000182100000000, -0.0002167300000000, 0.0004281500000000 ] - [ -0.0002445800000000, -0.0003010000000000, -0.0001891400000000 ] - [ -0.0003375800000000, 0.0001777300000000, 0.0000810200000000 ] - [ 0.0003518000000000, -0.0000965900000000, 0.0000295800000000 ] - [ 0.0002651400000000, 0.0005223700000000, -0.0003500300000000 ] - [ 0.0144306500000000, -0.0247703300000000, 0.0128333700000000 ] - [ -0.0000128500000000, -0.0001343600000000, -0.0004589800000000 ] - [ -0.0002138400000000, -0.0000028600000000, -0.0000417600000000 ] - [ 0.0002800000000000, -0.0001647600000000, 0.0002471200000000 ] - [ -0.0002263600000000, -0.0000968500000000, 0.0002382900000000 ] - [ 0.0004335400000000, 0.0004094300000000, -0.0000868700000000 ] - [ 0.0000231300000000, -0.0001753400000000, -0.0004944200000000 ] - [ 0.0000394100000000, 0.0001858700000000, 0.0004307700000000 ] - [ -0.0002079300000000, 0.0003929700000000, -0.0002430100000000 ] - [ -0.0000319500000000, -0.0000874400000000, 0.0004327200000000 ] - [ 0.0003303300000000, 0.0001812700000000, 0.0000857800000000 ] - [ 0.0000093100000000, -0.0007955400000000, -0.0000868900000000 ] - [ 0.0000612500000000, -0.0000831400000000, 0.0003047500000000 ] - [ 0.0005932700000000, 0.0002229900000000, -0.0002431900000000 ] - [ -0.0002209500000000, 0.0000578800000000, -0.0000436700000000 ] - [ 0.0003291200000000, 0.0003017600000000, 0.0002923300000000 ] - [ -0.0001767000000000, -0.0000107900000000, 0.0001387200000000 ] - [ 0.0003314700000000, 0.0000070000000000, -0.0000586200000000 ] - [ 0.0000266700000000, 0.0002879300000000, -0.0006104700000000 ] - [ -0.0000328400000000, -0.0000630400000000, 0.0002987200000000 ] - [ -0.0001760700000000, -0.0002800100000000, -0.0001716800000000 ] - [ -0.0003429500000000, 0.0001234200000000, 0.0000382800000000 ] - [ 0.0002395900000000, -0.0002142400000000, 0.0001608400000000 ] - [ 0.0001681200000000, 0.0003798500000000, -0.0002192200000000 ] - [ -0.0000161000000000, 0.0001681600000000, 0.0004020400000000 ] - [ -0.0000397100000000, -0.0002053200000000, -0.0005266500000000 ] - [ -0.0003984800000000, -0.0000813900000000, -0.0000584500000000 ] - [ 0.0002825500000000, -0.0003362800000000, 0.0002977100000000 ] - [ -0.0003242000000000, -0.0002257800000000, 0.0002696000000000 ] - [ 0.0001911200000000, -0.0000169800000000, -0.0000393900000000 ] - [ -0.0000267800000000, -0.0003575300000000, -0.0006854200000000 ] - [ -0.0000467700000000, 0.0000855100000000, 0.0003081100000000 ] - [ -0.0002256900000000, 0.0002182200000000, -0.0001273500000000 ] - [ -0.0003468800000000, -0.0001180300000000, 0.0000432300000000 ] - [ 0.0003136600000000, 0.0000904200000000, 0.0000855500000000 ] - [ 0.0001733600000000, -0.0002677400000000, -0.0001609100000000 ] - [ 0.0000230400000000, -0.0000920300000000, 0.0003259200000000 ] - [ -0.0000246000000000, 0.0003037200000000, -0.0006320800000000 ] - [ -0.0002066500000000, -0.0000474100000000, 0.0000111600000000 ] - [ 0.0003223200000000, 0.0002596800000000, 0.0003091300000000 ] - [ -0.0003214600000000, 0.0003073700000000, 0.0002942700000000 ] - [ 0.0002567200000000, 0.0000584600000000, -0.0000448000000000 ] - [ 0.0000211400000000, 0.0002522200000000, -0.0006487100000000 ] - [ -0.0000368900000000, -0.0005903200000000, 0.0011259500000000 ] - [ -0.0001760000000000, -0.0003669300000000, -0.0001870500000000 ] - [ -0.0003098900000000, 0.0001815900000000, 0.0001004200000000 ] - [ 0.0003438000000000, -0.0001158400000000, 0.0000448700000000 ] - [ 0.0001881100000000, 0.0003286400000000, -0.0002013000000000 ] - [ 0.0000145700000000, 0.0000409700000000, 0.0002904800000000 ] - [ -0.0000249500000000, -0.0002301900000000, -0.0005566500000000 ] - [ -0.0002512900000000, -0.0000193000000000, -0.0000475800000000 ] - [ 0.0002737500000000, -0.0001735100000000, 0.0002478300000000 ] - [ -0.0003079200000000, -0.0002240200000000, 0.0002694700000000 ] - [ 0.0001761300000000, -0.0000473200000000, -0.0000426100000000 ] - [ 0.0000170300000000, -0.0001890800000000, -0.0005147900000000 ] - [ -0.0000123100000000, 0.0001498700000000, 0.0003755500000000 ] - [ -0.0002094000000000, 0.0003794700000000, -0.0002326600000000 ] - [ -0.0003833800000000, -0.0001303700000000, 0.0000206000000000 ] - [ 0.0003146400000000, 0.0001804600000000, 0.0000993600000000 ] - [ 0.0001254200000000, -0.0003563900000000, -0.0002590600000000 ] - [ -0.0000238200000000, -0.0000863600000000, 0.0003396300000000 ] - [ -0.0000486200000000, 0.0001663000000000, -0.0004880800000000 ] - [ -0.0002691700000000, 0.0000767200000000, -0.0000453200000000 ] - [ 0.0003049900000000, 0.0003192400000000, 0.0002925500000000 ] - [ -0.0005231700000000, 0.0003155200000000, 0.0003545100000000 ] - [ -0.0000156800000000, 0.0000689700000000, -0.0000706400000000 ] - [ 0.0000055400000000, 0.0003480700000000, -0.0006698800000000 ] - [ -0.0000365500000000, -0.0000547100000000, 0.0002881700000000 ] - [ -0.0001645600000000, -0.0002330600000000, -0.0001375000000000 ] - [ -0.0004716100000000, 0.0002623400000000, -0.0002081500000000 ] - [ 0.0014893400000000, 0.0003108100000000, -0.0015018300000000 ] - [ 0.0004746000000000, -0.0001664400000000, -0.0000894500000000 ] - [ -0.0055137900000000, 0.0017836100000000, 0.0087120000000000 ] - [ 0.0003041600000000, 0.0009908500000000, -0.0001754100000000 ] - [ -0.0004109700000000, -0.0002104800000000, -0.0000966400000000 ] - [ 0.0009327800000000, -0.0005238000000000, -0.0010782800000000 ] - [ -0.0003834400000000, 0.0009858300000000, -0.0001659700000000 ] - [ 0.0005452000000000, 0.0004950000000000, -0.0000894600000000 ] - [ -0.0011139100000000, -0.0011521200000000, 0.0000234400000000 ] - [ 0.0003656300000000, -0.0004359700000000, -0.0001189300000000 ] - [ -0.0005188700000000, 0.0000993400000000, -0.0002010700000000 ] - [ 0.0005687100000000, 0.0008807600000000, -0.0001475400000000 ] - [ -0.0004135600000000, -0.0004110600000000, -0.0001156500000000 ] - [ 0.0000133300000000, -0.0006639500000000, -0.0001915400000000 ] - [ -0.0004964700000000, 0.0009367700000000, -0.0001563500000000 ] - [ -0.0003265600000000, 0.0021482200000000, 0.0005055600000000 ] - [ -0.0001869300000000, -0.0001291000000000, 0.0001879400000000 ] - [ -0.0001017100000000, -0.0005055500000000, -0.0000868500000000 ] - [ 0.0010764100000000, 0.0024655800000000, 0.0016363500000000 ] - [ -0.0006986800000000, -0.0003878400000000, -0.0004527500000000 ] - [ -0.0004425200000000, -0.0002171300000000, 0.0008828500000000 ] - [ -0.0003651500000000, -0.0001605400000000, -0.0002729400000000 ] - [ 0.0000578200000000, -0.0001819400000000, -0.0005034000000000 ] - [ -0.0002113400000000, 0.0008390000000000, 0.0039691400000000 ] - [ 0.0079383300000000, -0.0072170700000000, -0.0029109700000000 ] - [ -0.0008468300000000, 0.0001332800000000, 0.0001991100000000 ] - [ 0.0004172600000000, -0.0023005600000000, -0.0011645800000000 ] - [ -0.0022548100000000, 0.0021647400000000, -0.0019717100000000 ] - [ -0.0000771900000000, -0.0000909200000000, 0.0000933100000000 ] - [ -0.0001996200000000, -0.0000168900000000, -0.0000999200000000 ] - [ 0.0014782500000000, -0.0004425400000000, 0.0006462600000000 ] - [ -0.0004902400000000, 0.0000493000000000, -0.0003629000000000 ] - [ -0.0003036400000000, -0.0000722800000000, 0.0009310700000000 ] - [ -0.0003392600000000, -0.0001373800000000, -0.0002236000000000 ] - [ 0.0003888400000000, 0.0003794500000000, -0.0002106400000000 ] - [ 0.0004346900000000, -0.0000972000000000, 0.0009615200000000 ] - [ 0.0014151600000000, -0.0000060200000000, -0.0007678500000000 ] - [ -0.0007837400000000, -0.0003635500000000, 0.0001980800000000 ] - [ 0.0002279700000000, 0.0006578600000000, -0.0001656700000000 ] - [ 0.0004011900000000, 0.0000983600000000, 0.0001251800000000 ] - [ 0.0000671600000000, -0.0008097900000000, 0.0001086500000000 ] - [ 0.0007036900000000, -0.0009597000000000, -0.0032631400000000 ] - [ 0.0007824100000000, 0.0001608900000000, 0.0001888600000000 ] - [ -0.0007973700000000, -0.0005542700000000, -0.0005615300000000 ] - [ -0.0003443900000000, -0.0003839900000000, 0.0009234500000000 ] - [ -0.0709963000000000, 0.1321051800000000, -0.1006890800000000 ] - [ 0.0002774000000000, -0.0002213700000000, -0.0002864300000000 ] - [ 0.0002785400000000, -0.0002772000000000, 0.0008853100000000 ] - [ 0.0005812200000000, -0.0003757400000000, -0.0004349300000000 ] - [ -0.0011993400000000, -0.0001815300000000, 0.0002383500000000 ] - [ 0.0000285400000000, -0.0005386700000000, -0.0000963200000000 ] - [ 0.0001125000000000, -0.0001444500000000, 0.0001807100000000 ] - [ -0.0003134400000000, 0.0003919400000000, 0.0002849700000000 ] - [ -0.0002316100000000, 0.0003312600000000, 0.0000042500000000 ] - [ 0.0007811900000000, -0.0003589400000000, 0.0001966700000000 ] - [ -0.0009619000000000, 0.0003506300000000, -0.0003731300000000 ] - [ -0.0005084900000000, 0.0009634700000000, 0.0002823500000000 ] - [ -0.0004518000000000, -0.0000287500000000, -0.0002501400000000 ] - [ 0.0003952800000000, -0.0000704100000000, -0.0002424600000000 ] - [ 0.0002610300000000, 0.0000459300000000, 0.0009183200000000 ] - [ 0.0005178400000000, 0.0001318300000000, -0.0003965500000000 ] - [ -0.0008537800000000, -0.0001573000000000, 0.0002057300000000 ] - [ 0.0001544600000000, 0.0001859000000000, -0.0000901700000000 ] - [ 0.0000823800000000, -0.0000252000000000, 0.0001253200000000 ] - [ -0.0000735600000000, -0.0001255400000000, 0.0001663600000000 ] - [ -0.0000406600000000, -0.0005055200000000, -0.0000919700000000 ] - [ 0.0010034800000000, 0.0004316300000000, 0.0002090200000000 ] - [ -0.0005217700000000, -0.0003164100000000, -0.0004236500000000 ] - [ -0.0001922300000000, -0.0001946400000000, 0.0008822700000000 ] - [ -0.0003348600000000, -0.0001428100000000, -0.0002776400000000 ] - [ 0.0004392100000000, -0.0000371500000000, -0.0002332800000000 ] - [ 0.0004395200000000, 0.0001310400000000, 0.0009324600000000 ] - [ 0.0007037200000000, -0.0000151800000000, -0.0004174300000000 ] - [ -0.0007619300000000, 0.0002231900000000, 0.0001904300000000 ] - [ 0.0001958100000000, -0.0001651400000000, -0.0000793200000000 ] - [ 0.0001897100000000, 0.0001010800000000, 0.0001033800000000 ] - [ -0.0000899900000000, -0.0000243600000000, 0.0001326800000000 ] - [ -0.0001314100000000, 0.0002561700000000, -0.0000918000000000 ] - [ 0.0008223300000000, -0.0001442400000000, 0.0001704400000000 ] - [ -0.0005439800000000, 0.0001224300000000, -0.0003977600000000 ] - [ -0.0003018700000000, -0.0000300500000000, 0.0009219700000000 ] - [ -0.0003954500000000, 0.0000162400000000, -0.0002667600000000 ] - [ 0.0012591900000000, 0.0004210400000000, -0.0005466500000000 ] - [ 0.0002734400000000, 0.0001019300000000, 0.0009490800000000 ] - [ 0.0000242900000000, 0.0001572000000000, -0.0002268200000000 ] - [ -0.0008362100000000, -0.0003516300000000, 0.0001957600000000 ] - [ -0.0005837500000000, 0.0002617300000000, 0.0001676000000000 ] - [ 0.0000858500000000, 0.0002537400000000, -0.0002482700000000 ] - [ -0.0000878700000000, -0.0000097600000000, 0.0001401000000000 ] - [ -0.0001456100000000, -0.0001455600000000, -0.0001014300000000 ] - [ 0.0008118300000000, 0.0001970200000000, 0.0001960200000000 ] - [ -0.0005072100000000, -0.0002292400000000, -0.0003870300000000 ] - [ -0.0002710600000000, -0.0001582600000000, 0.0009015000000000 ] - [ -0.0003045400000000, 0.0001129400000000, -0.0002285400000000 ] - [ 0.0003963100000000, -0.0000966200000000, -0.0002783800000000 ] - [ 0.0003074400000000, -0.0002192600000000, 0.0008944500000000 ] - [ 0.0006279800000000, -0.0003481100000000, -0.0004374500000000 ] - [ -0.0007105500000000, 0.0002451200000000, 0.0001968200000000 ] - [ 0.0001041600000000, -0.0004758600000000, -0.0000832000000000 ] - [ 0.0001459900000000, -0.0001224300000000, 0.0001694700000000 ] - [ 0.0000744400000000, 0.0000697900000000, 0.0001680900000000 ] - [ -0.0000084600000000, 0.0002839200000000, -0.0000906600000000 ] - [ 0.0008473000000000, -0.0003586400000000, 0.0001981400000000 ] - [ -0.0002164400000000, 0.0001933100000000, -0.0004306900000000 ] - [ -0.0000855500000000, 0.0003820900000000, 0.0009586500000000 ] - [ -0.0003044600000000, -0.0000645600000000, -0.0002526100000000 ] - [ 0.0003899600000000, -0.0000645000000000, -0.0002296800000000 ] - [ 0.0003727600000000, -0.0001349200000000, 0.0009112300000000 ] - [ 0.0005440200000000, 0.0000604900000000, -0.0003743500000000 ] - [ -0.0006224800000000, -0.0003942200000000, 0.0002027000000000 ] - [ 0.0001744600000000, 0.0001214600000000, -0.0000950900000000 ] - [ 0.0000922500000000, -0.0000834400000000, 0.0001162300000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0054945200000000, -0.0070903500000000, 0.0008025900000000 ] - [ 0.0007350100000000, 0.0000008500000000, -0.0004527800000000 ] - [ -0.0001260900000000, 0.0007025600000000, -0.0002967700000000 ] - [ 0.0039575600000000, 0.0002353300000000, -0.0003321800000000 ] - [ 0.0049060900000000, 0.0027686700000000, 0.0005449700000000 ] - [ -0.0007482100000000, 0.0002727200000000, -0.0004555000000000 ] - [ 0.0001223800000000, -0.0003295300000000, -0.0005770700000000 ] - [ -0.0071308300000000, -0.0018003900000000, -0.0039243300000000 ] - [ -0.0095298200000000, -0.0125256500000000, 0.0102956300000000 ] - [ -0.0050488700000000, 0.0009562500000000, 0.0036210900000000 ] - [ -0.0002102000000000, 0.0001651900000000, 0.0005737800000000 ] - [ -0.0017562800000000, -0.0010766400000000, -0.0062705400000000 ] - [ -0.0014973600000000, 0.0016025100000000, 0.0030638200000000 ] - [ -0.0029060000000000, 0.0041165600000000, -0.0016654000000000 ] - [ -0.0027686100000000, -0.0018668900000000, 0.0007895700000000 ] - [ -0.0010723200000000, -0.0007282700000000, 0.0004448900000000 ] - [ -0.0006940300000000, 0.0045716800000000, 0.0041408100000000 ] - [ -0.0008815600000000, -0.0010409200000000, -0.0016678900000000 ] - [ -0.0003270000000000, 0.0022059000000000, -0.0010263200000000 ] - [ -0.0001390000000000, -0.0005003900000000, 0.0005161400000000 ] - [ 0.0021261100000000, -0.0003894300000000, -0.0005497200000000 ] - [ 0.0003206200000000, -0.0006236800000000, -0.0003851400000000 ] - [ 0.0001356200000000, -0.0007994900000000, 0.0007091800000000 ] - [ 0.0000206900000000, 0.0000217500000000, -0.0003204100000000 ] - [ 0.0037600400000000, -0.0002941500000000, 0.0003668700000000 ] - [ 0.0010775000000000, 0.0000531100000000, 0.0003675800000000 ] - [ -0.0001102200000000, -0.0000110600000000, 0.0001524100000000 ] - [ 0.0008019800000000, -0.0001154900000000, -0.0000932800000000 ] - [ 0.0006516400000000, -0.0001023000000000, -0.0003778700000000 ] - [ 0.0009102900000000, -0.0002506100000000, 0.0007713200000000 ] - [ 0.0005937900000000, -0.0003249600000000, -0.0001259900000000 ] - [ -0.0000175600000000, 0.0001921400000000, 0.0003133100000000 ] - [ 0.0002674000000000, -0.0001479100000000, 0.0001219200000000 ] - [ 0.0000415000000000, 0.0002839800000000, -0.0001600400000000 ] - [ -0.0013457100000000, 0.0002980900000000, 0.0015759300000000 ] - [ -0.0001162500000000, -0.0002302400000000, -0.0006012200000000 ] - [ -0.0004135700000000, -0.0000644700000000, -0.0000546100000000 ] - [ 0.0002297700000000, -0.0002281400000000, 0.0002602900000000 ] - [ -0.0004417100000000, -0.0002387900000000, 0.0003248700000000 ] - [ -0.0005665500000000, 0.0001679900000000, 0.0000999800000000 ] - [ -0.0000180200000000, -0.0002971800000000, -0.0007036100000000 ] - [ -0.0000469900000000, 0.0001689200000000, 0.0003542400000000 ] - [ -0.0001754400000000, 0.0002599400000000, -0.0001399700000000 ] - [ -0.0005500100000000, 0.0002708600000000, -0.0002862700000000 ] - [ 0.0003244400000000, 0.0001482600000000, 0.0000759000000000 ] - [ 0.0002543500000000, 0.0011835800000000, 0.0005057700000000 ] - [ 0.0001871200000000, 0.0001822500000000, 0.0000015800000000 ] - [ 0.0000160900000000, 0.0012592900000000, -0.0020011000000000 ] - [ -0.0001095200000000, 0.0000503000000000, -0.0000240700000000 ] - [ 0.0004300900000000, 0.0004257100000000, 0.0003466100000000 ] - [ -0.0000072800000000, 0.0007582200000000, 0.0003965200000000 ] - [ 0.0009160400000000, 0.0004232100000000, -0.0000501200000000 ] - [ 0.0000807500000000, 0.0003542700000000, -0.0006561900000000 ] - [ 0.0000916200000000, -0.0001543300000000, 0.0004215600000000 ] - [ -0.0001010300000000, -0.0002395200000000, -0.0001301900000000 ] - [ -0.0000167300000000, 0.0003048500000000, 0.0004261000000000 ] - [ 0.0014320600000000, 0.0003808100000000, -0.0009319200000000 ] - [ 0.0007254300000000, 0.0003896500000000, -0.0002982800000000 ] - [ 0.0002193300000000, 0.0000918300000000, 0.0002237100000000 ] - [ 0.0003535100000000, -0.0000882500000000, -0.0005112700000000 ] - [ 0.0035321100000000, 0.0002050800000000, 0.0005799800000000 ] - [ 0.0014050000000000, -0.0016630300000000, 0.0009708500000000 ] - [ 0.0005939800000000, 0.0005548100000000, -0.0001408400000000 ] - [ 0.0014186800000000, -0.0001059100000000, -0.0001870700000000 ] - [ 0.0003938900000000, -0.0013575600000000, -0.0018512000000000 ] - [ 0.0014100200000000, 0.0007952200000000, 0.0011496500000000 ] - [ 0.0007079600000000, -0.0011254500000000, 0.0008112200000000 ] - [ -0.0001872700000000, 0.0002689100000000, 0.0000383400000000 ] - [ 0.0031563000000000, -0.0007957600000000, 0.0006127100000000 ] - [ 0.0000323000000000, 0.0000789400000000, 0.0000720800000000 ] - [ 0.0014884700000000, 0.0015739000000000, -0.0020551700000000 ] - [ -0.0000621100000000, 0.0005587900000000, -0.0009192900000000 ] - [ -0.0013756800000000, 0.0012417900000000, 0.0067898600000000 ] - [ 0.0082917800000000, 0.0119334100000000, 0.0053936300000000 ] - [ -0.0005349900000000, 0.0005908400000000, 0.0004207900000000 ] - [ -0.0003221900000000, 0.0005647400000000, -0.0000727100000000 ] - [ 0.0016754100000000, 0.0132804400000000, -0.0184461400000000 ] - [ 0.0023982800000000, -0.0060137300000000, 0.0041093600000000 ] - [ 0.0001850000000000, 0.0001313800000000, 0.0014860300000000 ] - [ -0.0009957500000000, 0.0000304500000000, -0.0003164700000000 ] - [ 0.0004173900000000, -0.0000953800000000, -0.0000256600000000 ] - [ 0.0003307900000000, 0.0004042300000000, -0.0002556600000000 ] - [ 0.0006099600000000, -0.0001896400000000, -0.0001368400000000 ] - [ 0.0000658500000000, -0.0002102800000000, -0.0005186900000000 ] - [ -0.0000575500000000, 0.0000211600000000, -0.0000369000000000 ] - [ 0.0003523100000000, -0.0001698700000000, 0.0002643500000000 ] - [ -0.0001622300000000, -0.0001753200000000, 0.0002151000000000 ] - [ 0.0008780400000000, -0.0001380100000000, -0.0001407100000000 ] - [ 0.0000544500000000, -0.0001069400000000, -0.0003429100000000 ] - [ 0.0000448300000000, 0.0001310300000000, 0.0004019400000000 ] - [ -0.0002316000000000, 0.0004664700000000, -0.0003156500000000 ] - [ -0.0001390400000000, -0.0004345000000000, 0.0003340400000000 ] - [ 0.0003271100000000, 0.0001887900000000, 0.0000908700000000 ] - [ 0.0006710100000000, -0.0010945700000000, -0.0006705100000000 ] - [ -0.0000962600000000, -0.0002969200000000, 0.0005537300000000 ] - [ -0.0000576000000000, -0.0005690900000000, 0.0004807800000000 ] - [ -0.0003697000000000, 0.0000631300000000, -0.0000661200000000 ] - [ 0.0002110200000000, 0.0001592200000000, 0.0002332500000000 ] - [ 0.0001157600000000, -0.0007134100000000, -0.0004791600000000 ] - [ -0.0001410700000000, -0.0003343900000000, -0.0000286900000000 ] - [ -0.0000292400000000, 0.0002253600000000, -0.0005573700000000 ] - [ -0.0001495000000000, -0.0000101200000000, 0.0002043400000000 ] - [ -0.0002596900000000, -0.0003252200000000, -0.0002158400000000 ] - [ -0.0007061600000000, 0.0000049400000000, -0.0002960600000000 ] - [ -0.3362340400000000, 0.0030558200000000, 0.0084464100000000 ] - [ -0.0000876300000000, -0.0038091800000000, -0.0006668000000000 ] - [ 0.0204403100000000, -0.0016544200000000, -0.0103720600000000 ] - [ 0.0031054000000000, -0.0000578400000000, 0.0000889300000000 ] - [ -0.0009409500000000, -0.0004692400000000, -0.0000952800000000 ] - [ -0.0000872400000000, 0.0033233100000000, 0.0003598800000000 ] - [ -0.0004311900000000, 0.0006372600000000, -0.0001233200000000 ] - [ 0.0021892700000000, 0.0014601500000000, -0.0001443300000000 ] - [ 0.0078654400000000, 0.0015744200000000, -0.0009118300000000 ] - [ 0.0015755600000000, 0.0027568400000000, 0.0000717200000000 ] - [ 0.0203302800000000, -0.0072609000000000, -0.0058152100000000 ] - [ -0.0061090900000000, 0.0047747500000000, -0.0004971600000000 ] - [ 0.0001195300000000, -0.0004262300000000, -0.0001411800000000 ] - [ 0.0015781500000000, -0.0029616500000000, -0.0002280000000000 ] - [ -0.0004283900000000, 0.0010747700000000, -0.0001835000000000 ] - [ -0.0011182600000000, -0.0002949600000000, -0.0000335400000000 ] - [ 0.0029255500000000, 0.0005527000000000, -0.0011720100000000 ] - [ 0.0012765000000000, -0.0005075700000000, -0.0003686600000000 ] - [ 0.0168600800000000, 0.0042567400000000, -0.0137717000000000 ] - [ 0.0031920700000000, 0.0022892700000000, 0.0019163700000000 ] - [ 0.0079753900000000, 0.0025798700000000, 0.0018930600000000 ] - [ 0.0000193500000000, 0.0000223900000000, -0.0003613800000000 ] - [ 0.0028811700000000, 0.0034152200000000, -0.0012742500000000 ] - [ 0.0020338600000000, -0.0046446800000000, -0.0012848000000000 ] - [ -0.0087167700000000, -0.0008903400000000, 0.0028692100000000 ] - [ -0.0003224900000000, 0.0019345200000000, -0.0001434500000000 ] - [ -0.0049283400000000, 0.0010260400000000, 0.0024889100000000 ] - [ 0.0001745400000000, -0.0012228900000000, 0.0044992400000000 ] - [ -0.0004932900000000, 0.0008070800000000, 0.0003720800000000 ] - [ 0.0000680900000000, 0.0028289000000000, 0.0002009800000000 ] - [ -0.0041194700000000, 0.0011625500000000, -0.0002510300000000 ] - [ -0.0013740700000000, 0.0009778200000000, -0.0007823300000000 ] - [ -0.0004897900000000, 0.0004430800000000, 0.0008617100000000 ] - [ -0.0016146300000000, 0.0011020400000000, -0.0008131400000000 ] - [ -0.0014027500000000, -0.0006312100000000, -0.0005347500000000 ] - [ -0.0015731600000000, 0.0012905300000000, 0.0008007100000000 ] - [ -0.0052474600000000, 0.0006305700000000, 0.0010862500000000 ] - [ -0.0015088100000000, -0.0001590700000000, 0.0001932000000000 ] - [ -0.0024776900000000, 0.0000300700000000, -0.0000211100000000 ] - [ -0.0033459700000000, -0.0000616900000000, 0.0000805600000000 ] - [ 0.0006394300000000, 0.0000797500000000, 0.0000236500000000 ] - [ 0.0009372200000000, 0.0003012800000000, -0.0006342500000000 ] - [ 0.0010312000000000, 0.0002542300000000, 0.0001959600000000 ] - [ 0.0006246700000000, -0.0000654900000000, -0.0000437700000000 ] - [ -0.0000094000000000, -0.0002380800000000, 0.0009061500000000 ] - [ 0.0035287600000000, -0.0029508500000000, 0.0002493000000000 ] - [ 0.0005588800000000, -0.0001495300000000, -0.0003240100000000 ] - [ 0.0005762300000000, 0.0003260600000000, 0.0009915800000000 ] - [ 0.0007428800000000, -0.0001901100000000, -0.0004064300000000 ] - [ -0.0001959400000000, -0.0003864900000000, 0.0000492900000000 ] - [ 0.0001455800000000, -0.0004895000000000, -0.0000753600000000 ] - [ 0.0001847400000000, -0.0000103100000000, 0.0001601800000000 ] - [ -0.0000368000000000, -0.0012356100000000, -0.0001623400000000 ] - [ -0.0005641700000000, -0.0011245300000000, -0.0001618500000000 ] - [ 0.0007270800000000, -0.0003538200000000, 0.0001779400000000 ] - [ -0.0007231600000000, -0.0012918600000000, 0.0000486100000000 ] - [ -0.0025393000000000, -0.0031351100000000, 0.0017902300000000 ] - [ -0.0005941700000000, -0.0003294500000000, -0.0000780100000000 ] - [ 0.0000823600000000, 0.0002225500000000, -0.0002099700000000 ] - [ 0.0000887000000000, -0.0000597200000000, 0.0008926500000000 ] - [ 0.0002688100000000, 0.0000378800000000, -0.0003533100000000 ] - [ -0.0017756100000000, -0.0007687100000000, 0.0001824400000000 ] - [ -0.0000602400000000, 0.0002836700000000, -0.0001368100000000 ] - [ -0.0000899000000000, -0.0000425600000000, 0.0001277500000000 ] - [ -0.0012883200000000, 0.0000039100000000, 0.0002609100000000 ] - [ -0.0007834500000000, -0.0002717100000000, -0.0000529500000000 ] - [ -0.0027501500000000, -0.0001693000000000, -0.0002209000000000 ] - [ -0.0023227300000000, -0.0007434400000000, -0.0005738000000000 ] - [ -0.0021686000000000, 0.0002162000000000, 0.0009222700000000 ] - [ -0.0007204700000000, -0.0001907600000000, -0.0002030600000000 ] - [ -0.0020414500000000, -0.0009008200000000, -0.0004920600000000 ] - [ -0.0010139100000000, 0.0016484700000000, 0.0011617300000000 ] - [ -0.0072413900000000, 0.0015824300000000, 0.0015858300000000 ] - [ -0.0020808800000000, -0.0006059200000000, 0.0002059100000000 ] - [ -0.0022288100000000, -0.0015827500000000, -0.0005109500000000 ] - [ -0.0045895300000000, 0.0014327500000000, -0.0004534600000000 ] - [ 0.0000794000000000, -0.0009385400000000, -0.0002464900000000 ] - [ -0.0017430600000000, -0.0027646600000000, 0.0006912600000000 ] - [ 0.0013246700000000, -0.0003159300000000, -0.0018192200000000 ] - [ 0.0002231200000000, -0.0006786200000000, -0.0000391100000000 ] - [ -0.0001179400000000, -0.0004569800000000, 0.0009686900000000 ] - [ -0.0052968800000000, -0.0076968000000000, -0.0020684000000000 ] - [ -0.0000270000000000, 0.0033720300000000, -0.0015843100000000 ] - [ -0.0003650900000000, -0.0102573400000000, 0.0124941000000000 ] - [ 0.1718766800000000, 0.0654076500000000, -0.0580651700000000 ] - [ 0.0002578000000000, -0.0006644500000000, 0.0003447900000000 ] - [ 0.0756886500000000, -0.0828636700000000, 0.0032395500000000 ] - [ 0.0587506800000000, 0.0122553700000000, 0.0498254700000000 ] - [ -0.0007698800000000, -0.0001526500000000, 0.0001092400000000 ] - [ -0.0010092300000000, -0.0003219000000000, 0.0001667200000000 ] - [ 0.0005672700000000, 0.0001689900000000, 0.0001881900000000 ] - [ -0.0015597200000000, -0.0003141300000000, -0.0006583500000000 ] - [ -0.0005463900000000, -0.0001025300000000, 0.0009103000000000 ] - [ -0.0020357600000000, 0.0010082400000000, -0.0005314600000000 ] - [ 0.0001785100000000, -0.0000625600000000, -0.0002376500000000 ] - [ 0.0000089800000000, -0.0007531200000000, 0.0008134800000000 ] - [ 0.0004383000000000, -0.0004452700000000, -0.0004579800000000 ] - [ -0.0013535100000000, 0.0006760900000000, 0.0002720800000000 ] - [ 0.0000217400000000, -0.0004240900000000, -0.0000968200000000 ] - [ 0.0000601900000000, -0.0001943600000000, 0.0001781900000000 ] - [ -0.0003879200000000, 0.0008995900000000, 0.0003268800000000 ] - [ 0.0000487400000000, 0.0012939600000000, -0.0000504500000000 ] - [ 0.0008872800000000, -0.0003033500000000, 0.0002092500000000 ] - [ -0.0009973300000000, 0.0018297800000000, -0.0006706500000000 ] - [ 0.0003717700000000, 0.0025275800000000, -0.0000050300000000 ] - [ -0.0002155600000000, 0.0002489400000000, -0.0003705600000000 ] - [ 0.0006929900000000, -0.0002838100000000, -0.0002761500000000 ] - [ 0.0004879000000000, 0.0001239800000000, 0.0009256600000000 ] - [ 0.0008049900000000, 0.0002568500000000, -0.0004440000000000 ] - [ -0.0000390300000000, 0.0004390900000000, 0.0001145200000000 ] - [ 0.0003413800000000, 0.0001646900000000, -0.0000455900000000 ] - [ 0.0002754500000000, 0.0000081800000000, 0.0001354500000000 ]- atom: 105 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0055236600000000, 0.0070437000000000, -0.0016978500000000 ] - [ -0.0007357000000000, -0.0000032900000000, -0.0004557300000000 ] - [ 0.0001222400000000, -0.0006995400000000, -0.0006121300000000 ] - [ -0.0039511600000000, -0.0002226700000000, -0.0005774400000000 ] - [ -0.0048915200000000, -0.0027923800000000, -0.0014663200000000 ] - [ 0.0007488700000000, -0.0002671000000000, -0.0004558500000000 ] - [ -0.0001187300000000, 0.0003311400000000, -0.0003317700000000 ] - [ 0.0071348300000000, 0.0017160600000000, 0.0029833100000000 ] - [ 0.0101451500000000, 0.0121551500000000, -0.0100817500000000 ] - [ 0.0054203400000000, -0.0002742100000000, -0.0040012300000000 ] - [ 0.0002336700000000, 0.0000669000000000, 0.0001238000000000 ] - [ 0.0017124300000000, 0.0006087800000000, 0.0051318700000000 ] - [ 0.0009215200000000, -0.0016668100000000, -0.0031209300000000 ] - [ 0.0034690000000000, -0.0045753800000000, 0.0021871300000000 ] - [ 0.0021518200000000, 0.0013846400000000, -0.0002447200000000 ] - [ 0.0015429100000000, 0.0006554300000000, -0.0005370200000000 ] - [ 0.0007227000000000, -0.0050259300000000, -0.0052396800000000 ] - [ 0.0008283300000000, 0.0012563000000000, 0.0023326800000000 ] - [ -0.0000624400000000, -0.0015571800000000, 0.0006346500000000 ] - [ -0.0005330800000000, 0.0002134500000000, -0.0003895400000000 ] - [ -0.0014537600000000, 0.0006742700000000, 0.0006853900000000 ] - [ 0.0000568100000000, -0.0000178800000000, -0.0000035500000000 ] - [ -0.0001143500000000, 0.0005656300000000, -0.0000121400000000 ] - [ -0.0000656000000000, 0.0004735300000000, -0.0008279300000000 ] - [ -0.0042232400000000, 0.0003738400000000, -0.0004573000000000 ] - [ -0.0004784700000000, 0.0004215500000000, 0.0001739600000000 ] - [ -0.0004928000000000, 0.0004950700000000, 0.0003933100000000 ] - [ -0.0003301800000000, 0.0001940500000000, 0.0000046300000000 ] - [ -0.0006070300000000, 0.0005907300000000, -0.0007636300000000 ] - [ -0.0009364100000000, 0.0000235800000000, -0.0000797300000000 ] - [ -0.0009733000000000, -0.0003217600000000, -0.0002656800000000 ] - [ -0.0006527900000000, 0.0000940500000000, -0.0001842400000000 ] - [ 0.0004016600000000, -0.0001401100000000, 0.0000088800000000 ] - [ 0.0003358500000000, 0.0003564900000000, -0.0002278600000000 ] - [ 0.0013653500000000, -0.0000736800000000, -0.0008771500000000 ] - [ 0.0000715600000000, -0.0002658900000000, -0.0005484400000000 ] - [ -0.0000642800000000, -0.0000149100000000, -0.0000348100000000 ] - [ 0.0003710400000000, -0.0002537400000000, 0.0002844600000000 ] - [ -0.0001619000000000, -0.0002459900000000, 0.0002213200000000 ] - [ 0.0010371700000000, -0.0002478100000000, -0.0001885800000000 ] - [ 0.0000614600000000, -0.0001966000000000, -0.0004435600000000 ] - [ 0.0000209900000000, 0.0000603900000000, 0.0003395200000000 ] - [ -0.0002042000000000, 0.0003831500000000, -0.0002497100000000 ] - [ -0.0001220400000000, -0.0005567200000000, 0.0004139900000000 ] - [ 0.0003440900000000, 0.0001403800000000, 0.0000555600000000 ] - [ 0.0001220200000000, -0.0018148000000000, -0.0008886400000000 ] - [ -0.0001617700000000, -0.0004101900000000, 0.0006912100000000 ] - [ -0.0000632500000000, -0.0007572000000000, 0.0008416400000000 ] - [ -0.0003675700000000, 0.0000295800000000, -0.0000651700000000 ] - [ 0.0001718900000000, 0.0000582500000000, 0.0001987100000000 ] - [ -0.0005967400000000, -0.0002697000000000, 0.0001505800000000 ] - [ -0.0004406800000000, -0.0003414800000000, -0.0000386200000000 ] - [ -0.0000366400000000, 0.0001416400000000, -0.0004930000000000 ] - [ -0.0001173200000000, -0.0000749000000000, 0.0002723000000000 ] - [ -0.0002772500000000, -0.0004017200000000, -0.0002581300000000 ] - [ -0.0006516600000000, -0.0000149900000000, -0.0002936800000000 ] - [ -0.0007625100000000, -0.0006691000000000, 0.0010623600000000 ] - [ -0.0003477000000000, 0.0002481000000000, -0.0000884400000000 ] - [ -0.0001934300000000, 0.0001362500000000, 0.0004691700000000 ] - [ -0.0003978600000000, -0.0004110400000000, -0.0006404600000000 ] - [ -0.0040154900000000, -0.0002845200000000, -0.0006718700000000 ] - [ -0.0008042500000000, 0.0011853000000000, -0.0004263500000000 ] - [ -0.0011974000000000, -0.0010437700000000, 0.0006880400000000 ] - [ -0.0009407700000000, 0.0000246700000000, 0.0000977000000000 ] - [ -0.0003489900000000, 0.0008689600000000, 0.0007091500000000 ] - [ -0.0014411100000000, -0.0005721000000000, -0.0004602900000000 ] - [ -0.0010880600000000, 0.0017778200000000, -0.0012073000000000 ] - [ -0.0004801800000000, -0.0005595600000000, 0.0000948600000000 ] - [ -0.0025076300000000, 0.0010955800000000, -0.0004928800000000 ] - [ 0.0003473100000000, -0.0007216700000000, -0.0004615200000000 ] - [ -0.0014647000000000, -0.0018070100000000, 0.0027655500000000 ] - [ 0.0000186200000000, -0.0000636000000000, -0.0002287700000000 ] - [ 0.0009610100000000, -0.0011628700000000, -0.0069555500000000 ] - [ -0.0077039400000000, -0.0115193600000000, -0.0048449200000000 ] - [ -0.0000662600000000, -0.0001069000000000, 0.0001245000000000 ] - [ 0.0008051000000000, -0.0004859800000000, -0.0000173200000000 ] - [ -0.0016835800000000, -0.0127912200000000, 0.0172899900000000 ] - [ -0.0023472300000000, 0.0057739100000000, -0.0033670300000000 ] - [ -0.0004970300000000, -0.0006962000000000, -0.0018183100000000 ] - [ 0.0003304600000000, 0.0002613800000000, 0.0004514500000000 ] - [ 0.0002518000000000, -0.0001928100000000, 0.0001567000000000 ] - [ 0.0000484800000000, 0.0002393600000000, -0.0001343200000000 ] - [ -0.0005847100000000, 0.0004216000000000, 0.0008330300000000 ] - [ -0.0001098400000000, -0.0002835500000000, -0.0006279600000000 ] - [ -0.0004174200000000, -0.0001007300000000, -0.0000520200000000 ] - [ 0.0002505800000000, -0.0003147400000000, 0.0002815700000000 ] - [ -0.0004387100000000, -0.0003063800000000, 0.0003294100000000 ] - [ -0.0003983500000000, 0.0000593500000000, 0.0000510000000000 ] - [ -0.0000099300000000, -0.0003886700000000, -0.0008059200000000 ] - [ -0.0000698400000000, 0.0000986000000000, 0.0002924500000000 ] - [ -0.0001461500000000, 0.0001752200000000, -0.0000727200000000 ] - [ -0.0005288000000000, 0.0001464400000000, -0.0002024100000000 ] - [ 0.0003424400000000, 0.0000994700000000, 0.0000396300000000 ] - [ -0.0002921300000000, 0.0004522400000000, 0.0002846300000000 ] - [ 0.0001228300000000, 0.0000680900000000, 0.0001391400000000 ] - [ 0.0000191000000000, 0.0010642600000000, -0.0016321600000000 ] - [ -0.0001062000000000, 0.0000164100000000, -0.0000231400000000 ] - [ 0.0003911300000000, 0.0003240400000000, 0.0003119800000000 ] - [ -0.0007107100000000, 0.0011895000000000, 0.0010208900000000 ] - [ 0.0006244500000000, 0.0004142200000000, -0.0000611500000000 ] - [ 0.0000733700000000, 0.0002694700000000, -0.0005900000000000 ] - [ 0.0001243500000000, -0.0002186600000000, 0.0004898300000000 ] - [ -0.0001192000000000, -0.0003170100000000, -0.0001734700000000 ] - [ 0.0000353200000000, 0.0002818900000000, 0.0004251300000000 ] - [ 0.3430895300000000, -0.0012603000000000, -0.0124091900000000 ] - [ 0.0009107300000000, 0.0025244900000000, 0.0004058900000000 ] - [ -0.0210594300000000, 0.0029341900000000, 0.0099658100000000 ] - [ -0.0022685900000000, 0.0013290000000000, -0.0003503700000000 ] - [ 0.0000969100000000, -0.0008170100000000, -0.0001668500000000 ] - [ 0.0009106600000000, -0.0045995300000000, -0.0006199700000000 ] - [ -0.0004152900000000, 0.0006537000000000, -0.0001385000000000 ] - [ -0.0013441100000000, -0.0001582900000000, -0.0001190700000000 ] - [ -0.0086891700000000, -0.0028575200000000, 0.0006442700000000 ] - [ -0.0007238600000000, -0.0040601400000000, -0.0003334000000000 ] - [ -0.0211699600000000, 0.0085991400000000, 0.0056312600000000 ] - [ 0.0069536900000000, -0.0034518900000000, 0.0002325600000000 ] - [ -0.0009611400000000, -0.0008597300000000, -0.0001209100000000 ] - [ -0.0007204600000000, 0.0016799500000000, -0.0000317600000000 ] - [ -0.0004121100000000, 0.0002144700000000, -0.0000786700000000 ] - [ 0.0019649300000000, 0.0015636400000000, -0.0002260200000000 ] - [ -0.0031434100000000, -0.0006420000000000, 0.0014699200000000 ] - [ -0.0014964900000000, -0.0001676900000000, 0.0001910400000000 ] - [ -0.0150772000000000, -0.0036029900000000, 0.0141512900000000 ] - [ -0.0043209700000000, -0.0027746600000000, -0.0027429900000000 ] - [ -0.0084739800000000, -0.0028775100000000, -0.0000946700000000 ] - [ -0.0007452300000000, -0.0001025800000000, -0.0001636800000000 ] - [ -0.0020992300000000, -0.0034892500000000, 0.0007656000000000 ] - [ -0.0014031000000000, 0.0044590300000000, 0.0030825500000000 ] - [ 0.0098950700000000, 0.0005574000000000, -0.0036964900000000 ] - [ -0.0012682800000000, -0.0014058000000000, 0.0005164700000000 ] - [ 0.0051359800000000, -0.0016833100000000, -0.0026427000000000 ] - [ 0.0000917000000000, 0.0011392200000000, -0.0041466300000000 ] - [ 0.0002839600000000, -0.0007291300000000, -0.0000705500000000 ] - [ -0.0002859200000000, -0.0021662600000000, -0.0003804400000000 ] - [ 0.0057007500000000, -0.0016850500000000, 0.0006193000000000 ] - [ 0.0002498500000000, -0.0005100400000000, -0.0000325100000000 ] - [ -0.0001101300000000, -0.0002697800000000, 0.0009604100000000 ] - [ 0.0008940200000000, -0.0010163100000000, 0.0002890400000000 ] - [ 0.0021284000000000, 0.0007001400000000, 0.0000104600000000 ] - [ 0.0021740600000000, -0.0011059200000000, 0.0010181600000000 ] - [ 0.0063569000000000, -0.0001551300000000, -0.0018941700000000 ] - [ -0.0000918800000000, -0.0003718100000000, 0.0001766200000000 ] - [ 0.0027004700000000, 0.0006245800000000, -0.0001546400000000 ] - [ 0.0035538900000000, 0.0001421600000000, 0.0002186300000000 ] - [ -0.0008504600000000, -0.0001526100000000, 0.0002718500000000 ] - [ -0.0011636000000000, -0.0009340700000000, 0.0004518500000000 ] - [ 0.0005733300000000, 0.0002789200000000, 0.0001743300000000 ] - [ -0.0017487900000000, -0.0003951200000000, -0.0007688600000000 ] - [ -0.0005893600000000, 0.0000656700000000, 0.0009163600000000 ] - [ -0.0042235900000000, 0.0028714600000000, -0.0007609800000000 ] - [ 0.0001710000000000, 0.0000724600000000, -0.0002002800000000 ] - [ 0.0000258000000000, -0.0005005900000000, 0.0008305900000000 ] - [ 0.0003925700000000, -0.0002795400000000, -0.0004113100000000 ] - [ -0.0014013600000000, 0.0009183400000000, 0.0003204700000000 ] - [ 0.0000823200000000, -0.0001683700000000, -0.0001022100000000 ] - [ 0.0000315900000000, -0.0000687300000000, 0.0001405800000000 ] - [ -0.0001715900000000, 0.0013067700000000, 0.0004583500000000 ] - [ 0.0003389100000000, 0.0017764500000000, -0.0000163800000000 ] - [ 0.0008774500000000, -0.0001817200000000, 0.0001920500000000 ] - [ -0.0004018200000000, 0.0017496300000000, -0.0008605700000000 ] - [ 0.0019324500000000, 0.0032907700000000, 0.0000393100000000 ] - [ -0.0001332000000000, 0.0004046900000000, -0.0004443400000000 ] - [ 0.0006465500000000, -0.0001450500000000, -0.0003125800000000 ] - [ 0.0005121500000000, 0.0002294500000000, 0.0009296400000000 ] - [ 0.0008647000000000, 0.0004281500000000, -0.0004641500000000 ] - [ 0.0001709400000000, 0.0002298900000000, 0.0001872900000000 ] - [ 0.0002872400000000, 0.0003730300000000, -0.0000413600000000 ] - [ 0.0003049000000000, 0.0001195800000000, 0.0001715900000000 ] - [ 0.0010745200000000, -0.0000770000000000, 0.0000382700000000 ] - [ 0.0005551400000000, -0.0003782000000000, -0.0001258600000000 ] - [ 0.0043562500000000, 0.0007010400000000, 0.0005927800000000 ] - [ 0.0011896100000000, 0.0002834800000000, -0.0002434100000000 ] - [ 0.0015655900000000, -0.0003804600000000, 0.0009007300000000 ] - [ -0.0000082800000000, 0.0001160600000000, -0.0003195200000000 ] - [ 0.0027721200000000, 0.0008335400000000, -0.0000287400000000 ] - [ 0.0016108700000000, -0.0018342300000000, 0.0006613300000000 ] - [ 0.0083335100000000, -0.0020509000000000, -0.0023947300000000 ] - [ 0.0004742900000000, 0.0011446900000000, 0.0001650700000000 ] - [ 0.0024481900000000, 0.0009181800000000, 0.0003270200000000 ] - [ 0.0048185400000000, -0.0015198200000000, 0.0007345200000000 ] - [ -0.0002992100000000, 0.0010189600000000, 0.0005456700000000 ] - [ 0.0015140000000000, 0.0034289900000000, -0.0008729600000000 ] - [ 0.0002229100000000, -0.0002243700000000, 0.0022069100000000 ] - [ -0.0013653100000000, 0.0011470200000000, -0.0007805700000000 ] - [ -0.0004851800000000, 0.0006290200000000, 0.0008533300000000 ] - [ 0.0045578100000000, 0.0077812200000000, 0.0015298200000000 ] - [ 0.0007016500000000, -0.0032702000000000, 0.0010242100000000 ] - [ 0.0009327000000000, 0.0103581100000000, -0.0106855800000000 ] - [ -0.1785176600000000, -0.0698095800000000, 0.0616167500000000 ] - [ -0.0018684100000000, 0.0001269300000000, 0.0000270900000000 ] - [ -0.0757123400000000, 0.0854913000000000, -0.0033775800000000 ] - [ -0.0584922100000000, -0.0123937000000000, -0.0502842800000000 ] - [ 0.0005520200000000, 0.0000712400000000, 0.0001918000000000 ] - [ 0.0007822300000000, -0.0003416700000000, -0.0003446000000000 ] - [ 0.0010353200000000, 0.0003649300000000, 0.0001821400000000 ] - [ 0.0004214000000000, -0.0001571100000000, -0.0001605900000000 ] - [ -0.0000554100000000, -0.0000731200000000, 0.0009113700000000 ] - [ 0.0013065300000000, -0.0010915000000000, 0.0000054700000000 ] - [ 0.0005471800000000, -0.0000153900000000, -0.0002843700000000 ] - [ 0.0005901200000000, 0.0005811900000000, 0.0010085800000000 ] - [ 0.0006922300000000, -0.0000217800000000, -0.0003583600000000 ] - [ -0.0002539600000000, -0.0001427900000000, 0.0000977700000000 ] - [ 0.0002044500000000, -0.0002332800000000, -0.0000816100000000 ] - [ 0.0001533800000000, 0.0001158700000000, 0.0001213400000000 ] - [ 0.0001662100000000, -0.0008222300000000, -0.0000269800000000 ] - [ -0.0002799000000000, -0.0006383100000000, -0.0001274700000000 ] - [ 0.0007151400000000, -0.0002311700000000, 0.0001606500000000 ] - [ -0.0001488700000000, -0.0013562400000000, -0.0001456100000000 ] - [ -0.0009907800000000, -0.0023644800000000, 0.0018266800000000 ] - [ -0.0005143000000000, -0.0001716400000000, -0.0001529100000000 ] - [ 0.0000335900000000, 0.0003593400000000, -0.0002470500000000 ] - [ 0.0001117000000000, 0.0000513700000000, 0.0008958900000000 ] - [ 0.0003274600000000, 0.0002106600000000, -0.0003731300000000 ] - [ -0.0015703100000000, -0.0009634300000000, 0.0002556600000000 ] - [ -0.0001141600000000, 0.0004907200000000, -0.0001328600000000 ] - [ -0.0000604300000000, 0.0000699900000000, 0.0001641900000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0117449200000000, -0.0038496100000000, -0.0006272900000000 ] - [ -0.0000376300000000, 0.0018145800000000, -0.0003008400000000 ] - [ 0.0004817600000000, 0.0029054100000000, -0.0005007200000000 ] - [ 0.0009193100000000, -0.0013599600000000, -0.0007099400000000 ] - [ 0.0045351300000000, -0.0020027600000000, 0.0008777100000000 ] - [ 0.0001752100000000, 0.0040958900000000, -0.0006504900000000 ] - [ -0.0006237000000000, 0.0026294900000000, -0.0004689600000000 ] - [ -0.0006464200000000, 0.0153023600000000, 0.0100368600000000 ] - [ -0.0108929100000000, -0.0135821400000000, 0.0109481900000000 ] - [ 0.0025360100000000, 0.0092949100000000, -0.0066411900000000 ] - [ -0.0005802600000000, 0.0013604500000000, 0.0015106600000000 ] - [ 0.0000216200000000, 0.0067212000000000, 0.0101417800000000 ] - [ 0.0036481000000000, -0.0009830600000000, -0.0012035600000000 ] - [ 0.0028730100000000, 0.0004971300000000, -0.0006873600000000 ] - [ -0.0014897200000000, -0.0000662300000000, 0.0001663500000000 ] - [ -0.0012090500000000, 0.0017877200000000, -0.0006016400000000 ] - [ 0.0033127700000000, 0.0010797100000000, -0.0005031100000000 ] - [ -0.0023550700000000, -0.0035752000000000, -0.0023105600000000 ] - [ 0.0013228400000000, -0.0011573800000000, 0.0010113900000000 ] - [ -0.0011707400000000, 0.0005301600000000, -0.0012973500000000 ] - [ 0.0015023900000000, -0.0019569500000000, -0.0016361000000000 ] - [ -0.0002387700000000, 0.0005445100000000, 0.0003588600000000 ] - [ -0.0007374700000000, -0.0006502300000000, 0.0009175900000000 ] - [ -0.0001810200000000, 0.0010307900000000, -0.0014207000000000 ] - [ 0.0005964800000000, -0.0002345300000000, 0.0000357400000000 ] - [ -0.0003702400000000, -0.0013325500000000, -0.0002754900000000 ] - [ -0.0007532500000000, 0.0011327600000000, 0.0006222300000000 ] - [ -0.0007009400000000, 0.0000978700000000, 0.0001216900000000 ] - [ 0.0000439100000000, -0.0009637900000000, 0.0006076300000000 ] - [ 0.0005685600000000, -0.0008078800000000, 0.0011215700000000 ] - [ -0.0003472700000000, -0.0013550300000000, -0.0008030300000000 ] - [ -0.0004049300000000, 0.0000980300000000, 0.0000155600000000 ] - [ 0.0005438600000000, 0.0004285800000000, -0.0003621700000000 ] - [ 0.0006119600000000, 0.0015363700000000, -0.0009945300000000 ] - [ 0.0000775600000000, 0.0025986900000000, 0.0010527300000000 ] - [ 0.0000494400000000, 0.0008872900000000, 0.0006955700000000 ] - [ -0.0002171000000000, 0.0003758900000000, -0.0000456300000000 ] - [ -0.0001998400000000, 0.0009636500000000, -0.0001642300000000 ] - [ 0.0002403300000000, 0.0010148000000000, -0.0002094800000000 ] - [ 0.0008079200000000, 0.0005450300000000, -0.0001106000000000 ] - [ -0.0000742300000000, 0.0007149600000000, 0.0003749500000000 ] - [ 0.0003640300000000, 0.0009067200000000, 0.0011252100000000 ] - [ -0.0005293800000000, 0.0012306700000000, -0.0007906900000000 ] - [ -0.0001070100000000, 0.0002162600000000, 0.0000184500000000 ] - [ 0.0001577500000000, 0.0006352200000000, 0.0004273000000000 ] - [ 0.0009187700000000, 0.0000150200000000, -0.0003395100000000 ] - [ 0.0004359200000000, 0.0005859700000000, -0.0004020500000000 ] - [ 0.0003944800000000, 0.0003583600000000, -0.0004834500000000 ] - [ -0.0002940400000000, 0.0003331900000000, -0.0000477000000000 ] - [ 0.0006172500000000, 0.0010960700000000, 0.0005686900000000 ] - [ 0.0003642600000000, -0.0000411700000000, 0.0001211400000000 ] - [ 0.0011730500000000, 0.0002238800000000, -0.0001996800000000 ] - [ 0.0000615700000000, 0.0009565500000000, -0.0012650700000000 ] - [ -0.0002850400000000, 0.0004650600000000, -0.0002420500000000 ] - [ 0.0000015600000000, 0.0003682300000000, 0.0002335000000000 ] - [ -0.0002078200000000, 0.0003395000000000, 0.0002535300000000 ] - [ 0.0004142100000000, -0.0006179100000000, 0.0003291300000000 ] - [ 0.0001568000000000, -0.0001558500000000, 0.0000979300000000 ] - [ -0.0000458600000000, 0.0004369100000000, 0.0005911500000000 ] - [ 0.0000038000000000, -0.0007296000000000, -0.0011280300000000 ] - [ -0.0003637200000000, -0.0004507300000000, -0.0001576000000000 ] - [ 0.0004550200000000, -0.0013799900000000, 0.0007896000000000 ] - [ -0.0001055800000000, -0.0005464800000000, 0.0002905100000000 ] - [ 0.0009011700000000, -0.0001783100000000, -0.0000839400000000 ] - [ -0.0003936700000000, -0.0015392300000000, -0.0019073800000000 ] - [ 0.0004684100000000, -0.0006617200000000, -0.0003441500000000 ] - [ -0.0006360000000000, -0.0008092600000000, 0.0004552500000000 ] - [ 0.0000501800000000, 0.0000717700000000, 0.0002950200000000 ] - [ 0.0001273600000000, -0.0024041600000000, -0.0013998700000000 ] - [ 0.0001920700000000, 0.0004083100000000, 0.0002600100000000 ] - [ 0.0013332600000000, 0.0007879100000000, -0.0017165800000000 ] - [ 0.0000956800000000, 0.0010829100000000, -0.0013910200000000 ] - [ 0.0058169600000000, -0.0037015400000000, 0.0004259700000000 ] - [ 0.0078333700000000, 0.0054221200000000, 0.0014021700000000 ] - [ -0.0003918900000000, 0.0011809700000000, 0.0005123500000000 ] - [ 0.0016814700000000, 0.0006092900000000, -0.0002558800000000 ] - [ 0.0039514400000000, 0.0052448800000000, -0.0069350300000000 ] - [ -0.0106752000000000, 0.0109897200000000, -0.0165984600000000 ] - [ -0.0005139600000000, -0.0033447700000000, 0.0002808900000000 ] - [ 0.0004408400000000, 0.0016645600000000, 0.0010797900000000 ] - [ 0.0004609300000000, 0.0002509000000000, -0.0002242200000000 ] - [ 0.0003161300000000, 0.0008574400000000, -0.0005378300000000 ] - [ 0.0000865900000000, -0.0000709800000000, 0.0002160100000000 ] - [ -0.0000231500000000, 0.0003464400000000, 0.0000367000000000 ] - [ -0.0001359300000000, 0.0002665000000000, -0.0000462600000000 ] - [ 0.0001463900000000, 0.0004605000000000, 0.0000382200000000 ] - [ -0.0001545500000000, 0.0004259500000000, 0.0000630300000000 ] - [ -0.0001929300000000, 0.0000795400000000, -0.0000437300000000 ] - [ 0.0000622900000000, 0.0004656400000000, 0.0002082600000000 ] - [ 0.0001853400000000, 0.0007431300000000, 0.0009282600000000 ] - [ -0.0003308600000000, 0.0010780300000000, -0.0006580000000000 ] - [ -0.0007854800000000, 0.0002989200000000, -0.0004829100000000 ] - [ 0.0001848400000000, 0.0006102400000000, 0.0004130900000000 ] - [ -0.0004624900000000, 0.0002285800000000, 0.0001440000000000 ] - [ 0.0000877500000000, 0.0005271900000000, -0.0001509400000000 ] - [ -0.0008161600000000, 0.0017239800000000, -0.0006334800000000 ] - [ -0.0003142200000000, 0.0004764100000000, -0.0000332900000000 ] - [ 0.0005984100000000, 0.0012555700000000, 0.0006174800000000 ] - [ -0.0019133600000000, 0.0029865000000000, 0.0017807000000000 ] - [ -0.0010517700000000, 0.0003702700000000, 0.0000270900000000 ] - [ 0.0000311900000000, 0.0012218400000000, -0.0017187700000000 ] - [ -0.0002975200000000, 0.0007387100000000, -0.0004172900000000 ] - [ 0.0001297000000000, 0.0006842100000000, 0.0004862300000000 ] - [ -0.0000834700000000, 0.0009400600000000, 0.0005729100000000 ] - [ 0.0060877700000000, -0.4048101500000000, -0.0003219800000000 ] - [ -0.0035346000000000, 0.0041550800000000, 0.0005453600000000 ] - [ 0.0075268600000000, -0.0190798300000000, -0.0033367100000000 ] - [ -0.0002674600000000, 0.0001288400000000, -0.0001420100000000 ] - [ -0.0002429800000000, 0.0043622700000000, 0.0003179100000000 ] - [ 0.0035895400000000, 0.0041705400000000, 0.0004142700000000 ] - [ -0.0008443300000000, 0.0047642800000000, -0.0004505600000000 ] - [ 0.0012297000000000, 0.0021911900000000, -0.0002236300000000 ] - [ 0.0018263900000000, -0.0042879600000000, -0.0011923600000000 ] - [ 0.0027310400000000, 0.0016015300000000, 0.0000938000000000 ] - [ 0.0020000300000000, -0.0191384600000000, 0.0032141500000000 ] - [ 0.0044913800000000, 0.0078152800000000, -0.0020126900000000 ] - [ -0.0001986700000000, 0.0026912900000000, 0.0001435400000000 ] - [ -0.0029962400000000, 0.0015783900000000, -0.0002927700000000 ] - [ -0.0004100500000000, 0.0047655100000000, -0.0005064800000000 ] - [ -0.0005200800000000, 0.0084010400000000, -0.0008922700000000 ] - [ -0.0021738300000000, -0.0046595000000000, 0.0032282400000000 ] - [ 0.0006451400000000, -0.0050860300000000, 0.0005155200000000 ] - [ 0.0031344300000000, 0.0183007700000000, -0.0075653400000000 ] - [ -0.0012916100000000, -0.0054356000000000, -0.0047265300000000 ] - [ 0.0060977900000000, 0.0019714600000000, 0.0008833600000000 ] - [ 0.0002900000000000, -0.0020656800000000, -0.0007795700000000 ] - [ 0.0049920300000000, 0.0034478200000000, 0.0033332200000000 ] - [ -0.0042730100000000, -0.0024518600000000, -0.0006962300000000 ] - [ -0.0100571200000000, 0.0114420100000000, 0.0019856000000000 ] - [ 0.0020191900000000, -0.0019825300000000, 0.0008904800000000 ] - [ 0.0064316800000000, 0.0114666800000000, -0.0009879700000000 ] - [ -0.0033973600000000, 0.0033677800000000, 0.0006183200000000 ] - [ 0.0013526700000000, -0.0011164000000000, 0.0002565200000000 ] - [ 0.0015382300000000, -0.0004940800000000, -0.0008218700000000 ] - [ -0.0000766500000000, 0.0034681100000000, 0.0003280500000000 ] - [ 0.0014183500000000, -0.0012108800000000, 0.0002005900000000 ] - [ -0.0000521000000000, -0.0016314000000000, 0.0011150600000000 ] - [ 0.0013264900000000, 0.0014769900000000, 0.0000427500000000 ] - [ -0.0008053700000000, 0.0008711700000000, -0.0006020000000000 ] - [ 0.0010013500000000, 0.0019499300000000, 0.0003903900000000 ] - [ -0.0009853800000000, 0.0031997100000000, 0.0001293800000000 ] - [ -0.0001613000000000, -0.0005319100000000, 0.0000577800000000 ] - [ -0.0014341700000000, 0.0024216100000000, 0.0000981400000000 ] - [ -0.0002354000000000, 0.0013643000000000, 0.0006624300000000 ] - [ -0.0007421300000000, -0.0021842800000000, 0.0011422500000000 ] - [ 0.0013546300000000, -0.0063390000000000, 0.0002389900000000 ] - [ 0.0007276000000000, -0.0011574600000000, 0.0001312700000000 ] - [ -0.0020907100000000, -0.0030525600000000, -0.0012688500000000 ] - [ -0.0004172200000000, -0.0025381500000000, 0.0005916300000000 ] - [ -0.0027507200000000, -0.0024565100000000, -0.0006268500000000 ] - [ -0.0001769500000000, -0.0017379400000000, -0.0004692900000000 ] - [ 0.0005692800000000, -0.0020671300000000, 0.0007202000000000 ] - [ 0.0012810000000000, -0.0022063400000000, -0.0007346200000000 ] - [ -0.0015023900000000, -0.0010063400000000, 0.0001415000000000 ] - [ -0.0005678500000000, -0.0027670400000000, -0.0000975500000000 ] - [ 0.0004967400000000, -0.0013100600000000, 0.0005550600000000 ] - [ -0.0011786800000000, -0.0008397900000000, 0.0001373000000000 ] - [ -0.0013683600000000, -0.0018295100000000, -0.0000286900000000 ] - [ 0.0008813800000000, -0.0013892600000000, 0.0002171600000000 ] - [ -0.0019952400000000, -0.0003065300000000, -0.0006169700000000 ] - [ -0.0017429400000000, 0.0006185400000000, 0.0009856900000000 ] - [ -0.0008646000000000, -0.0012191700000000, 0.0000500600000000 ] - [ 0.0007953800000000, -0.0011606400000000, -0.0000981600000000 ] - [ 0.0001931400000000, -0.0013062800000000, 0.0010599100000000 ] - [ 0.0001292500000000, -0.0012325400000000, -0.0001854500000000 ] - [ -0.0015621700000000, -0.0004541500000000, 0.0002896200000000 ] - [ 0.0006325900000000, -0.0014866200000000, -0.0000860900000000 ] - [ -0.0001307200000000, -0.0009418400000000, -0.0001348800000000 ] - [ -0.0002297000000000, 0.0002448000000000, 0.0001677200000000 ] - [ -0.0000040500000000, -0.0007999000000000, -0.0001264400000000 ] - [ 0.0007470400000000, 0.0013610200000000, 0.0002571500000000 ] - [ -0.0009483500000000, 0.0002683200000000, -0.0003535800000000 ] - [ -0.0011687800000000, 0.0015416400000000, 0.0010534100000000 ] - [ -0.0003745600000000, -0.0009447000000000, -0.0002857600000000 ] - [ -0.0007942000000000, 0.0011850300000000, 0.0002535200000000 ] - [ 0.0010630300000000, 0.0016317600000000, 0.0012451200000000 ] - [ -0.0027586700000000, 0.0029650400000000, 0.0006492900000000 ] - [ -0.0018606700000000, 0.0001893800000000, 0.0001478100000000 ] - [ -0.0006427400000000, 0.0044302600000000, 0.0003146400000000 ] - [ 0.0008624800000000, 0.0034572900000000, -0.0015638400000000 ] - [ -0.0010384500000000, -0.0008833900000000, -0.0000588200000000 ] - [ -0.0019807100000000, -0.0010393700000000, 0.0006871900000000 ] - [ -0.0038029400000000, 0.0039238200000000, -0.0008885400000000 ] - [ -0.0018409600000000, -0.0013285900000000, -0.0005525300000000 ] - [ -0.0007728900000000, -0.0019373500000000, 0.0011272500000000 ] - [ -0.0054458700000000, -0.0025525500000000, -0.0003233200000000 ] - [ 0.0078004600000000, -0.0062038700000000, 0.0081195700000000 ] - [ -0.0010273900000000, -0.0004008800000000, 0.0055624700000000 ] - [ 0.0744989500000000, 0.0780278200000000, -0.0349899500000000 ] - [ -0.0021036800000000, -0.0025438600000000, 0.0002268400000000 ] - [ -0.0979756500000000, 0.2448975000000000, 0.0001111700000000 ] - [ 0.0137190300000000, 0.0470103300000000, 0.0299096600000000 ] - [ -0.0001840700000000, -0.0005584800000000, 0.0002340100000000 ] - [ -0.0001678800000000, -0.0004270800000000, 0.0000045900000000 ] - [ 0.0006781300000000, -0.0006567500000000, 0.0001600600000000 ] - [ -0.0004792600000000, -0.0012590200000000, -0.0004338200000000 ] - [ -0.0001217500000000, -0.0015183300000000, 0.0007391800000000 ] - [ -0.0004163900000000, 0.0008958000000000, -0.0004580700000000 ] - [ 0.0003042300000000, -0.0011866100000000, -0.0005362500000000 ] - [ -0.0000260700000000, -0.0017540500000000, 0.0006715400000000 ] - [ 0.0009161700000000, -0.0017259000000000, -0.0007106600000000 ] - [ -0.0000994900000000, -0.0006185000000000, 0.0002133300000000 ] - [ -0.0004267600000000, -0.0024837900000000, -0.0000404000000000 ] - [ 0.0002948900000000, -0.0011664100000000, 0.0004504500000000 ] - [ 0.0014988500000000, -0.0009090700000000, -0.0002401500000000 ] - [ 0.0001044500000000, -0.0016507100000000, -0.0001204600000000 ] - [ 0.0009411000000000, -0.0014517100000000, 0.0002179300000000 ] - [ 0.0022337200000000, -0.0022151000000000, -0.0002747300000000 ] - [ 0.0042342400000000, 0.0010960600000000, -0.0001472500000000 ] - [ -0.0003222600000000, -0.0014855600000000, -0.0000954800000000 ] - [ 0.0003962200000000, -0.0015727600000000, 0.0001613300000000 ] - [ 0.0005952600000000, -0.0024700900000000, 0.0012520300000000 ] - [ -0.0000601600000000, -0.0017878400000000, 0.0000587800000000 ] - [ 0.0003777000000000, -0.0028085500000000, 0.0002861600000000 ] - [ 0.0008197800000000, -0.0025325900000000, -0.0001548600000000 ] - [ -0.0002359300000000, -0.0014190300000000, -0.0003012300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0118500400000000, 0.0038785200000000, -0.0002697000000000 ] - [ 0.0000416400000000, -0.0018158600000000, -0.0006147600000000 ] - [ -0.0004793900000000, -0.0029103500000000, -0.0004132600000000 ] - [ -0.0009047600000000, 0.0013478500000000, -0.0002031000000000 ] - [ -0.0045352800000000, 0.0020647100000000, -0.0018058400000000 ] - [ -0.0001796300000000, -0.0041109500000000, -0.0002626100000000 ] - [ 0.0006214200000000, -0.0026382700000000, -0.0004453200000000 ] - [ 0.0005928200000000, -0.0152046300000000, -0.0108629400000000 ] - [ 0.0114660700000000, 0.0132013600000000, -0.0106827300000000 ] - [ -0.0021847700000000, -0.0088238600000000, 0.0063571300000000 ] - [ 0.0006076400000000, -0.0011366600000000, -0.0008208200000000 ] - [ -0.0000542200000000, -0.0073653200000000, -0.0114397400000000 ] - [ -0.0041596000000000, 0.0009027000000000, 0.0010976700000000 ] - [ -0.0022524000000000, -0.0009786800000000, 0.0012179800000000 ] - [ 0.0008940500000000, -0.0004125100000000, 0.0003818200000000 ] - [ 0.0016891000000000, -0.0018820600000000, 0.0005158500000000 ] - [ -0.0032350000000000, -0.0015700900000000, -0.0006499300000000 ] - [ 0.0023326400000000, 0.0038328100000000, 0.0030177900000000 ] - [ -0.0016980100000000, 0.0017819300000000, -0.0013895000000000 ] - [ 0.0005094400000000, -0.0008231600000000, 0.0014404200000000 ] - [ -0.0008395800000000, 0.0022473700000000, 0.0017703300000000 ] - [ 0.0006193500000000, -0.0011895100000000, -0.0007505400000000 ] - [ 0.0007681900000000, 0.0004254500000000, -0.0002297100000000 ] - [ 0.0001381100000000, -0.0005377400000000, 0.0002736500000000 ] - [ -0.0010610100000000, 0.0003146200000000, -0.0001247500000000 ] - [ 0.0009794700000000, 0.0018283100000000, 0.0008243700000000 ] - [ 0.0001536700000000, -0.0006516700000000, -0.0000792200000000 ] - [ 0.0011845800000000, -0.0000178500000000, -0.0002134300000000 ] - [ 0.0000021800000000, 0.0014672900000000, -0.0017655300000000 ] - [ -0.0005900000000000, 0.0005759900000000, -0.0004247100000000 ] - [ -0.0000254800000000, 0.0007220400000000, 0.0004193300000000 ] - [ -0.0002615300000000, 0.0001928900000000, 0.0001177700000000 ] - [ 0.0001244100000000, -0.0007182500000000, 0.0004938700000000 ] - [ -0.0002347100000000, -0.0008962700000000, 0.0006061900000000 ] - [ -0.0000529500000000, -0.0023573900000000, -0.0003585000000000 ] - [ -0.0000939100000000, -0.0013844500000000, -0.0018473600000000 ] - [ -0.0002573100000000, -0.0004566000000000, -0.0000446800000000 ] - [ 0.0008045600000000, -0.0014528900000000, 0.0007109300000000 ] - [ -0.0008433100000000, -0.0015009100000000, 0.0007547400000000 ] - [ -0.0003333500000000, -0.0006241000000000, 0.0000203400000000 ] - [ 0.0001188700000000, -0.0012140800000000, -0.0015286000000000 ] - [ -0.0003898700000000, -0.0006788100000000, -0.0004332000000000 ] - [ 0.0001528900000000, -0.0005923400000000, 0.0004034800000000 ] - [ -0.0005606700000000, -0.0005051800000000, 0.0001129800000000 ] - [ 0.0005122900000000, -0.0003484100000000, -0.0002984900000000 ] - [ -0.0005379700000000, -0.0006613500000000, -0.0000529800000000 ] - [ -0.0004097600000000, -0.0008161600000000, 0.0010954000000000 ] - [ -0.0004359700000000, 0.0001345100000000, -0.0006618200000000 ] - [ -0.0001786800000000, -0.0002545900000000, -0.0000425200000000 ] - [ -0.0000149300000000, -0.0006135400000000, -0.0000246100000000 ] - [ -0.0009628600000000, 0.0005216500000000, 0.0004216600000000 ] - [ -0.0006939500000000, -0.0001449600000000, 0.0001084300000000 ] - [ -0.0000171300000000, -0.0004626500000000, 0.0001172900000000 ] - [ 0.0002609300000000, -0.0006959400000000, 0.0009373800000000 ] - [ -0.0003799700000000, -0.0010116200000000, -0.0006243000000000 ] - [ -0.0004607700000000, -0.0000528700000000, -0.0001237000000000 ] - [ 0.0002604300000000, 0.0003341600000000, -0.0002038600000000 ] - [ 0.0002251200000000, 0.0008037800000000, -0.0004921300000000 ] - [ 0.0000716100000000, -0.0002068700000000, 0.0001026700000000 ] - [ -0.0000461200000000, 0.0002416600000000, -0.0000150500000000 ] - [ -0.0000846100000000, 0.0003738800000000, 0.0000718600000000 ] - [ 0.0001563200000000, 0.0008782700000000, -0.0002359100000000 ] - [ -0.0004919900000000, 0.0000735600000000, 0.0002502500000000 ] - [ -0.0004257200000000, 0.0001010600000000, -0.0000068800000000 ] - [ 0.0004388900000000, 0.0010273300000000, 0.0007383700000000 ] - [ -0.0004821700000000, 0.0009072800000000, 0.0010559300000000 ] - [ 0.0002624600000000, 0.0014356400000000, -0.0008341400000000 ] - [ -0.0007225700000000, -0.0003575000000000, -0.0001686500000000 ] - [ 0.0005514200000000, 0.0026827900000000, 0.0015276400000000 ] - [ 0.0001837600000000, -0.0010490500000000, -0.0006488500000000 ] - [ -0.0013128100000000, -0.0010152600000000, 0.0024194000000000 ] - [ -0.0001411700000000, -0.0005874800000000, 0.0002406700000000 ] - [ -0.0061959100000000, 0.0037843800000000, -0.0004857600000000 ] - [ -0.0072922800000000, -0.0048908400000000, -0.0008445400000000 ] - [ -0.0002127600000000, -0.0006969300000000, 0.0000329800000000 ] - [ -0.0012211700000000, -0.0005303400000000, 0.0001670300000000 ] - [ -0.0039571400000000, -0.0046719500000000, 0.0057656400000000 ] - [ 0.0105846600000000, -0.0111613300000000, 0.0172328900000000 ] - [ 0.0001555400000000, 0.0027991900000000, -0.0006496200000000 ] - [ -0.0011177200000000, -0.0013875700000000, -0.0009581500000000 ] - [ 0.0002082300000000, -0.0005399700000000, 0.0003548500000000 ] - [ 0.0000615500000000, -0.0002187700000000, 0.0001500700000000 ] - [ -0.0000564600000000, 0.0002944900000000, 0.0004707000000000 ] - [ -0.0000209200000000, -0.0008450300000000, -0.0011895200000000 ] - [ -0.0003386900000000, -0.0003465300000000, -0.0000441900000000 ] - [ 0.0004559100000000, -0.0009456800000000, 0.0005067200000000 ] - [ -0.0004485900000000, -0.0009131500000000, 0.0004823900000000 ] - [ 0.0006687900000000, -0.0001611700000000, -0.0000471300000000 ] - [ -0.0000183800000000, -0.0009624700000000, -0.0013592700000000 ] - [ -0.0002119100000000, -0.0005157000000000, -0.0002369000000000 ] - [ -0.0000474900000000, -0.0004378500000000, 0.0002690900000000 ] - [ 0.0001164500000000, -0.0005896900000000, 0.0006142500000000 ] - [ 0.0004841300000000, -0.0003227600000000, -0.0002831900000000 ] - [ 0.0008373900000000, -0.0008756600000000, -0.0005355800000000 ] - [ -0.0000641300000000, -0.0007593500000000, 0.0008472300000000 ] - [ 0.0007725800000000, -0.0012345500000000, -0.0005090500000000 ] - [ -0.0001618500000000, -0.0003976300000000, -0.0000572700000000 ] - [ 0.0000025500000000, -0.0007740300000000, -0.0000739900000000 ] - [ 0.0013036400000000, -0.0024927600000000, -0.0012238000000000 ] - [ 0.0015186100000000, -0.0002935300000000, -0.0001173000000000 ] - [ 0.0000127300000000, -0.0007278600000000, 0.0005697100000000 ] - [ 0.0002719300000000, -0.0009702000000000, 0.0011121400000000 ] - [ -0.0005082500000000, -0.0013273400000000, -0.0008764100000000 ] - [ -0.0005868800000000, -0.0006525700000000, -0.0004443100000000 ] - [ 0.0015801700000000, 0.3906840200000000, -0.0013927100000000 ] - [ 0.0043902700000000, -0.0054736600000000, -0.0008118000000000 ] - [ -0.0083345300000000, 0.0203976500000000, 0.0030495300000000 ] - [ 0.0011209600000000, 0.0011775800000000, -0.0001189400000000 ] - [ -0.0005922000000000, -0.0056646300000000, -0.0005794300000000 ] - [ -0.0027447700000000, -0.0054573700000000, -0.0006743200000000 ] - [ 0.0000149700000000, -0.0034850300000000, 0.0001908600000000 ] - [ -0.0003881200000000, -0.0009177900000000, -0.0000356200000000 ] - [ -0.0026064800000000, 0.0030302700000000, 0.0009237800000000 ] - [ -0.0019102900000000, -0.0028721500000000, -0.0003530700000000 ] - [ -0.0025906200000000, 0.0203392400000000, -0.0035032600000000 ] - [ -0.0037346600000000, -0.0065310200000000, 0.0017740100000000 ] - [ -0.0006335700000000, -0.0039896800000000, -0.0004048500000000 ] - [ 0.0038220700000000, -0.0028940300000000, 0.0000281900000000 ] - [ -0.0004276800000000, -0.0034834800000000, 0.0002469400000000 ] - [ 0.0013396100000000, -0.0071036800000000, 0.0006319500000000 ] - [ 0.0019912000000000, 0.0046302300000000, -0.0029743800000000 ] - [ -0.0008632400000000, 0.0044518300000000, -0.0007011000000000 ] - [ -0.0014808700000000, -0.0176180400000000, 0.0079008000000000 ] - [ 0.0001830300000000, 0.0050110700000000, 0.0039655000000000 ] - [ -0.0066321500000000, -0.0027350000000000, 0.0008226800000000 ] - [ -0.0010137300000000, 0.0019986900000000, 0.0002682500000000 ] - [ -0.0042831600000000, -0.0035753700000000, -0.0038789600000000 ] - [ 0.0048471500000000, 0.0022795300000000, 0.0024962500000000 ] - [ 0.0112409600000000, -0.0117381100000000, -0.0028322800000000 ] - [ -0.0036411300000000, 0.0025295300000000, -0.0005335200000000 ] - [ -0.0062403200000000, -0.0121915700000000, 0.0008191200000000 ] - [ 0.0036342600000000, -0.0034459000000000, -0.0003145100000000 ] - [ -0.0015791600000000, 0.0012003600000000, 0.0000433300000000 ] - [ -0.0017775400000000, 0.0011542100000000, 0.0006509800000000 ] - [ 0.0016729300000000, -0.0040097200000000, 0.0000356100000000 ] - [ -0.0025624700000000, 0.0016880900000000, -0.0010196600000000 ] - [ -0.0005556000000000, 0.0018046700000000, 0.0007011700000000 ] - [ -0.0020626600000000, -0.0014120100000000, -0.0005583200000000 ] - [ 0.0015203500000000, -0.0007905400000000, 0.0000893000000000 ] - [ -0.0004087900000000, -0.0017944800000000, 0.0014292500000000 ] - [ 0.0020903400000000, -0.0027426900000000, -0.0009371600000000 ] - [ -0.0014498200000000, 0.0000009900000000, 0.0003086400000000 ] - [ 0.0016469000000000, -0.0017708100000000, -0.0002754000000000 ] - [ 0.0004378900000000, -0.0012945200000000, -0.0003607900000000 ] - [ 0.0005280100000000, 0.0021069000000000, -0.0008387200000000 ] - [ -0.0015712700000000, 0.0056644300000000, -0.0004180100000000 ] - [ 0.0008765900000000, 0.0016903900000000, 0.0002338100000000 ] - [ 0.0009621000000000, 0.0025834500000000, 0.0004539000000000 ] - [ -0.0001866400000000, 0.0023737600000000, 0.0012256700000000 ] - [ 0.0020218000000000, 0.0023762400000000, 0.0001204100000000 ] - [ 0.0009000500000000, 0.0016634300000000, -0.0000427200000000 ] - [ 0.0000332400000000, 0.0019073500000000, 0.0010973600000000 ] - [ -0.0001535700000000, 0.0017415000000000, -0.0000792700000000 ] - [ -0.0001018100000000, 0.0015349800000000, 0.0002239400000000 ] - [ 0.0007951800000000, 0.0021191900000000, -0.0000806000000000 ] - [ -0.0002818700000000, 0.0012362200000000, -0.0002526800000000 ] - [ 0.0009563100000000, 0.0009194200000000, 0.0001675500000000 ] - [ 0.0011404600000000, 0.0024857400000000, -0.0001482700000000 ] - [ 0.0007198000000000, 0.0008638500000000, 0.0001478300000000 ] - [ 0.0008565100000000, 0.0007821400000000, -0.0002006400000000 ] - [ 0.0011403100000000, -0.0004402900000000, 0.0008271300000000 ] - [ 0.0001408000000000, 0.0012979400000000, -0.0005621900000000 ] - [ -0.0000767200000000, 0.0012406900000000, -0.0004145400000000 ] - [ 0.0004094900000000, 0.0014794800000000, 0.0007560600000000 ] - [ 0.0010000300000000, 0.0017071700000000, -0.0006299100000000 ] - [ -0.0000457100000000, -0.0000689800000000, 0.0000770200000000 ] - [ -0.0004095100000000, 0.0021446800000000, -0.0000924300000000 ] - [ 0.0003461700000000, 0.0010220200000000, 0.0004380100000000 ] - [ 0.0000067400000000, -0.0003291600000000, 0.0001372500000000 ] - [ -0.0002242800000000, 0.0001415700000000, -0.0000509100000000 ] - [ 0.0008343000000000, -0.0008360900000000, 0.0001053300000000 ] - [ -0.0001911200000000, -0.0007538800000000, -0.0004635800000000 ] - [ 0.0005568400000000, -0.0017259400000000, 0.0007630200000000 ] - [ -0.0003483800000000, 0.0008688000000000, -0.0002275300000000 ] - [ 0.0015068300000000, -0.0012844200000000, -0.0007747000000000 ] - [ -0.0004619800000000, -0.0017745000000000, 0.0005768400000000 ] - [ 0.0037718900000000, -0.0033960700000000, -0.0014357700000000 ] - [ 0.0002592800000000, 0.0003290100000000, 0.0002179500000000 ] - [ 0.0008165900000000, -0.0051235300000000, -0.0004907100000000 ] - [ -0.0006883900000000, -0.0035115800000000, 0.0018421200000000 ] - [ 0.0008322200000000, 0.0009577500000000, 0.0003585900000000 ] - [ 0.0017587400000000, 0.0016751200000000, -0.0008707000000000 ] - [ 0.0053362400000000, -0.0044669300000000, 0.0012437900000000 ] - [ 0.0007271000000000, 0.0017987600000000, -0.0002576500000000 ] - [ 0.0001725800000000, 0.0021089400000000, 0.0006894000000000 ] - [ 0.0047512300000000, 0.0025868600000000, -0.0001975400000000 ] - [ -0.0070643600000000, 0.0062824900000000, -0.0086368500000000 ] - [ 0.0016286400000000, 0.0004424700000000, -0.0037417100000000 ] - [ -0.0756270700000000, -0.0778308000000000, 0.0352882800000000 ] - [ 0.0005154800000000, 0.0020255000000000, 0.0001402600000000 ] - [ 0.0918321100000000, -0.2310945800000000, -0.0000645700000000 ] - [ -0.0134453100000000, -0.0465263500000000, -0.0294211000000000 ] - [ -0.0000335800000000, 0.0004858500000000, 0.0000678400000000 ] - [ -0.0000653200000000, -0.0002120900000000, -0.0001815900000000 ] - [ 0.0009241200000000, 0.0011870200000000, 0.0002052000000000 ] - [ -0.0006518700000000, 0.0007934900000000, -0.0003804500000000 ] - [ -0.0004835600000000, 0.0013554800000000, 0.0010789900000000 ] - [ -0.0003161800000000, -0.0009551100000000, -0.0000564200000000 ] - [ 0.0004183500000000, 0.0011140900000000, 0.0000241800000000 ] - [ 0.0006310200000000, 0.0015869000000000, 0.0011453800000000 ] - [ 0.0002140000000000, 0.0012572900000000, -0.0001037600000000 ] - [ -0.0015036900000000, 0.0011520800000000, 0.0001528000000000 ] - [ 0.0006549400000000, 0.0018350500000000, -0.0001376000000000 ] - [ -0.0000783800000000, 0.0010909600000000, -0.0001483600000000 ] - [ -0.0017127800000000, 0.0009945200000000, 0.0005460100000000 ] - [ -0.0003256100000000, 0.0023138800000000, -0.0000567600000000 ] - [ 0.0006632100000000, 0.0009252700000000, 0.0001468700000000 ] - [ -0.0033571400000000, 0.0026927900000000, -0.0005447700000000 ] - [ -0.0048201600000000, -0.0008985600000000, 0.0019617900000000 ] - [ -0.0003975700000000, 0.0015650500000000, -0.0004185000000000 ] - [ 0.0003288300000000, 0.0016523600000000, -0.0006758800000000 ] - [ 0.0000106300000000, 0.0026397100000000, 0.0005652800000000 ] - [ 0.0011940800000000, 0.0022632000000000, -0.0008750300000000 ] - [ -0.0019717700000000, 0.0022795900000000, 0.0000788900000000 ] - [ -0.0005940800000000, 0.0031942000000000, -0.0000224000000000 ] - [ 0.0004546900000000, 0.0014995800000000, 0.0006050700000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002073200000000, -0.0006118600000000, -0.0022817100000000 ] - [ -0.0000528200000000, 0.0001510900000000, -0.0004440900000000 ] - [ 0.0000434300000000, 0.0002387400000000, -0.0004587300000000 ] - [ -0.0002862900000000, -0.0001711000000000, -0.0005165000000000 ] - [ 0.0014087200000000, 0.0015943300000000, -0.0000918600000000 ] - [ 0.0000868100000000, 0.0003739400000000, -0.0005196400000000 ] - [ -0.0000575200000000, 0.0002322100000000, -0.0004561900000000 ] - [ -0.0025889400000000, 0.0091346400000000, 0.0002761300000000 ] - [ -0.0161341200000000, -0.0197184700000000, 0.0447145500000000 ] - [ 0.0025431700000000, -0.0018696000000000, -0.0016945600000000 ] - [ -0.0000472800000000, 0.0002320300000000, 0.0005086200000000 ] - [ -0.0022187400000000, 0.0042123800000000, -0.0013965700000000 ] - [ 0.0120176300000000, -0.0005259200000000, 0.0011230100000000 ] - [ 0.0005878100000000, -0.0013847400000000, 0.0016480500000000 ] - [ -0.0014902400000000, -0.0004648300000000, 0.0012302600000000 ] - [ 0.0001490500000000, 0.0001301000000000, -0.0001744700000000 ] - [ 0.0011256100000000, -0.0010252500000000, -0.0032154600000000 ] - [ -0.0006839200000000, 0.0011694800000000, 0.0028057700000000 ] - [ 0.0009640500000000, 0.0005985500000000, 0.0000492100000000 ] - [ -0.0004007400000000, -0.0001339700000000, -0.0000599900000000 ] - [ 0.0010910200000000, 0.0001911000000000, -0.0000973800000000 ] - [ 0.0001430600000000, -0.0002336800000000, -0.0001371200000000 ] - [ 0.0000262800000000, -0.0001862400000000, 0.0005199500000000 ] - [ -0.0000391900000000, 0.0003303600000000, -0.0006695700000000 ] - [ -0.0001232800000000, -0.0000829200000000, 0.0000476800000000 ] - [ 0.0002781000000000, 0.0002178900000000, 0.0003399900000000 ] - [ -0.0003542100000000, 0.0003361700000000, 0.0003135200000000 ] - [ 0.0001192800000000, 0.0000404500000000, -0.0000225300000000 ] - [ -0.0000886200000000, 0.0002282500000000, -0.0005428100000000 ] - [ 0.0000024700000000, -0.0001278800000000, 0.0003840700000000 ] - [ -0.0002329200000000, -0.0004302200000000, -0.0002810200000000 ] - [ -0.0003537900000000, 0.0001333200000000, 0.0000543800000000 ] - [ 0.0003573800000000, -0.0000921300000000, 0.0000234500000000 ] - [ 0.0002332000000000, 0.0004317400000000, -0.0002660300000000 ] - [ -0.0000967100000000, -0.0000538500000000, 0.0002870100000000 ] - [ -0.0000121800000000, -0.0001446200000000, -0.0004594000000000 ] - [ -0.0002289300000000, 0.0000007700000000, -0.0000450700000000 ] - [ 0.0002540800000000, -0.0001256600000000, 0.0002343600000000 ] - [ -0.0002473100000000, -0.0001289100000000, 0.0002266600000000 ] - [ 0.0003182100000000, -0.0000063800000000, -0.0000582100000000 ] - [ 0.0000090800000000, -0.0001516200000000, -0.0004771600000000 ] - [ 0.0000218800000000, 0.0001848600000000, 0.0004163500000000 ] - [ -0.0002229900000000, 0.0004105900000000, -0.0002565500000000 ] - [ -0.0003078200000000, -0.0001534800000000, 0.0000652000000000 ] - [ 0.0003175000000000, 0.0001896700000000, 0.0000989600000000 ] - [ 0.0002003800000000, -0.0005981900000000, -0.0003495900000000 ] - [ 0.0000471800000000, -0.0000616100000000, 0.0002779300000000 ] - [ 0.0001067500000000, 0.0001950400000000, -0.0002515300000000 ] - [ -0.0002511200000000, 0.0000659000000000, -0.0000465500000000 ] - [ 0.0003246500000000, 0.0003117700000000, 0.0002950100000000 ] - [ -0.0002236500000000, 0.0001748800000000, 0.0002270500000000 ] - [ 0.0003034700000000, 0.0000118700000000, -0.0000738400000000 ] - [ 0.0000242400000000, 0.0003072300000000, -0.0006320000000000 ] - [ -0.0000438800000000, -0.0000610200000000, 0.0002905000000000 ] - [ -0.0001759500000000, -0.0002640200000000, -0.0001591700000000 ] - [ -0.0003443200000000, 0.0001541600000000, 0.0000512000000000 ] - [ 0.0002558000000000, -0.0002087600000000, 0.0000876200000000 ] - [ 0.0001635800000000, 0.0003097900000000, -0.0001618000000000 ] - [ -0.0000072600000000, 0.0001430600000000, 0.0003758700000000 ] - [ -0.0000608700000000, -0.0003009100000000, -0.0005977000000000 ] - [ -0.0003687400000000, -0.0001608400000000, -0.0001896700000000 ] - [ 0.0002156000000000, -0.0001012500000000, 0.0001151100000000 ] - [ -0.0003643900000000, -0.0002727700000000, 0.0003281600000000 ] - [ 0.0002140100000000, -0.0000361000000000, -0.0000296900000000 ] - [ 0.0000841000000000, -0.0001598000000000, -0.0002314300000000 ] - [ -0.0003472700000000, 0.0000156200000000, -0.0000460400000000 ] - [ -0.0001603400000000, 0.0002643800000000, -0.0003383300000000 ] - [ -0.0003735300000000, -0.0002214800000000, 0.0000512500000000 ] - [ 0.0020153500000000, -0.0011452000000000, -0.0033580600000000 ] - [ 0.0002088700000000, -0.0002989500000000, -0.0001856600000000 ] - [ -0.0005273000000000, -0.0007489500000000, 0.0005981500000000 ] - [ -0.0000025000000000, 0.0002998100000000, -0.0006205100000000 ] - [ 0.0250693700000000, -0.0007494100000000, 0.0087306200000000 ] - [ -0.0012268800000000, -0.0057275600000000, -0.0085707000000000 ] - [ -0.0002856500000000, 0.0002972100000000, 0.0002858600000000 ] - [ 0.0004413000000000, -0.0000341900000000, -0.0000518600000000 ] - [ -0.0042263900000000, -0.0077725100000000, 0.0104909400000000 ] - [ 0.0003355900000000, -0.0054088500000000, -0.0039101200000000 ] - [ 0.0087403400000000, 0.0146444700000000, 0.0161629300000000 ] - [ -0.0001895300000000, 0.0002068400000000, 0.0001599700000000 ] - [ 0.0003411400000000, -0.0001121300000000, 0.0000451900000000 ] - [ 0.0001960700000000, 0.0003643000000000, -0.0002228900000000 ] - [ -0.0000373600000000, 0.0001547100000000, 0.0003893300000000 ] - [ -0.0000249600000000, -0.0001986900000000, -0.0005240100000000 ] - [ -0.0002368600000000, -0.0000180000000000, -0.0000449600000000 ] - [ 0.0002858000000000, -0.0001887400000000, 0.0002531600000000 ] - [ -0.0002931300000000, -0.0001876600000000, 0.0002566200000000 ] - [ 0.0001810000000000, -0.0000171000000000, -0.0000383900000000 ] - [ 0.0000227000000000, -0.0001994400000000, -0.0005252200000000 ] - [ 0.0000013900000000, 0.0001665100000000, 0.0003932900000000 ] - [ -0.0001939000000000, 0.0003767500000000, -0.0002240900000000 ] - [ -0.0003765400000000, -0.0000906900000000, 0.0000165800000000 ] - [ 0.0003238500000000, 0.0001806700000000, 0.0000920000000000 ] - [ 0.0000512000000000, -0.0001582200000000, -0.0000480400000000 ] - [ 0.0000171800000000, -0.0000541300000000, 0.0003030500000000 ] - [ -0.0000799300000000, 0.0003681800000000, -0.0008733500000000 ] - [ -0.0002346800000000, 0.0000766300000000, -0.0000425200000000 ] - [ 0.0003311800000000, 0.0003339900000000, 0.0003044400000000 ] - [ -0.0002577000000000, 0.0004770200000000, -0.0003706500000000 ] - [ 0.0001038000000000, 0.0000466800000000, -0.0000057200000000 ] - [ 0.0000243900000000, 0.0003342100000000, -0.0006748400000000 ] - [ -0.0000257000000000, -0.0000420600000000, 0.0002912400000000 ] - [ -0.0001590100000000, -0.0002313100000000, -0.0001348400000000 ] - [ -0.0002611200000000, 0.0001808000000000, 0.0001739400000000 ] - [ 0.0127884200000000, 0.0020880200000000, -0.3223444900000000 ] - [ -0.0000794500000000, -0.0001015100000000, -0.0001049300000000 ] - [ -0.0061207500000000, -0.0027098800000000, 0.0057599200000000 ] - [ 0.0001978100000000, 0.0006544700000000, -0.0001646400000000 ] - [ -0.0003786900000000, -0.0001920600000000, -0.0000899100000000 ] - [ 0.0009531600000000, 0.0000465400000000, -0.0001054800000000 ] - [ -0.0004674200000000, 0.0010242300000000, -0.0001594800000000 ] - [ 0.0004304400000000, 0.0007404300000000, -0.0001148000000000 ] - [ -0.0011777200000000, -0.0017020000000000, 0.0004251500000000 ] - [ 0.0005146600000000, -0.0008002000000000, -0.0000572200000000 ] - [ -0.0105368400000000, 0.0038122300000000, 0.0056692900000000 ] - [ 0.0007737900000000, 0.0025369800000000, 0.0003249500000000 ] - [ -0.0004230400000000, -0.0003677500000000, -0.0001068400000000 ] - [ 0.0002112700000000, -0.0004238300000000, -0.0000576600000000 ] - [ -0.0004066200000000, 0.0009686500000000, -0.0001595700000000 ] - [ 0.0003147700000000, 0.0014080600000000, -0.0002542700000000 ] - [ -0.0004048100000000, -0.0003478300000000, 0.0002189400000000 ] - [ 0.0000301700000000, -0.0009788900000000, -0.0001259000000000 ] - [ -0.0015623300000000, 0.0103497000000000, -0.0182521400000000 ] - [ -0.0001601800000000, -0.0010488100000000, -0.0009661700000000 ] - [ 0.0003170200000000, -0.0009239200000000, 0.0093497600000000 ] - [ -0.0003074500000000, -0.0002308300000000, -0.0003373300000000 ] - [ -0.0002975900000000, 0.0016064100000000, -0.0032873300000000 ] - [ -0.0014529200000000, -0.0008053200000000, 0.0023167800000000 ] - [ 0.0028711900000000, -0.0012428100000000, 0.0030881600000000 ] - [ -0.0005492400000000, 0.0000890400000000, 0.0004093500000000 ] - [ 0.0040531400000000, 0.0009557900000000, -0.0003060600000000 ] - [ -0.0061202300000000, 0.0008297100000000, -0.0045467700000000 ] - [ 0.0000526300000000, -0.0000764300000000, 0.0001198600000000 ] - [ 0.0000406500000000, 0.0001513600000000, -0.0002007000000000 ] - [ 0.0005019100000000, -0.0000608800000000, 0.0005293500000000 ] - [ -0.0002907600000000, 0.0000642300000000, -0.0003167500000000 ] - [ -0.0002655000000000, -0.0000842500000000, 0.0009342000000000 ] - [ -0.0004734400000000, 0.0001569700000000, -0.0002898800000000 ] - [ 0.0003716200000000, 0.0001325200000000, -0.0001833200000000 ] - [ 0.0004826000000000, 0.0001218800000000, 0.0009816700000000 ] - [ 0.0015690700000000, 0.0003422700000000, -0.0008631800000000 ] - [ -0.0007084400000000, -0.0002795700000000, 0.0001705200000000 ] - [ 0.0002938300000000, 0.0006600600000000, -0.0002373400000000 ] - [ 0.0001600500000000, 0.0001917900000000, 0.0000328000000000 ] - [ -0.0001956100000000, -0.0002433000000000, 0.0002402000000000 ] - [ -0.0000331900000000, -0.0009978400000000, 0.0001516000000000 ] - [ 0.0007839000000000, 0.0001339800000000, 0.0001778800000000 ] - [ -0.0007123700000000, -0.0004904800000000, -0.0004834200000000 ] - [ -0.0003221700000000, -0.0002987700000000, 0.0008791000000000 ] - [ -0.0005879100000000, -0.0002148600000000, -0.0013195100000000 ] - [ 0.0003066600000000, -0.0001872900000000, -0.0002742200000000 ] - [ 0.0003241200000000, -0.0002956300000000, 0.0008905300000000 ] - [ 0.0006293700000000, -0.0004229400000000, -0.0004407000000000 ] - [ -0.0008815700000000, 0.0001936300000000, 0.0001609500000000 ] - [ 0.0000514200000000, -0.0005474300000000, -0.0000898400000000 ] - [ 0.0001451200000000, -0.0001593700000000, 0.0001897900000000 ] - [ -0.0002826900000000, 0.0000435000000000, 0.0002965400000000 ] - [ -0.0002700600000000, 0.0001540600000000, -0.0000528900000000 ] - [ 0.0008152300000000, -0.0003634500000000, 0.0001860600000000 ] - [ -0.0007970100000000, 0.0002799200000000, -0.0005647100000000 ] - [ -0.0001265600000000, 0.0006736700000000, 0.0005136600000000 ] - [ -0.0004005600000000, -0.0000607300000000, -0.0002274500000000 ] - [ 0.0004200400000000, -0.0000778500000000, -0.0002478700000000 ] - [ 0.0002970500000000, -0.0000356500000000, 0.0009200000000000 ] - [ 0.0005418800000000, 0.0001123200000000, -0.0003905700000000 ] - [ -0.0008086600000000, -0.0002286200000000, 0.0002082600000000 ] - [ 0.0001682700000000, 0.0001731000000000, -0.0000863800000000 ] - [ 0.0000972000000000, -0.0000432900000000, 0.0001250800000000 ] - [ -0.0000443100000000, -0.0000256500000000, 0.0001362000000000 ] - [ -0.0000535400000000, -0.0003755100000000, -0.0000931000000000 ] - [ 0.0009696100000000, 0.0004050900000000, 0.0002413200000000 ] - [ -0.0004988800000000, -0.0001942900000000, -0.0003851500000000 ] - [ -0.0002919100000000, 0.0000554700000000, 0.0008133900000000 ] - [ -0.0003396700000000, -0.0001029500000000, -0.0002630100000000 ] - [ 0.0004002200000000, -0.0001134500000000, 0.0000609100000000 ] - [ 0.0003433900000000, -0.0001182000000000, 0.0007952700000000 ] - [ 0.0031210700000000, -0.0003016100000000, -0.0011439000000000 ] - [ -0.0007514400000000, 0.0002399100000000, 0.0002488600000000 ] - [ 0.0014686200000000, -0.0000555100000000, -0.0016870300000000 ] - [ 0.0001458900000000, 0.0003096700000000, 0.0021939500000000 ] - [ -0.0001777400000000, 0.0000779600000000, 0.0001047600000000 ] - [ -0.0001536000000000, 0.0004552000000000, -0.0003972600000000 ] - [ -0.0152546600000000, 0.0008142600000000, -0.0042198400000000 ] - [ -0.0008351700000000, 0.0001913400000000, -0.0005038200000000 ] - [ -0.0003701200000000, -0.0000502500000000, 0.0009297800000000 ] - [ 0.0016978500000000, 0.0045841300000000, 0.0048068400000000 ] - [ 0.0016617200000000, 0.0007763100000000, 0.0027377200000000 ] - [ -0.0040482700000000, -0.0047838500000000, -0.0134376600000000 ] - [ -0.0677473000000000, -0.0342044000000000, 0.0596799200000000 ] - [ -0.0010600800000000, -0.0003536900000000, 0.0002851700000000 ] - [ 0.0025153000000000, 0.0029775500000000, 0.0352838300000000 ] - [ 0.0597816800000000, 0.0318878700000000, 0.1755702800000000 ] - [ -0.0000889900000000, -0.0000783000000000, 0.0001651800000000 ] - [ -0.0000548400000000, -0.0003436600000000, -0.0001227800000000 ] - [ 0.0008030500000000, 0.0001915900000000, 0.0001806500000000 ] - [ -0.0005362700000000, -0.0003164200000000, -0.0004051000000000 ] - [ -0.0002776200000000, -0.0002046000000000, 0.0008946800000000 ] - [ -0.0002124100000000, -0.0001287100000000, -0.0001724500000000 ] - [ 0.0003633300000000, -0.0001335400000000, -0.0002811500000000 ] - [ 0.0002880300000000, -0.0001749400000000, 0.0008881000000000 ] - [ 0.0005961200000000, -0.0003447900000000, -0.0004265200000000 ] - [ -0.0007394900000000, 0.0001731200000000, 0.0001818800000000 ] - [ 0.0000702400000000, -0.0005027000000000, -0.0000849200000000 ] - [ 0.0001222100000000, -0.0001234500000000, 0.0001726200000000 ] - [ 0.0000532900000000, -0.0000764300000000, 0.0000428700000000 ] - [ -0.0001051300000000, 0.0001432400000000, -0.0001081800000000 ] - [ 0.0008058300000000, -0.0003628800000000, 0.0001839500000000 ] - [ -0.0004652000000000, 0.0001459000000000, -0.0001641200000000 ] - [ -0.0002462600000000, -0.0002264600000000, 0.0014335600000000 ] - [ -0.0003588000000000, -0.0001048800000000, -0.0002428900000000 ] - [ 0.0003319900000000, -0.0000828600000000, -0.0002196200000000 ] - [ 0.0003215300000000, -0.0001388000000000, 0.0009386300000000 ] - [ 0.0004941800000000, 0.0000535400000000, -0.0003625500000000 ] - [ -0.0006720400000000, -0.0006603400000000, 0.0000220300000000 ] - [ 0.0001615200000000, 0.0000690000000000, -0.0000995800000000 ] - [ 0.0000686300000000, -0.0000905600000000, 0.0001099100000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001832600000000, 0.0005942200000000, 0.0013421900000000 ] - [ 0.0000545800000000, -0.0001493700000000, -0.0004682200000000 ] - [ -0.0000435000000000, -0.0002322600000000, -0.0004533400000000 ] - [ 0.0002989300000000, 0.0001689700000000, -0.0003970400000000 ] - [ -0.0014071500000000, -0.0015980800000000, -0.0008208900000000 ] - [ -0.0000888500000000, -0.0003684800000000, -0.0003936800000000 ] - [ 0.0000572900000000, -0.0002306600000000, -0.0004566100000000 ] - [ 0.0025169600000000, -0.0089983700000000, -0.0012704700000000 ] - [ 0.0165874200000000, 0.0192260800000000, -0.0443436300000000 ] - [ -0.0021700500000000, 0.0025282800000000, 0.0012737000000000 ] - [ 0.0000713500000000, -0.0000007700000000, 0.0001874100000000 ] - [ 0.0021840000000000, -0.0047195000000000, 0.0002908300000000 ] - [ -0.0121728800000000, 0.0004439900000000, -0.0012057200000000 ] - [ 0.0000246200000000, 0.0009128300000000, -0.0010802100000000 ] - [ 0.0008718200000000, -0.0000491700000000, -0.0006745100000000 ] - [ 0.0003201200000000, -0.0002063200000000, 0.0000810200000000 ] - [ -0.0010897200000000, 0.0005279200000000, 0.0020516200000000 ] - [ 0.0006850000000000, -0.0009508500000000, -0.0020912600000000 ] - [ -0.0013245900000000, 0.0000624500000000, -0.0004459800000000 ] - [ -0.0002693600000000, -0.0001553100000000, 0.0001878700000000 ] - [ -0.0004068900000000, 0.0000899700000000, 0.0002082000000000 ] - [ 0.0002350800000000, -0.0004080100000000, -0.0002516200000000 ] - [ 0.0000010000000000, -0.0000481300000000, 0.0001788100000000 ] - [ -0.0000050300000000, 0.0001655000000000, -0.0004796900000000 ] - [ -0.0003372300000000, 0.0001602000000000, -0.0001348300000000 ] - [ 0.0003279700000000, 0.0002657400000000, 0.0002068300000000 ] - [ -0.0002482400000000, 0.0001485900000000, 0.0002320100000000 ] - [ 0.0003559700000000, 0.0000384000000000, -0.0000671800000000 ] - [ 0.0001345900000000, 0.0002657600000000, -0.0006052400000000 ] - [ -0.0000232600000000, -0.0001023000000000, 0.0003120100000000 ] - [ -0.0001429000000000, -0.0002123500000000, -0.0001083100000000 ] - [ -0.0003144100000000, 0.0001547200000000, 0.0000768500000000 ] - [ 0.0003117700000000, -0.0001953800000000, 0.0001068600000000 ] - [ 0.0001454800000000, 0.0002119500000000, -0.0001238800000000 ] - [ 0.0001112300000000, 0.0002824400000000, 0.0004205500000000 ] - [ -0.0000320700000000, -0.0003492200000000, -0.0006880800000000 ] - [ -0.0002468500000000, -0.0000798800000000, -0.0000447500000000 ] - [ 0.0003476300000000, -0.0003574900000000, 0.0003105800000000 ] - [ -0.0003551300000000, -0.0003540600000000, 0.0003185000000000 ] - [ 0.0001546800000000, -0.0000710600000000, -0.0000309900000000 ] - [ 0.0000347900000000, -0.0003429500000000, -0.0006710000000000 ] - [ -0.0000470400000000, 0.0000457200000000, 0.0002788700000000 ] - [ -0.0001558600000000, 0.0002322700000000, -0.0001328600000000 ] - [ -0.0003614000000000, -0.0001327100000000, 0.0000642300000000 ] - [ 0.0003513400000000, 0.0000991500000000, 0.0000319500000000 ] - [ 0.0001776100000000, -0.0000441000000000, -0.0000389600000000 ] - [ -0.0000202900000000, -0.0001656900000000, 0.0004135400000000 ] - [ -0.0001477400000000, 0.0003039000000000, -0.0008976200000000 ] - [ -0.0002238300000000, 0.0000140900000000, -0.0000432000000000 ] - [ 0.0002783800000000, 0.0001737600000000, 0.0002506400000000 ] - [ -0.0003760800000000, 0.0003102500000000, 0.0003175600000000 ] - [ 0.0001762800000000, 0.0000688500000000, -0.0000166900000000 ] - [ 0.0000201000000000, 0.0001892700000000, -0.0005176800000000 ] - [ 0.0000185800000000, -0.0001679700000000, 0.0004036100000000 ] - [ -0.0002020400000000, -0.0003770300000000, -0.0002291300000000 ] - [ -0.0003236500000000, 0.0001345300000000, 0.0000801700000000 ] - [ 0.0004169200000000, -0.0000781700000000, 0.0000397300000000 ] - [ 0.0002164300000000, 0.0003321400000000, -0.0002272500000000 ] - [ 0.0000330400000000, 0.0000866300000000, 0.0003185300000000 ] - [ 0.0000182200000000, -0.0001941900000000, -0.0005511700000000 ] - [ -0.0000941800000000, 0.0000820800000000, 0.0001028700000000 ] - [ 0.0003905800000000, -0.0003886800000000, 0.0004330900000000 ] - [ -0.0002352600000000, -0.0002096600000000, 0.0002158500000000 ] - [ 0.0002648100000000, -0.0000437200000000, -0.0000606700000000 ] - [ -0.0000400000000000, -0.0003400700000000, -0.0009233900000000 ] - [ 0.0003281400000000, 0.0002161500000000, 0.0007446200000000 ] - [ -0.0002157800000000, 0.0003722800000000, -0.0000455400000000 ] - [ -0.0002945100000000, -0.0000655000000000, 0.0000797600000000 ] - [ -0.0013528700000000, 0.0014440000000000, 0.0035164800000000 ] - [ 0.0001691200000000, -0.0003412000000000, -0.0002020300000000 ] - [ 0.0005586000000000, 0.0005261100000000, 0.0000930600000000 ] - [ -0.0000415800000000, 0.0001973300000000, -0.0005300700000000 ] - [ -0.0256120000000000, 0.0008089000000000, -0.0088762000000000 ] - [ 0.0018629700000000, 0.0062714900000000, 0.0091671700000000 ] - [ -0.0003175900000000, 0.0001894300000000, 0.0002603000000000 ] - [ 0.0000346500000000, 0.0001157900000000, -0.0000384500000000 ] - [ 0.0042253000000000, 0.0082626700000000, -0.0117164600000000 ] - [ -0.0003561900000000, 0.0051769500000000, 0.0046979000000000 ] - [ -0.0091140000000000, -0.0152487700000000, -0.0165513700000000 ] - [ -0.0004794500000000, 0.0000846300000000, -0.0000294300000000 ] - [ 0.0003283400000000, -0.0001754200000000, 0.0000848300000000 ] - [ 0.0001832900000000, 0.0002787300000000, -0.0001667700000000 ] - [ 0.0000654700000000, 0.0000729300000000, 0.0003022200000000 ] - [ -0.0000188000000000, -0.0002958600000000, -0.0006236800000000 ] - [ -0.0002374600000000, -0.0000610300000000, -0.0000447500000000 ] - [ 0.0003167400000000, -0.0002951300000000, 0.0002922300000000 ] - [ -0.0003085600000000, -0.0002956400000000, 0.0002881900000000 ] - [ 0.0002967500000000, -0.0000626800000000, -0.0000521300000000 ] - [ 0.0000215900000000, -0.0002952400000000, -0.0006226600000000 ] - [ -0.0000266900000000, 0.0000634500000000, 0.0003013300000000 ] - [ -0.0001845900000000, 0.0002660800000000, -0.0001653400000000 ] - [ -0.0002924900000000, -0.0001979300000000, 0.0001137800000000 ] - [ 0.0003451200000000, 0.0001081400000000, 0.0000387100000000 ] - [ 0.0003266300000000, -0.0004865800000000, -0.0003449800000000 ] - [ 0.0000079200000000, -0.0001750900000000, 0.0003911100000000 ] - [ 0.0000408300000000, 0.0001187900000000, -0.0002719600000000 ] - [ -0.0002412400000000, 0.0000034700000000, -0.0000473900000000 ] - [ 0.0002710100000000, 0.0001506400000000, 0.0002408000000000 ] - [ -0.0003479400000000, 0.0000109200000000, 0.0009214700000000 ] - [ 0.0003668800000000, 0.0000311800000000, -0.0000841700000000 ] - [ 0.0000194700000000, 0.0001620000000000, -0.0004745900000000 ] - [ -0.0000001600000000, -0.0001864000000000, 0.0004023100000000 ] - [ -0.0002195100000000, -0.0004097600000000, -0.0002535900000000 ] - [ -0.0004082300000000, 0.0001083700000000, -0.0000429500000000 ] - [ -0.0079194800000000, 0.0010842400000000, 0.3337326100000000 ] - [ 0.0009099300000000, -0.0011906700000000, -0.0001523100000000 ] - [ 0.0053166400000000, 0.0040086600000000, -0.0059094700000000 ] - [ 0.0006460100000000, 0.0006312700000000, -0.0000946900000000 ] - [ -0.0004594900000000, -0.0010902100000000, -0.0001690600000000 ] - [ -0.0001112500000000, -0.0013106000000000, -0.0001530200000000 ] - [ -0.0003708700000000, 0.0002707000000000, -0.0000997500000000 ] - [ 0.0004148300000000, 0.0005529000000000, -0.0001438400000000 ] - [ 0.0003695600000000, 0.0004138600000000, -0.0006858000000000 ] - [ 0.0003275500000000, -0.0004804200000000, -0.0002019800000000 ] - [ 0.0097913100000000, -0.0025722400000000, -0.0060001000000000 ] - [ 0.0000531200000000, -0.0012499100000000, -0.0005956100000000 ] - [ -0.0004117800000000, -0.0009163000000000, -0.0001522700000000 ] - [ 0.0006255000000000, -0.0008709700000000, -0.0002026800000000 ] - [ -0.0004310800000000, 0.0003268500000000, -0.0000996400000000 ] - [ 0.0005161800000000, -0.0001153000000000, -0.0000056900000000 ] - [ 0.0001876600000000, 0.0002602500000000, 0.0000976000000000 ] - [ -0.0002530900000000, 0.0003205000000000, -0.0000499900000000 ] - [ 0.0030204800000000, -0.0095151700000000, 0.0190709700000000 ] - [ -0.0009599000000000, 0.0005823200000000, 0.0001325000000000 ] - [ -0.0008942700000000, 0.0007394300000000, -0.0075507400000000 ] - [ -0.0004136200000000, 0.0001531800000000, -0.0001836700000000 ] - [ 0.0009907500000000, -0.0016234600000000, 0.0027767200000000 ] - [ 0.0020415700000000, 0.0006096800000000, -0.0004757000000000 ] - [ -0.0016395700000000, 0.0008195500000000, -0.0039522100000000 ] - [ -0.0010429600000000, 0.0004413000000000, -0.0000401200000000 ] - [ -0.0038297800000000, -0.0016085100000000, 0.0000804500000000 ] - [ 0.0061953800000000, -0.0009099700000000, 0.0047742000000000 ] - [ -0.0002674500000000, 0.0001551100000000, 0.0001846300000000 ] - [ -0.0002629900000000, 0.0005070000000000, 0.0000200900000000 ] - [ 0.0010847200000000, -0.0004590200000000, -0.0001653600000000 ] - [ -0.0008410300000000, 0.0004076300000000, -0.0004981000000000 ] - [ -0.0003368100000000, 0.0002478700000000, 0.0008856000000000 ] - [ -0.0002577500000000, -0.0000764300000000, -0.0002313000000000 ] - [ 0.0003431400000000, -0.0000601500000000, -0.0003365500000000 ] - [ 0.0001146500000000, 0.0000469400000000, 0.0008378100000000 ] - [ -0.0004501900000000, 0.0001285500000000, 0.0000487900000000 ] - [ -0.0008933400000000, -0.0002509900000000, 0.0001918700000000 ] - [ -0.0000789400000000, -0.0000054000000000, 0.0000595800000000 ] - [ 0.0000446300000000, -0.0001131400000000, 0.0002697700000000 ] - [ -0.0000183500000000, 0.0001632800000000, 0.0000624900000000 ] - [ -0.0001866900000000, 0.0003473200000000, -0.0003289300000000 ] - [ 0.0008178800000000, 0.0003953900000000, 0.0001845600000000 ] - [ -0.0004166400000000, 0.0000182100000000, -0.0003305000000000 ] - [ -0.0002781700000000, 0.0001320800000000, 0.0009408600000000 ] - [ -0.0001300200000000, 0.0001189100000000, 0.0007753500000000 ] - [ 0.0004159400000000, 0.0001101300000000, -0.0002465900000000 ] - [ 0.0002789400000000, 0.0001301200000000, 0.0009292900000000 ] - [ 0.0005041800000000, -0.0000506100000000, -0.0003746100000000 ] - [ -0.0007169400000000, 0.0003328800000000, 0.0002000700000000 ] - [ 0.0001743600000000, -0.0001083100000000, -0.0000879600000000 ] - [ 0.0000720700000000, 0.0000800800000000, 0.0001142700000000 ] - [ 0.0000642900000000, 0.0000298200000000, 0.0000072200000000 ] - [ 0.0000398700000000, 0.0004904800000000, -0.0001238500000000 ] - [ 0.0007851900000000, -0.0001688500000000, 0.0001760700000000 ] - [ -0.0003391300000000, 0.0001864300000000, -0.0002499000000000 ] - [ -0.0004776800000000, -0.0005152100000000, 0.0013017200000000 ] - [ -0.0003238200000000, 0.0001328600000000, -0.0002910400000000 ] - [ 0.0003024900000000, 0.0001521400000000, -0.0002708700000000 ] - [ 0.0003034400000000, 0.0001969500000000, 0.0008998100000000 ] - [ 0.0005889600000000, 0.0003567900000000, -0.0004239200000000 ] - [ -0.0007964100000000, -0.0003033400000000, 0.0001539500000000 ] - [ 0.0000580200000000, 0.0004777500000000, -0.0000922000000000 ] - [ 0.0001178700000000, 0.0001202000000000, 0.0001773100000000 ] - [ -0.0001749400000000, -0.0000518800000000, 0.0001675600000000 ] - [ -0.0001749800000000, -0.0002765100000000, -0.0000851000000000 ] - [ 0.0006188200000000, 0.0001250100000000, 0.0001188700000000 ] - [ -0.0006388900000000, -0.0002783100000000, -0.0004302500000000 ] - [ -0.0003152500000000, -0.0002181900000000, 0.0010070700000000 ] - [ -0.0003841100000000, 0.0000272200000000, -0.0002561900000000 ] - [ 0.0003152200000000, 0.0000371100000000, -0.0005837000000000 ] - [ 0.0002547800000000, -0.0000372200000000, 0.0010260300000000 ] - [ -0.0020350700000000, -0.0001544400000000, 0.0003425300000000 ] - [ -0.0008532200000000, 0.0002886600000000, 0.0001136700000000 ] - [ -0.0012658000000000, -0.0006007500000000, 0.0015218100000000 ] - [ 0.0000501100000000, -0.0003820700000000, -0.0019044400000000 ] - [ -0.0000395000000000, -0.0000037000000000, 0.0001972700000000 ] - [ -0.0000776300000000, 0.0001893600000000, 0.0002230400000000 ] - [ 0.0168645900000000, -0.0013470300000000, 0.0045861800000000 ] - [ -0.0002960800000000, 0.0002766400000000, -0.0003094600000000 ] - [ -0.0002327100000000, 0.0002113200000000, 0.0008901000000000 ] - [ -0.0024522500000000, -0.0045633100000000, -0.0053679300000000 ] - [ -0.0009373300000000, -0.0006979200000000, -0.0033315700000000 ] - [ 0.0046287400000000, 0.0048747900000000, 0.0152657800000000 ] - [ 0.0672776000000000, 0.0337807000000000, -0.0605123600000000 ] - [ -0.0005402900000000, -0.0001813700000000, 0.0000785000000000 ] - [ -0.0018580100000000, -0.0034118400000000, -0.0355321100000000 ] - [ -0.0638836000000000, -0.0344826700000000, -0.1872567400000000 ] - [ -0.0001301900000000, 0.0000001000000000, 0.0001385400000000 ] - [ -0.0001755000000000, -0.0003066700000000, -0.0000535900000000 ] - [ 0.0007965700000000, 0.0003383200000000, 0.0001819800000000 ] - [ -0.0006003200000000, -0.0001562300000000, -0.0004112600000000 ] - [ -0.0003246900000000, 0.0000394000000000, 0.0009255900000000 ] - [ -0.0005164600000000, 0.0000592400000000, -0.0003498100000000 ] - [ 0.0003586600000000, 0.0000581100000000, -0.0002386700000000 ] - [ 0.0003128500000000, 0.0000072200000000, 0.0009313100000000 ] - [ 0.0005353300000000, -0.0001280000000000, -0.0003881100000000 ] - [ -0.0008618700000000, 0.0003583800000000, 0.0001801000000000 ] - [ 0.0001555100000000, -0.0001521900000000, -0.0000922500000000 ] - [ 0.0000937300000000, 0.0000443400000000, 0.0001307600000000 ] - [ -0.0002687700000000, 0.0001581400000000, 0.0002627400000000 ] - [ -0.0001206400000000, 0.0005099300000000, -0.0000690900000000 ] - [ 0.0007948700000000, -0.0001693000000000, 0.0001780200000000 ] - [ -0.0006649200000000, 0.0003281300000000, -0.0006553400000000 ] - [ -0.0003541000000000, 0.0004049600000000, 0.0003968300000000 ] - [ -0.0003636700000000, 0.0001791200000000, -0.0002778700000000 ] - [ 0.0003913000000000, 0.0001550300000000, -0.0002997800000000 ] - [ 0.0002811200000000, 0.0003001600000000, 0.0008818500000000 ] - [ 0.0006385900000000, 0.0004164700000000, -0.0004521400000000 ] - [ -0.0009215400000000, 0.0001234500000000, 0.0003386000000000 ] - [ 0.0000665400000000, 0.0005796600000000, -0.0000786100000000 ] - [ 0.0001482800000000, 0.0001673400000000, 0.0001929600000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024897100000000, -0.0044771500000000, 0.0004116800000000 ] - [ -0.0014472100000000, 0.0003312300000000, -0.0004128400000000 ] - [ 0.0000821000000000, -0.0000163100000000, -0.0005026500000000 ] - [ -0.0002918300000000, -0.0001740500000000, -0.0004646300000000 ] - [ -0.0017339400000000, 0.0018042600000000, -0.0003709600000000 ] - [ 0.0025756500000000, -0.0029330600000000, -0.0003549000000000 ] - [ -0.0000748900000000, -0.0003683900000000, -0.0004137900000000 ] - [ 0.0002788500000000, -0.0002171900000000, -0.0004554000000000 ] - [ 0.0005488600000000, -0.0000490100000000, -0.0000588600000000 ] - [ 0.0022175600000000, -0.0048276700000000, 0.0049659400000000 ] - [ 0.0017782300000000, 0.0007508900000000, -0.0017098000000000 ] - [ 0.0007190500000000, 0.0004606800000000, 0.0008814900000000 ] - [ 0.0000320600000000, -0.0001833400000000, -0.0000351400000000 ] - [ 0.0004180800000000, -0.0004271700000000, 0.0003529000000000 ] - [ -0.0001622300000000, -0.0004623600000000, -0.0020891400000000 ] - [ -0.0179130200000000, 0.0005074600000000, 0.0082824600000000 ] - [ 0.0000459200000000, -0.0004125200000000, -0.0007555000000000 ] - [ -0.0002405400000000, -0.0001493100000000, -0.0002331000000000 ] - [ -0.0001043300000000, 0.0001226000000000, -0.0000649800000000 ] - [ -0.0016323500000000, 0.0028729300000000, -0.0056057100000000 ] - [ 0.0003826900000000, -0.0000170900000000, -0.0000473800000000 ] - [ -0.0001726700000000, 0.0006135700000000, 0.0002149400000000 ] - [ -0.0005139900000000, -0.0005897600000000, 0.0005562100000000 ] - [ -0.0002136400000000, 0.0009842700000000, -0.0011039000000000 ] - [ -0.0006853600000000, 0.0000147400000000, -0.0000918300000000 ] - [ -0.0001041200000000, -0.0003127800000000, 0.0000864000000000 ] - [ -0.0007965000000000, 0.0010180900000000, 0.0005699800000000 ] - [ -0.0013953100000000, 0.0001112700000000, 0.0000000000000000 ] - [ -0.0001110000000000, 0.0000743200000000, -0.0004295600000000 ] - [ -0.0000682200000000, -0.0001599900000000, 0.0003513600000000 ] - [ -0.0004531900000000, -0.0004694700000000, -0.0002961000000000 ] - [ -0.0007665900000000, -0.0000606400000000, -0.0003556100000000 ] - [ 0.0004116600000000, -0.0001699100000000, 0.0000188600000000 ] - [ 0.0001911700000000, 0.0002558400000000, -0.0001532900000000 ] - [ 0.0000834400000000, 0.0000352800000000, 0.0002526700000000 ] - [ -0.0000009600000000, -0.0003039900000000, -0.0006550700000000 ] - [ 0.0001520800000000, 0.0000795200000000, -0.0000091800000000 ] - [ 0.0002227800000000, -0.0002696600000000, 0.0000966700000000 ] - [ -0.0002792200000000, -0.0002726700000000, 0.0002773700000000 ] - [ 0.0003128400000000, -0.0000773000000000, -0.0000525500000000 ] - [ 0.0001846500000000, -0.0000755800000000, -0.0002862100000000 ] - [ 0.0000514100000000, 0.0001490000000000, 0.0004165800000000 ] - [ -0.0002404600000000, 0.0005582100000000, -0.0002784000000000 ] - [ -0.0003132200000000, -0.0001900500000000, 0.0001043200000000 ] - [ 0.0003310000000000, 0.0002146800000000, 0.0001024300000000 ] - [ 0.0002255400000000, -0.0004248500000000, -0.0002722400000000 ] - [ -0.0000045600000000, -0.0001475400000000, 0.0003866200000000 ] - [ -0.0000270300000000, 0.0001468800000000, -0.0004357000000000 ] - [ -0.0003789200000000, 0.0000896500000000, -0.0000743400000000 ] - [ 0.0002668200000000, 0.0002128200000000, 0.0002548700000000 ] - [ -0.0002932400000000, 0.0001548500000000, 0.0002468800000000 ] - [ 0.0001871600000000, 0.0000000600000000, -0.0000449100000000 ] - [ -0.0000032200000000, 0.0002282400000000, -0.0005500000000000 ] - [ -0.0002502600000000, 0.0000691600000000, 0.0000891000000000 ] - [ -0.0002303200000000, -0.0003455000000000, -0.0002132900000000 ] - [ -0.0003716900000000, 0.0001068700000000, 0.0000170900000000 ] - [ 0.0001845700000000, -0.0002112000000000, 0.0002055600000000 ] - [ -0.0001400100000000, 0.0002641700000000, -0.0001417300000000 ] - [ -0.0003784700000000, 0.0002529700000000, 0.0005889400000000 ] - [ -0.0002876700000000, -0.0001831500000000, -0.0005679700000000 ] - [ -0.0005119700000000, -0.0000030300000000, -0.0000692300000000 ] - [ 0.0002321500000000, -0.0001878400000000, 0.0002386500000000 ] - [ -0.0006639600000000, -0.0002811500000000, 0.0003555500000000 ] - [ -0.0011701300000000, 0.0000957000000000, 0.0001317700000000 ] - [ -0.0000003400000000, -0.0002014900000000, -0.0005194500000000 ] - [ -0.0001434700000000, 0.0003390900000000, 0.0004550900000000 ] - [ -0.0002385100000000, 0.0004007000000000, -0.0002451600000000 ] - [ -0.0009413200000000, 0.0001007900000000, -0.0004619900000000 ] - [ 0.0002457000000000, 0.0002793100000000, 0.0002391400000000 ] - [ -0.0001348800000000, -0.0008536100000000, -0.0004445200000000 ] - [ -0.0008490600000000, 0.0004945600000000, -0.0001152300000000 ] - [ -0.0000440200000000, -0.0005021900000000, 0.0000240600000000 ] - [ 0.0002290800000000, 0.0003225100000000, 0.0001054200000000 ] - [ 0.0010291300000000, 0.0013927100000000, 0.0004819500000000 ] - [ -0.0002490200000000, -0.0006593300000000, 0.0002499400000000 ] - [ -0.0034338200000000, -0.0008572700000000, -0.0003854000000000 ] - [ 0.0003333600000000, 0.0017198500000000, -0.0017409000000000 ] - [ 0.0000772800000000, -0.0001556800000000, 0.0004699300000000 ] - [ 0.0014110100000000, 0.0001949600000000, 0.0006462700000000 ] - [ 0.0116976500000000, 0.0039970600000000, -0.0021519300000000 ] - [ 0.0002306700000000, -0.0001752600000000, 0.0001697500000000 ] - [ 0.0001521800000000, 0.0002685900000000, -0.0001597600000000 ] - [ -0.0000182600000000, 0.0000953600000000, 0.0003462500000000 ] - [ -0.0000462400000000, -0.0003079900000000, -0.0006200200000000 ] - [ -0.0005882000000000, -0.0001487900000000, -0.0000725200000000 ] - [ 0.0001033800000000, -0.0002824800000000, 0.0002520600000000 ] - [ -0.0003649000000000, -0.0003400000000000, 0.0003114300000000 ] - [ 0.0001748700000000, -0.0000532600000000, -0.0000359900000000 ] - [ -0.0000879500000000, -0.0004811000000000, -0.0008670200000000 ] - [ -0.0001075800000000, -0.0000112700000000, 0.0001932300000000 ] - [ -0.0002537100000000, 0.0000394600000000, -0.0000566200000000 ] - [ -0.0003334900000000, -0.0001653100000000, 0.0000761400000000 ] - [ 0.0003361500000000, 0.0000187300000000, 0.0000020700000000 ] - [ 0.0001883500000000, -0.0003362100000000, -0.0001981300000000 ] - [ -0.0000111200000000, -0.0001804300000000, 0.0004020300000000 ] - [ -0.0000094900000000, 0.0002267600000000, -0.0005828200000000 ] - [ -0.0001149700000000, -0.0000802300000000, -0.0000148800000000 ] - [ 0.0002843000000000, 0.0001334500000000, 0.0002413600000000 ] - [ -0.0002662800000000, 0.0001962600000000, 0.0002568200000000 ] - [ 0.0002803500000000, 0.0000279500000000, -0.0000450300000000 ] - [ 0.0000411000000000, 0.0001430900000000, -0.0004647700000000 ] - [ 0.0003913100000000, -0.0004247900000000, 0.0007550500000000 ] - [ -0.0001898600000000, -0.0004239300000000, -0.0002594900000000 ] - [ -0.0003220700000000, 0.0001129900000000, 0.0000621100000000 ] - [ 0.0026154400000000, -0.0027222400000000, -0.0004302000000000 ] - [ 0.0004736400000000, 0.0028863500000000, 0.0060678000000000 ] - [ -0.0006996200000000, -0.0009656100000000, 0.0000288700000000 ] - [ -0.0030367000000000, 0.0003072500000000, -0.0001908200000000 ] - [ 0.0003231000000000, -0.0012836300000000, -0.0002222500000000 ] - [ 0.0004990800000000, -0.0010343700000000, -0.0001693200000000 ] - [ -0.0002316300000000, 0.0015824600000000, -0.0002024100000000 ] - [ 0.0002263000000000, 0.0004046300000000, -0.0001229500000000 ] - [ -0.0016067600000000, -0.0007651400000000, -0.0000682000000000 ] - [ -0.0042799100000000, -0.0014073900000000, -0.0001752200000000 ] - [ -0.0003594200000000, 0.0017131100000000, -0.0003065700000000 ] - [ 0.0592433400000000, 0.0141867700000000, -0.0617637500000000 ] - [ -0.0010853800000000, -0.0007168700000000, -0.0001126900000000 ] - [ 0.0003781400000000, -0.0008319100000000, -0.0001480800000000 ] - [ -0.0008164400000000, -0.0008240400000000, 0.0000267900000000 ] - [ 0.0005913100000000, 0.0002978700000000, -0.0000938100000000 ] - [ -0.0748897300000000, -0.0205460100000000, 0.0419357200000000 ] - [ -0.0085591500000000, -0.0005271700000000, 0.0067062800000000 ] - [ 0.0003905200000000, 0.0003741600000000, 0.0002916700000000 ] - [ -0.0123656800000000, -0.0025127100000000, 0.0126838200000000 ] - [ 0.0007088400000000, 0.0093497300000000, -0.0068431400000000 ] - [ -0.0018961300000000, -0.0010570300000000, 0.0007351900000000 ] - [ 0.0002396900000000, 0.0007648800000000, 0.0016922900000000 ] - [ 0.0002094000000000, 0.0002093000000000, 0.0009468600000000 ] - [ 0.0001679400000000, 0.0002010200000000, -0.0002443100000000 ] - [ 0.0381190200000000, -0.0030013200000000, -0.0092356200000000 ] - [ 0.0006508700000000, 0.0010529300000000, -0.0001558200000000 ] - [ -0.0000746800000000, 0.0003936600000000, -0.0000555600000000 ] - [ 0.0018327600000000, -0.0017382900000000, 0.0019134800000000 ] - [ 0.0002073700000000, 0.0007185700000000, -0.0020193000000000 ] - [ 0.0012206500000000, 0.0003415800000000, 0.0002527900000000 ] - [ 0.0012116900000000, -0.0011398000000000, -0.0003200500000000 ] - [ 0.0001187800000000, -0.0010768600000000, 0.0010060300000000 ] - [ 0.0008266500000000, 0.0010221400000000, -0.0001587100000000 ] - [ 0.0004739300000000, 0.0001948100000000, -0.0002620700000000 ] - [ 0.0011581800000000, 0.0001196800000000, 0.0008084200000000 ] - [ 0.0013538100000000, 0.0007073700000000, -0.0004786300000000 ] - [ 0.0006708800000000, -0.0002553200000000, 0.0000971500000000 ] - [ 0.0003310700000000, 0.0005118200000000, -0.0000701600000000 ] - [ 0.0006193600000000, 0.0001556200000000, 0.0002251800000000 ] - [ -0.0001555800000000, 0.0000606200000000, 0.0001186500000000 ] - [ -0.0002410900000000, -0.0001283800000000, -0.0000735500000000 ] - [ 0.0002982400000000, 0.0004295000000000, 0.0001187700000000 ] - [ -0.0006386000000000, -0.0001146000000000, -0.0003950500000000 ] - [ -0.0004151200000000, 0.0001114100000000, 0.0009485900000000 ] - [ -0.0005214300000000, 0.0001565000000000, -0.0002574000000000 ] - [ 0.0002630600000000, -0.0000117200000000, -0.0003022200000000 ] - [ -0.0006741300000000, -0.0011381700000000, 0.0007158500000000 ] - [ 0.0003126400000000, -0.0005904900000000, -0.0004195000000000 ] - [ -0.0008724900000000, 0.0003547100000000, 0.0002004200000000 ] - [ -0.0000636900000000, -0.0005905600000000, -0.0000878200000000 ] - [ -0.0000754200000000, -0.0002985200000000, 0.0001416800000000 ] - [ -0.0001284300000000, 0.0001632300000000, 0.0001783500000000 ] - [ -0.0000778200000000, 0.0004799100000000, -0.0000820800000000 ] - [ 0.0008743100000000, -0.0003852400000000, 0.0002302700000000 ] - [ -0.0005814400000000, 0.0004105900000000, -0.0004527800000000 ] - [ -0.0002038700000000, 0.0004477000000000, 0.0008587900000000 ] - [ -0.0003336900000000, 0.0000858000000000, -0.0002730200000000 ] - [ 0.0009969600000000, -0.0006135600000000, -0.0003307300000000 ] - [ 0.0003535100000000, 0.0001317700000000, 0.0009077900000000 ] - [ 0.0008184900000000, 0.0002420600000000, -0.0004646800000000 ] - [ -0.0007241100000000, -0.0001765300000000, 0.0001915200000000 ] - [ 0.0004764400000000, 0.0001145500000000, 0.0000041100000000 ] - [ 0.0002985000000000, 0.0000315900000000, 0.0001151100000000 ] - [ 0.0012012000000000, -0.0000237400000000, 0.0001479600000000 ] - [ 0.0008907500000000, -0.0005117000000000, -0.0001520800000000 ] - [ 0.0011310100000000, 0.0003192200000000, 0.0001987200000000 ] - [ 0.0014375200000000, -0.0002654000000000, 0.0000213500000000 ] - [ 0.0004583300000000, -0.0003969700000000, 0.0008965200000000 ] - [ 0.0003520500000000, -0.0000036800000000, -0.0003555100000000 ] - [ 0.0010190200000000, -0.0003356400000000, -0.0004517100000000 ] - [ 0.0003968000000000, -0.0001282900000000, 0.0009051100000000 ] - [ 0.0009326000000000, -0.0004322100000000, -0.0005555200000000 ] - [ 0.0007072100000000, -0.0001669800000000, 0.0000255800000000 ] - [ 0.0001442700000000, -0.0011542300000000, 0.0000026100000000 ] - [ 0.0002934600000000, -0.0002824500000000, 0.0002131600000000 ] - [ 0.0018379200000000, 0.0004048000000000, 0.0002155300000000 ] - [ 0.0027079800000000, 0.0002077900000000, -0.0003905700000000 ] - [ 0.0006891100000000, -0.0009039000000000, 0.0001146100000000 ] - [ 0.0013646600000000, 0.0012709400000000, -0.0008373900000000 ] - [ 0.0000651300000000, 0.0016262000000000, 0.0007497300000000 ] - [ 0.0000973700000000, -0.0018430100000000, 0.0000862000000000 ] - [ 0.0002204100000000, 0.0000702000000000, -0.0003194300000000 ] - [ -0.0004465300000000, -0.0032333600000000, -0.0006668900000000 ] - [ -0.0009668900000000, -0.0008757900000000, 0.0003001700000000 ] - [ -0.0015155300000000, 0.0090775200000000, 0.0084357300000000 ] - [ -0.0005407600000000, 0.0004881200000000, -0.0002223500000000 ] - [ -0.0010620500000000, -0.0001984500000000, -0.0004939700000000 ] - [ -0.0000191700000000, 0.0000319100000000, 0.0001282100000000 ] - [ -0.0000727600000000, -0.0002086300000000, -0.0001077400000000 ] - [ 0.0012130300000000, 0.0003382900000000, 0.0002071800000000 ] - [ -0.0004254500000000, -0.0001057200000000, -0.0003801500000000 ] - [ -0.0001995000000000, -0.0000221500000000, 0.0009069500000000 ] - [ -0.0002561000000000, -0.0000390600000000, -0.0002293700000000 ] - [ 0.0004995800000000, 0.0001264600000000, -0.0001899100000000 ] - [ 0.0009810400000000, 0.0007082700000000, 0.0010179800000000 ] - [ 0.0008935500000000, 0.0001428100000000, -0.0003504400000000 ] - [ -0.0007524700000000, 0.0003458800000000, 0.0001879500000000 ] - [ 0.0003889000000000, 0.0001963800000000, -0.0000916500000000 ] - [ 0.0002938100000000, 0.0003363300000000, 0.0001052800000000 ] - [ -0.0001278700000000, 0.0000850500000000, 0.0001706700000000 ] - [ -0.0000664400000000, 0.0005034200000000, -0.0000910400000000 ] - [ 0.0007645500000000, 0.0000068000000000, 0.0001487700000000 ] - [ -0.0006255400000000, 0.0002952400000000, -0.0004184800000000 ] - [ -0.0003871700000000, 0.0000243600000000, 0.0009324200000000 ] - [ -0.0003575100000000, 0.0001941700000000, -0.0002847700000000 ] - [ -0.0001303200000000, 0.0011328300000000, -0.0005631700000000 ] - [ 0.0002440700000000, 0.0003309800000000, 0.0008806900000000 ] - [ 0.0004205800000000, 0.0004915700000000, -0.0004243000000000 ] - [ -0.0008687200000000, -0.0001982800000000, 0.0001888000000000 ] - [ -0.0003849300000000, 0.0010675400000000, -0.0001265000000000 ] - [ -0.0000436000000000, 0.0002513000000000, 0.0002553500000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024972700000000, 0.0044390600000000, -0.0013115100000000 ] - [ 0.0014421500000000, -0.0003243400000000, -0.0004954400000000 ] - [ -0.0000815900000000, 0.0000162700000000, -0.0004053300000000 ] - [ 0.0002910400000000, 0.0001714000000000, -0.0004440500000000 ] - [ 0.0017229200000000, -0.0018054800000000, -0.0005419000000000 ] - [ -0.0025688600000000, 0.0028989300000000, -0.0005428400000000 ] - [ 0.0000738700000000, 0.0003677500000000, -0.0004942300000000 ] - [ -0.0002786600000000, 0.0002176400000000, -0.0004523500000000 ] - [ 0.0001217300000000, -0.0002375900000000, 0.0001878800000000 ] - [ -0.0018203900000000, 0.0054039800000000, -0.0053581800000000 ] - [ -0.0017410300000000, -0.0005376000000000, 0.0023924300000000 ] - [ -0.0007672800000000, -0.0009475500000000, -0.0020174400000000 ] - [ -0.0005075800000000, 0.0001037800000000, -0.0000536800000000 ] - [ 0.0001836000000000, -0.0000554600000000, 0.0001918100000000 ] - [ -0.0004279100000000, -0.0000157000000000, 0.0026183100000000 ] - [ 0.0184133300000000, -0.0006742700000000, -0.0082359700000000 ] - [ -0.0000019900000000, -0.0000819400000000, -0.0003925200000000 ] - [ 0.0002156400000000, 0.0003790200000000, 0.0009238800000000 ] - [ -0.0002748100000000, 0.0005196000000000, -0.0003253600000000 ] - [ 0.0009581500000000, -0.0031477100000000, 0.0057059600000000 ] - [ 0.0002886000000000, 0.0003030500000000, 0.0001749500000000 ] - [ 0.0005504200000000, -0.0012484100000000, -0.0006027900000000 ] - [ 0.0005367800000000, 0.0003569100000000, 0.0001375500000000 ] - [ 0.0001687600000000, -0.0004827700000000, -0.0000485600000000 ] - [ 0.0002057400000000, 0.0000638600000000, 0.0000023100000000 ] - [ 0.0007031400000000, 0.0007901900000000, 0.0004565400000000 ] - [ 0.0001916200000000, -0.0005281000000000, -0.0000224700000000 ] - [ 0.0018641200000000, -0.0000304200000000, -0.0000906400000000 ] - [ 0.0001545000000000, 0.0004178000000000, -0.0007161700000000 ] - [ 0.0000421500000000, -0.0000690700000000, 0.0003410800000000 ] - [ 0.0000725500000000, -0.0001750400000000, -0.0000955300000000 ] - [ 0.0000949500000000, 0.0003474300000000, 0.0004839000000000 ] - [ 0.0002576600000000, -0.0001183200000000, 0.0001114200000000 ] - [ 0.0001880900000000, 0.0003870000000000, -0.0002374400000000 ] - [ -0.0000577600000000, 0.0001932400000000, 0.0004394400000000 ] - [ -0.0000431300000000, -0.0001900500000000, -0.0004925400000000 ] - [ -0.0006272800000000, -0.0001588900000000, -0.0000799600000000 ] - [ 0.0003820100000000, -0.0002163100000000, 0.0004522500000000 ] - [ -0.0003222600000000, -0.0002095200000000, 0.0002669500000000 ] - [ 0.0001652300000000, -0.0000023400000000, -0.0000368100000000 ] - [ -0.0001387600000000, -0.0004190200000000, -0.0008601200000000 ] - [ -0.0000770800000000, 0.0000796200000000, 0.0002760000000000 ] - [ -0.0001380100000000, 0.0000851600000000, -0.0001123200000000 ] - [ -0.0003567900000000, -0.0000975600000000, 0.0000257200000000 ] - [ 0.0003390500000000, 0.0000733100000000, 0.0000276000000000 ] - [ 0.0001541000000000, -0.0002187700000000, -0.0001192800000000 ] - [ 0.0000304600000000, -0.0000806500000000, 0.0003051700000000 ] - [ -0.0000169400000000, 0.0003464200000000, -0.0007107000000000 ] - [ -0.0000982700000000, -0.0000094700000000, -0.0000148100000000 ] - [ 0.0003338700000000, 0.0002685400000000, 0.0002889700000000 ] - [ -0.0003074200000000, 0.0003256000000000, 0.0002967500000000 ] - [ 0.0002917000000000, 0.0000792800000000, -0.0000446400000000 ] - [ 0.0000469000000000, 0.0002656600000000, -0.0005969200000000 ] - [ 0.0002236500000000, -0.0002961100000000, 0.0006020000000000 ] - [ -0.0001494300000000, -0.0002972000000000, -0.0001776900000000 ] - [ -0.0002987500000000, 0.0001800400000000, 0.0001119100000000 ] - [ 0.0004845600000000, -0.0000768800000000, -0.0000751600000000 ] - [ 0.0005178700000000, 0.0003779700000000, -0.0002486400000000 ] - [ 0.0004015500000000, -0.0000223600000000, 0.0001062100000000 ] - [ 0.0002432000000000, -0.0003113000000000, -0.0005797600000000 ] - [ 0.0000310800000000, -0.0000767000000000, -0.0000204700000000 ] - [ 0.0003683700000000, -0.0002936500000000, 0.0003053300000000 ] - [ 0.0000612400000000, -0.0002018500000000, 0.0001893300000000 ] - [ 0.0016429100000000, -0.0001744100000000, -0.0002202600000000 ] - [ 0.0000437900000000, -0.0002925300000000, -0.0006278800000000 ] - [ 0.0001158400000000, -0.0001113100000000, 0.0002361100000000 ] - [ -0.0001416100000000, 0.0002424600000000, -0.0001459000000000 ] - [ 0.0002682200000000, -0.0003868800000000, 0.0005892100000000 ] - [ 0.0004232000000000, 0.0000084700000000, -0.0001087200000000 ] - [ 0.0005084400000000, 0.0002121100000000, 0.0000556600000000 ] - [ 0.0008718300000000, -0.0007267900000000, 0.0008162000000000 ] - [ -0.0000056800000000, 0.0010003300000000, -0.0011808700000000 ] - [ -0.0007088100000000, -0.0002418500000000, -0.0001948100000000 ] - [ -0.0004289800000000, -0.0009077500000000, 0.0000629100000000 ] - [ -0.0003583600000000, 0.0011443500000000, 0.0002981700000000 ] - [ 0.0038746700000000, 0.0009362300000000, 0.0003148800000000 ] - [ -0.0002954500000000, -0.0012188700000000, 0.0005884500000000 ] - [ -0.0001036600000000, -0.0000719800000000, 0.0002213600000000 ] - [ -0.0017902500000000, -0.0008292500000000, -0.0010347500000000 ] - [ -0.0123138200000000, -0.0038537100000000, 0.0020370400000000 ] - [ 0.0004388800000000, -0.0001118400000000, -0.0000397200000000 ] - [ 0.0002270300000000, 0.0003741400000000, -0.0002309300000000 ] - [ 0.0000442100000000, 0.0001325700000000, 0.0003452900000000 ] - [ 0.0000021200000000, -0.0001860600000000, -0.0005273300000000 ] - [ 0.0001086800000000, 0.0000693900000000, -0.0000168100000000 ] - [ 0.0004962900000000, -0.0001985300000000, 0.0002918200000000 ] - [ -0.0002363800000000, -0.0001417500000000, 0.0002326300000000 ] - [ 0.0003029800000000, -0.0000263000000000, -0.0000533800000000 ] - [ 0.0001307700000000, -0.0000129800000000, -0.0002802100000000 ] - [ 0.0000811500000000, 0.0002395100000000, 0.0004982100000000 ] - [ -0.0001262400000000, 0.0006038500000000, -0.0003341200000000 ] - [ -0.0003365700000000, -0.0001221700000000, 0.0000536500000000 ] - [ 0.0003330100000000, 0.0002685600000000, 0.0001278700000000 ] - [ 0.0001906400000000, -0.0003066100000000, -0.0001926200000000 ] - [ 0.0000366700000000, -0.0000482900000000, 0.0002903800000000 ] - [ -0.0000346800000000, 0.0002673500000000, -0.0005645900000000 ] - [ -0.0003649100000000, 0.0001590600000000, -0.0000746700000000 ] - [ 0.0003161100000000, 0.0003473000000000, 0.0003022900000000 ] - [ -0.0003349300000000, 0.0002853300000000, 0.0002871300000000 ] - [ 0.0001981200000000, 0.0000515600000000, -0.0000444600000000 ] - [ 0.0000026600000000, 0.0003502100000000, -0.0006817900000000 ] - [ -0.0004165700000000, 0.0001935100000000, -0.0000609700000000 ] - [ -0.0001898800000000, -0.0002196500000000, -0.0001318000000000 ] - [ -0.0003482200000000, 0.0001740700000000, 0.0000671800000000 ] - [ -0.0034511700000000, 0.0014442700000000, 0.0001622600000000 ] - [ 0.0003895100000000, -0.0041440800000000, -0.0062488800000000 ] - [ -0.0001428400000000, 0.0022454500000000, -0.0002949200000000 ] - [ 0.0038625900000000, 0.0009793700000000, -0.0000754100000000 ] - [ -0.0011656500000000, -0.0000136300000000, -0.0000463200000000 ] - [ 0.0003465700000000, -0.0002549000000000, -0.0000979200000000 ] - [ -0.0006072900000000, -0.0002899100000000, -0.0000658200000000 ] - [ 0.0006189900000000, 0.0008807000000000, -0.0001445700000000 ] - [ 0.0007559500000000, -0.0005282300000000, -0.0001993100000000 ] - [ 0.0051267200000000, 0.0001437600000000, -0.0000797900000000 ] - [ -0.0004918700000000, -0.0004234000000000, 0.0000397600000000 ] - [ -0.0580010200000000, -0.0129786900000000, 0.0618086200000000 ] - [ 0.0002386000000000, -0.0005654600000000, -0.0001545900000000 ] - [ 0.0004674000000000, -0.0004567000000000, -0.0001199500000000 ] - [ -0.0000361000000000, 0.0021072300000000, -0.0002933700000000 ] - [ 0.0002545500000000, 0.0009874000000000, -0.0001739000000000 ] - [ 0.0730997000000000, 0.0207701300000000, -0.0416083600000000 ] - [ 0.0083368600000000, -0.0001546900000000, -0.0069544900000000 ] - [ 0.0012166300000000, 0.0001624500000000, 0.0000930600000000 ] - [ 0.0112996900000000, 0.0021224600000000, -0.0134437000000000 ] - [ -0.0013251700000000, -0.0094801300000000, 0.0086114100000000 ] - [ 0.0011463600000000, 0.0009816600000000, -0.0012517400000000 ] - [ 0.0004885500000000, -0.0008414600000000, -0.0021964600000000 ] - [ 0.0003904000000000, -0.0003977200000000, 0.0008737200000000 ] - [ 0.0009582600000000, -0.0006592900000000, -0.0005743500000000 ] - [ -0.0387153400000000, 0.0034937600000000, 0.0093123300000000 ] - [ -0.0004235500000000, -0.0017115200000000, -0.0000247300000000 ] - [ 0.0002861300000000, -0.0004695900000000, 0.0003504300000000 ] - [ -0.0020352500000000, 0.0018025500000000, -0.0016150700000000 ] - [ -0.0004343600000000, -0.0000454400000000, 0.0018178000000000 ] - [ 0.0003890500000000, -0.0008730700000000, 0.0001331000000000 ] - [ -0.0023300900000000, 0.0015836100000000, -0.0005055500000000 ] - [ -0.0007208500000000, 0.0012559600000000, 0.0008149800000000 ] - [ -0.0015554000000000, -0.0009305300000000, -0.0003585800000000 ] - [ 0.0002591000000000, -0.0001117400000000, -0.0002547500000000 ] - [ -0.0005552300000000, 0.0000721700000000, 0.0010108300000000 ] - [ -0.0002193100000000, -0.0002420100000000, -0.0003422200000000 ] - [ -0.0022729500000000, -0.0002831600000000, 0.0002877200000000 ] - [ -0.0001019400000000, 0.0001552800000000, -0.0001085200000000 ] - [ -0.0004030700000000, -0.0000757900000000, 0.0000709800000000 ] - [ -0.0000589900000000, -0.0001376400000000, 0.0001767000000000 ] - [ 0.0000118300000000, -0.0005349400000000, -0.0001059300000000 ] - [ 0.0013078100000000, 0.0001108300000000, 0.0002662700000000 ] - [ -0.0004943800000000, -0.0003453000000000, -0.0004256100000000 ] - [ -0.0001873300000000, -0.0002986100000000, 0.0008723100000000 ] - [ -0.0002139900000000, -0.0002374900000000, -0.0002612200000000 ] - [ 0.0004703500000000, -0.0000689100000000, -0.0002159200000000 ] - [ 0.0012641200000000, 0.0009415200000000, 0.0011029300000000 ] - [ 0.0008110900000000, 0.0001320200000000, -0.0004013600000000 ] - [ -0.0007376600000000, 0.0001829300000000, 0.0001845900000000 ] - [ 0.0002899000000000, -0.0000730800000000, -0.0000910800000000 ] - [ 0.0002859700000000, 0.0002198200000000, 0.0001535200000000 ] - [ -0.0000862800000000, -0.0000853100000000, 0.0001173600000000 ] - [ -0.0001505300000000, 0.0001857000000000, -0.0000961800000000 ] - [ 0.0007337100000000, -0.0001527400000000, 0.0001541200000000 ] - [ -0.0005501400000000, 0.0000510000000000, -0.0003672700000000 ] - [ -0.0003984500000000, -0.0002557300000000, 0.0009610300000000 ] - [ -0.0004012100000000, -0.0000023400000000, -0.0002423500000000 ] - [ -0.0002593300000000, 0.0006889000000000, -0.0001882700000000 ] - [ 0.0002473700000000, 0.0000583300000000, 0.0009123900000000 ] - [ 0.0003137200000000, 0.0002188700000000, -0.0003567200000000 ] - [ -0.0008867000000000, -0.0003576000000000, 0.0001944600000000 ] - [ -0.0002469700000000, 0.0005468800000000, -0.0001831300000000 ] - [ -0.0000843100000000, 0.0000452100000000, 0.0001798200000000 ] - [ -0.0014098800000000, -0.0000531100000000, 0.0001474200000000 ] - [ -0.0011135200000000, -0.0001572300000000, -0.0000279900000000 ] - [ 0.0004808100000000, 0.0002179500000000, 0.0001862500000000 ] - [ -0.0025643000000000, -0.0001957500000000, -0.0008421400000000 ] - [ -0.0010577000000000, 0.0002099000000000, 0.0009241500000000 ] - [ -0.0010829200000000, -0.0000809000000000, -0.0001634100000000 ] - [ -0.0002815400000000, 0.0002550900000000, -0.0000664700000000 ] - [ 0.0002044400000000, -0.0000601200000000, 0.0009150600000000 ] - [ 0.0002003200000000, -0.0000275000000000, -0.0002654200000000 ] - [ -0.0023118400000000, 0.0007016900000000, 0.0003601000000000 ] - [ 0.0000868600000000, 0.0004914900000000, -0.0001805600000000 ] - [ -0.0000777500000000, 0.0002048500000000, 0.0000828500000000 ] - [ -0.0020300800000000, -0.0003311700000000, 0.0000657000000000 ] - [ -0.0029701400000000, 0.0004543100000000, 0.0002143800000000 ] - [ 0.0009223400000000, 0.0003654200000000, 0.0002700100000000 ] - [ -0.0024993300000000, -0.0008259700000000, 0.0000439900000000 ] - [ -0.0006555700000000, -0.0014338200000000, 0.0010750100000000 ] - [ -0.0008270300000000, 0.0019238300000000, -0.0006059400000000 ] - [ 0.0005149800000000, 0.0000118400000000, -0.0001978600000000 ] - [ 0.0010635100000000, 0.0034256500000000, 0.0025018000000000 ] - [ 0.0020961900000000, 0.0013296100000000, -0.0011182200000000 ] - [ -0.0000253600000000, -0.0096279400000000, -0.0080371900000000 ] - [ 0.0007681700000000, 0.0001750800000000, 0.0000437800000000 ] - [ 0.0012744800000000, 0.0002739200000000, 0.0007876700000000 ] - [ -0.0001950400000000, -0.0001088600000000, 0.0001672300000000 ] - [ -0.0001560200000000, -0.0004526600000000, -0.0000717400000000 ] - [ 0.0003980800000000, 0.0001973300000000, 0.0001787300000000 ] - [ -0.0007063400000000, -0.0003555100000000, -0.0004405900000000 ] - [ -0.0004004000000000, -0.0001672600000000, 0.0009136500000000 ] - [ -0.0004775900000000, -0.0000421200000000, -0.0002875500000000 ] - [ 0.0002354200000000, -0.0002075000000000, -0.0003277200000000 ] - [ -0.0003782000000000, -0.0008988200000000, 0.0008011600000000 ] - [ 0.0002395600000000, -0.0006034800000000, -0.0004704300000000 ] - [ -0.0008567700000000, 0.0001911900000000, 0.0001972200000000 ] - [ -0.0001584000000000, -0.0008590300000000, -0.0000872000000000 ] - [ -0.0000777600000000, -0.0004139600000000, 0.0001907400000000 ] - [ -0.0000866100000000, -0.0000070100000000, 0.0001253100000000 ] - [ -0.0001616700000000, 0.0001608400000000, -0.0000882500000000 ] - [ 0.0008468000000000, -0.0005425800000000, 0.0002357500000000 ] - [ -0.0005055000000000, 0.0001664600000000, -0.0004023200000000 ] - [ -0.0002133500000000, 0.0001642300000000, 0.0008879200000000 ] - [ -0.0003768700000000, -0.0001114400000000, -0.0002335800000000 ] - [ 0.0008697900000000, -0.0010479100000000, 0.0000392000000000 ] - [ 0.0003568900000000, -0.0001411000000000, 0.0009390400000000 ] - [ 0.0007135000000000, -0.0000276300000000, -0.0003973100000000 ] - [ -0.0007412100000000, -0.0003379100000000, 0.0001963800000000 ] - [ 0.0006107000000000, -0.0003916500000000, -0.0000509800000000 ] - [ 0.0002582400000000, -0.0001710800000000, 0.0000408900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031551600000000, 0.0013789700000000, -0.0003902200000000 ] - [ -0.0000339700000000, 0.0002701000000000, -0.0005364900000000 ] - [ 0.0001490200000000, -0.0008299500000000, -0.0004509600000000 ] - [ -0.0000690000000000, -0.0004874800000000, -0.0004053200000000 ] - [ 0.0016637900000000, 0.0013982200000000, -0.0003072600000000 ] - [ -0.0003285100000000, -0.0036306300000000, 0.0004298600000000 ] - [ -0.0001089000000000, -0.0008025600000000, -0.0004704700000000 ] - [ 0.0000148300000000, -0.0012418700000000, -0.0005537800000000 ] - [ 0.0002002400000000, -0.0004428900000000, 0.0003426600000000 ] - [ -0.0053708600000000, -0.0023476800000000, 0.0108870900000000 ] - [ 0.0013583700000000, -0.0027762100000000, 0.0002219900000000 ] - [ 0.0007150600000000, 0.0032743600000000, 0.0025753200000000 ] - [ -0.0006199600000000, -0.0002231300000000, -0.0001059700000000 ] - [ 0.0003487800000000, -0.0005526000000000, 0.0003626100000000 ] - [ -0.0015331200000000, 0.0003441000000000, -0.0019402600000000 ] - [ -0.0000395400000000, 0.0083330100000000, -0.0009295400000000 ] - [ -0.0000158100000000, -0.0005290900000000, -0.0008549300000000 ] - [ -0.0003161800000000, -0.0000831300000000, -0.0003030000000000 ] - [ -0.0001807000000000, 0.0000742400000000, -0.0000391600000000 ] - [ 0.0002721000000000, 0.0002355300000000, -0.0002029900000000 ] - [ 0.0001890000000000, 0.0000933100000000, 0.0001637100000000 ] - [ 0.0003495000000000, -0.0001376600000000, -0.0000949900000000 ] - [ 0.0000555600000000, 0.0003072600000000, -0.0000251600000000 ] - [ 0.0001172600000000, 0.0004562600000000, -0.0007737600000000 ] - [ -0.0005558800000000, 0.0001112700000000, -0.0000689700000000 ] - [ 0.0002417500000000, 0.0004176300000000, 0.0003027700000000 ] - [ -0.0002555700000000, 0.0003907500000000, 0.0003309200000000 ] - [ 0.0004689600000000, 0.0001779300000000, -0.0000982800000000 ] - [ 0.0000038700000000, 0.0004412600000000, -0.0007623600000000 ] - [ -0.0000255000000000, -0.0001889500000000, 0.0003906000000000 ] - [ -0.0001886700000000, -0.0001572200000000, -0.0000922300000000 ] - [ -0.0003100600000000, 0.0003053800000000, 0.0001679600000000 ] - [ 0.0002297200000000, -0.0003886800000000, 0.0002483400000000 ] - [ 0.0000964500000000, 0.0000294200000000, -0.0000001500000000 ] - [ 0.0001062700000000, -0.0001480600000000, 0.0001124900000000 ] - [ -0.0000273000000000, -0.0005336900000000, -0.0008991500000000 ] - [ 0.0000546000000000, -0.0001689800000000, -0.0000342700000000 ] - [ 0.0008553400000000, -0.0009248800000000, 0.0010428100000000 ] - [ -0.0003971000000000, -0.0005472500000000, 0.0003776200000000 ] - [ 0.0002577700000000, -0.0001697200000000, -0.0000423000000000 ] - [ 0.0001963500000000, -0.0005974500000000, -0.0007094200000000 ] - [ -0.0000570600000000, -0.0000973800000000, 0.0001710300000000 ] - [ -0.0000032600000000, 0.0000644000000000, -0.0000361800000000 ] - [ -0.0002920400000000, -0.0002863600000000, 0.0001679100000000 ] - [ 0.0004688500000000, -0.0000095000000000, -0.0001092900000000 ] - [ 0.0002329800000000, -0.0005605400000000, -0.0003458400000000 ] - [ -0.0000526700000000, -0.0003097300000000, 0.0005278000000000 ] - [ -0.0000369100000000, 0.0000279200000000, -0.0003149000000000 ] - [ -0.0000893600000000, -0.0000110200000000, -0.0000395700000000 ] - [ 0.0002543500000000, 0.0000294400000000, 0.0002064300000000 ] - [ -0.0002666000000000, 0.0000365900000000, 0.0002061600000000 ] - [ 0.0001918300000000, -0.0000577800000000, -0.0000444200000000 ] - [ 0.0000251500000000, 0.0000603100000000, -0.0003829400000000 ] - [ 0.0000150600000000, -0.0001171800000000, 0.0003709800000000 ] - [ -0.0002250700000000, -0.0004899000000000, -0.0003030400000000 ] - [ -0.0003754200000000, 0.0000270700000000, -0.0000243800000000 ] - [ 0.0003341600000000, -0.0001214600000000, 0.0000601800000000 ] - [ 0.0002404100000000, 0.0006321700000000, -0.0003783200000000 ] - [ -0.0001011100000000, 0.0002636100000000, 0.0005156400000000 ] - [ -0.0000289600000000, 0.0000866500000000, -0.0002500600000000 ] - [ -0.0000181100000000, -0.0000399100000000, -0.0000006300000000 ] - [ 0.0004108600000000, -0.0004598100000000, 0.0003589000000000 ] - [ -0.0001467300000000, 0.0001777900000000, 0.0001295100000000 ] - [ 0.0000424800000000, 0.0000664300000000, -0.0000226000000000 ] - [ 0.0000650400000000, -0.0004366000000000, -0.0007819900000000 ] - [ 0.0001864900000000, 0.0002953700000000, 0.0005288200000000 ] - [ -0.0000798200000000, 0.0001192300000000, -0.0000621700000000 ] - [ -0.0006406100000000, 0.0002838500000000, -0.0003364700000000 ] - [ 0.0005242900000000, 0.0000124500000000, -0.0001837300000000 ] - [ -0.0003179700000000, -0.0001424100000000, -0.0000064000000000 ] - [ 0.0009863700000000, 0.0006425300000000, -0.0002076500000000 ] - [ -0.0003508500000000, 0.0002707100000000, -0.0007968500000000 ] - [ 0.0003893000000000, -0.0002365900000000, -0.0000194200000000 ] - [ 0.0012400300000000, 0.0001200300000000, 0.0006286600000000 ] - [ -0.0010162600000000, 0.0002206200000000, 0.0004883000000000 ] - [ -0.0024879600000000, 0.0004149800000000, 0.0010895500000000 ] - [ 0.0014464200000000, -0.0022844800000000, -0.0007100900000000 ] - [ 0.0002055400000000, -0.0004891400000000, 0.0007877900000000 ] - [ -0.0010517600000000, -0.0006639300000000, -0.0004846400000000 ] - [ -0.0002466900000000, 0.0083247700000000, -0.0068280400000000 ] - [ 0.0003140700000000, -0.0002051900000000, 0.0001081800000000 ] - [ 0.0001356800000000, 0.0001189100000000, -0.0000697600000000 ] - [ 0.0000811900000000, -0.0000429200000000, 0.0001877300000000 ] - [ -0.0000305100000000, -0.0004528300000000, -0.0007784100000000 ] - [ -0.0004346300000000, -0.0000843300000000, -0.0000800800000000 ] - [ 0.0001660600000000, -0.0001912700000000, 0.0002420300000000 ] - [ -0.0003850200000000, -0.0004822000000000, 0.0003553300000000 ] - [ 0.0002591200000000, -0.0001228300000000, -0.0000447000000000 ] - [ -0.0000883600000000, -0.0002778600000000, -0.0005328300000000 ] - [ -0.0001195200000000, -0.0000748500000000, 0.0001495800000000 ] - [ -0.0003360800000000, 0.0002798200000000, -0.0002306000000000 ] - [ -0.0002820700000000, -0.0002814200000000, 0.0001690700000000 ] - [ 0.0002769500000000, 0.0000517800000000, 0.0000557300000000 ] - [ 0.0002867000000000, -0.0005725000000000, -0.0003607300000000 ] - [ -0.0000880400000000, -0.0003341700000000, 0.0005610800000000 ] - [ 0.0000177500000000, -0.0000266900000000, -0.0003197600000000 ] - [ -0.0004124600000000, -0.0001135400000000, -0.0000659400000000 ] - [ 0.0001495000000000, -0.0001094400000000, 0.0001391500000000 ] - [ -0.0001429000000000, -0.0001136900000000, 0.0001471900000000 ] - [ 0.0002515600000000, -0.0000742800000000, -0.0000461500000000 ] - [ -0.0000015800000000, -0.0000691900000000, -0.0002220000000000 ] - [ -0.0000054200000000, -0.0005644500000000, 0.0006243100000000 ] - [ -0.0003123600000000, -0.0006630300000000, -0.0004193200000000 ] - [ -0.0003924300000000, -0.0000219600000000, -0.0000557200000000 ] - [ 0.0001719800000000, -0.0052979200000000, -0.0004370500000000 ] - [ 0.0016087800000000, 0.0027556800000000, 0.0007315700000000 ] - [ -0.0012860700000000, -0.0003076300000000, -0.0000166300000000 ] - [ 0.0003249500000000, 0.0019744800000000, -0.0002857700000000 ] - [ -0.0003071800000000, -0.0027912700000000, -0.0003375500000000 ] - [ 0.0003930000000000, -0.0019179800000000, -0.0002536100000000 ] - [ 0.0005547900000000, -0.0002779500000000, -0.0001742100000000 ] - [ 0.0003424200000000, -0.0003398700000000, -0.0000520100000000 ] - [ -0.0003812000000000, -0.0003545100000000, -0.0001200300000000 ] - [ -0.0010556900000000, 0.0028438100000000, 0.0002159000000000 ] - [ 0.0008519700000000, -0.0002376100000000, -0.0001400600000000 ] - [ 0.0127862900000000, 0.0476399800000000, -0.0334910900000000 ] - [ -0.0005349300000000, -0.0011669400000000, -0.0001741900000000 ] - [ 0.0005792500000000, -0.0017737000000000, -0.0002181400000000 ] - [ -0.0011921300000000, -0.0005177700000000, -0.0000176800000000 ] - [ 0.0003917200000000, -0.0008185800000000, -0.0000053200000000 ] - [ -0.0207728600000000, -0.0688475800000000, 0.0330877800000000 ] - [ 0.0042358600000000, 0.0049312300000000, -0.0193065200000000 ] - [ 0.0010915900000000, 0.0009085400000000, 0.0003361400000000 ] - [ -0.0038127200000000, -0.0078572700000000, 0.0055646900000000 ] - [ 0.0090039600000000, 0.0114036100000000, -0.0151583100000000 ] - [ -0.0020101400000000, 0.0024344600000000, -0.0005472500000000 ] - [ 0.0018434300000000, 0.0001309100000000, 0.0013750500000000 ] - [ 0.0004322900000000, 0.0005604100000000, 0.0009887100000000 ] - [ 0.0009579000000000, 0.0003050000000000, -0.0004680000000000 ] - [ -0.0025876000000000, -0.0050694000000000, 0.0007747600000000 ] - [ 0.0011011600000000, 0.0004698900000000, 0.0000396300000000 ] - [ 0.0003670400000000, 0.0003105000000000, -0.0000335400000000 ] - [ -0.0004780000000000, -0.0006088400000000, -0.0001813800000000 ] - [ -0.0004393300000000, -0.0013478900000000, -0.0002124900000000 ] - [ 0.0012547800000000, -0.0002802500000000, 0.0002175700000000 ] - [ -0.0005774100000000, -0.0004063800000000, -0.0003348400000000 ] - [ -0.0005775100000000, -0.0001619100000000, 0.0009514100000000 ] - [ -0.0000741700000000, -0.0005997200000000, 0.0000528200000000 ] - [ 0.0004168500000000, 0.0002977300000000, -0.0002520800000000 ] - [ 0.0006197900000000, -0.0005066600000000, 0.0009162700000000 ] - [ 0.0007863500000000, -0.0000130100000000, -0.0004276400000000 ] - [ -0.0009544000000000, -0.0005880100000000, 0.0002314300000000 ] - [ 0.0001534300000000, 0.0004000300000000, -0.0000987500000000 ] - [ 0.0002221800000000, -0.0000955200000000, 0.0001434300000000 ] - [ -0.0000071300000000, 0.0003882400000000, 0.0000112800000000 ] - [ -0.0003339500000000, 0.0005260400000000, -0.0001045000000000 ] - [ 0.0005720000000000, 0.0010484800000000, 0.0002395400000000 ] - [ -0.0003774800000000, 0.0003671600000000, -0.0002774000000000 ] - [ -0.0003625800000000, 0.0006260600000000, 0.0010020300000000 ] - [ -0.0004029500000000, 0.0004673700000000, -0.0001439100000000 ] - [ 0.0003849900000000, 0.0004280100000000, -0.0001947100000000 ] - [ -0.0007834700000000, -0.0000695600000000, 0.0007247300000000 ] - [ -0.0002643800000000, 0.0006675000000000, -0.0004413000000000 ] - [ -0.0008364500000000, 0.0006287800000000, 0.0002024900000000 ] - [ 0.0001048900000000, 0.0003501900000000, -0.0000970000000000 ] - [ -0.0003249200000000, 0.0003107400000000, 0.0000325200000000 ] - [ -0.0001530400000000, 0.0003901500000000, 0.0002433600000000 ] - [ 0.0000635300000000, 0.0010011800000000, -0.0000746000000000 ] - [ 0.0005861800000000, 0.0000402800000000, 0.0001908200000000 ] - [ -0.0006509800000000, 0.0006882500000000, -0.0005083300000000 ] - [ -0.0001596300000000, 0.0006621700000000, 0.0008195100000000 ] - [ -0.0003406500000000, 0.0003991100000000, -0.0003457900000000 ] - [ 0.0002695900000000, -0.0000693100000000, -0.0002975100000000 ] - [ 0.0002448300000000, 0.0005350400000000, 0.0008586300000000 ] - [ 0.0005093100000000, 0.0005649500000000, -0.0004154700000000 ] - [ -0.0007478300000000, 0.0000053300000000, 0.0001834300000000 ] - [ 0.0000486900000000, 0.0004577900000000, -0.0000791700000000 ] - [ 0.0001000300000000, 0.0002167200000000, 0.0001858800000000 ] - [ -0.0000926800000000, -0.0004436700000000, 0.0002576600000000 ] - [ 0.0001548100000000, -0.0009102900000000, -0.0000718600000000 ] - [ 0.0006737700000000, 0.0003125700000000, 0.0001557700000000 ] - [ -0.0004776500000000, -0.0009696700000000, -0.0004058700000000 ] - [ -0.0003984800000000, -0.0006749400000000, 0.0007963200000000 ] - [ -0.0001492100000000, -0.0002156000000000, -0.0003330900000000 ] - [ 0.0000004900000000, -0.0004805400000000, -0.0002510900000000 ] - [ 0.0002391900000000, 0.0003352000000000, 0.0009630200000000 ] - [ 0.0000338300000000, 0.0000858100000000, -0.0002670800000000 ] - [ -0.0005728200000000, -0.0005705500000000, 0.0002030100000000 ] - [ -0.0003132200000000, -0.0003895800000000, -0.0001874800000000 ] - [ -0.0002697200000000, 0.0001732900000000, 0.0001579200000000 ] - [ 0.0016709200000000, -0.0006124700000000, -0.0006555200000000 ] - [ -0.0012958600000000, -0.0020899300000000, 0.0000003800000000 ] - [ 0.0000408300000000, 0.0000196100000000, 0.0002276200000000 ] - [ 0.0013278000000000, -0.0009989600000000, -0.0006528000000000 ] - [ 0.0007898800000000, 0.0007159300000000, 0.0009333500000000 ] - [ -0.0020697700000000, -0.0008665400000000, -0.0005848900000000 ] - [ 0.0001110300000000, 0.0006208900000000, -0.0004719800000000 ] - [ -0.0028980600000000, 0.0013937300000000, 0.0062143300000000 ] - [ -0.0001593600000000, 0.0014661900000000, -0.0006464600000000 ] - [ 0.0085198300000000, 0.0033038000000000, 0.0184964000000000 ] - [ -0.0005429100000000, 0.0019329100000000, -0.0001139100000000 ] - [ -0.0001288400000000, 0.0010275400000000, 0.0001429100000000 ] - [ -0.0000363200000000, 0.0002475100000000, 0.0000684200000000 ] - [ -0.0002498300000000, 0.0001807000000000, -0.0000935400000000 ] - [ 0.0009454100000000, 0.0003402800000000, 0.0002175500000000 ] - [ -0.0004424900000000, 0.0001917000000000, -0.0003434900000000 ] - [ -0.0002887100000000, 0.0003278600000000, 0.0009589300000000 ] - [ -0.0004657500000000, 0.0002707700000000, -0.0002112700000000 ] - [ 0.0004878400000000, 0.0003133300000000, -0.0001821300000000 ] - [ 0.0005502800000000, -0.0002399800000000, 0.0008698700000000 ] - [ 0.0008691700000000, -0.0000917900000000, -0.0004579800000000 ] - [ -0.0008350800000000, 0.0005824400000000, 0.0001983900000000 ] - [ 0.0004221500000000, 0.0002299800000000, -0.0000728200000000 ] - [ 0.0003502200000000, 0.0001730600000000, 0.0001399000000000 ] - [ -0.0002312900000000, 0.0003902900000000, 0.0002609000000000 ] - [ 0.0000654500000000, 0.0010099900000000, -0.0000909600000000 ] - [ 0.0009986000000000, 0.0000698500000000, 0.0001857200000000 ] - [ -0.0007913500000000, 0.0007864400000000, -0.0004996600000000 ] - [ -0.0004287800000000, 0.0006080100000000, 0.0008766200000000 ] - [ -0.0002224000000000, 0.0005147400000000, -0.0003183300000000 ] - [ 0.0011352300000000, 0.0006201500000000, -0.0007289900000000 ] - [ 0.0003332500000000, 0.0007840700000000, 0.0008234300000000 ] - [ 0.0010070600000000, 0.0009835300000000, -0.0006405400000000 ] - [ -0.0008025700000000, 0.0001448400000000, 0.0001762700000000 ] - [ -0.0001653800000000, 0.0018921300000000, 0.0000361400000000 ] - [ 0.0003181200000000, 0.0006283500000000, 0.0003765200000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031452500000000, -0.0013603400000000, -0.0005211300000000 ] - [ 0.0000351800000000, -0.0002718300000000, -0.0003752400000000 ] - [ -0.0001496200000000, 0.0008276600000000, -0.0004599400000000 ] - [ 0.0000698900000000, 0.0004865800000000, -0.0005055700000000 ] - [ -0.0016529000000000, -0.0013885800000000, -0.0006051900000000 ] - [ 0.0003379300000000, 0.0036134400000000, -0.0013411700000000 ] - [ 0.0001092800000000, 0.0008003000000000, -0.0004403400000000 ] - [ -0.0000158000000000, 0.0012372000000000, -0.0003579000000000 ] - [ 0.0004679000000000, 0.0001530400000000, -0.0002111400000000 ] - [ 0.0057043500000000, 0.0031101500000000, -0.0111772400000000 ] - [ -0.0013343500000000, 0.0030149300000000, 0.0004438100000000 ] - [ -0.0007494800000000, -0.0037262900000000, -0.0037011200000000 ] - [ 0.0001409200000000, 0.0001431100000000, 0.0000160100000000 ] - [ 0.0002525700000000, 0.0000691900000000, 0.0001820300000000 ] - [ 0.0009220800000000, -0.0008087500000000, 0.0024584600000000 ] - [ 0.0005519400000000, -0.0083699600000000, 0.0007846700000000 ] - [ 0.0000594200000000, 0.0000338100000000, -0.0002935900000000 ] - [ 0.0002914200000000, 0.0003141700000000, 0.0009916500000000 ] - [ -0.0001987700000000, 0.0005679600000000, -0.0003511300000000 ] - [ -0.0009389700000000, -0.0005324100000000, 0.0003468600000000 ] - [ 0.0004794900000000, 0.0001948700000000, -0.0000329300000000 ] - [ 0.0000301900000000, -0.0005074400000000, -0.0002971100000000 ] - [ -0.0000275500000000, -0.0005322200000000, 0.0007147500000000 ] - [ -0.0001609800000000, 0.0000364300000000, -0.0003723600000000 ] - [ 0.0000783400000000, -0.0000310200000000, -0.0000208100000000 ] - [ 0.0003602500000000, 0.0000675100000000, 0.0002422400000000 ] - [ -0.0003447600000000, 0.0000898200000000, 0.0002125900000000 ] - [ 0.0000119700000000, -0.0000979800000000, 0.0000082700000000 ] - [ 0.0000402100000000, 0.0000552700000000, -0.0003872400000000 ] - [ -0.0000006000000000, -0.0000396900000000, 0.0003019000000000 ] - [ -0.0001897600000000, -0.0004836900000000, -0.0002973000000000 ] - [ -0.0003586500000000, -0.0000164200000000, -0.0000370300000000 ] - [ 0.0004396700000000, 0.0001009400000000, -0.0001183200000000 ] - [ 0.0002822900000000, 0.0006123300000000, -0.0003898900000000 ] - [ -0.0000803800000000, 0.0003763100000000, 0.0005797900000000 ] - [ -0.0000167800000000, 0.0000383000000000, -0.0002494400000000 ] - [ -0.0005319000000000, 0.0000894800000000, -0.0000553600000000 ] - [ -0.0002529800000000, 0.0004386400000000, -0.0005057400000000 ] - [ -0.0002047300000000, 0.0000640200000000, 0.0001669600000000 ] - [ 0.0002187800000000, 0.0000898800000000, -0.0000475500000000 ] - [ -0.0001529200000000, 0.0001020800000000, -0.0004400100000000 ] - [ 0.0000305900000000, 0.0003255200000000, 0.0005207900000000 ] - [ -0.0003753700000000, 0.0005771200000000, -0.0003533700000000 ] - [ -0.0003775600000000, -0.0000016400000000, -0.0000380600000000 ] - [ 0.0002007200000000, 0.0002970000000000, 0.0002387700000000 ] - [ 0.0001460900000000, -0.0000825600000000, -0.0000451900000000 ] - [ 0.0000786600000000, 0.0000807700000000, 0.0001647900000000 ] - [ -0.0000071600000000, 0.0004664700000000, -0.0008324300000000 ] - [ -0.0003875900000000, 0.0000903800000000, -0.0000501700000000 ] - [ 0.0003465400000000, 0.0004518200000000, 0.0003372700000000 ] - [ -0.0003349800000000, 0.0004457400000000, 0.0003381000000000 ] - [ 0.0002850100000000, 0.0001371700000000, -0.0000455000000000 ] - [ 0.0000187600000000, 0.0004337100000000, -0.0007640700000000 ] - [ -0.0000404400000000, -0.0001123500000000, 0.0003227300000000 ] - [ -0.0001542700000000, -0.0001533000000000, -0.0000881100000000 ] - [ -0.0002941900000000, 0.0002603900000000, 0.0001537700000000 ] - [ 0.0003356500000000, -0.0001658500000000, 0.0000693100000000 ] - [ 0.0001395800000000, 0.0000123400000000, -0.0000135200000000 ] - [ 0.0001271200000000, -0.0000347300000000, 0.0001770700000000 ] - [ -0.0000147600000000, -0.0005794000000000, -0.0008958300000000 ] - [ -0.0004566200000000, -0.0000393800000000, -0.0000887800000000 ] - [ 0.0001912900000000, -0.0000234900000000, 0.0001858700000000 ] - [ -0.0004538200000000, -0.0006581200000000, 0.0004140600000000 ] - [ 0.0004343400000000, -0.0001454800000000, -0.0000672400000000 ] - [ -0.0000207700000000, -0.0000589100000000, -0.0003669700000000 ] - [ -0.0002112900000000, -0.0000651200000000, 0.0001652600000000 ] - [ -0.0002985600000000, 0.0005224300000000, -0.0003277100000000 ] - [ -0.0000303700000000, -0.0005703000000000, 0.0004645700000000 ] - [ 0.0001461300000000, 0.0002750300000000, 0.0003120100000000 ] - [ 0.0006946900000000, -0.0005011500000000, -0.0003845100000000 ] - [ -0.0009556200000000, -0.0008677500000000, 0.0008993300000000 ] - [ 0.0003060500000000, 0.0002240800000000, -0.0003528000000000 ] - [ -0.0008634200000000, 0.0003138400000000, -0.0000710800000000 ] - [ -0.0006322200000000, 0.0003629100000000, -0.0000808500000000 ] - [ 0.0004162200000000, 0.0002619600000000, 0.0000577700000000 ] - [ 0.0029319800000000, -0.0003329800000000, -0.0011696400000000 ] - [ -0.0013911600000000, 0.0027577200000000, -0.0004361700000000 ] - [ -0.0002306300000000, 0.0002590000000000, -0.0000935800000000 ] - [ 0.0006651000000000, 0.0000222300000000, 0.0000906500000000 ] - [ -0.0005253100000000, -0.0080178200000000, 0.0067752100000000 ] - [ 0.0003554100000000, -0.0000828000000000, 0.0000217000000000 ] - [ 0.0002432200000000, 0.0005229600000000, -0.0003203300000000 ] - [ -0.0000548300000000, 0.0002712900000000, 0.0005042400000000 ] - [ -0.0000134500000000, -0.0000425000000000, -0.0003702100000000 ] - [ -0.0000422900000000, 0.0000045900000000, -0.0000096600000000 ] - [ 0.0004355200000000, -0.0002919500000000, 0.0003026400000000 ] - [ -0.0002165900000000, -0.0000009500000000, 0.0001891500000000 ] - [ 0.0002183300000000, 0.0000430500000000, -0.0000452900000000 ] - [ 0.0001322200000000, -0.0002178500000000, -0.0006159100000000 ] - [ 0.0000932600000000, 0.0003030400000000, 0.0005422100000000 ] - [ -0.0000426000000000, 0.0003619100000000, -0.0001593900000000 ] - [ -0.0003871100000000, -0.0000067500000000, -0.0000388900000000 ] - [ 0.0003927700000000, 0.0002356000000000, 0.0000734600000000 ] - [ 0.0000924900000000, -0.0000704100000000, -0.0000300500000000 ] - [ 0.0001139100000000, 0.0001048700000000, 0.0001319300000000 ] - [ -0.0000615600000000, 0.0005209600000000, -0.0008277800000000 ] - [ -0.0000646900000000, 0.0001928300000000, -0.0000239100000000 ] - [ 0.0004516000000000, 0.0005910600000000, 0.0004048300000000 ] - [ -0.0004581100000000, 0.0005953500000000, 0.0003967300000000 ] - [ 0.0002252200000000, 0.0001535800000000, -0.0000437200000000 ] - [ 0.0000454900000000, 0.0005632300000000, -0.0009251400000000 ] - [ -0.0000195300000000, 0.0003360500000000, 0.0000688500000000 ] - [ -0.0000670200000000, 0.0000197800000000, 0.0000282000000000 ] - [ -0.0002772400000000, 0.0003093900000000, 0.0001851500000000 ] - [ -0.0010179200000000, 0.0039905600000000, 0.0001750500000000 ] - [ -0.0007579400000000, -0.0040592000000000, -0.0010046200000000 ] - [ 0.0004404900000000, 0.0015966300000000, -0.0002465200000000 ] - [ 0.0005238000000000, -0.0006807300000000, 0.0000221500000000 ] - [ -0.0005345300000000, 0.0014994500000000, 0.0000740200000000 ] - [ 0.0004477300000000, 0.0006261000000000, -0.0000098400000000 ] - [ -0.0013985900000000, 0.0015625500000000, -0.0000878500000000 ] - [ 0.0004999400000000, 0.0016248400000000, -0.0002112100000000 ] - [ -0.0004578200000000, -0.0009297600000000, -0.0001432400000000 ] - [ 0.0018924100000000, -0.0041253900000000, -0.0004716700000000 ] - [ -0.0016865800000000, 0.0015212500000000, -0.0001226300000000 ] - [ -0.0118638600000000, -0.0458952200000000, 0.0328159500000000 ] - [ -0.0003068400000000, -0.0001239900000000, -0.0000895400000000 ] - [ 0.0002644500000000, 0.0004820100000000, -0.0000458300000000 ] - [ 0.0003493000000000, 0.0018006600000000, -0.0002448300000000 ] - [ 0.0004496100000000, 0.0021017800000000, -0.0002580300000000 ] - [ 0.0205481900000000, 0.0680354600000000, -0.0321458900000000 ] - [ -0.0044460300000000, -0.0057785800000000, 0.0194797800000000 ] - [ 0.0005149300000000, -0.0003721300000000, 0.0000347000000000 ] - [ 0.0027123800000000, 0.0073280800000000, -0.0063828600000000 ] - [ -0.0093896600000000, -0.0113628800000000, 0.0166195400000000 ] - [ 0.0012923300000000, -0.0025352900000000, 0.0000456400000000 ] - [ -0.0011013300000000, -0.0002088300000000, -0.0018751600000000 ] - [ 0.0001708700000000, -0.0007331600000000, 0.0008320700000000 ] - [ 0.0001763800000000, -0.0007719400000000, -0.0003503200000000 ] - [ 0.0008770200000000, 0.0056124000000000, -0.0003692400000000 ] - [ -0.0008700400000000, -0.0011270500000000, -0.0002152400000000 ] - [ -0.0001494000000000, -0.0003877500000000, 0.0003340600000000 ] - [ 0.0002562500000000, 0.0006919700000000, 0.0004789600000000 ] - [ 0.0002071200000000, 0.0019987900000000, 0.0000388100000000 ] - [ 0.0003508100000000, -0.0002539200000000, 0.0001532900000000 ] - [ -0.0005595500000000, 0.0008786000000000, -0.0004829100000000 ] - [ -0.0000261900000000, 0.0003411000000000, 0.0008689900000000 ] - [ -0.0006542300000000, 0.0006708100000000, -0.0005696400000000 ] - [ 0.0003095700000000, -0.0002201900000000, -0.0002667700000000 ] - [ -0.0000174900000000, 0.0006775800000000, 0.0009041500000000 ] - [ 0.0003444900000000, 0.0004781900000000, -0.0003900200000000 ] - [ -0.0006536100000000, 0.0000549100000000, 0.0001399200000000 ] - [ 0.0000746900000000, 0.0002550600000000, -0.0000784600000000 ] - [ -0.0000071700000000, 0.0001718500000000, 0.0001575600000000 ] - [ -0.0002073900000000, -0.0004641600000000, 0.0002889400000000 ] - [ 0.0001056400000000, -0.0011800900000000, -0.0000731100000000 ] - [ 0.0010327800000000, -0.0005153200000000, 0.0001314100000000 ] - [ -0.0007544700000000, -0.0008338400000000, -0.0005406200000000 ] - [ -0.0002395600000000, -0.0007989100000000, 0.0008186400000000 ] - [ -0.0003233400000000, -0.0005430700000000, -0.0003750200000000 ] - [ 0.0003415700000000, -0.0005043500000000, -0.0003229500000000 ] - [ 0.0013885800000000, -0.0001025800000000, 0.0010968300000000 ] - [ 0.0013970300000000, -0.0011356900000000, -0.0003750900000000 ] - [ -0.0007676200000000, -0.0000955000000000, 0.0001687400000000 ] - [ 0.0001241200000000, -0.0010037800000000, -0.0000801200000000 ] - [ 0.0005403700000000, -0.0003874500000000, 0.0002683800000000 ] - [ -0.0000621500000000, -0.0003115700000000, 0.0000578600000000 ] - [ -0.0002908400000000, -0.0003431400000000, -0.0001019800000000 ] - [ 0.0010183900000000, -0.0005715900000000, 0.0001803300000000 ] - [ -0.0004798400000000, -0.0002191700000000, -0.0003091400000000 ] - [ -0.0004426800000000, -0.0004854200000000, 0.0010009300000000 ] - [ -0.0003857700000000, -0.0003196100000000, -0.0001717400000000 ] - [ 0.0004557600000000, 0.0001493900000000, -0.0002217800000000 ] - [ 0.0003572200000000, -0.0003588700000000, 0.0009614600000000 ] - [ 0.0006239400000000, -0.0000946100000000, -0.0004034800000000 ] - [ -0.0008568500000000, -0.0005367100000000, 0.0001875800000000 ] - [ 0.0001777700000000, 0.0002008900000000, -0.0000981800000000 ] - [ 0.0001153700000000, -0.0001379500000000, 0.0001158900000000 ] - [ -0.0001240800000000, 0.0003647900000000, 0.0000440900000000 ] - [ -0.0003829300000000, 0.0002532300000000, -0.0001056700000000 ] - [ 0.0009292100000000, 0.0002197600000000, 0.0002147900000000 ] - [ -0.0006575100000000, 0.0004980600000000, -0.0004132700000000 ] - [ -0.0002061600000000, 0.0004965700000000, 0.0010231800000000 ] - [ -0.0005769400000000, 0.0001387000000000, -0.0001856700000000 ] - [ 0.0007233500000000, 0.0004007400000000, -0.0002676800000000 ] - [ 0.0003616500000000, -0.0005080200000000, 0.0008575900000000 ] - [ 0.0010937000000000, -0.0005525300000000, -0.0005498200000000 ] - [ -0.0010311500000000, 0.0010995900000000, 0.0001684100000000 ] - [ 0.0005385800000000, -0.0002668100000000, 0.0000097100000000 ] - [ 0.0004825700000000, -0.0002496500000000, 0.0001432700000000 ] - [ -0.0018724200000000, 0.0006886300000000, 0.0009493400000000 ] - [ 0.0010670500000000, 0.0027381700000000, -0.0001773000000000 ] - [ 0.0015581800000000, -0.0005502000000000, 0.0001439300000000 ] - [ -0.0024639900000000, 0.0014694200000000, -0.0001538500000000 ] - [ -0.0013898100000000, -0.0005362300000000, 0.0008885000000000 ] - [ 0.0013344000000000, 0.0009375500000000, 0.0000626800000000 ] - [ 0.0006156500000000, -0.0005414000000000, -0.0000492600000000 ] - [ 0.0034334600000000, -0.0011487300000000, -0.0043207200000000 ] - [ 0.0012879000000000, -0.0009891000000000, -0.0001758000000000 ] - [ -0.0101816300000000, -0.0038150500000000, -0.0183011700000000 ] - [ 0.0007692800000000, -0.0012675200000000, -0.0000626200000000 ] - [ 0.0003456900000000, -0.0009446100000000, 0.0001587100000000 ] - [ -0.0001793000000000, -0.0003240900000000, 0.0002328500000000 ] - [ 0.0000213200000000, -0.0008346500000000, -0.0000839300000000 ] - [ 0.0006588200000000, 0.0001927600000000, 0.0001541000000000 ] - [ -0.0006905600000000, -0.0006597100000000, -0.0004749500000000 ] - [ -0.0003137800000000, -0.0005003200000000, 0.0008616500000000 ] - [ -0.0002617500000000, -0.0003471100000000, -0.0003078500000000 ] - [ 0.0002388400000000, -0.0003890300000000, -0.0003367400000000 ] - [ 0.0000520800000000, 0.0000666800000000, 0.0009505700000000 ] - [ 0.0002618500000000, -0.0003747300000000, -0.0003600200000000 ] - [ -0.0007695500000000, -0.0000489600000000, 0.0001724000000000 ] - [ -0.0001928800000000, -0.0008837500000000, -0.0001043900000000 ] - [ -0.0001349300000000, -0.0002497500000000, 0.0001612700000000 ] - [ 0.0000152400000000, -0.0003114800000000, 0.0000404500000000 ] - [ -0.0002926100000000, -0.0003520000000000, -0.0000860200000000 ] - [ 0.0006060200000000, -0.0006010800000000, 0.0001853300000000 ] - [ -0.0003406100000000, -0.0003158700000000, -0.0003183400000000 ] - [ -0.0001729700000000, -0.0004322300000000, 0.0009442200000000 ] - [ -0.0005043500000000, -0.0004355500000000, -0.0002006700000000 ] - [ -0.0004107900000000, -0.0005402900000000, 0.0002082700000000 ] - [ 0.0002693700000000, -0.0006076700000000, 0.0009967500000000 ] - [ 0.0001250300000000, -0.0005136700000000, -0.0001774400000000 ] - [ -0.0008014300000000, -0.0006761700000000, 0.0001943300000000 ] - [ 0.0003929100000000, -0.0012329000000000, -0.0002126700000000 ] - [ -0.0001023000000000, -0.0005496400000000, -0.0000753900000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020108400000000, 0.0012417500000000, -0.0003640900000000 ] - [ -0.0000183400000000, -0.0001503700000000, -0.0004455100000000 ] - [ -0.0000774800000000, 0.0002642800000000, -0.0004591300000000 ] - [ 0.0000512000000000, 0.0001597500000000, -0.0004640100000000 ] - [ 0.0007107900000000, -0.0002429100000000, -0.0009471500000000 ] - [ 0.0017774800000000, -0.0001977500000000, -0.0040131300000000 ] - [ 0.0000658000000000, 0.0001925700000000, -0.0004375400000000 ] - [ -0.0000161800000000, 0.0003500300000000, -0.0003960600000000 ] - [ 0.0003597400000000, -0.0002085900000000, -0.0000569700000000 ] - [ 0.0082705700000000, 0.0155640800000000, -0.0077599400000000 ] - [ -0.0012181900000000, 0.0005171500000000, 0.0046312500000000 ] - [ 0.0004015900000000, -0.0070484100000000, -0.0097232500000000 ] - [ -0.0001878100000000, -0.0000585300000000, -0.0000482300000000 ] - [ 0.0002711200000000, -0.0001350700000000, 0.0002312500000000 ] - [ -0.0019605500000000, -0.0030573800000000, 0.0024179200000000 ] - [ 0.0199919500000000, -0.0015026700000000, 0.0055838900000000 ] - [ 0.0000302200000000, -0.0001480200000000, -0.0004716700000000 ] - [ -0.0001501000000000, -0.0000872200000000, -0.0001882700000000 ] - [ -0.0002039800000000, 0.0004029700000000, -0.0002471700000000 ] - [ -0.0008802500000000, -0.0016766400000000, 0.0036045300000000 ] - [ 0.0003178300000000, 0.0001244700000000, 0.0000861300000000 ] - [ 0.0001725600000000, -0.0004929800000000, -0.0001561200000000 ] - [ -0.0001338800000000, -0.0001903100000000, 0.0006411400000000 ] - [ -0.0000000500000000, 0.0001392400000000, -0.0006441400000000 ] - [ -0.0001229500000000, 0.0000317800000000, -0.0000396000000000 ] - [ 0.0003270600000000, 0.0002781600000000, 0.0002531800000000 ] - [ -0.0003160500000000, 0.0001823200000000, 0.0002958300000000 ] - [ 0.0002487400000000, -0.0000658900000000, 0.0000892800000000 ] - [ 0.0000144500000000, 0.0002185600000000, -0.0005675400000000 ] - [ -0.0000081200000000, -0.0000847000000000, 0.0003271700000000 ] - [ -0.0001596100000000, -0.0003265700000000, -0.0002039300000000 ] - [ -0.0003406800000000, 0.0001150100000000, 0.0000734200000000 ] - [ 0.0003610100000000, -0.0000837800000000, 0.0000241700000000 ] - [ 0.0002227100000000, 0.0004162900000000, -0.0002637500000000 ] - [ -0.0000185600000000, 0.0001966500000000, 0.0004182100000000 ] - [ -0.0000194200000000, -0.0001544600000000, -0.0004598700000000 ] - [ -0.0003229100000000, 0.0000157300000000, -0.0000736500000000 ] - [ 0.0003190600000000, -0.0000237800000000, 0.0003224300000000 ] - [ -0.0002718300000000, -0.0001437100000000, 0.0002390000000000 ] - [ 0.0002258700000000, 0.0000028700000000, -0.0000458600000000 ] - [ -0.0002622600000000, 0.0001016300000000, -0.0003762100000000 ] - [ -0.0000031800000000, 0.0001812300000000, 0.0003989300000000 ] - [ -0.0002286400000000, 0.0004633300000000, -0.0004779400000000 ] - [ -0.0003519500000000, -0.0000974200000000, 0.0000286000000000 ] - [ 0.0002772800000000, 0.0002092600000000, 0.0001295700000000 ] - [ 0.0001724100000000, -0.0002401800000000, -0.0001442700000000 ] - [ 0.0000292300000000, -0.0000547600000000, 0.0002923800000000 ] - [ -0.0000212100000000, 0.0003177700000000, -0.0006648000000000 ] - [ -0.0003168200000000, 0.0000560900000000, -0.0000523200000000 ] - [ 0.0003050400000000, 0.0002960500000000, 0.0002867800000000 ] - [ -0.0003142400000000, 0.0003092000000000, 0.0002947100000000 ] - [ 0.0002496200000000, 0.0000713500000000, -0.0000441300000000 ] - [ 0.0000169300000000, 0.0002967000000000, -0.0006231800000000 ] - [ -0.0000352900000000, -0.0001104800000000, 0.0003398000000000 ] - [ -0.0001869900000000, -0.0002799700000000, -0.0001702400000000 ] - [ -0.0003226600000000, 0.0001774500000000, 0.0000912400000000 ] - [ 0.0003517700000000, -0.0001321800000000, 0.0000480500000000 ] - [ 0.0001867100000000, 0.0002513300000000, -0.0001592500000000 ] - [ 0.0000074400000000, 0.0000645100000000, 0.0003043500000000 ] - [ -0.0000202200000000, -0.0003172100000000, -0.0006460700000000 ] - [ -0.0002437100000000, -0.0000340800000000, -0.0000505200000000 ] - [ 0.0002823500000000, -0.0001912400000000, 0.0002533800000000 ] - [ -0.0003511600000000, -0.0003287400000000, 0.0003165400000000 ] - [ 0.0002596400000000, -0.0000675900000000, -0.0000416200000000 ] - [ 0.0000161400000000, -0.0002054700000000, -0.0005251800000000 ] - [ -0.0000753400000000, 0.0001300800000000, 0.0003680400000000 ] - [ -0.0002090500000000, 0.0003591800000000, -0.0002246800000000 ] - [ -0.0003835300000000, -0.0001539000000000, -0.0001084800000000 ] - [ 0.0003395400000000, 0.0001681300000000, -0.0000175100000000 ] - [ -0.0001799400000000, -0.0007259800000000, -0.0002976200000000 ] - [ -0.0011950900000000, 0.0002103900000000, 0.0006990600000000 ] - [ 0.0001873800000000, 0.0003314400000000, -0.0009715700000000 ] - [ -0.0004750400000000, -0.0001120100000000, -0.0002194600000000 ] - [ -0.0003185500000000, 0.0009491100000000, 0.0001371500000000 ] - [ -0.0002791400000000, 0.0000963200000000, 0.0006669500000000 ] - [ -0.0022906300000000, 0.0002906500000000, 0.0030465200000000 ] - [ -0.0004310100000000, 0.0002251900000000, 0.0015096300000000 ] - [ -0.0000916900000000, -0.0000103100000000, 0.0001593200000000 ] - [ -0.0008097000000000, -0.0011257700000000, -0.0012870500000000 ] - [ -0.0174935000000000, -0.0206609800000000, -0.0254036800000000 ] - [ 0.0003295700000000, -0.0001364000000000, 0.0000644900000000 ] - [ 0.0002026300000000, 0.0003753700000000, -0.0002285400000000 ] - [ -0.0000017900000000, 0.0001580700000000, 0.0003876400000000 ] - [ -0.0000212400000000, -0.0001943100000000, -0.0005205300000000 ] - [ -0.0002036800000000, -0.0000344900000000, -0.0000385100000000 ] - [ 0.0003172600000000, -0.0002898700000000, 0.0002811700000000 ] - [ -0.0002793900000000, -0.0001799600000000, 0.0002501000000000 ] - [ 0.0002384900000000, -0.0000187000000000, -0.0000457500000000 ] - [ 0.0000152200000000, -0.0002829700000000, -0.0005644800000000 ] - [ 0.0000129000000000, 0.0001524400000000, 0.0003798900000000 ] - [ -0.0001143900000000, 0.0003607300000000, -0.0001978000000000 ] - [ -0.0003462400000000, -0.0001067500000000, 0.0000388400000000 ] - [ 0.0003730600000000, 0.0001508900000000, 0.0000412100000000 ] - [ 0.0001662400000000, -0.0002530500000000, -0.0001507700000000 ] - [ 0.0000489500000000, -0.0000493400000000, 0.0002792800000000 ] - [ -0.0000369900000000, 0.0003256200000000, -0.0006396700000000 ] - [ -0.0001075100000000, 0.0000709000000000, -0.0000189100000000 ] - [ 0.0003661800000000, 0.0003619500000000, 0.0003273500000000 ] - [ -0.0003457400000000, 0.0003418700000000, 0.0003036400000000 ] - [ 0.0002393000000000, 0.0000721700000000, -0.0000457600000000 ] - [ 0.0000344700000000, 0.0003589700000000, -0.0007147700000000 ] - [ 0.0001468300000000, 0.0000980800000000, 0.0005203500000000 ] - [ -0.0001363000000000, -0.0002007300000000, -0.0001136200000000 ] - [ -0.0003175700000000, 0.0001949300000000, 0.0001008700000000 ] - [ -0.0017314000000000, 0.0024549000000000, -0.0000761000000000 ] - [ -0.0039343200000000, -0.0001699400000000, -0.0048126200000000 ] - [ -0.0002426900000000, 0.0010378100000000, -0.0002440700000000 ] - [ 0.0004884800000000, 0.0001284900000000, -0.0002530800000000 ] - [ -0.0005458500000000, 0.0003519600000000, -0.0000456700000000 ] - [ 0.0004106000000000, -0.0002378600000000, -0.0000956900000000 ] - [ -0.0008181200000000, 0.0008508300000000, -0.0001789600000000 ] - [ 0.0004427300000000, 0.0009284500000000, -0.0001592600000000 ] - [ -0.0003091400000000, -0.0006256000000000, -0.0001484600000000 ] - [ 0.0010029100000000, -0.0023574000000000, 0.0019124600000000 ] - [ -0.0007310300000000, 0.0006603100000000, 0.0000113800000000 ] - [ -0.0516328000000000, -0.0304178300000000, 0.1869896700000000 ] - [ -0.0004602400000000, -0.0005596700000000, -0.0001202800000000 ] - [ 0.0003925900000000, -0.0003407400000000, -0.0001114800000000 ] - [ -0.0001967800000000, 0.0005373800000000, -0.0001666200000000 ] - [ 0.0004342100000000, 0.0010957500000000, -0.0001763700000000 ] - [ 0.0436857700000000, 0.0341519300000000, -0.2430393800000000 ] - [ 0.0003943500000000, -0.0108356700000000, 0.0057090900000000 ] - [ 0.0007406300000000, 0.0002024600000000, 0.0000571600000000 ] - [ 0.0073591700000000, 0.0053142100000000, 0.0198325800000000 ] - [ -0.0106983700000000, -0.0145914600000000, 0.0184817500000000 ] - [ 0.0000127400000000, 0.0004741200000000, -0.0023641800000000 ] - [ 0.0013839600000000, 0.0013360900000000, -0.0014962700000000 ] - [ 0.0002771400000000, -0.0003065800000000, 0.0008744300000000 ] - [ 0.0004647600000000, -0.0004021600000000, -0.0003763700000000 ] - [ -0.0184684800000000, 0.0019301300000000, -0.0017133000000000 ] - [ -0.0002482800000000, -0.0007316700000000, 0.0003495500000000 ] - [ 0.0001132500000000, -0.0001554000000000, 0.0002884400000000 ] - [ -0.0000341400000000, 0.0008426600000000, -0.0012807300000000 ] - [ 0.0008188900000000, 0.0005491200000000, 0.0009586100000000 ] - [ 0.0006934300000000, -0.0003832500000000, 0.0001315400000000 ] - [ 0.0004050200000000, 0.0004416000000000, -0.0000226800000000 ] - [ -0.0002491200000000, 0.0002852000000000, 0.0009298700000000 ] - [ -0.0005333100000000, -0.0000538800000000, -0.0005735200000000 ] - [ 0.0003500600000000, -0.0000488100000000, -0.0002531900000000 ] - [ 0.0000970300000000, 0.0002593500000000, 0.0009837100000000 ] - [ 0.0004172500000000, 0.0002065900000000, -0.0003935500000000 ] - [ -0.0008029400000000, -0.0001511100000000, 0.0001442100000000 ] - [ 0.0000931500000000, 0.0002721700000000, -0.0000907700000000 ] - [ 0.0000299700000000, 0.0000428500000000, 0.0001395400000000 ] - [ -0.0001362000000000, -0.0001751400000000, 0.0001908600000000 ] - [ -0.0000426400000000, -0.0006035900000000, -0.0000888200000000 ] - [ 0.0008645000000000, 0.0000967600000000, 0.0002019000000000 ] - [ -0.0006182300000000, -0.0004215900000000, -0.0004547800000000 ] - [ -0.0002756100000000, -0.0003582500000000, 0.0008710600000000 ] - [ -0.0003409800000000, -0.0002030700000000, -0.0002787100000000 ] - [ 0.0003722000000000, -0.0001933200000000, -0.0002707500000000 ] - [ 0.0010296600000000, -0.0004657200000000, 0.0013556000000000 ] - [ 0.0007834500000000, -0.0004093400000000, -0.0006403500000000 ] - [ -0.0007868400000000, 0.0001510400000000, 0.0001919000000000 ] - [ 0.0001445000000000, -0.0005624600000000, -0.0000649400000000 ] - [ 0.0003117700000000, -0.0002205100000000, 0.0002900800000000 ] - [ -0.0000842100000000, -0.0000743100000000, 0.0001143200000000 ] - [ -0.0001617500000000, 0.0001238700000000, -0.0000976700000000 ] - [ 0.0009008500000000, -0.0003691900000000, 0.0001925400000000 ] - [ -0.0005242000000000, 0.0000787700000000, -0.0003731500000000 ] - [ -0.0003472200000000, -0.0001019000000000, 0.0009477400000000 ] - [ -0.0003638200000000, -0.0000594900000000, -0.0002208600000000 ] - [ 0.0004376600000000, 0.0000984200000000, -0.0002736100000000 ] - [ 0.0003293900000000, -0.0000253600000000, 0.0009212400000000 ] - [ 0.0006352600000000, 0.0001457700000000, -0.0004237400000000 ] - [ -0.0008232600000000, -0.0003508700000000, 0.0001972700000000 ] - [ 0.0001465600000000, 0.0003345400000000, -0.0000874400000000 ] - [ 0.0001402100000000, 0.0000016800000000, 0.0001409100000000 ] - [ -0.0001076000000000, 0.0000707700000000, 0.0001133900000000 ] - [ -0.0001013900000000, -0.0001371300000000, -0.0000723000000000 ] - [ 0.0007928100000000, 0.0002308800000000, 0.0001997900000000 ] - [ -0.0006344200000000, -0.0000025900000000, -0.0004595900000000 ] - [ -0.0003397200000000, 0.0000204400000000, 0.0009163500000000 ] - [ -0.0003776900000000, 0.0000462600000000, -0.0002183500000000 ] - [ 0.0005014000000000, -0.0000005100000000, -0.0002306600000000 ] - [ 0.0002993600000000, -0.0002035400000000, 0.0008939300000000 ] - [ 0.0006560600000000, -0.0002925900000000, -0.0004281000000000 ] - [ -0.0009152800000000, 0.0003390800000000, 0.0001915900000000 ] - [ 0.0001219100000000, -0.0002538600000000, -0.0001802300000000 ] - [ 0.0001501400000000, -0.0000477600000000, 0.0001929300000000 ] - [ 0.0016511700000000, 0.0003691700000000, -0.0012653300000000 ] - [ 0.0005066500000000, 0.0008504300000000, -0.0009224000000000 ] - [ 0.0008278200000000, -0.0000997800000000, 0.0004155900000000 ] - [ -0.0032148700000000, 0.0000042600000000, -0.0023395600000000 ] - [ -0.0001223900000000, 0.0009357200000000, 0.0014604900000000 ] - [ 0.0013104500000000, -0.0007717400000000, 0.0012379300000000 ] - [ 0.0004616400000000, -0.0001083900000000, -0.0001550500000000 ] - [ -0.0011952200000000, 0.0032867600000000, 0.0008905600000000 ] - [ 0.0011011500000000, -0.0000464800000000, -0.0011584300000000 ] - [ 0.0218828100000000, 0.0244918600000000, 0.0489596700000000 ] - [ 0.0005945900000000, -0.0002489200000000, 0.0000855600000000 ] - [ 0.0007457900000000, 0.0000439200000000, 0.0009934700000000 ] - [ -0.0001276900000000, -0.0001188900000000, 0.0001678000000000 ] - [ -0.0000790400000000, -0.0004836100000000, -0.0000881900000000 ] - [ 0.0007889800000000, 0.0002706700000000, 0.0001919800000000 ] - [ -0.0006004100000000, -0.0003424800000000, -0.0004297500000000 ] - [ -0.0002995500000000, -0.0002048900000000, 0.0008928300000000 ] - [ -0.0003575600000000, -0.0001253600000000, -0.0002694800000000 ] - [ 0.0003364500000000, -0.0001242400000000, -0.0002607800000000 ] - [ 0.0001585700000000, -0.0000364500000000, 0.0008162700000000 ] - [ 0.0004942300000000, -0.0001839600000000, -0.0004148500000000 ] - [ -0.0008048200000000, 0.0001847000000000, 0.0001936100000000 ] - [ 0.0000652400000000, -0.0003888300000000, -0.0000877700000000 ] - [ 0.0000407400000000, -0.0000291100000000, 0.0001919300000000 ] - [ -0.0000773100000000, -0.0000565500000000, 0.0001146700000000 ] - [ -0.0001713500000000, 0.0001506200000000, -0.0000869700000000 ] - [ 0.0006891200000000, -0.0003223700000000, 0.0001730800000000 ] - [ -0.0005062100000000, 0.0000768800000000, -0.0003869800000000 ] - [ -0.0002531500000000, -0.0000328300000000, 0.0009074100000000 ] - [ -0.0004370500000000, -0.0001043700000000, -0.0002462900000000 ] - [ 0.0000783900000000, 0.0001133200000000, -0.0004669800000000 ] - [ 0.0002667600000000, -0.0001286100000000, 0.0009467200000000 ] - [ 0.0002933700000000, -0.0001219100000000, -0.0002578000000000 ] - [ -0.0008083500000000, -0.0003890300000000, 0.0001995400000000 ] - [ 0.0001581000000000, -0.0006279800000000, -0.0001600800000000 ] - [ 0.0000003500000000, -0.0001905700000000, -0.0000263300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020058600000000, -0.0012225300000000, -0.0005667200000000 ] - [ 0.0000189500000000, 0.0001479900000000, -0.0004656500000000 ] - [ 0.0000756600000000, -0.0002627700000000, -0.0004514200000000 ] - [ -0.0000506900000000, -0.0001581600000000, -0.0004465900000000 ] - [ -0.0007127600000000, 0.0002405600000000, 0.0000425700000000 ] - [ -0.0017758300000000, 0.0002130100000000, 0.0030657000000000 ] - [ -0.0000651000000000, -0.0001904000000000, -0.0004726500000000 ] - [ 0.0000163100000000, -0.0003482700000000, -0.0005151200000000 ] - [ 0.0003094600000000, -0.0000782100000000, 0.0001883800000000 ] - [ -0.0079546100000000, -0.0150590600000000, 0.0072374200000000 ] - [ 0.0012324200000000, -0.0003110900000000, -0.0038914700000000 ] - [ -0.0004399400000000, 0.0064754000000000, 0.0085142800000000 ] - [ -0.0002892300000000, -0.0000200000000000, -0.0000412800000000 ] - [ 0.0003297900000000, -0.0003467500000000, 0.0003129000000000 ] - [ 0.0013642200000000, 0.0025694200000000, -0.0018188000000000 ] - [ -0.0193679600000000, 0.0014269100000000, -0.0059732400000000 ] - [ 0.0000134800000000, -0.0003461200000000, -0.0006763100000000 ] - [ 0.0001255800000000, 0.0003155200000000, 0.0008943200000000 ] - [ -0.0001753700000000, 0.0002396700000000, -0.0001445100000000 ] - [ 0.0002452300000000, 0.0013712600000000, -0.0034424900000000 ] - [ 0.0003517700000000, 0.0001643300000000, 0.0000441500000000 ] - [ 0.0002062400000000, -0.0001504700000000, -0.0002340400000000 ] - [ 0.0001598600000000, -0.0000390700000000, 0.0000557600000000 ] - [ -0.0000432500000000, 0.0003553700000000, -0.0005070600000000 ] - [ -0.0003533600000000, 0.0000477900000000, -0.0000499800000000 ] - [ 0.0002754400000000, 0.0002067000000000, 0.0002921900000000 ] - [ -0.0002856200000000, 0.0003007700000000, 0.0002496700000000 ] - [ 0.0002291000000000, 0.0001449100000000, -0.0001779900000000 ] - [ 0.0000293900000000, 0.0002768500000000, -0.0005823500000000 ] - [ -0.0000175700000000, -0.0001432300000000, 0.0003647500000000 ] - [ -0.0002184900000000, -0.0003143500000000, -0.0001865600000000 ] - [ -0.0003284400000000, 0.0001734300000000, 0.0000580300000000 ] - [ 0.0003087500000000, -0.0002043500000000, 0.0001056100000000 ] - [ 0.0001567700000000, 0.0002267200000000, -0.0001283600000000 ] - [ 0.0000437200000000, 0.0000322200000000, 0.0002749300000000 ] - [ -0.0000244600000000, -0.0003391600000000, -0.0006871800000000 ] - [ -0.0001553300000000, -0.0000954100000000, -0.0000164300000000 ] - [ 0.0002833400000000, -0.0004617600000000, 0.0002316300000000 ] - [ -0.0003293100000000, -0.0003383200000000, 0.0003050800000000 ] - [ 0.0002509900000000, -0.0000822500000000, -0.0000439300000000 ] - [ 0.0003028400000000, -0.0005944000000000, -0.0007710200000000 ] - [ -0.0000225500000000, 0.0000474600000000, 0.0002935600000000 ] - [ -0.0001494900000000, 0.0001786400000000, 0.0000842000000000 ] - [ -0.0003180000000000, -0.0001901800000000, 0.0001008800000000 ] - [ 0.0003918400000000, 0.0000791900000000, 0.0000009400000000 ] - [ 0.0002061600000000, -0.0004012600000000, -0.0002466200000000 ] - [ -0.0000034000000000, -0.0001729900000000, 0.0003992800000000 ] - [ -0.0000227800000000, 0.0001775700000000, -0.0004844500000000 ] - [ -0.0001604500000000, 0.0000235700000000, -0.0000373200000000 ] - [ 0.0002958100000000, 0.0001859700000000, 0.0002571900000000 ] - [ -0.0002871400000000, 0.0001738000000000, 0.0002498400000000 ] - [ 0.0002279800000000, 0.0000083300000000, -0.0000456900000000 ] - [ 0.0000269900000000, 0.0001977400000000, -0.0005249800000000 ] - [ 0.0000110500000000, -0.0001189200000000, 0.0003548300000000 ] - [ -0.0001920500000000, -0.0003620100000000, -0.0002211400000000 ] - [ -0.0003471000000000, 0.0001102700000000, 0.0000382200000000 ] - [ 0.0003180500000000, -0.0001554400000000, 0.0000815800000000 ] - [ 0.0001920800000000, 0.0003896500000000, -0.0002312100000000 ] - [ 0.0000174100000000, 0.0001640900000000, 0.0003893000000000 ] - [ -0.0000240600000000, -0.0001778800000000, -0.0005029700000000 ] - [ -0.0002336300000000, -0.0000453500000000, -0.0000392100000000 ] - [ 0.0003186000000000, -0.0002903800000000, 0.0002906200000000 ] - [ -0.0002504900000000, -0.0001546300000000, 0.0002278000000000 ] - [ 0.0002175800000000, -0.0000126400000000, -0.0000484200000000 ] - [ 0.0000278000000000, -0.0002885300000000, -0.0006225500000000 ] - [ 0.0000502800000000, 0.0000988400000000, 0.0003248900000000 ] - [ -0.0001700900000000, 0.0002834400000000, -0.0001670400000000 ] - [ -0.0002827500000000, -0.0001340600000000, 0.0002373900000000 ] - [ 0.0003299000000000, 0.0001201000000000, 0.0001478700000000 ] - [ 0.0005641400000000, 0.0000843100000000, -0.0000964400000000 ] - [ 0.0012157200000000, -0.0004362400000000, -0.0000141200000000 ] - [ -0.0002245900000000, 0.0001622600000000, -0.0001682200000000 ] - [ -0.0000009200000000, 0.0001926200000000, 0.0001303300000000 ] - [ 0.0009197900000000, -0.0004655800000000, 0.0004049700000000 ] - [ -0.0003234800000000, 0.0003811900000000, -0.0001222600000000 ] - [ 0.0027473300000000, -0.0002189700000000, -0.0031786800000000 ] - [ 0.0004582000000000, 0.0002996300000000, -0.0026543100000000 ] - [ 0.0000662500000000, -0.0002176800000000, 0.0005333900000000 ] - [ 0.0004338400000000, 0.0004852600000000, 0.0009010400000000 ] - [ 0.0170058000000000, 0.0211609500000000, 0.0255269900000000 ] - [ 0.0003400400000000, -0.0001518600000000, 0.0000659900000000 ] - [ 0.0001766900000000, 0.0002669700000000, -0.0001629100000000 ] - [ 0.0000273300000000, 0.0000705800000000, 0.0003049600000000 ] - [ -0.0000224200000000, -0.0002998500000000, -0.0006275900000000 ] - [ -0.0002709100000000, -0.0000453200000000, -0.0000505200000000 ] - [ 0.0002857700000000, -0.0001955800000000, 0.0002646800000000 ] - [ -0.0003213000000000, -0.0003019000000000, 0.0002939100000000 ] - [ 0.0002394400000000, -0.0000607000000000, -0.0000441600000000 ] - [ 0.0000294600000000, -0.0002137000000000, -0.0005876000000000 ] - [ -0.0000379500000000, 0.0000764400000000, 0.0003130900000000 ] - [ -0.0002630100000000, 0.0002787900000000, -0.0001911700000000 ] - [ -0.0003234200000000, -0.0001806800000000, 0.0000906000000000 ] - [ 0.0002968000000000, 0.0001370300000000, 0.0000889400000000 ] - [ 0.0002124400000000, -0.0003881100000000, -0.0002398300000000 ] - [ -0.0000229600000000, -0.0001783700000000, 0.0004123700000000 ] - [ -0.0000067300000000, 0.0001698000000000, -0.0005099800000000 ] - [ -0.0003684800000000, 0.0000088500000000, -0.0000705300000000 ] - [ 0.0002354400000000, 0.0001213900000000, 0.0002173100000000 ] - [ -0.0002554500000000, 0.0001413100000000, 0.0002409400000000 ] - [ 0.0002385000000000, 0.0000077200000000, -0.0000441300000000 ] - [ 0.0000094900000000, 0.0001365800000000, -0.0004349500000000 ] - [ -0.0001700400000000, -0.0003269500000000, 0.0001773700000000 ] - [ -0.0002422700000000, -0.0004401400000000, -0.0002768800000000 ] - [ -0.0003520300000000, 0.0000931000000000, 0.0000289900000000 ] - [ 0.0009039900000000, -0.0037518300000000, -0.0002007900000000 ] - [ 0.0047179100000000, -0.0011061100000000, 0.0045052300000000 ] - [ -0.0006026600000000, 0.0002537000000000, -0.0000240500000000 ] - [ 0.0003577800000000, 0.0011530900000000, -0.0000186700000000 ] - [ -0.0003038200000000, -0.0016298700000000, -0.0002214600000000 ] - [ 0.0004347300000000, -0.0010475200000000, -0.0001720400000000 ] - [ -0.0000318100000000, 0.0004361300000000, -0.0000895600000000 ] - [ 0.0004043400000000, 0.0003603800000000, -0.0001097200000000 ] - [ -0.0005370100000000, -0.0006597400000000, -0.0001194400000000 ] - [ -0.0001793300000000, 0.0010456200000000, -0.0021869100000000 ] - [ -0.0001159600000000, 0.0006315600000000, -0.0002797300000000 ] - [ 0.0485633000000000, 0.0289793600000000, -0.1758372400000000 ] - [ -0.0003835300000000, -0.0007265300000000, -0.0001487700000000 ] - [ 0.0004551400000000, -0.0009435700000000, -0.0001568000000000 ] - [ -0.0006453200000000, 0.0007542100000000, -0.0001019400000000 ] - [ 0.0004121200000000, 0.0001936800000000, -0.0000928100000000 ] - [ -0.0399321900000000, -0.0311270200000000, 0.2325160500000000 ] - [ -0.0005780600000000, 0.0099848200000000, -0.0058950200000000 ] - [ 0.0008713800000000, 0.0003326400000000, 0.0003317700000000 ] - [ -0.0083382400000000, -0.0056679700000000, -0.0202591900000000 ] - [ 0.0102476300000000, 0.0146933900000000, -0.0166830300000000 ] - [ -0.0007433200000000, -0.0005447500000000, 0.0018321000000000 ] - [ -0.0006533700000000, -0.0014243100000000, 0.0009576300000000 ] - [ 0.0003220600000000, 0.0001093900000000, 0.0009425700000000 ] - [ 0.0006647700000000, -0.0000587000000000, -0.0004446900000000 ] - [ 0.0166770900000000, -0.0013799000000000, 0.0022651700000000 ] - [ 0.0004757300000000, 0.0000595600000000, -0.0005354400000000 ] - [ 0.0001001400000000, 0.0000750500000000, 0.0000043200000000 ] - [ -0.0001824300000000, -0.0007562500000000, 0.0015579500000000 ] - [ -0.0010314400000000, 0.0001146300000000, -0.0011266100000000 ] - [ 0.0009171100000000, -0.0001559300000000, 0.0002569500000000 ] - [ -0.0015165600000000, 0.0000190700000000, -0.0007897700000000 ] - [ -0.0003521200000000, -0.0000884600000000, 0.0008872200000000 ] - [ -0.0002090000000000, 0.0001373100000000, 0.0000617500000000 ] - [ 0.0003871900000000, 0.0001327200000000, -0.0002553700000000 ] - [ 0.0005007100000000, -0.0000651600000000, 0.0008341300000000 ] - [ 0.0007095000000000, 0.0002497200000000, -0.0004268100000000 ] - [ -0.0008093600000000, -0.0003854000000000, 0.0002432700000000 ] - [ 0.0001361900000000, 0.0003937500000000, -0.0000900000000000 ] - [ 0.0001831700000000, 0.0000350900000000, 0.0001540700000000 ] - [ -0.0000769800000000, 0.0000959300000000, 0.0001029400000000 ] - [ -0.0001847400000000, -0.0000671200000000, -0.0000932100000000 ] - [ 0.0007481300000000, 0.0004380900000000, 0.0001876000000000 ] - [ -0.0005132700000000, -0.0000396200000000, -0.0003672200000000 ] - [ -0.0003250400000000, 0.0001605300000000, 0.0009455900000000 ] - [ -0.0003955200000000, 0.0001163100000000, -0.0002307600000000 ] - [ 0.0003659500000000, 0.0001071300000000, -0.0002394000000000 ] - [ -0.0004215000000000, 0.0002677700000000, 0.0004658400000000 ] - [ 0.0003437100000000, -0.0000484700000000, -0.0001827300000000 ] - [ -0.0008243200000000, 0.0003847600000000, 0.0001962400000000 ] - [ 0.0000845800000000, -0.0001034800000000, -0.0001152600000000 ] - [ -0.0000964700000000, 0.0001405600000000, 0.0000060800000000 ] - [ -0.0001286700000000, 0.0001524000000000, 0.0001791400000000 ] - [ -0.0000664300000000, 0.0005424900000000, -0.0000822800000000 ] - [ 0.0007114500000000, -0.0001685500000000, 0.0001953500000000 ] - [ -0.0006028400000000, 0.0003791500000000, -0.0004460400000000 ] - [ -0.0002539600000000, 0.0002962900000000, 0.0008686400000000 ] - [ -0.0003731000000000, 0.0001460600000000, -0.0002840900000000 ] - [ 0.0003004100000000, -0.0000112600000000, -0.0002387200000000 ] - [ 0.0002712200000000, 0.0002195600000000, 0.0008954200000000 ] - [ 0.0004980100000000, 0.0003154100000000, -0.0003991600000000 ] - [ -0.0007888900000000, -0.0001853200000000, 0.0001923900000000 ] - [ 0.0000789900000000, 0.0003403200000000, -0.0000937600000000 ] - [ 0.0000740200000000, 0.0000773500000000, 0.0001530900000000 ] - [ -0.0001061800000000, -0.0001482500000000, 0.0001802400000000 ] - [ -0.0001244000000000, -0.0005330300000000, -0.0001083700000000 ] - [ 0.0008187700000000, 0.0003054400000000, 0.0001882500000000 ] - [ -0.0004942900000000, -0.0004561400000000, -0.0003609800000000 ] - [ -0.0002603400000000, -0.0002155600000000, 0.0008998200000000 ] - [ -0.0003605200000000, -0.0001307400000000, -0.0002927000000000 ] - [ 0.0002361500000000, -0.0000849900000000, -0.0002789900000000 ] - [ 0.0003006600000000, 0.0000064100000000, 0.0009223400000000 ] - [ 0.0004738700000000, -0.0001687300000000, -0.0003928000000000 ] - [ -0.0006981300000000, 0.0001990000000000, 0.0001956000000000 ] - [ 0.0001058000000000, -0.0004178100000000, 0.0000001900000000 ] - [ 0.0000634400000000, -0.0000318500000000, 0.0001010800000000 ] - [ -0.0018748200000000, -0.0002850200000000, 0.0015732200000000 ] - [ -0.0007054900000000, -0.0001745400000000, 0.0007405100000000 ] - [ 0.0007830800000000, -0.0004389100000000, -0.0000284000000000 ] - [ 0.0021030500000000, 0.0004712100000000, 0.0014990200000000 ] - [ -0.0004907300000000, -0.0007505200000000, 0.0003516200000000 ] - [ -0.0020557800000000, 0.0008666000000000, -0.0017394300000000 ] - [ 0.0002765100000000, 0.0001927700000000, -0.0003547000000000 ] - [ 0.0018078000000000, -0.0031022500000000, 0.0008943800000000 ] - [ 0.0000231100000000, 0.0004970200000000, 0.0003447400000000 ] - [ -0.0239674700000000, -0.0256515600000000, -0.0491738600000000 ] - [ -0.0003721400000000, 0.0009205400000000, -0.0002669200000000 ] - [ -0.0005371200000000, 0.0000343800000000, -0.0007057500000000 ] - [ -0.0000861900000000, 0.0000401400000000, 0.0001268500000000 ] - [ -0.0001483900000000, -0.0001846200000000, -0.0000929700000000 ] - [ 0.0008208900000000, 0.0002674800000000, 0.0001961200000000 ] - [ -0.0005301900000000, -0.0001185200000000, -0.0003919200000000 ] - [ -0.0003003300000000, 0.0000096000000000, 0.0009241800000000 ] - [ -0.0003791400000000, 0.0000393600000000, -0.0002395600000000 ] - [ 0.0003997000000000, 0.0000390900000000, -0.0002484400000000 ] - [ 0.0004407900000000, -0.0001547700000000, 0.0010020000000000 ] - [ 0.0006276300000000, -0.0002725800000000, -0.0004027500000000 ] - [ -0.0008068700000000, 0.0003509300000000, 0.0001944800000000 ] - [ 0.0001617600000000, -0.0002790300000000, -0.0000931500000000 ] - [ 0.0001701400000000, -0.0000493600000000, 0.0001003300000000 ] - [ -0.0001364300000000, 0.0001343800000000, 0.0001797600000000 ] - [ -0.0000570000000000, 0.0005145000000000, -0.0000937800000000 ] - [ 0.0009213900000000, -0.0002148200000000, 0.0002141800000000 ] - [ -0.0006218900000000, 0.0003817300000000, -0.0004327600000000 ] - [ -0.0003463700000000, 0.0002254000000000, 0.0009097000000000 ] - [ -0.0003014200000000, 0.0001888600000000, -0.0002631500000000 ] - [ 0.0006569100000000, -0.0000245100000000, -0.0000433000000000 ] - [ 0.0003331400000000, 0.0003215700000000, 0.0008702600000000 ] - [ 0.0008364000000000, 0.0005792100000000, -0.0005628400000000 ] - [ -0.0008034000000000, -0.0001483800000000, 0.0001886000000000 ] - [ 0.0000694600000000, 0.0012911200000000, -0.0000229800000000 ] - [ 0.0002131200000000, 0.0002673500000000, 0.0003183700000000 ]- atom: 122 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002778700000000, -0.0013567000000000, -0.0006253100000000 ] - [ -0.0015328700000000, -0.0002724700000000, -0.0003591700000000 ] - [ -0.0000890300000000, 0.0007679300000000, -0.0005369600000000 ] - [ -0.0001493800000000, 0.0002889900000000, -0.0004783200000000 ] - [ -0.0017744100000000, 0.0009171200000000, -0.0002405900000000 ] - [ 0.0080723800000000, 0.0009924400000000, -0.0024296200000000 ] - [ 0.0000682700000000, 0.0000740300000000, -0.0003729900000000 ] - [ 0.0001718400000000, 0.0005823000000000, -0.0004228600000000 ] - [ 0.0005381100000000, 0.0000762200000000, -0.0001409600000000 ] - [ 0.0006292900000000, 0.0009056200000000, -0.0006726700000000 ] - [ 0.0019266900000000, 0.0050447900000000, 0.0095745100000000 ] - [ 0.0001937900000000, -0.0008258600000000, -0.0019892000000000 ] - [ 0.0000715300000000, -0.0000208800000000, -0.0000125600000000 ] - [ 0.0003238600000000, -0.0001506800000000, 0.0002585900000000 ] - [ -0.0001337200000000, -0.0004047300000000, 0.0005719600000000 ] - [ 0.0029402800000000, -0.0014603100000000, 0.0004060400000000 ] - [ 0.0000472800000000, -0.0001644300000000, -0.0004976600000000 ] - [ 0.0000300000000000, 0.0000238100000000, 0.0003662500000000 ] - [ -0.0001660500000000, 0.0003737300000000, -0.0002273400000000 ] - [ -0.0010145100000000, -0.0011017000000000, 0.0009731700000000 ] - [ 0.0003878000000000, 0.0001122300000000, 0.0000116900000000 ] - [ -0.0004518800000000, -0.0000576700000000, 0.0000633200000000 ] - [ -0.0002648600000000, -0.0006096600000000, 0.0008986400000000 ] - [ -0.0003519300000000, 0.0002866100000000, -0.0006864200000000 ] - [ -0.0003476000000000, 0.0000157900000000, -0.0000619000000000 ] - [ 0.0001103300000000, -0.0000393300000000, 0.0001640700000000 ] - [ -0.0007528600000000, 0.0004950000000000, 0.0003868900000000 ] - [ -0.0014693100000000, -0.0001729500000000, 0.0003272900000000 ] - [ -0.0000691100000000, 0.0001063100000000, -0.0004729000000000 ] - [ -0.0000603000000000, -0.0000578600000000, 0.0002824900000000 ] - [ -0.0003248900000000, -0.0004083000000000, -0.0002720700000000 ] - [ -0.0007209400000000, -0.0001502700000000, -0.0003679400000000 ] - [ 0.0006058900000000, 0.0000976300000000, -0.0002424500000000 ] - [ 0.0002703400000000, 0.0004840600000000, -0.0003054400000000 ] - [ -0.0000027700000000, 0.0002278200000000, 0.0004366900000000 ] - [ 0.0000089000000000, -0.0000709100000000, -0.0004051900000000 ] - [ 0.0000134500000000, 0.0004258900000000, -0.0000043400000000 ] - [ -0.0005580200000000, 0.0015630000000000, -0.0005316500000000 ] - [ -0.0001864500000000, -0.0000083600000000, 0.0001846400000000 ] - [ 0.0002878300000000, 0.0000260800000000, -0.0000529800000000 ] - [ -0.0003798500000000, 0.0012590800000000, 0.0000277600000000 ] - [ 0.0001192700000000, 0.0003790700000000, 0.0006109500000000 ] - [ -0.0004879300000000, 0.0009779300000000, -0.0009127500000000 ] - [ -0.0003600400000000, -0.0000675700000000, 0.0000088400000000 ] - [ 0.0001176600000000, 0.0004473500000000, 0.0003612300000000 ] - [ 0.0001690100000000, -0.0002156800000000, -0.0001355700000000 ] - [ 0.0000370100000000, 0.0000168300000000, 0.0002444900000000 ] - [ -0.0000228500000000, 0.0003443700000000, -0.0006694000000000 ] - [ -0.0006974300000000, 0.0001140700000000, -0.0000972100000000 ] - [ 0.0002611700000000, 0.0003586200000000, 0.0002891500000000 ] - [ -0.0003401100000000, 0.0003487300000000, 0.0003117700000000 ] - [ 0.0002058300000000, 0.0000858100000000, -0.0000422000000000 ] - [ -0.0000278000000000, 0.0003588700000000, -0.0006749700000000 ] - [ -0.0002868800000000, 0.0000004500000000, 0.0001343300000000 ] - [ -0.0002432300000000, -0.0002491200000000, -0.0001557100000000 ] - [ -0.0003412900000000, 0.0001954600000000, 0.0000849300000000 ] - [ 0.0002615500000000, -0.0001582000000000, 0.0001205800000000 ] - [ -0.0000531100000000, 0.0001669600000000, -0.0000850100000000 ] - [ -0.0002602300000000, 0.0000848700000000, 0.0003989600000000 ] - [ -0.0001711700000000, -0.0002855500000000, -0.0006362800000000 ] - [ -0.0004774800000000, 0.0000048000000000, -0.0000766700000000 ] - [ 0.0001969700000000, -0.0000615800000000, 0.0001974600000000 ] - [ -0.0005525300000000, -0.0003554200000000, 0.0003539300000000 ] - [ -0.0008028000000000, 0.0000023400000000, 0.0000860000000000 ] - [ -0.0000095900000000, -0.0000904000000000, -0.0004028000000000 ] - [ -0.0001247000000000, 0.0002081700000000, 0.0003644300000000 ] - [ -0.0002765600000000, 0.0005029000000000, -0.0003124500000000 ] - [ -0.0007376300000000, 0.0000180500000000, -0.0002611100000000 ] - [ 0.0001918700000000, 0.0003038300000000, 0.0003066200000000 ] - [ 0.0001632700000000, -0.0005760900000000, -0.0003069500000000 ] - [ -0.0000529300000000, -0.0000709100000000, 0.0002047200000000 ] - [ -0.0011041500000000, -0.0007219400000000, 0.0000353600000000 ] - [ -0.0002374400000000, 0.0003511700000000, 0.0000786400000000 ] - [ 0.0005667600000000, 0.0005816300000000, 0.0003888700000000 ] - [ -0.0001070600000000, -0.0010341500000000, -0.0004312000000000 ] - [ -0.0001724000000000, 0.0000777200000000, -0.0001971500000000 ] - [ 0.0005186900000000, 0.0004639700000000, -0.0028113300000000 ] - [ -0.0000629100000000, 0.0000624100000000, 0.0001995300000000 ] - [ 0.0009877200000000, -0.0000377200000000, 0.0011160100000000 ] - [ 0.0013656600000000, 0.0008853100000000, 0.0000584300000000 ] - [ 0.0001940700000000, -0.0001839500000000, 0.0001981000000000 ] - [ 0.0001780600000000, 0.0004072800000000, -0.0002408800000000 ] - [ -0.0000533300000000, 0.0002121800000000, 0.0004549500000000 ] - [ -0.0000479600000000, -0.0001760900000000, -0.0004874700000000 ] - [ -0.0005267200000000, -0.0001500900000000, -0.0000595200000000 ] - [ 0.0001635200000000, -0.0004156800000000, 0.0003031400000000 ] - [ -0.0003195800000000, -0.0001942800000000, 0.0002604200000000 ] - [ 0.0001727200000000, 0.0000006200000000, -0.0000376000000000 ] - [ -0.0000244200000000, -0.0005590800000000, -0.0009376500000000 ] - [ -0.0000529400000000, 0.0000718100000000, 0.0002715300000000 ] - [ -0.0002017600000000, -0.0000659200000000, -0.0000241000000000 ] - [ -0.0003577600000000, -0.0000783300000000, 0.0000160600000000 ] - [ 0.0004222400000000, 0.0000142900000000, -0.0000667400000000 ] - [ 0.0001393400000000, -0.0001802700000000, -0.0001003000000000 ] - [ 0.0000714900000000, -0.0000318000000000, 0.0002477300000000 ] - [ -0.0000292300000000, 0.0003971700000000, -0.0007342800000000 ] - [ 0.0002084800000000, -0.0000160800000000, 0.0000367500000000 ] - [ 0.0004314300000000, 0.0004061100000000, 0.0003567300000000 ] - [ -0.0003586100000000, 0.0004159700000000, 0.0003320600000000 ] - [ 0.0002890900000000, 0.0001009800000000, -0.0000476000000000 ] - [ 0.0000796100000000, 0.0003882100000000, -0.0007460100000000 ] - [ 0.0007478600000000, -0.0005154000000000, 0.0006405600000000 ] - [ -0.0000635800000000, -0.0001470900000000, -0.0000795300000000 ] - [ -0.0002796800000000, 0.0002344600000000, 0.0001493500000000 ] - [ 0.0009622400000000, 0.0001147600000000, 0.0000069500000000 ] - [ -0.0046261600000000, -0.0069977400000000, -0.0040944300000000 ] - [ -0.0002574900000000, 0.0004293400000000, -0.0001268800000000 ] - [ -0.0021673200000000, -0.0008989600000000, -0.0003204700000000 ] - [ 0.0006263500000000, 0.0008151100000000, -0.0000586700000000 ] - [ 0.0004556400000000, 0.0000375000000000, -0.0000727800000000 ] - [ -0.0020482900000000, 0.0025156300000000, -0.0001724900000000 ] - [ 0.0002508300000000, 0.0011664100000000, -0.0001903800000000 ] - [ -0.0010921400000000, -0.0005369700000000, -0.0000745000000000 ] - [ -0.0019261400000000, 0.0000739800000000, -0.0014972500000000 ] - [ -0.0008780200000000, 0.0018979800000000, -0.0002895000000000 ] - [ 0.0762029300000000, -0.0934067300000000, -0.0023248400000000 ] - [ -0.0013189700000000, -0.0006939300000000, -0.0000745100000000 ] - [ 0.0003316200000000, -0.0001040200000000, -0.0000927100000000 ] - [ -0.0002493500000000, -0.0010103300000000, 0.0000170800000000 ] - [ 0.0006517100000000, 0.0013520000000000, -0.0001821300000000 ] - [ -0.0085398600000000, 0.0042645300000000, 0.0006236100000000 ] - [ -0.0723843900000000, 0.0886846900000000, 0.0101419800000000 ] - [ 0.0004522600000000, -0.0000173500000000, 0.0001858800000000 ] - [ -0.0124688900000000, 0.0139311400000000, 0.0006116700000000 ] - [ -0.0009953900000000, 0.0002985700000000, 0.0021640600000000 ] - [ 0.0017394100000000, -0.0074739500000000, -0.0136888800000000 ] - [ 0.0000267700000000, 0.0003040600000000, -0.0003322900000000 ] - [ 0.0001906800000000, -0.0003388300000000, 0.0008819200000000 ] - [ 0.0002261500000000, -0.0003193500000000, -0.0003171400000000 ] - [ -0.0021633900000000, 0.0019833900000000, 0.0004372000000000 ] - [ 0.0000085500000000, -0.0000300300000000, -0.0001324700000000 ] - [ -0.0000722700000000, -0.0000305000000000, 0.0001149000000000 ] - [ 0.0027512900000000, 0.0012236300000000, 0.0007513000000000 ] - [ 0.0006162600000000, 0.0026292500000000, -0.0002975000000000 ] - [ 0.0008432400000000, -0.0000896200000000, 0.0001994000000000 ] - [ 0.0012402200000000, 0.0006306900000000, 0.0000570300000000 ] - [ 0.0005448500000000, -0.0001509100000000, 0.0009054400000000 ] - [ 0.0000002900000000, 0.0006654900000000, -0.0005682300000000 ] - [ 0.0004366200000000, -0.0000800400000000, -0.0002392700000000 ] - [ 0.0006328700000000, 0.0003188200000000, 0.0009302300000000 ] - [ 0.0008751100000000, 0.0004590500000000, -0.0004418200000000 ] - [ 0.0007297000000000, 0.0001260200000000, -0.0000476900000000 ] - [ 0.0002635200000000, 0.0002530700000000, -0.0000764000000000 ] - [ 0.0003220100000000, 0.0000794800000000, 0.0001670000000000 ] - [ -0.0002318400000000, -0.0002591000000000, 0.0002157300000000 ] - [ -0.0000676700000000, -0.0007506200000000, -0.0000723800000000 ] - [ 0.0001497400000000, -0.0003699900000000, -0.0000017600000000 ] - [ -0.0007754500000000, -0.0005826100000000, -0.0004835400000000 ] - [ -0.0003964900000000, -0.0004460500000000, 0.0008860300000000 ] - [ -0.0004261100000000, -0.0002445400000000, -0.0003167100000000 ] - [ 0.0002200500000000, -0.0004549400000000, -0.0003786300000000 ] - [ 0.0032334100000000, -0.0028496500000000, 0.0031586900000000 ] - [ 0.0014669600000000, -0.0020896900000000, -0.0006082900000000 ] - [ -0.0008313100000000, 0.0000473200000000, 0.0001893400000000 ] - [ 0.0000093700000000, -0.0014704600000000, -0.0000258100000000 ] - [ 0.0006413200000000, -0.0010255700000000, 0.0005061000000000 ] - [ -0.0000582400000000, -0.0001392100000000, 0.0000873300000000 ] - [ -0.0002039700000000, -0.0000898100000000, -0.0001036100000000 ] - [ 0.0012748900000000, -0.0007306300000000, 0.0002202900000000 ] - [ -0.0004564800000000, -0.0000005800000000, -0.0003541000000000 ] - [ -0.0002967100000000, -0.0000722200000000, 0.0009325000000000 ] - [ -0.0003040100000000, -0.0001971300000000, -0.0001791700000000 ] - [ 0.0011346000000000, -0.0001632900000000, -0.0002722700000000 ] - [ 0.0004605400000000, -0.0001992000000000, 0.0009446400000000 ] - [ 0.0011546300000000, 0.0000303800000000, -0.0005437100000000 ] - [ -0.0007586900000000, -0.0004021900000000, 0.0001965900000000 ] - [ 0.0005771100000000, 0.0002541200000000, -0.0000074400000000 ] - [ 0.0004667500000000, -0.0000259600000000, 0.0001113600000000 ] - [ 0.0008973300000000, 0.0002304100000000, 0.0001561100000000 ] - [ 0.0006241800000000, 0.0000948200000000, -0.0000964000000000 ] - [ 0.0010354200000000, 0.0002009500000000, 0.0002079000000000 ] - [ 0.0013573700000000, -0.0001321200000000, 0.0001381100000000 ] - [ 0.0002171400000000, -0.0001565300000000, 0.0009091000000000 ] - [ 0.0002298100000000, 0.0002345000000000, -0.0002617400000000 ] - [ 0.0008278200000000, -0.0001354000000000, -0.0003939400000000 ] - [ 0.0003762500000000, -0.0004078000000000, 0.0008705900000000 ] - [ 0.0010046200000000, -0.0005843900000000, -0.0005691900000000 ] - [ 0.0003312400000000, 0.0000493700000000, 0.0001233300000000 ] - [ 0.0002585200000000, -0.0009600400000000, 0.0000293800000000 ] - [ 0.0003795200000000, -0.0003464600000000, 0.0001919200000000 ] - [ 0.0002224800000000, 0.0003620000000000, 0.0010606500000000 ] - [ 0.0006185700000000, 0.0000547800000000, 0.0001662200000000 ] - [ 0.0010687800000000, -0.0008297000000000, 0.0000793900000000 ] - [ 0.0051304200000000, -0.0012495100000000, 0.0015425200000000 ] - [ 0.0005058600000000, 0.0020045100000000, -0.0001560600000000 ] - [ -0.0002766900000000, -0.0004982300000000, -0.0005854800000000 ] - [ 0.0003963200000000, -0.0002672300000000, -0.0001826200000000 ] - [ -0.0004158800000000, -0.0044637900000000, 0.0022952600000000 ] - [ -0.0001227400000000, -0.0008737500000000, 0.0004354500000000 ] - [ -0.0020946600000000, -0.0022316900000000, -0.0047573000000000 ] - [ 0.0000615600000000, -0.0003591000000000, -0.0001875000000000 ] - [ -0.0005477200000000, -0.0006181700000000, -0.0003390400000000 ] - [ -0.0000642300000000, -0.0001751400000000, 0.0001801300000000 ] - [ 0.0000222900000000, -0.0006144700000000, -0.0001006600000000 ] - [ 0.0012039100000000, 0.0004090400000000, 0.0001983100000000 ] - [ -0.0005062700000000, -0.0003850300000000, -0.0004285900000000 ] - [ -0.0001826900000000, -0.0002835300000000, 0.0008673900000000 ] - [ -0.0002440700000000, -0.0002582800000000, -0.0002716700000000 ] - [ 0.0004369000000000, -0.0000633800000000, -0.0001994700000000 ] - [ 0.0008981900000000, 0.0008210400000000, 0.0010843600000000 ] - [ 0.0007301600000000, 0.0003090500000000, -0.0003420400000000 ] - [ -0.0007499300000000, 0.0001485600000000, 0.0001839900000000 ] - [ 0.0002588900000000, 0.0000664600000000, -0.0001033900000000 ] - [ 0.0001354400000000, 0.0003859600000000, 0.0001363500000000 ] - [ -0.0000679200000000, -0.0001377000000000, 0.0000965600000000 ] - [ -0.0002035300000000, 0.0000819800000000, -0.0000841800000000 ] - [ 0.0004795900000000, -0.0001064300000000, 0.0001098100000000 ] - [ -0.0005090100000000, -0.0000573400000000, -0.0003700900000000 ] - [ -0.0003109300000000, -0.0002709900000000, 0.0009490300000000 ] - [ -0.0005126600000000, -0.0001366200000000, -0.0002527900000000 ] - [ -0.0010637600000000, 0.0012148300000000, 0.0002951800000000 ] - [ 0.0001584800000000, -0.0001735300000000, 0.0009496100000000 ] - [ -0.0002083100000000, -0.0001578600000000, -0.0001563300000000 ] - [ -0.0008796000000000, -0.0004807800000000, 0.0001999600000000 ] - [ -0.0007997200000000, -0.0000233400000000, -0.0002788500000000 ] - [ -0.0003916900000000, -0.0002394500000000, 0.0001004100000000 ]- atom: 122 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002645600000000, 0.0013482100000000, -0.0002872900000000 ] - [ 0.0015327800000000, 0.0002785000000000, -0.0005512900000000 ] - [ 0.0000897900000000, -0.0007669800000000, -0.0003734700000000 ] - [ 0.0001501600000000, -0.0002900700000000, -0.0004326200000000 ] - [ 0.0017724600000000, -0.0009250800000000, -0.0006721200000000 ] - [ -0.0080322600000000, -0.0010099400000000, 0.0015060500000000 ] - [ -0.0000700800000000, -0.0000733000000000, -0.0005379200000000 ] - [ -0.0001729500000000, -0.0005808800000000, -0.0004872600000000 ] - [ 0.0001309500000000, -0.0003637100000000, 0.0002705100000000 ] - [ -0.0002411200000000, -0.0002521000000000, 0.0002729600000000 ] - [ -0.0018709800000000, -0.0048497300000000, -0.0088583900000000 ] - [ -0.0002410600000000, 0.0003384300000000, 0.0008587600000000 ] - [ -0.0005478200000000, -0.0000581000000000, -0.0000770100000000 ] - [ 0.0002775500000000, -0.0003316900000000, 0.0002861100000000 ] - [ -0.0004593700000000, -0.0000687800000000, -0.0000389100000000 ] - [ -0.0024362600000000, 0.0013744400000000, -0.0004970100000000 ] - [ -0.0000032700000000, -0.0003297400000000, -0.0006495900000000 ] - [ -0.0000523600000000, 0.0002077700000000, 0.0003301900000000 ] - [ -0.0002130400000000, 0.0002692100000000, -0.0001630700000000 ] - [ 0.0003421400000000, 0.0008068300000000, -0.0008310000000000 ] - [ 0.0002824100000000, 0.0001756300000000, 0.0001174300000000 ] - [ 0.0008294200000000, -0.0005793000000000, -0.0004489700000000 ] - [ 0.0002902300000000, 0.0003775900000000, -0.0002016700000000 ] - [ 0.0003085500000000, 0.0002126700000000, -0.0004667500000000 ] - [ -0.0001275700000000, 0.0000630100000000, -0.0000276800000000 ] - [ 0.0004913900000000, 0.0005207200000000, 0.0003804500000000 ] - [ 0.0001496700000000, -0.0000067600000000, 0.0001601300000000 ] - [ 0.0019357700000000, 0.0002513200000000, -0.0004137100000000 ] - [ 0.0001130700000000, 0.0003865900000000, -0.0006733000000000 ] - [ 0.0000350100000000, -0.0001712800000000, 0.0004112100000000 ] - [ -0.0000541500000000, -0.0002357700000000, -0.0001188300000000 ] - [ 0.0000515100000000, 0.0004374900000000, 0.0004973700000000 ] - [ 0.0000625800000000, -0.0003869200000000, 0.0003739300000000 ] - [ 0.0001083800000000, 0.0001581900000000, -0.0000842200000000 ] - [ 0.0000284900000000, 0.0000010100000000, 0.0002564400000000 ] - [ -0.0000529000000000, -0.0004240200000000, -0.0007432500000000 ] - [ -0.0004866700000000, -0.0005049100000000, -0.0000851000000000 ] - [ 0.0011580900000000, -0.0020524800000000, 0.0010893000000000 ] - [ -0.0004152800000000, -0.0004749200000000, 0.0003604500000000 ] - [ 0.0001891600000000, -0.0001056900000000, -0.0000368200000000 ] - [ 0.0004257900000000, -0.0017560700000000, -0.0011750500000000 ] - [ -0.0001443600000000, -0.0001500700000000, 0.0000830900000000 ] - [ 0.0001141400000000, -0.0003413900000000, 0.0005268000000000 ] - [ -0.0003092100000000, -0.0002203400000000, 0.0001213200000000 ] - [ 0.0005522900000000, -0.0001592600000000, -0.0002318400000000 ] - [ 0.0002103600000000, -0.0004270300000000, -0.0002547900000000 ] - [ -0.0000110100000000, -0.0002452800000000, 0.0004484800000000 ] - [ -0.0000208400000000, 0.0001501100000000, -0.0004781400000000 ] - [ 0.0002213100000000, -0.0000340000000000, 0.0000074100000000 ] - [ 0.0003408100000000, 0.0001248100000000, 0.0002559600000000 ] - [ -0.0002610500000000, 0.0001337800000000, 0.0002328200000000 ] - [ 0.0002715900000000, -0.0000059700000000, -0.0000476800000000 ] - [ 0.0000719500000000, 0.0001365800000000, -0.0004738000000000 ] - [ 0.0002612000000000, -0.0002281400000000, 0.0005583900000000 ] - [ -0.0001350900000000, -0.0003923100000000, -0.0002335900000000 ] - [ -0.0003279200000000, 0.0000927000000000, 0.0000451600000000 ] - [ 0.0004076900000000, -0.0001304700000000, 0.0000098700000000 ] - [ 0.0004315800000000, 0.0004734900000000, -0.0003036900000000 ] - [ 0.0002845900000000, 0.0001454600000000, 0.0002964900000000 ] - [ 0.0001271900000000, -0.0002114800000000, -0.0005139100000000 ] - [ 0.0000001500000000, -0.0000848700000000, -0.0000131400000000 ] - [ 0.0004046200000000, -0.0004215500000000, 0.0003474400000000 ] - [ -0.0000502600000000, -0.0001304700000000, 0.0001920900000000 ] - [ 0.0012790600000000, -0.0000822600000000, -0.0001757800000000 ] - [ 0.0000534100000000, -0.0004043900000000, -0.0007450500000000 ] - [ 0.0000983300000000, 0.0000195400000000, 0.0003281400000000 ] - [ -0.0001027400000000, 0.0001395600000000, -0.0000776400000000 ] - [ 0.0000690900000000, -0.0003076800000000, 0.0003932000000000 ] - [ 0.0004768500000000, -0.0000158800000000, -0.0001762200000000 ] - [ 0.0002123600000000, -0.0000635400000000, -0.0000809100000000 ] - [ 0.0000741900000000, -0.0001600600000000, 0.0004930000000000 ] - [ 0.0010597000000000, 0.0012256700000000, -0.0011885200000000 ] - [ -0.0002423600000000, -0.0002715500000000, -0.0001691400000000 ] - [ 0.0000326500000000, -0.0000987700000000, 0.0001555400000000 ] - [ -0.0005070600000000, 0.0015248700000000, 0.0009785400000000 ] - [ 0.0006264100000000, -0.0000018500000000, 0.0001008200000000 ] - [ -0.0004764800000000, 0.0000345600000000, 0.0016607400000000 ] - [ 0.0000363700000000, -0.0002904600000000, 0.0004925200000000 ] - [ -0.0013654400000000, -0.0006045800000000, -0.0015033200000000 ] - [ -0.0020475700000000, -0.0006151400000000, 0.0000604800000000 ] - [ 0.0004752600000000, -0.0001036700000000, -0.0000680800000000 ] - [ 0.0002008900000000, 0.0002353600000000, -0.0001491900000000 ] - [ 0.0000790800000000, 0.0000165300000000, 0.0002383300000000 ] - [ 0.0000039500000000, -0.0003184700000000, -0.0006602800000000 ] - [ 0.0000495900000000, 0.0000709800000000, -0.0000303200000000 ] - [ 0.0004377000000000, -0.0000663100000000, 0.0002416500000000 ] - [ -0.0002821800000000, -0.0002887700000000, 0.0002845300000000 ] - [ 0.0003043300000000, -0.0000801100000000, -0.0000524200000000 ] - [ 0.0000675500000000, 0.0000654600000000, -0.0002088900000000 ] - [ 0.0000272900000000, 0.0001574300000000, 0.0004222800000000 ] - [ -0.0001775900000000, 0.0007102700000000, -0.0003663400000000 ] - [ -0.0003116600000000, -0.0002095100000000, 0.0001136800000000 ] - [ 0.0002458100000000, 0.0002744400000000, 0.0001983000000000 ] - [ 0.0002394600000000, -0.0004621500000000, -0.0002897000000000 ] - [ -0.0000461300000000, -0.0001970500000000, 0.0004458200000000 ] - [ -0.0000149000000000, 0.0000975400000000, -0.0004134600000000 ] - [ -0.0006868600000000, 0.0000952700000000, -0.0001265500000000 ] - [ 0.0001697500000000, 0.0000764500000000, 0.0001879600000000 ] - [ -0.0002432300000000, 0.0000670200000000, 0.0002127900000000 ] - [ 0.0001874100000000, -0.0000213100000000, -0.0000422200000000 ] - [ -0.0000358200000000, 0.0001062000000000, -0.0004015700000000 ] - [ -0.0007737300000000, 0.0002799500000000, 0.0000532600000000 ] - [ -0.0003156700000000, -0.0004958500000000, -0.0003107500000000 ] - [ -0.0003897200000000, 0.0000536300000000, -0.0000194100000000 ] - [ -0.0018100500000000, -0.0013913000000000, -0.0002686400000000 ] - [ 0.0054353600000000, 0.0056762400000000, 0.0037949500000000 ] - [ -0.0005822400000000, 0.0008590100000000, -0.0001360100000000 ] - [ 0.0030090900000000, 0.0021810500000000, 0.0000586300000000 ] - [ -0.0014695800000000, -0.0021082400000000, -0.0002059000000000 ] - [ 0.0003885500000000, -0.0013241400000000, -0.0001903200000000 ] - [ 0.0012118700000000, -0.0012242900000000, -0.0000903200000000 ] - [ 0.0005941600000000, 0.0001227800000000, -0.0000727500000000 ] - [ 0.0002494600000000, -0.0007562300000000, -0.0001889600000000 ] - [ 0.0027486300000000, -0.0013839300000000, 0.0012444100000000 ] - [ 0.0000298500000000, -0.0006120700000000, 0.0000274800000000 ] - [ -0.0752007900000000, 0.0962737100000000, 0.0020536000000000 ] - [ 0.0004756400000000, -0.0005887000000000, -0.0001882600000000 ] - [ 0.0005112400000000, -0.0011837000000000, -0.0001705900000000 ] - [ -0.0006001500000000, 0.0023034100000000, -0.0002804900000000 ] - [ 0.0001919300000000, -0.0000632800000000, -0.0000807300000000 ] - [ 0.0083520800000000, -0.0044175200000000, -0.0003399300000000 ] - [ 0.0719225700000000, -0.0907678300000000, -0.0102763900000000 ] - [ 0.0011514000000000, 0.0005512500000000, 0.0001854400000000 ] - [ 0.0114270000000000, -0.0144225700000000, -0.0013643300000000 ] - [ 0.0003891900000000, -0.0004885600000000, -0.0003474000000000 ] - [ -0.0024957400000000, 0.0073665500000000, 0.0130676700000000 ] - [ 0.0006927900000000, -0.0003920400000000, -0.0001791900000000 ] - [ 0.0004087500000000, 0.0001611300000000, 0.0009389000000000 ] - [ 0.0009022200000000, -0.0001460800000000, -0.0004991800000000 ] - [ 0.0005454200000000, -0.0014348100000000, -0.0000609500000000 ] - [ 0.0002149800000000, -0.0006333700000000, -0.0000475300000000 ] - [ 0.0002851100000000, -0.0000489500000000, 0.0001833300000000 ] - [ -0.0029300600000000, -0.0011400300000000, -0.0004529200000000 ] - [ -0.0008380400000000, -0.0019482400000000, 0.0001170100000000 ] - [ 0.0007581700000000, -0.0004455100000000, 0.0001726900000000 ] - [ -0.0023496300000000, -0.0001718800000000, -0.0008678700000000 ] - [ -0.0011455100000000, 0.0003205800000000, 0.0009162300000000 ] - [ -0.0007328200000000, -0.0005809300000000, 0.0000474000000000 ] - [ 0.0002929100000000, 0.0001599700000000, -0.0002792700000000 ] - [ -0.0000353300000000, -0.0001377600000000, 0.0008903400000000 ] - [ 0.0002549900000000, 0.0000075400000000, -0.0003759200000000 ] - [ -0.0023256200000000, -0.0006621200000000, 0.0004174200000000 ] - [ -0.0000378700000000, 0.0004116900000000, -0.0001019100000000 ] - [ -0.0001085700000000, 0.0000000400000000, 0.0001316400000000 ] - [ 0.0000179900000000, 0.0001813200000000, 0.0000819500000000 ] - [ -0.0001603200000000, 0.0000898500000000, -0.0001059600000000 ] - [ 0.0014502700000000, 0.0009112600000000, 0.0003740000000000 ] - [ -0.0003541700000000, 0.0001191200000000, -0.0003331700000000 ] - [ -0.0002023300000000, 0.0002701500000000, 0.0009358000000000 ] - [ -0.0003045400000000, 0.0001644100000000, -0.0002007500000000 ] - [ 0.0005095800000000, 0.0003750800000000, -0.0001394900000000 ] - [ -0.0026125000000000, 0.0026408200000000, -0.0013165100000000 ] - [ -0.0003426000000000, 0.0016282300000000, -0.0002095800000000 ] - [ -0.0007732600000000, 0.0004883500000000, 0.0001829700000000 ] - [ 0.0002160500000000, 0.0008075800000000, -0.0001526300000000 ] - [ -0.0004301800000000, 0.0009466900000000, -0.0002091200000000 ] - [ -0.0001566000000000, 0.0002178300000000, 0.0002102900000000 ] - [ -0.0000232800000000, 0.0007522900000000, -0.0000748900000000 ] - [ 0.0003277500000000, 0.0001944000000000, 0.0001514100000000 ] - [ -0.0006749000000000, 0.0004651900000000, -0.0004625100000000 ] - [ -0.0003036900000000, 0.0002492300000000, 0.0008889900000000 ] - [ -0.0004266000000000, 0.0002763100000000, -0.0003383900000000 ] - [ -0.0004021100000000, 0.0002385500000000, -0.0002486100000000 ] - [ 0.0001386400000000, 0.0003750800000000, 0.0008761100000000 ] - [ -0.0000249200000000, 0.0004324800000000, -0.0002732900000000 ] - [ -0.0008457500000000, -0.0001329200000000, 0.0001757200000000 ] - [ -0.0003497200000000, 0.0004049900000000, -0.0001710000000000 ] - [ -0.0002533200000000, 0.0001027900000000, 0.0001864400000000 ] - [ -0.0011104900000000, -0.0003064100000000, 0.0001411600000000 ] - [ -0.0008496500000000, -0.0007588000000000, -0.0000827200000000 ] - [ 0.0005690100000000, 0.0003360000000000, 0.0001640700000000 ] - [ -0.0024919700000000, -0.0003270500000000, -0.0009573100000000 ] - [ -0.0008166300000000, -0.0000156700000000, 0.0009128900000000 ] - [ -0.0009598700000000, -0.0003171200000000, -0.0002577800000000 ] - [ -0.0000950300000000, 0.0000587000000000, -0.0001260700000000 ] - [ 0.0002236000000000, 0.0002309600000000, 0.0009509200000000 ] - [ 0.0001265300000000, 0.0001209700000000, -0.0002478700000000 ] - [ -0.0019358400000000, 0.0004892100000000, 0.0002478700000000 ] - [ -0.0000296400000000, 0.0002995600000000, -0.0002075500000000 ] - [ -0.0001645100000000, 0.0002689500000000, 0.0001051100000000 ] - [ -0.0004226900000000, -0.0002849700000000, -0.0007800400000000 ] - [ -0.0008356500000000, 0.0006150600000000, -0.0003448800000000 ] - [ 0.0005370800000000, 0.0002937600000000, 0.0002924900000000 ] - [ -0.0063854100000000, 0.0017406800000000, -0.0024017700000000 ] - [ -0.0011094200000000, -0.0018416500000000, 0.0019870100000000 ] - [ -0.0004493600000000, 0.0005799200000000, 0.0000678900000000 ] - [ 0.0003351500000000, 0.0003458000000000, -0.0003352700000000 ] - [ 0.0010020300000000, 0.0046770200000000, -0.0004818600000000 ] - [ 0.0012554600000000, 0.0013354800000000, -0.0012519600000000 ] - [ 0.0005471200000000, 0.0017260500000000, 0.0051920400000000 ] - [ 0.0001676400000000, 0.0010176500000000, 0.0000095600000000 ] - [ 0.0007641500000000, 0.0006939500000000, 0.0006366100000000 ] - [ -0.0001503800000000, 0.0000971700000000, 0.0001185400000000 ] - [ -0.0002494600000000, -0.0000470800000000, -0.0000774500000000 ] - [ 0.0003998800000000, 0.0001255400000000, 0.0001735100000000 ] - [ -0.0006249100000000, -0.0000797400000000, -0.0003886700000000 ] - [ -0.0004167000000000, 0.0001061200000000, 0.0009539000000000 ] - [ -0.0004862200000000, 0.0001788700000000, -0.0002472400000000 ] - [ 0.0002937300000000, -0.0000165200000000, -0.0003197400000000 ] - [ -0.0003004600000000, -0.0010022200000000, 0.0007348500000000 ] - [ 0.0004005100000000, -0.0007755700000000, -0.0004744500000000 ] - [ -0.0008535100000000, 0.0003871700000000, 0.0001876800000000 ] - [ -0.0000308500000000, -0.0007302200000000, -0.0000746700000000 ] - [ 0.0000808300000000, -0.0004656600000000, 0.0001613000000000 ] - [ -0.0001451900000000, 0.0002158200000000, 0.0002009600000000 ] - [ -0.0000231700000000, 0.0005795800000000, -0.0000942300000000 ] - [ 0.0011260600000000, -0.0004300600000000, 0.0002616900000000 ] - [ -0.0006215300000000, 0.0005218200000000, -0.0004468800000000 ] - [ -0.0002876000000000, 0.0004478600000000, 0.0008718900000000 ] - [ -0.0002173700000000, 0.0002168500000000, -0.0002659000000000 ] - [ 0.0018047700000000, -0.0011353800000000, -0.0008176200000000 ] - [ 0.0004417000000000, 0.0003513600000000, 0.0008709600000000 ] - [ 0.0013421500000000, 0.0006233500000000, -0.0006619300000000 ] - [ -0.0007239800000000, -0.0000547900000000, 0.0001716200000000 ] - [ 0.0010210500000000, 0.0006938700000000, 0.0001029700000000 ] - [ 0.0006074900000000, 0.0003188600000000, 0.0001976900000000 ]- atom: 122 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030305100000000, 0.0003554500000000, 0.0000616900000000 ] - [ 0.0002671700000000, 0.0014188300000000, -0.0005840600000000 ] - [ 0.0005850200000000, -0.0016077500000000, -0.0004404200000000 ] - [ -0.0000673500000000, -0.0011404700000000, -0.0004035400000000 ] - [ 0.0029009000000000, 0.0005283200000000, -0.0002646800000000 ] - [ -0.0019576600000000, 0.0046035600000000, -0.0013165800000000 ] - [ -0.0005036400000000, -0.0013546200000000, -0.0005491900000000 ] - [ -0.0000138800000000, -0.0021181000000000, -0.0005330100000000 ] - [ 0.0001207900000000, -0.0006940800000000, 0.0004640600000000 ] - [ -0.0012915100000000, -0.0020596200000000, 0.0016057200000000 ] - [ 0.0065325900000000, 0.0006693400000000, -0.0145720800000000 ] - [ -0.0000318000000000, -0.0025412400000000, -0.0050789400000000 ] - [ -0.0007044000000000, -0.0003749900000000, -0.0001258100000000 ] - [ 0.0004296700000000, -0.0008164800000000, 0.0004456000000000 ] - [ -0.0022753700000000, -0.0024660100000000, 0.0022669700000000 ] - [ -0.0047118500000000, 0.0015343900000000, 0.0012821700000000 ] - [ -0.0000104100000000, -0.0007585100000000, -0.0010925800000000 ] - [ -0.0008604200000000, -0.0007039600000000, -0.0005773800000000 ] - [ -0.0001205600000000, -0.0001553300000000, 0.0001086200000000 ] - [ -0.0008730000000000, 0.0013894500000000, -0.0009338100000000 ] - [ 0.0001910800000000, -0.0000566800000000, 0.0000974600000000 ] - [ 0.0005075300000000, 0.0006983200000000, 0.0003664600000000 ] - [ -0.0002750400000000, 0.0002102600000000, 0.0000465600000000 ] - [ 0.0003462400000000, 0.0012576200000000, -0.0015365900000000 ] - [ -0.0006064500000000, 0.0000619500000000, -0.0000743300000000 ] - [ 0.0001455700000000, 0.0002152400000000, 0.0002220700000000 ] - [ -0.0002999500000000, 0.0011060100000000, 0.0005996600000000 ] - [ 0.0002802000000000, 0.0003092200000000, -0.0000584000000000 ] - [ 0.0000010700000000, 0.0003294900000000, -0.0006769300000000 ] - [ 0.0000361100000000, -0.0003506900000000, 0.0005400400000000 ] - [ -0.0002199000000000, -0.0002671200000000, -0.0001487600000000 ] - [ -0.0002677300000000, 0.0004224600000000, 0.0002845400000000 ] - [ 0.0000466900000000, -0.0006861400000000, 0.0004902100000000 ] - [ -0.0000227000000000, -0.0002904700000000, 0.0002348400000000 ] - [ 0.0001956100000000, -0.0003663700000000, -0.0000995700000000 ] - [ -0.0000316200000000, -0.0008429800000000, -0.0013052100000000 ] - [ 0.0007375200000000, -0.0003384200000000, 0.0000301400000000 ] - [ 0.0018474800000000, -0.0026654300000000, 0.0009017600000000 ] - [ -0.0004773600000000, -0.0008605900000000, 0.0004802900000000 ] - [ 0.0003234500000000, -0.0003066400000000, -0.0000390300000000 ] - [ 0.0011484400000000, -0.0016357000000000, -0.0007358300000000 ] - [ -0.0000264700000000, -0.0002924000000000, 0.0000493800000000 ] - [ 0.0001334700000000, -0.0002919800000000, 0.0002044400000000 ] - [ -0.0002213800000000, -0.0004273900000000, 0.0002936500000000 ] - [ 0.0007279600000000, -0.0001968200000000, -0.0003822400000000 ] - [ 0.0003047200000000, -0.0007827100000000, -0.0004898300000000 ] - [ -0.0000665600000000, -0.0004697700000000, 0.0006583700000000 ] - [ -0.0000278900000000, -0.0001899900000000, -0.0000831500000000 ] - [ 0.0002947000000000, -0.0000059100000000, -0.0000133300000000 ] - [ 0.0002946100000000, -0.0000686400000000, 0.0001921700000000 ] - [ -0.0001817700000000, -0.0002022300000000, 0.0001208600000000 ] - [ 0.0002262300000000, -0.0001414300000000, -0.0000540100000000 ] - [ 0.0000559200000000, -0.0000338600000000, -0.0002959800000000 ] - [ 0.0000173900000000, 0.0000951900000000, 0.0002089200000000 ] - [ -0.0001942400000000, -0.0005398100000000, -0.0003334800000000 ] - [ -0.0003997600000000, -0.0000692500000000, -0.0000910600000000 ] - [ 0.0003128900000000, -0.0002105600000000, 0.0001211100000000 ] - [ 0.0002764700000000, 0.0006557700000000, -0.0003929000000000 ] - [ -0.0001694500000000, 0.0005702800000000, 0.0007970900000000 ] - [ -0.0000006600000000, 0.0000837500000000, -0.0002457200000000 ] - [ 0.0000389000000000, -0.0001202000000000, 0.0000107700000000 ] - [ 0.0004996200000000, -0.0007036200000000, 0.0004446400000000 ] - [ -0.0000499400000000, 0.0001911600000000, 0.0000996400000000 ] - [ 0.0004056000000000, 0.0000710800000000, -0.0000605300000000 ] - [ 0.0000778800000000, -0.0006585900000000, -0.0010214000000000 ] - [ 0.0002162500000000, 0.0001545600000000, 0.0004183600000000 ] - [ -0.0000040000000000, -0.0001143200000000, 0.0000855900000000 ] - [ -0.0003381400000000, 0.0004172000000000, -0.0002332900000000 ] - [ 0.0006240100000000, -0.0001564200000000, -0.0003698000000000 ] - [ -0.0002659200000000, 0.0014157300000000, 0.0007848000000000 ] - [ 0.0009463200000000, 0.0006438700000000, -0.0004473900000000 ] - [ -0.0018394800000000, 0.0017480700000000, -0.0021061700000000 ] - [ 0.0004527500000000, -0.0004699700000000, -0.0000931200000000 ] - [ 0.0006950700000000, -0.0000934000000000, 0.0002709900000000 ] - [ -0.0025024700000000, 0.0023407300000000, 0.0002050500000000 ] - [ 0.0020314500000000, 0.0005442200000000, 0.0003642100000000 ] - [ -0.0001247300000000, -0.0005679300000000, 0.0020619400000000 ] - [ 0.0002856900000000, -0.0007106700000000, 0.0009581800000000 ] - [ -0.0009118000000000, -0.0013422700000000, -0.0016438900000000 ] - [ 0.0017039300000000, 0.0040187600000000, 0.0045037400000000 ] - [ 0.0003636700000000, -0.0001463400000000, 0.0000345800000000 ] - [ 0.0001087500000000, -0.0000243900000000, 0.0000095800000000 ] - [ 0.0001464400000000, -0.0002076800000000, 0.0000305600000000 ] - [ -0.0000328500000000, -0.0005905800000000, -0.0009068000000000 ] - [ -0.0006839100000000, -0.0000066100000000, -0.0001481900000000 ] - [ -0.0000556600000000, 0.0002602800000000, 0.0000822700000000 ] - [ -0.0004515000000000, -0.0006519200000000, 0.0004166500000000 ] - [ 0.0002386000000000, -0.0001843500000000, -0.0000449200000000 ] - [ -0.0002206500000000, 0.0001647300000000, -0.0000284000000000 ] - [ -0.0002241100000000, -0.0001662400000000, 0.0000460700000000 ] - [ -0.0006225000000000, 0.0007566400000000, -0.0005288300000000 ] - [ -0.0002656100000000, -0.0003973100000000, 0.0002341600000000 ] - [ 0.0000472100000000, 0.0001310300000000, 0.0002363400000000 ] - [ 0.0003477400000000, -0.0007965300000000, -0.0005064500000000 ] - [ -0.0002397100000000, -0.0005543700000000, 0.0008027900000000 ] - [ 0.0000187600000000, -0.0002568000000000, -0.0000785600000000 ] - [ -0.0010820300000000, -0.0002184600000000, -0.0001816300000000 ] - [ -0.0001312200000000, -0.0005651900000000, -0.0000816600000000 ] - [ -0.0000607800000000, -0.0003767500000000, 0.0000563800000000 ] - [ 0.0001750800000000, -0.0001855300000000, -0.0000378300000000 ] - [ -0.0000620000000000, -0.0004879600000000, 0.0003059900000000 ] - [ -0.0008636700000000, -0.0015658400000000, -0.0001610700000000 ] - [ -0.0005363700000000, -0.0011314500000000, -0.0007381900000000 ] - [ -0.0004586600000000, -0.0001866300000000, -0.0001828300000000 ] - [ -0.0005842600000000, -0.0054202400000000, -0.0007844800000000 ] - [ -0.0009327200000000, 0.0112187000000000, 0.0011598200000000 ] - [ -0.0013878500000000, -0.0013441600000000, 0.0000503700000000 ] - [ 0.0001204600000000, 0.0027424700000000, -0.0004678800000000 ] - [ 0.0002028600000000, -0.0066542200000000, -0.0008055900000000 ] - [ 0.0005787500000000, -0.0030880900000000, -0.0003538400000000 ] - [ 0.0026800400000000, -0.0007215900000000, -0.0002663000000000 ] - [ 0.0003733900000000, -0.0011788300000000, 0.0000196100000000 ] - [ -0.0003651700000000, -0.0011091000000000, -0.0001822200000000 ] - [ 0.0016638500000000, 0.0041605200000000, 0.0001355200000000 ] - [ 0.0010376400000000, -0.0015195500000000, 0.0000350100000000 ] - [ -0.0867801700000000, 0.2450009600000000, -0.0034039500000000 ] - [ -0.0004090400000000, -0.0007495200000000, -0.0001521100000000 ] - [ 0.0005152900000000, -0.0028037300000000, -0.0003094200000000 ] - [ -0.0029168500000000, -0.0001893000000000, 0.0000452600000000 ] - [ 0.0002555700000000, -0.0022263900000000, 0.0001220400000000 ] - [ -0.0003097800000000, 0.0053628100000000, -0.0103660400000000 ] - [ 0.0925655800000000, -0.2786537200000000, 0.0069726600000000 ] - [ 0.0011635900000000, 0.0013465400000000, 0.0002995600000000 ] - [ 0.0035855300000000, 0.0113505200000000, 0.0046910900000000 ] - [ 0.0012924200000000, 0.0038110800000000, 0.0025408300000000 ] - [ -0.0092380900000000, 0.0042028500000000, 0.0161779100000000 ] - [ 0.0026866900000000, 0.0020511100000000, -0.0010112800000000 ] - [ 0.0004534400000000, 0.0010790700000000, 0.0010397200000000 ] - [ 0.0008668500000000, 0.0007859100000000, -0.0003801000000000 ] - [ 0.0027174400000000, -0.0020776700000000, -0.0007915500000000 ] - [ 0.0012490400000000, 0.0010112800000000, 0.0001925400000000 ] - [ 0.0003677800000000, 0.0006425900000000, -0.0000830300000000 ] - [ 0.0000097000000000, -0.0023839800000000, -0.0003712000000000 ] - [ 0.0001745100000000, -0.0025716500000000, -0.0001606700000000 ] - [ 0.0013546600000000, 0.0000105300000000, 0.0001926200000000 ] - [ 0.0008027700000000, -0.0020203600000000, 0.0001269900000000 ] - [ -0.0010816900000000, -0.0014369100000000, 0.0010886700000000 ] - [ 0.0002788400000000, -0.0003500900000000, 0.0000519900000000 ] - [ 0.0003565700000000, 0.0006474400000000, -0.0002939400000000 ] - [ 0.0007231700000000, -0.0003956200000000, 0.0008921900000000 ] - [ 0.0009155800000000, 0.0002927300000000, -0.0004508700000000 ] - [ -0.0008976900000000, -0.0010117400000000, 0.0002129100000000 ] - [ 0.0000271000000000, 0.0008788300000000, -0.0001019500000000 ] - [ 0.0002857200000000, 0.0001065900000000, 0.0002083100000000 ] - [ 0.0000962600000000, 0.0008201200000000, -0.0001216500000000 ] - [ -0.0005284100000000, 0.0012736700000000, -0.0001215200000000 ] - [ 0.0000502500000000, 0.0022169000000000, 0.0002803500000000 ] - [ -0.0002166700000000, 0.0009892700000000, -0.0001299000000000 ] - [ -0.0004952100000000, 0.0015752200000000, 0.0011398500000000 ] - [ -0.0004844500000000, 0.0008766600000000, -0.0000404800000000 ] - [ 0.0002864900000000, 0.0009225600000000, -0.0001519900000000 ] - [ -0.0050701500000000, 0.0005203700000000, -0.0013728400000000 ] - [ -0.0017196800000000, 0.0016647100000000, -0.0001298200000000 ] - [ -0.0009483400000000, 0.0009896000000000, 0.0002169700000000 ] - [ -0.0001944600000000, 0.0010115400000000, -0.0001444300000000 ] - [ -0.0012748900000000, 0.0007645300000000, -0.0002474200000000 ] - [ -0.0002789200000000, 0.0007171600000000, 0.0003305300000000 ] - [ 0.0001439800000000, 0.0016145500000000, -0.0000453100000000 ] - [ 0.0000883300000000, 0.0002997100000000, 0.0002095100000000 ] - [ -0.0008640700000000, 0.0011384500000000, -0.0006179600000000 ] - [ -0.0001442800000000, 0.0011598900000000, 0.0007592500000000 ] - [ -0.0004489500000000, 0.0006643000000000, -0.0004337700000000 ] - [ 0.0001186200000000, -0.0007793500000000, -0.0003108300000000 ] - [ 0.0000922800000000, 0.0008367400000000, 0.0008228200000000 ] - [ 0.0000607600000000, 0.0006554400000000, -0.0002867500000000 ] - [ -0.0007674000000000, 0.0002584600000000, 0.0001886600000000 ] - [ 0.0000291300000000, -0.0000217200000000, -0.0000737400000000 ] - [ -0.0001080700000000, 0.0001645500000000, 0.0001497400000000 ] - [ -0.0002852700000000, -0.0006183800000000, 0.0003470400000000 ] - [ 0.0003229800000000, -0.0016307800000000, -0.0000428400000000 ] - [ 0.0006463700000000, 0.0005620400000000, 0.0001583700000000 ] - [ -0.0007384500000000, -0.0011560600000000, -0.0004621800000000 ] - [ -0.0005736200000000, -0.0005312900000000, 0.0007875300000000 ] - [ -0.0000688100000000, -0.0009056500000000, -0.0004078700000000 ] - [ -0.0002164000000000, -0.0003160700000000, -0.0001248500000000 ] - [ 0.0002462400000000, 0.0008275100000000, 0.0010212900000000 ] - [ -0.0001882300000000, 0.0005509300000000, -0.0001553300000000 ] - [ -0.0011121700000000, -0.0006479600000000, 0.0002396400000000 ] - [ -0.0002934900000000, 0.0002364800000000, -0.0002633900000000 ] - [ -0.0004216700000000, 0.0005227800000000, 0.0000933500000000 ] - [ -0.0004842600000000, -0.0016408000000000, -0.0000679500000000 ] - [ -0.0024042000000000, -0.0025717000000000, -0.0004264200000000 ] - [ -0.0001405100000000, 0.0004763800000000, 0.0002697900000000 ] - [ 0.0003234800000000, -0.0044302600000000, -0.0000610600000000 ] - [ 0.0029505100000000, -0.0010559400000000, 0.0005638300000000 ] - [ -0.0019840100000000, -0.0001314800000000, 0.0003696300000000 ] - [ 0.0000469600000000, 0.0010480300000000, -0.0005287200000000 ] - [ -0.0006963700000000, 0.0049626300000000, -0.0004973100000000 ] - [ 0.0004543800000000, 0.0021080000000000, -0.0013432000000000 ] - [ -0.0037949400000000, -0.0063748800000000, 0.0000060700000000 ] - [ -0.0005841100000000, 0.0025930100000000, 0.0000091500000000 ] - [ 0.0002633200000000, 0.0016395800000000, 0.0007337700000000 ] - [ 0.0000153000000000, 0.0004734400000000, -0.0000027400000000 ] - [ -0.0003902500000000, 0.0006727800000000, -0.0000944800000000 ] - [ 0.0010526200000000, 0.0000658900000000, 0.0002645800000000 ] - [ -0.0003294800000000, 0.0005105900000000, -0.0002937500000000 ] - [ -0.0002499700000000, 0.0005313800000000, 0.0009888500000000 ] - [ -0.0005435700000000, 0.0006111100000000, -0.0001495900000000 ] - [ 0.0006462200000000, 0.0004998000000000, -0.0001522100000000 ] - [ 0.0005165100000000, -0.0013918000000000, 0.0007169100000000 ] - [ 0.0015838700000000, -0.0006481000000000, -0.0007088000000000 ] - [ -0.0007977300000000, 0.0008386300000000, 0.0002126400000000 ] - [ 0.0007364800000000, 0.0002390500000000, -0.0000295800000000 ] - [ 0.0009307500000000, -0.0000946400000000, 0.0002287200000000 ] - [ -0.0002564000000000, 0.0007089300000000, 0.0003580200000000 ] - [ 0.0003158200000000, 0.0016136300000000, -0.0001183100000000 ] - [ 0.0016324000000000, 0.0001657900000000, 0.0002575900000000 ] - [ -0.0008544200000000, 0.0012550000000000, -0.0005662100000000 ] - [ -0.0004004500000000, 0.0011454500000000, 0.0008083100000000 ] - [ 0.0000912900000000, 0.0010380200000000, -0.0003161400000000 ] - [ 0.0038476000000000, -0.0002492300000000, -0.0006424700000000 ] - [ 0.0005244800000000, 0.0015974700000000, 0.0006783400000000 ] - [ 0.0022438400000000, 0.0024142900000000, -0.0013004000000000 ] - [ -0.0007274800000000, 0.0005118000000000, 0.0001625500000000 ] - [ -0.0002594600000000, 0.0068929700000000, 0.0004761600000000 ] - [ 0.0008383700000000, 0.0015986700000000, 0.0011064200000000 ]- atom: 122 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030106900000000, -0.0003435500000000, -0.0009713900000000 ] - [ -0.0002678200000000, -0.0014201700000000, -0.0003278600000000 ] - [ -0.0005854100000000, 0.0016025600000000, -0.0004703200000000 ] - [ 0.0000668200000000, 0.0011373200000000, -0.0005071600000000 ] - [ -0.0028799400000000, -0.0005206600000000, -0.0006450700000000 ] - [ 0.0019073000000000, -0.0048510700000000, 0.0007117400000000 ] - [ 0.0005041000000000, 0.0013497900000000, -0.0003613700000000 ] - [ 0.0000138500000000, 0.0021097600000000, -0.0003786100000000 ] - [ 0.0005480000000000, 0.0004035300000000, -0.0003324300000000 ] - [ 0.0016561800000000, 0.0026729500000000, -0.0019853000000000 ] - [ -0.0064524200000000, -0.0006579500000000, 0.0152438400000000 ] - [ 0.0000016000000000, 0.0020193000000000, 0.0038759700000000 ] - [ 0.0002251600000000, 0.0002937500000000, 0.0000352400000000 ] - [ 0.0001723500000000, 0.0003309200000000, 0.0000995000000000 ] - [ 0.0016602300000000, 0.0019609600000000, -0.0016955100000000 ] - [ 0.0051596300000000, -0.0015880400000000, -0.0013761200000000 ] - [ 0.0000542400000000, 0.0002618400000000, -0.0000584800000000 ] - [ 0.0008298900000000, 0.0009272500000000, 0.0012667800000000 ] - [ -0.0002582200000000, 0.0007954800000000, -0.0004991900000000 ] - [ 0.0002105700000000, -0.0016687900000000, 0.0010574600000000 ] - [ 0.0004775600000000, 0.0003438400000000, 0.0000326200000000 ] - [ -0.0001265300000000, -0.0013405400000000, -0.0007575600000000 ] - [ 0.0002992400000000, -0.0004353100000000, 0.0006432800000000 ] - [ -0.0003888200000000, -0.0007624200000000, 0.0003862100000000 ] - [ 0.0001265100000000, 0.0000183900000000, -0.0000160700000000 ] - [ 0.0004558400000000, 0.0002701500000000, 0.0003227800000000 ] - [ -0.0003016800000000, -0.0006222500000000, -0.0000546100000000 ] - [ 0.0002015900000000, -0.0002280500000000, -0.0000334100000000 ] - [ 0.0000428600000000, 0.0001672000000000, -0.0004742000000000 ] - [ -0.0000613400000000, 0.0001218000000000, 0.0001526600000000 ] - [ -0.0001587600000000, -0.0003727100000000, -0.0002416700000000 ] - [ -0.0004011600000000, -0.0001324700000000, -0.0001531000000000 ] - [ 0.0006223600000000, 0.0003968100000000, -0.0003597400000000 ] - [ 0.0004015300000000, 0.0009310500000000, -0.0006256600000000 ] - [ -0.0001697600000000, 0.0005931700000000, 0.0007907500000000 ] - [ -0.0000121900000000, 0.0003469200000000, 0.0001547300000000 ] - [ -0.0012142300000000, 0.0002571400000000, -0.0001212100000000 ] - [ -0.0012425400000000, 0.0021748100000000, -0.0003253500000000 ] - [ -0.0001249600000000, 0.0003748800000000, 0.0000651300000000 ] - [ 0.0001540200000000, 0.0002263800000000, -0.0000512400000000 ] - [ -0.0011106400000000, 0.0011429300000000, -0.0004142400000000 ] - [ 0.0000010100000000, 0.0005197600000000, 0.0006422800000000 ] - [ -0.0005014800000000, 0.0009284700000000, -0.0005921000000000 ] - [ -0.0004481200000000, 0.0001388700000000, -0.0001638000000000 ] - [ -0.0000576100000000, 0.0004839000000000, 0.0005107100000000 ] - [ 0.0000747700000000, 0.0001389900000000, 0.0000969600000000 ] - [ 0.0000913500000000, 0.0002400600000000, 0.0000354400000000 ] - [ -0.0000160000000000, 0.0006830400000000, -0.0010639400000000 ] - [ -0.0007707500000000, 0.0000851500000000, -0.0000767500000000 ] - [ 0.0003062600000000, 0.0005496800000000, 0.0003513500000000 ] - [ -0.0004192900000000, 0.0006840000000000, 0.0004230200000000 ] - [ 0.0002507600000000, 0.0002203800000000, -0.0000361100000000 ] - [ -0.0000117500000000, 0.0005270800000000, -0.0008514100000000 ] - [ -0.0000411900000000, -0.0003250600000000, 0.0004858700000000 ] - [ -0.0001847500000000, -0.0001031600000000, -0.0000589700000000 ] - [ -0.0002701400000000, 0.0003562300000000, 0.0002198300000000 ] - [ 0.0003572000000000, -0.0000766000000000, 0.0000077900000000 ] - [ 0.0001029200000000, -0.0000112900000000, -0.0000001500000000 ] - [ 0.0001934100000000, -0.0003404300000000, -0.0001022600000000 ] - [ -0.0000432600000000, -0.0005750400000000, -0.0008999800000000 ] - [ -0.0005147800000000, 0.0000407800000000, -0.0001007400000000 ] - [ 0.0001028900000000, 0.0002188400000000, 0.0001003600000000 ] - [ -0.0005498000000000, -0.0006705500000000, 0.0004433500000000 ] - [ 0.0000698000000000, -0.0001501700000000, -0.0000293800000000 ] - [ -0.0000334300000000, 0.0001626400000000, -0.0001290000000000 ] - [ -0.0002391200000000, 0.0000760300000000, 0.0002766900000000 ] - [ -0.0003740500000000, 0.0007548700000000, -0.0004763700000000 ] - [ -0.0003332000000000, -0.0007002200000000, 0.0003580900000000 ] - [ 0.0000472500000000, 0.0004432900000000, 0.0004972900000000 ] - [ 0.0006403100000000, -0.0020560700000000, -0.0011731000000000 ] - [ -0.0009154900000000, -0.0008653100000000, 0.0011343200000000 ] - [ 0.0017872300000000, -0.0012629100000000, 0.0009576900000000 ] - [ -0.0009250200000000, 0.0005469900000000, 0.0000024100000000 ] - [ -0.0000883600000000, 0.0005773900000000, 0.0002747600000000 ] - [ 0.0018952200000000, -0.0018665300000000, 0.0003393900000000 ] - [ -0.0015624400000000, -0.0004689600000000, -0.0004592400000000 ] - [ 0.0001700700000000, 0.0010624200000000, -0.0032050800000000 ] - [ -0.0003090500000000, 0.0004796100000000, -0.0002626600000000 ] - [ 0.0005356400000000, 0.0006941200000000, 0.0012505200000000 ] - [ -0.0023369500000000, -0.0036758000000000, -0.0043369200000000 ] - [ 0.0003058800000000, -0.0001424500000000, 0.0000960100000000 ] - [ 0.0002700600000000, 0.0006647700000000, -0.0004002300000000 ] - [ -0.0001207800000000, 0.0004352600000000, 0.0006611300000000 ] - [ -0.0000108600000000, 0.0000943800000000, -0.0002438700000000 ] - [ 0.0002073600000000, -0.0000736100000000, 0.0000583000000000 ] - [ 0.0006576700000000, -0.0007460600000000, 0.0004633500000000 ] - [ -0.0001504500000000, 0.0001666700000000, 0.0001285200000000 ] - [ 0.0002394200000000, 0.0001042400000000, -0.0000453800000000 ] - [ 0.0002649500000000, -0.0006622100000000, -0.0011240800000000 ] - [ 0.0001987900000000, 0.0003936500000000, 0.0006455100000000 ] - [ 0.0002445400000000, -0.0001182300000000, 0.0001391900000000 ] - [ -0.0004035800000000, 0.0001088500000000, -0.0001042600000000 ] - [ 0.0006229300000000, 0.0001560400000000, -0.0001074600000000 ] - [ 0.0000317000000000, 0.0001534600000000, 0.0001142000000000 ] - [ 0.0002645200000000, 0.0003246000000000, -0.0001088300000000 ] - [ -0.0000622600000000, 0.0007500200000000, -0.0010693900000000 ] - [ 0.0006060200000000, 0.0002972900000000, 0.0000916100000000 ] - [ 0.0007324900000000, 0.0010470400000000, 0.0006256200000000 ] - [ -0.0005393200000000, 0.0008575900000000, 0.0004870900000000 ] - [ 0.0003032700000000, 0.0002644200000000, -0.0000526200000000 ] - [ 0.0001060600000000, 0.0009815700000000, -0.0014541100000000 ] - [ 0.0008393300000000, 0.0013375900000000, 0.0008594100000000 ] - [ 0.0001576800000000, 0.0004888400000000, 0.0003461400000000 ] - [ -0.0002112800000000, 0.0004732400000000, 0.0003111900000000 ] - [ -0.0002562000000000, 0.0041077900000000, 0.0005118300000000 ] - [ 0.0017860800000000, -0.0124447800000000, -0.0014065800000000 ] - [ 0.0005344600000000, 0.0026260400000000, -0.0003183000000000 ] - [ 0.0007239900000000, -0.0014430300000000, 0.0001958000000000 ] - [ -0.0010418500000000, 0.0053404400000000, 0.0005376100000000 ] - [ 0.0002667000000000, 0.0017916700000000, 0.0000841600000000 ] - [ -0.0035197800000000, 0.0019985200000000, -0.0000033700000000 ] - [ 0.0004729700000000, 0.0024598500000000, -0.0002881300000000 ] - [ -0.0004810300000000, -0.0001745100000000, -0.0000863300000000 ] - [ -0.0008295600000000, -0.0053988000000000, -0.0004122800000000 ] - [ -0.0018741500000000, 0.0028012400000000, -0.0003032700000000 ] - [ 0.0816950300000000, -0.2309772800000000, 0.0029886100000000 ] - [ -0.0004369500000000, -0.0005434000000000, -0.0001176000000000 ] - [ 0.0003332500000000, 0.0015088000000000, 0.0000399100000000 ] - [ 0.0020696800000000, 0.0014656100000000, -0.0003123300000000 ] - [ 0.0005909000000000, 0.0035061900000000, -0.0003903700000000 ] - [ 0.0000662000000000, -0.0053551100000000, 0.0104516700000000 ] - [ -0.0870231300000000, 0.2651777500000000, -0.0071453400000000 ] - [ 0.0004497400000000, -0.0008019200000000, 0.0000895300000000 ] - [ -0.0046654300000000, -0.0114941100000000, -0.0053920100000000 ] - [ -0.0018783700000000, -0.0039652300000000, -0.0007025500000000 ] - [ 0.0085084600000000, -0.0041744000000000, -0.0167438900000000 ] - [ -0.0019307200000000, -0.0021198500000000, 0.0004918000000000 ] - [ 0.0001470800000000, -0.0012722500000000, 0.0007760900000000 ] - [ 0.0002640400000000, -0.0012398000000000, -0.0004414200000000 ] - [ -0.0043110800000000, 0.0025965000000000, 0.0011763800000000 ] - [ -0.0010137800000000, -0.0016767600000000, -0.0003723000000000 ] - [ -0.0001516700000000, -0.0007199100000000, 0.0003760700000000 ] - [ -0.0002355200000000, 0.0024533500000000, 0.0006549000000000 ] - [ -0.0004001100000000, 0.0032188900000000, -0.0000177800000000 ] - [ 0.0002609700000000, -0.0005491200000000, 0.0001964800000000 ] - [ -0.0019271300000000, 0.0024698600000000, -0.0009454000000000 ] - [ 0.0004795900000000, 0.0016350500000000, 0.0007267100000000 ] - [ -0.0010141900000000, 0.0004312000000000, -0.0005582100000000 ] - [ 0.0003828400000000, -0.0005589200000000, -0.0002130500000000 ] - [ -0.0001216600000000, 0.0005877300000000, 0.0009234000000000 ] - [ 0.0002163500000000, 0.0001632900000000, -0.0003714900000000 ] - [ -0.0007167700000000, 0.0004698500000000, 0.0001762900000000 ] - [ 0.0002020400000000, -0.0002089300000000, -0.0000796700000000 ] - [ -0.0000709800000000, -0.0000294300000000, 0.0000861100000000 ] - [ -0.0003093300000000, -0.0008965900000000, 0.0004152100000000 ] - [ 0.0002977200000000, -0.0019383200000000, -0.0000600100000000 ] - [ 0.0015619900000000, -0.0016742500000000, 0.0001092300000000 ] - [ -0.0009115200000000, -0.0014431200000000, -0.0006916000000000 ] - [ -0.0001042200000000, -0.0017693900000000, 0.0006756600000000 ] - [ -0.0002546400000000, -0.0009600200000000, -0.0004669300000000 ] - [ 0.0004536200000000, -0.0010064300000000, -0.0003559900000000 ] - [ 0.0057040500000000, -0.0007362300000000, 0.0032169500000000 ] - [ 0.0028379900000000, -0.0021101000000000, -0.0006958800000000 ] - [ -0.0006632900000000, -0.0004491900000000, 0.0001727600000000 ] - [ 0.0004245800000000, -0.0016751000000000, -0.0000363800000000 ] - [ 0.0014870500000000, -0.0008413200000000, 0.0005426300000000 ] - [ 0.0000652900000000, -0.0006354200000000, -0.0000347000000000 ] - [ -0.0003703600000000, -0.0009381600000000, -0.0001361900000000 ] - [ 0.0015224600000000, -0.0008358900000000, 0.0001789400000000 ] - [ -0.0002657600000000, -0.0006768800000000, -0.0002046500000000 ] - [ -0.0004547100000000, -0.0009579500000000, 0.0010556200000000 ] - [ -0.0002882400000000, -0.0005734000000000, -0.0000723600000000 ] - [ 0.0006203700000000, 0.0008676200000000, -0.0001998400000000 ] - [ 0.0005072900000000, -0.0006357000000000, 0.0009917300000000 ] - [ 0.0010715800000000, -0.0001931200000000, -0.0005366300000000 ] - [ -0.0008441500000000, -0.0007940600000000, 0.0002010000000000 ] - [ 0.0001971700000000, 0.0006989900000000, -0.0001073700000000 ] - [ 0.0003219200000000, -0.0000834900000000, 0.0001440400000000 ] - [ 0.0000718400000000, 0.0005358000000000, -0.0000508700000000 ] - [ -0.0005478200000000, 0.0009538800000000, -0.0001379700000000 ] - [ 0.0009650300000000, -0.0000248700000000, 0.0002298300000000 ] - [ -0.0003879200000000, 0.0006885000000000, -0.0003589300000000 ] - [ -0.0000269300000000, 0.0003288600000000, 0.0010260300000000 ] - [ -0.0006684800000000, 0.0008196700000000, -0.0001019000000000 ] - [ 0.0009511100000000, 0.0002244800000000, -0.0003827900000000 ] - [ 0.0003521400000000, -0.0010224200000000, 0.0007945100000000 ] - [ 0.0013142000000000, -0.0010066800000000, -0.0006660200000000 ] - [ -0.0004983400000000, 0.0011790800000000, 0.0001489500000000 ] - [ 0.0005181400000000, -0.0009097100000000, 0.0000812500000000 ] - [ 0.0006327900000000, -0.0006000100000000, 0.0002019900000000 ] - [ 0.0002813600000000, 0.0017145500000000, 0.0003652900000000 ] - [ 0.0021596100000000, 0.0032190400000000, 0.0002403400000000 ] - [ 0.0017462700000000, -0.0010128200000000, 0.0001192000000000 ] - [ -0.0013670500000000, 0.0048569500000000, -0.0007350300000000 ] - [ -0.0035454300000000, 0.0012641400000000, 0.0012478200000000 ] - [ 0.0012331800000000, 0.0002125200000000, -0.0008696700000000 ] - [ 0.0006908900000000, -0.0009566600000000, 0.0000195600000000 ] - [ 0.0012540400000000, -0.0046784300000000, 0.0022996400000000 ] - [ 0.0006687300000000, -0.0016435200000000, 0.0005182400000000 ] - [ 0.0021956400000000, 0.0057524500000000, 0.0002999500000000 ] - [ 0.0008078500000000, -0.0019107000000000, -0.0001898400000000 ] - [ -0.0000502300000000, -0.0015526500000000, -0.0004377800000000 ] - [ -0.0002284700000000, -0.0005507200000000, 0.0002964100000000 ] - [ 0.0001614400000000, -0.0013386700000000, -0.0000879600000000 ] - [ 0.0005589000000000, 0.0004749300000000, 0.0001245700000000 ] - [ -0.0007987700000000, -0.0009656800000000, -0.0005280700000000 ] - [ -0.0003482500000000, -0.0007255600000000, 0.0008273600000000 ] - [ -0.0001957400000000, -0.0006958600000000, -0.0003584100000000 ] - [ 0.0000924400000000, -0.0005831500000000, -0.0003546600000000 ] - [ 0.0000842200000000, 0.0011984300000000, 0.0010994300000000 ] - [ -0.0004581400000000, 0.0001952700000000, -0.0001109600000000 ] - [ -0.0008140200000000, -0.0002982000000000, 0.0001765200000000 ] - [ -0.0005056500000000, -0.0009047700000000, -0.0001517400000000 ] - [ -0.0007168800000000, 0.0000183800000000, 0.0000649900000000 ] - [ 0.0000413400000000, -0.0006275100000000, -0.0000619600000000 ] - [ -0.0005432100000000, -0.0009389400000000, -0.0000629800000000 ] - [ -0.0000214600000000, -0.0007018400000000, 0.0001296700000000 ] - [ -0.0002774200000000, -0.0007922000000000, -0.0002567800000000 ] - [ -0.0001989600000000, -0.0009460200000000, 0.0010067300000000 ] - [ -0.0008300600000000, -0.0009486900000000, -0.0001926900000000 ] - [ -0.0031171600000000, 0.0003397900000000, 0.0001340500000000 ] - [ 0.0000736300000000, -0.0013967600000000, 0.0011368000000000 ] - [ -0.0011144100000000, -0.0019553500000000, 0.0004794300000000 ] - [ -0.0008842500000000, -0.0010474600000000, 0.0002260700000000 ] - [ 0.0004768400000000, -0.0062360300000000, -0.0006596000000000 ] - [ -0.0006236900000000, -0.0015177400000000, -0.0008140100000000 ]- atom: 122 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004497600000000, 0.0002208400000000, -0.0004355300000000 ] - [ 0.0002063000000000, 0.0000163200000000, -0.0004056000000000 ] - [ -0.0000284500000000, -0.0000988100000000, -0.0004122000000000 ] - [ 0.0000203900000000, 0.0000018100000000, -0.0004530800000000 ] - [ 0.0001579600000000, -0.0001834500000000, -0.0004477900000000 ] - [ -0.0036426300000000, -0.0015107900000000, 0.0036830000000000 ] - [ 0.0000234900000000, 0.0000918800000000, -0.0004718200000000 ] - [ -0.0000135200000000, 0.0000481500000000, -0.0004377700000000 ] - [ 0.0003357100000000, -0.0001596000000000, 0.0000496100000000 ] - [ 0.0019307600000000, 0.0029622200000000, -0.0022946600000000 ] - [ 0.0075018800000000, -0.0105301800000000, -0.0058387400000000 ] - [ -0.0000477000000000, -0.0008622600000000, -0.0020317000000000 ] - [ -0.0002297200000000, -0.0000471200000000, -0.0000450600000000 ] - [ 0.0002945400000000, -0.0002232300000000, 0.0002641900000000 ] - [ -0.0007308800000000, -0.0007028700000000, 0.0013394200000000 ] - [ 0.0018505700000000, 0.0006252000000000, -0.0010378700000000 ] - [ 0.0000232800000000, -0.0002342000000000, -0.0005607900000000 ] - [ -0.0000880800000000, 0.0000382800000000, 0.0002631400000000 ] - [ -0.0001912400000000, 0.0003306100000000, -0.0002011600000000 ] - [ 0.0003015200000000, 0.0000999100000000, 0.0004619500000000 ] - [ 0.0003323100000000, 0.0001315100000000, 0.0000652400000000 ] - [ 0.0004279800000000, -0.0002270000000000, 0.0000148900000000 ] - [ -0.0000095600000000, -0.0001064700000000, 0.0004508500000000 ] - [ 0.0002043400000000, 0.0004290200000000, -0.0008644200000000 ] - [ -0.0002138800000000, 0.0000360000000000, -0.0000433000000000 ] - [ 0.0002979500000000, 0.0002357300000000, 0.0002702000000000 ] - [ -0.0003245600000000, 0.0003077300000000, 0.0003444700000000 ] - [ 0.0003598000000000, 0.0000616300000000, -0.0000553400000000 ] - [ 0.0000200100000000, 0.0002357700000000, -0.0005699600000000 ] - [ -0.0000100200000000, -0.0001138600000000, 0.0003456400000000 ] - [ -0.0001850900000000, -0.0003253900000000, -0.0001976700000000 ] - [ -0.0003151900000000, 0.0001509400000000, 0.0001082400000000 ] - [ 0.0003894500000000, -0.0002101100000000, -0.0000982000000000 ] - [ 0.0001878100000000, 0.0003331600000000, -0.0002021300000000 ] - [ 0.0000093200000000, 0.0001228100000000, 0.0003517300000000 ] - [ -0.0000310200000000, -0.0002422000000000, -0.0005561100000000 ] - [ -0.0005687100000000, -0.0003721000000000, -0.0002699300000000 ] - [ 0.0007628400000000, -0.0019579300000000, 0.0034072400000000 ] - [ -0.0003120900000000, -0.0002452300000000, 0.0002745800000000 ] - [ 0.0002229000000000, -0.0000346200000000, -0.0000433400000000 ] - [ -0.0001294000000000, -0.0001213700000000, 0.0001596700000000 ] - [ -0.0000783600000000, 0.0000677200000000, 0.0002616900000000 ] - [ 0.0003316100000000, 0.0001452700000000, -0.0013096300000000 ] - [ -0.0003363700000000, -0.0001417200000000, 0.0000623200000000 ] - [ 0.0003709600000000, 0.0001103900000000, -0.0000344200000000 ] - [ 0.0001926100000000, -0.0003194300000000, -0.0001948900000000 ] - [ 0.0000144100000000, -0.0001215400000000, 0.0003446000000000 ] - [ -0.0000202300000000, 0.0002481400000000, -0.0005766000000000 ] - [ -0.0001348900000000, 0.0000461800000000, -0.0000431700000000 ] - [ 0.0003123200000000, 0.0002283300000000, 0.0002710800000000 ] - [ -0.0002945300000000, 0.0002364100000000, 0.0002690600000000 ] - [ 0.0002498300000000, 0.0000394300000000, -0.0000450900000000 ] - [ 0.0000346000000000, 0.0002377700000000, -0.0005668300000000 ] - [ 0.0000063100000000, -0.0000965800000000, 0.0003272700000000 ] - [ -0.0001715200000000, -0.0003195900000000, -0.0001923700000000 ] - [ -0.0003296200000000, 0.0001456500000000, 0.0000697600000000 ] - [ 0.0003401200000000, -0.0001447000000000, 0.0000617200000000 ] - [ 0.0002018700000000, 0.0003106700000000, -0.0001885000000000 ] - [ 0.0000565000000000, 0.0001041300000000, 0.0003145700000000 ] - [ -0.0000115300000000, -0.0002470300000000, -0.0005660400000000 ] - [ -0.0002373900000000, -0.0000433600000000, -0.0000455800000000 ] - [ 0.0002988400000000, -0.0002356100000000, 0.0002693500000000 ] - [ -0.0002734300000000, -0.0002419300000000, 0.0002590200000000 ] - [ 0.0003468300000000, -0.0000702900000000, -0.0000612800000000 ] - [ 0.0000209900000000, -0.0002451700000000, -0.0005689000000000 ] - [ -0.0000188000000000, 0.0000958300000000, 0.0003280400000000 ] - [ -0.0001926100000000, 0.0003220700000000, -0.0001974400000000 ] - [ -0.0001955900000000, -0.0002255300000000, 0.0002039300000000 ] - [ 0.0003386600000000, 0.0001355700000000, 0.0000464500000000 ] - [ 0.0004848200000000, -0.0004349600000000, -0.0004681800000000 ] - [ -0.0000504600000000, -0.0002333500000000, 0.0002847900000000 ] - [ 0.0004619800000000, 0.0000320100000000, 0.0003248500000000 ] - [ -0.0002973700000000, 0.0000091300000000, -0.0000735400000000 ] - [ 0.0001133100000000, 0.0002769700000000, 0.0001756200000000 ] - [ -0.0012505200000000, -0.0000982200000000, 0.0000125600000000 ] - [ 0.0028908100000000, 0.0005866400000000, 0.0016726100000000 ] - [ -0.0002283800000000, 0.0005262200000000, -0.0001158000000000 ] - [ -0.0000321700000000, -0.0000959500000000, 0.0003052000000000 ] - [ -0.0002755400000000, -0.0004474100000000, -0.0004308600000000 ] - [ -0.0043080800000000, -0.0023574300000000, -0.0045948300000000 ] - [ 0.0003661900000000, -0.0001227800000000, 0.0000373700000000 ] - [ 0.0002025700000000, 0.0003282400000000, -0.0002031000000000 ] - [ 0.0000183600000000, 0.0001130000000000, 0.0003410100000000 ] - [ -0.0000128800000000, -0.0002349800000000, -0.0005656700000000 ] - [ -0.0001359500000000, -0.0000278000000000, -0.0000265500000000 ] - [ 0.0003757000000000, -0.0002294300000000, 0.0002812800000000 ] - [ -0.0002798200000000, -0.0002135800000000, 0.0002612900000000 ] - [ 0.0002547200000000, -0.0000374700000000, -0.0000463400000000 ] - [ 0.0000562100000000, -0.0002319900000000, -0.0006343700000000 ] - [ 0.0000140100000000, 0.0001481500000000, 0.0003954200000000 ] - [ -0.0001853100000000, 0.0002886200000000, -0.0001391800000000 ] - [ -0.0003364800000000, -0.0001366100000000, 0.0000609200000000 ] - [ 0.0003139300000000, 0.0001472200000000, 0.0001169800000000 ] - [ 0.0001881000000000, -0.0003145300000000, -0.0001913300000000 ] - [ 0.0000220000000000, -0.0000940600000000, 0.0003274900000000 ] - [ -0.0000248100000000, 0.0002557000000000, -0.0005779600000000 ] - [ -0.0002544000000000, 0.0000329500000000, -0.0000446300000000 ] - [ 0.0003053500000000, 0.0002671300000000, 0.0002799100000000 ] - [ -0.0003066600000000, 0.0002506200000000, 0.0002743000000000 ] - [ 0.0002341200000000, 0.0000454100000000, -0.0000446200000000 ] - [ 0.0000177600000000, 0.0002807200000000, -0.0006033800000000 ] - [ -0.0004761200000000, -0.0008244200000000, 0.0006920700000000 ] - [ -0.0001845000000000, -0.0002849300000000, -0.0001800000000000 ] - [ -0.0003375300000000, 0.0001485000000000, 0.0000652500000000 ] - [ -0.0006933400000000, -0.0000217700000000, -0.0001660600000000 ] - [ -0.0021418500000000, -0.0015832900000000, -0.0003164100000000 ] - [ -0.0003745800000000, 0.0006800700000000, -0.0001545900000000 ] - [ 0.0003503700000000, 0.0004486300000000, -0.0002842100000000 ] - [ -0.0009602200000000, -0.0002957500000000, 0.0001083700000000 ] - [ 0.0004024900000000, -0.0006431100000000, -0.0001342900000000 ] - [ 0.0003543000000000, -0.0001303500000000, -0.0004444300000000 ] - [ 0.0004643800000000, 0.0006460200000000, -0.0001317600000000 ] - [ -0.0003805500000000, -0.0006800700000000, -0.0001376200000000 ] - [ 0.0008337400000000, -0.0002543900000000, -0.0017477300000000 ] - [ -0.0004938500000000, 0.0005899900000000, -0.0001001500000000 ] - [ -0.0026376700000000, -0.0000486500000000, 0.0352525800000000 ] - [ -0.0001597200000000, -0.0005486700000000, -0.0001688300000000 ] - [ 0.0004235800000000, -0.0005873600000000, -0.0001313100000000 ] - [ -0.0001180800000000, 0.0013816900000000, -0.0002441300000000 ] - [ 0.0003741100000000, 0.0007190100000000, -0.0001461200000000 ] - [ 0.0067285100000000, -0.0192708100000000, 0.0058836600000000 ] - [ 0.0098409000000000, 0.0074420300000000, -0.0662684300000000 ] - [ 0.0007972300000000, 0.0002631700000000, 0.0001618900000000 ] - [ -0.0019535800000000, 0.0072819400000000, -0.0032660700000000 ] - [ -0.0015520500000000, -0.0017221300000000, 0.0030483500000000 ] - [ -0.0105878200000000, 0.0139059100000000, 0.0192826700000000 ] - [ 0.0007188700000000, 0.0003725200000000, -0.0009545700000000 ] - [ 0.0003000600000000, -0.0001160400000000, 0.0009037400000000 ] - [ 0.0005275000000000, -0.0002401200000000, -0.0003913200000000 ] - [ -0.0018482700000000, -0.0000871900000000, 0.0008733600000000 ] - [ 0.0000401900000000, -0.0004060700000000, -0.0000160200000000 ] - [ 0.0001043600000000, -0.0000473600000000, 0.0001650700000000 ] - [ -0.0004109600000000, -0.0000465000000000, -0.0006948500000000 ] - [ 0.0001476200000000, 0.0006902200000000, -0.0001738900000000 ] - [ 0.0007827900000000, -0.0002809000000000, 0.0001743800000000 ] - [ 0.0001760900000000, 0.0001041900000000, -0.0002377500000000 ] - [ -0.0007028600000000, -0.0000010900000000, 0.0009166800000000 ] - [ -0.0003847600000000, 0.0000333500000000, -0.0003417700000000 ] - [ 0.0003572800000000, 0.0000445200000000, -0.0002441800000000 ] - [ 0.0002658800000000, 0.0001302600000000, 0.0009230700000000 ] - [ 0.0005225500000000, 0.0002284900000000, -0.0003989700000000 ] - [ -0.0009196900000000, -0.0002961600000000, 0.0001953500000000 ] - [ 0.0000965500000000, 0.0003536500000000, -0.0000950000000000 ] - [ 0.0000869500000000, 0.0000461200000000, 0.0001384300000000 ] - [ -0.0000906400000000, -0.0000546600000000, 0.0001417700000000 ] - [ -0.0000908500000000, -0.0003798300000000, -0.0000947600000000 ] - [ 0.0015255700000000, -0.0002666100000000, 0.0006405800000000 ] - [ -0.0005302400000000, -0.0002319000000000, -0.0004076100000000 ] - [ -0.0002510000000000, -0.0001429700000000, 0.0008929800000000 ] - [ -0.0003612400000000, -0.0000654600000000, -0.0002461600000000 ] - [ 0.0004421100000000, -0.0000315600000000, -0.0002033500000000 ] - [ 0.0023834600000000, -0.0014240600000000, 0.0026572400000000 ] - [ -0.0002002400000000, 0.0009394600000000, -0.0012166100000000 ] - [ -0.0007882500000000, 0.0002712200000000, 0.0001914400000000 ] - [ 0.0001517400000000, -0.0000670200000000, -0.0000146800000000 ] - [ 0.0001774000000000, 0.0000882100000000, 0.0005813200000000 ] - [ -0.0001069900000000, 0.0000372400000000, 0.0001414000000000 ] - [ -0.0001030700000000, 0.0003703500000000, -0.0000940100000000 ] - [ 0.0006604200000000, -0.0001771900000000, 0.0001958100000000 ] - [ -0.0005638300000000, 0.0002209500000000, -0.0004050300000000 ] - [ -0.0003138000000000, 0.0000819100000000, 0.0009123000000000 ] - [ -0.0003801200000000, 0.0000654900000000, -0.0002486100000000 ] - [ 0.0003528700000000, -0.0000205100000000, -0.0003069700000000 ] - [ 0.0002689100000000, 0.0001183400000000, 0.0009010400000000 ] - [ 0.0003758200000000, 0.0002442200000000, -0.0003531700000000 ] - [ -0.0008183600000000, -0.0002700100000000, 0.0001923100000000 ] - [ 0.0000245400000000, 0.0003359200000000, -0.0000750300000000 ] - [ 0.0000130300000000, 0.0000269300000000, 0.0001405000000000 ] - [ -0.0001675000000000, -0.0000171700000000, 0.0001553600000000 ] - [ -0.0001144000000000, -0.0002985500000000, -0.0000166100000000 ] - [ 0.0007976600000000, 0.0002719800000000, 0.0001928700000000 ] - [ -0.0004033600000000, -0.0002705600000000, -0.0003045300000000 ] - [ -0.0003359700000000, -0.0000620200000000, 0.0008957200000000 ] - [ -0.0004838200000000, -0.0000451700000000, -0.0002722100000000 ] - [ 0.0003443400000000, -0.0000176300000000, -0.0002205000000000 ] - [ 0.0002988200000000, -0.0001047000000000, 0.0009051200000000 ] - [ 0.0005667500000000, -0.0002143400000000, -0.0004035100000000 ] - [ -0.0009158500000000, 0.0003533500000000, 0.0001553900000000 ] - [ 0.0001226900000000, -0.0002891100000000, -0.0001092400000000 ] - [ 0.0001102900000000, -0.0000224800000000, 0.0001413400000000 ] - [ -0.0020354900000000, 0.0001656400000000, 0.0011876000000000 ] - [ -0.0003081700000000, 0.0004265400000000, -0.0001694400000000 ] - [ 0.0008231200000000, -0.0002106300000000, 0.0002153600000000 ] - [ 0.0018483000000000, -0.0007145100000000, -0.0003564100000000 ] - [ -0.0018378200000000, -0.0005744300000000, 0.0008421900000000 ] - [ -0.0002226900000000, 0.0003091600000000, -0.0000171900000000 ] - [ 0.0003907800000000, 0.0000263600000000, -0.0002237200000000 ] - [ 0.0004220400000000, 0.0009810100000000, 0.0003288100000000 ] - [ 0.0007319900000000, 0.0001739500000000, -0.0005227400000000 ] - [ -0.0079463200000000, 0.0074040100000000, 0.0108563200000000 ] - [ 0.0002086900000000, 0.0002370600000000, -0.0000589800000000 ] - [ 0.0002367200000000, 0.0000559400000000, 0.0003099400000000 ] - [ -0.0001244500000000, -0.0000421800000000, 0.0001409200000000 ] - [ -0.0001187700000000, -0.0003508800000000, -0.0000931500000000 ] - [ 0.0007055900000000, 0.0002453600000000, 0.0001757200000000 ] - [ -0.0005834300000000, -0.0002406100000000, -0.0004063300000000 ] - [ -0.0003376500000000, -0.0001075600000000, 0.0009126600000000 ] - [ -0.0003730500000000, -0.0000494900000000, -0.0002422100000000 ] - [ 0.0003272700000000, -0.0000877400000000, -0.0002716700000000 ] - [ 0.0002810300000000, -0.0000933800000000, 0.0009711200000000 ] - [ 0.0003747100000000, -0.0003258000000000, -0.0003230000000000 ] - [ -0.0008171000000000, 0.0002491200000000, 0.0001922200000000 ] - [ -0.0000120600000000, -0.0005200000000000, -0.0001090900000000 ] - [ 0.0000122600000000, -0.0001342500000000, 0.0000466800000000 ] - [ -0.0000993400000000, 0.0000212800000000, 0.0001311500000000 ] - [ -0.0001231600000000, 0.0002971500000000, -0.0000935900000000 ] - [ 0.0008334200000000, -0.0002818900000000, 0.0002149800000000 ] - [ -0.0005415800000000, 0.0001994900000000, -0.0003987200000000 ] - [ -0.0002876100000000, 0.0000875400000000, 0.0009047300000000 ] - [ -0.0003736700000000, 0.0000061300000000, -0.0002392600000000 ] - [ 0.0009691800000000, 0.0009711400000000, 0.0012577500000000 ] - [ 0.0003081200000000, 0.0000257500000000, 0.0009156900000000 ] - [ 0.0006486300000000, 0.0001418000000000, -0.0004010500000000 ] - [ -0.0007952900000000, -0.0002831200000000, 0.0001925400000000 ] - [ 0.0002966000000000, -0.0002305200000000, -0.0009643700000000 ] - [ 0.0001422100000000, -0.0000926000000000, 0.0000689200000000 ]- atom: 122 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004345900000000, -0.0002245000000000, -0.0004752800000000 ] - [ -0.0002084400000000, -0.0000256100000000, -0.0005024200000000 ] - [ 0.0000246500000000, 0.0001098200000000, -0.0004963600000000 ] - [ -0.0000202000000000, 0.0000049400000000, -0.0004554700000000 ] - [ -0.0001814700000000, 0.0001798700000000, -0.0004601100000000 ] - [ 0.0035683700000000, 0.0011562800000000, -0.0042071400000000 ] - [ -0.0000200900000000, -0.0000830000000000, -0.0004360500000000 ] - [ 0.0000139900000000, -0.0000347700000000, -0.0004701600000000 ] - [ 0.0003363300000000, -0.0001234100000000, 0.0000770300000000 ] - [ -0.0015600400000000, -0.0023359600000000, 0.0019150300000000 ] - [ -0.0075031400000000, 0.0108811100000000, 0.0063714900000000 ] - [ 0.0000053300000000, 0.0003881700000000, 0.0009259100000000 ] - [ -0.0002447100000000, -0.0000303700000000, -0.0000443300000000 ] - [ 0.0003036100000000, -0.0002505700000000, 0.0002762300000000 ] - [ 0.0001422100000000, 0.0002334400000000, -0.0008095400000000 ] - [ -0.0013589800000000, -0.0007125800000000, 0.0009414700000000 ] - [ 0.0000204000000000, -0.0002557800000000, -0.0005819100000000 ] - [ 0.0000649800000000, 0.0001931500000000, 0.0004302200000000 ] - [ -0.0001899000000000, 0.0003165800000000, -0.0001930600000000 ] - [ -0.0009688300000000, -0.0003945300000000, -0.0003315200000000 ] - [ 0.0003386600000000, 0.0001566900000000, 0.0000639400000000 ] - [ -0.0000497000000000, -0.0004231300000000, -0.0004110000000000 ] - [ 0.0000395000000000, -0.0001220900000000, 0.0002396000000000 ] - [ -0.0002508700000000, 0.0000590200000000, -0.0002772000000000 ] - [ -0.0002616300000000, 0.0000433500000000, -0.0000464100000000 ] - [ 0.0003023500000000, 0.0002425900000000, 0.0002721100000000 ] - [ -0.0002749400000000, 0.0001662600000000, 0.0001964500000000 ] - [ 0.0001181400000000, 0.0000163100000000, -0.0000351200000000 ] - [ 0.0000236400000000, 0.0002574700000000, -0.0005762300000000 ] - [ -0.0000189400000000, -0.0001110100000000, 0.0003405000000000 ] - [ -0.0001949500000000, -0.0003186500000000, -0.0001944200000000 ] - [ -0.0003547400000000, 0.0001350800000000, 0.0000209100000000 ] - [ 0.0002836500000000, -0.0000722400000000, 0.0002232100000000 ] - [ 0.0001941100000000, 0.0003147300000000, -0.0001924500000000 ] - [ 0.0000184100000000, 0.0001064400000000, 0.0003383800000000 ] - [ -0.0000123300000000, -0.0002475000000000, -0.0005861700000000 ] - [ 0.0000837600000000, 0.0002948000000000, 0.0001803200000000 ] - [ -0.0001552800000000, 0.0014745800000000, -0.0029031100000000 ] - [ -0.0002856600000000, -0.0002286300000000, 0.0002658600000000 ] - [ 0.0002546700000000, -0.0000430700000000, -0.0000466800000000 ] - [ 0.0001678600000000, -0.0003685900000000, -0.0013094500000000 ] - [ 0.0000500800000000, 0.0001617800000000, 0.0004282800000000 ] - [ -0.0007166800000000, 0.0005000200000000, 0.0009226800000000 ] - [ -0.0003343500000000, -0.0001434000000000, 0.0000655100000000 ] - [ 0.0002962000000000, 0.0001793100000000, 0.0001677900000000 ] - [ 0.0001876000000000, -0.0003221500000000, -0.0001958600000000 ] - [ 0.0000144900000000, -0.0001026300000000, 0.0003414100000000 ] - [ -0.0000230100000000, 0.0002476500000000, -0.0005721500000000 ] - [ -0.0003458800000000, 0.0000336300000000, -0.0000467000000000 ] - [ 0.0002867000000000, 0.0002513600000000, 0.0002711200000000 ] - [ -0.0003048800000000, 0.0002436300000000, 0.0002732600000000 ] - [ 0.0002284500000000, 0.0000411200000000, -0.0000448900000000 ] - [ 0.0000087100000000, 0.0002574900000000, -0.0005812900000000 ] - [ -0.0000340000000000, -0.0001319800000000, 0.0003632300000000 ] - [ -0.0002087900000000, -0.0003227400000000, -0.0001987400000000 ] - [ -0.0003400900000000, 0.0001425400000000, 0.0000602000000000 ] - [ 0.0003301100000000, -0.0001419300000000, 0.0000673300000000 ] - [ 0.0001777400000000, 0.0003305600000000, -0.0002017000000000 ] - [ -0.0000275200000000, 0.0001204900000000, 0.0003724700000000 ] - [ -0.0000320700000000, -0.0002487500000000, -0.0005827200000000 ] - [ -0.0002425700000000, -0.0000356200000000, -0.0000447400000000 ] - [ 0.0002986200000000, -0.0002384800000000, 0.0002708500000000 ] - [ -0.0003270300000000, -0.0002389300000000, 0.0002838200000000 ] - [ 0.0001290000000000, -0.0000100100000000, -0.0000282600000000 ] - [ 0.0000220800000000, -0.0002450900000000, -0.0005738000000000 ] - [ -0.0000106100000000, 0.0001305100000000, 0.0003598100000000 ] - [ -0.0001894300000000, 0.0003252300000000, -0.0001969500000000 ] - [ -0.0004731800000000, -0.0000662100000000, -0.0000697600000000 ] - [ 0.0003293700000000, 0.0001535000000000, 0.0000863400000000 ] - [ -0.0000995500000000, -0.0002130700000000, 0.0000738200000000 ] - [ 0.0000761200000000, -0.0000011600000000, 0.0004075800000000 ] - [ -0.0005072800000000, 0.0004526900000000, -0.0014615500000000 ] - [ -0.0001841900000000, 0.0000744700000000, -0.0000151700000000 ] - [ 0.0004843700000000, 0.0002017500000000, 0.0003664500000000 ] - [ 0.0006638800000000, 0.0005676000000000, 0.0005224900000000 ] - [ -0.0023995600000000, -0.0005041300000000, -0.0017307700000000 ] - [ 0.0002776300000000, -0.0000306400000000, -0.0010625800000000 ] - [ 0.0000018300000000, -0.0001264600000000, 0.0003784200000000 ] - [ -0.0000952700000000, -0.0001888400000000, 0.0000559100000000 ] - [ 0.0036064700000000, 0.0026127200000000, 0.0047136400000000 ] - [ 0.0003034400000000, -0.0001648200000000, 0.0000932200000000 ] - [ 0.0001785800000000, 0.0003179100000000, -0.0001903100000000 ] - [ 0.0000096000000000, 0.0001153200000000, 0.0003483600000000 ] - [ -0.0000304000000000, -0.0002564000000000, -0.0005787100000000 ] - [ -0.0003377300000000, -0.0000517900000000, -0.0000623800000000 ] - [ 0.0002265000000000, -0.0002532900000000, 0.0002628100000000 ] - [ -0.0003183100000000, -0.0002619700000000, 0.0002797200000000 ] - [ 0.0002232600000000, -0.0000409800000000, -0.0000436700000000 ] - [ -0.0000108000000000, -0.0002652300000000, -0.0005175300000000 ] - [ -0.0000407800000000, 0.0000803700000000, 0.0002946700000000 ] - [ -0.0001917400000000, 0.0003510800000000, -0.0002495700000000 ] - [ -0.0003339100000000, -0.0001486900000000, 0.0000672400000000 ] - [ 0.0003577500000000, 0.0001403700000000, 0.0000118900000000 ] - [ 0.0001919900000000, -0.0003269800000000, -0.0001994100000000 ] - [ 0.0000080600000000, -0.0001297300000000, 0.0003577700000000 ] - [ -0.0000186100000000, 0.0002403300000000, -0.0005706700000000 ] - [ -0.0002165900000000, 0.0000482100000000, -0.0000442700000000 ] - [ 0.0002965600000000, 0.0002158200000000, 0.0002639100000000 ] - [ -0.0002933700000000, 0.0002304800000000, 0.0002683800000000 ] - [ 0.0002448200000000, 0.0000355100000000, -0.0000455400000000 ] - [ 0.0000265700000000, 0.0002174100000000, -0.0005481800000000 ] - [ 0.0004516900000000, 0.0005979900000000, -0.0000041600000000 ] - [ -0.0001933600000000, -0.0003534100000000, -0.0002084500000000 ] - [ -0.0003316100000000, 0.0001405400000000, 0.0000655000000000 ] - [ -0.0001341300000000, -0.0012406300000000, -0.0000938700000000 ] - [ 0.0029906500000000, 0.0002210700000000, 0.0000720700000000 ] - [ -0.0004530400000000, 0.0006191000000000, -0.0001120700000000 ] - [ 0.0004840500000000, 0.0008253900000000, 0.0000192000000000 ] - [ 0.0001252700000000, -0.0009560400000000, -0.0003686300000000 ] - [ 0.0004298100000000, -0.0006297400000000, -0.0001298500000000 ] - [ -0.0012107100000000, 0.0014303300000000, 0.0001782100000000 ] - [ 0.0003695900000000, 0.0006546800000000, -0.0001346800000000 ] - [ -0.0004544700000000, -0.0006063700000000, -0.0001273600000000 ] - [ -0.0000044000000000, -0.0010620800000000, 0.0014634500000000 ] - [ -0.0003494300000000, 0.0007127200000000, -0.0001674100000000 ] - [ 0.0039830800000000, 0.0001272800000000, -0.0355578000000000 ] - [ -0.0006734600000000, -0.0007384000000000, -0.0000970000000000 ] - [ 0.0004096300000000, -0.0006870800000000, -0.0001338000000000 ] - [ -0.0007008600000000, -0.0000891100000000, -0.0000214400000000 ] - [ 0.0004617100000000, 0.0005882300000000, -0.0001212600000000 ] - [ -0.0069326400000000, 0.0195112600000000, -0.0057102100000000 ] - [ -0.0105903300000000, -0.0066490100000000, 0.0662970900000000 ] - [ 0.0008078900000000, 0.0002604700000000, 0.0002129500000000 ] - [ 0.0008017400000000, -0.0077391200000000, 0.0023795700000000 ] - [ 0.0009537600000000, 0.0015337800000000, -0.0012717100000000 ] - [ 0.0101510800000000, -0.0143151600000000, -0.0201911200000000 ] - [ -0.0000010500000000, -0.0004651200000000, 0.0004606000000000 ] - [ 0.0003028800000000, -0.0000748200000000, 0.0009097700000000 ] - [ 0.0005895400000000, -0.0002221900000000, -0.0004194800000000 ] - [ 0.0002289800000000, 0.0006318800000000, -0.0004917200000000 ] - [ 0.0001745600000000, -0.0002786800000000, -0.0001704700000000 ] - [ 0.0001078600000000, -0.0000334500000000, 0.0001248100000000 ] - [ 0.0001925500000000, 0.0001346200000000, 0.0009798900000000 ] - [ -0.0003697200000000, 0.0000054200000000, -0.0000139300000000 ] - [ 0.0008208000000000, -0.0002517900000000, 0.0002004000000000 ] - [ -0.0012962600000000, 0.0003633900000000, -0.0005759000000000 ] - [ 0.0001060400000000, 0.0001929500000000, 0.0008966600000000 ] - [ -0.0003485400000000, 0.0000532700000000, -0.0001590900000000 ] - [ 0.0003732600000000, 0.0000362200000000, -0.0002526100000000 ] - [ 0.0003350700000000, 0.0000550300000000, 0.0008907900000000 ] - [ 0.0005929600000000, 0.0002258800000000, -0.0004107400000000 ] - [ -0.0006876700000000, -0.0002313500000000, 0.0001798400000000 ] - [ 0.0001269200000000, 0.0003157700000000, -0.0000890500000000 ] - [ 0.0001264100000000, 0.0000295000000000, 0.0001496800000000 ] - [ -0.0001237500000000, -0.0000267900000000, 0.0001481600000000 ] - [ -0.0001291900000000, -0.0003024500000000, -0.0000899600000000 ] - [ 0.0000898100000000, 0.0007764900000000, -0.0002696900000000 ] - [ -0.0005894200000000, -0.0002302500000000, -0.0004042800000000 ] - [ -0.0003510100000000, -0.0000494200000000, 0.0009204500000000 ] - [ -0.0003687800000000, -0.0000254900000000, -0.0002516700000000 ] - [ 0.0002887800000000, -0.0000602100000000, -0.0002949800000000 ] - [ -0.0017468600000000, 0.0012418500000000, -0.0008459500000000 ] - [ 0.0013308100000000, -0.0014073500000000, 0.0004115900000000 ] - [ -0.0008178000000000, 0.0002559900000000, 0.0001846200000000 ] - [ 0.0000723300000000, -0.0006163400000000, -0.0001698200000000 ] - [ 0.0000472900000000, -0.0001696200000000, -0.0002928300000000 ] - [ -0.0001048500000000, 0.0000356000000000, 0.0001450300000000 ] - [ -0.0001193900000000, 0.0002976400000000, -0.0000909700000000 ] - [ 0.0009518100000000, -0.0003585200000000, 0.0001793600000000 ] - [ -0.0005530300000000, 0.0002299500000000, -0.0004041200000000 ] - [ -0.0002916900000000, 0.0000958500000000, 0.0009030600000000 ] - [ -0.0003495800000000, 0.0000160700000000, -0.0002478700000000 ] - [ 0.0003784200000000, 0.0001105200000000, -0.0001918300000000 ] - [ 0.0003359300000000, 0.0000599100000000, 0.0009129900000000 ] - [ 0.0007476900000000, 0.0002087700000000, -0.0004585000000000 ] - [ -0.0007894600000000, -0.0002634300000000, 0.0001843000000000 ] - [ 0.0001949300000000, 0.0003475700000000, -0.0001110800000000 ] - [ 0.0002010300000000, 0.0000484700000000, 0.0001454900000000 ] - [ -0.0000444700000000, -0.0000549300000000, 0.0001307700000000 ] - [ -0.0001080100000000, -0.0003718500000000, -0.0001685500000000 ] - [ 0.0008112200000000, 0.0002568700000000, 0.0001827200000000 ] - [ -0.0007128500000000, -0.0001806800000000, -0.0005047900000000 ] - [ -0.0002652300000000, -0.0001169300000000, 0.0009191300000000 ] - [ -0.0002474500000000, -0.0000333800000000, -0.0002267000000000 ] - [ 0.0003896000000000, -0.0000654000000000, -0.0002791800000000 ] - [ 0.0003060600000000, -0.0000848100000000, 0.0009079900000000 ] - [ 0.0005584900000000, -0.0002468700000000, -0.0004096000000000 ] - [ -0.0006885300000000, 0.0001846200000000, 0.0002182900000000 ] - [ 0.0001010300000000, -0.0003915500000000, -0.0000744700000000 ] - [ 0.0001070300000000, -0.0000574000000000, 0.0001469500000000 ] - [ 0.0018003500000000, -0.0000822700000000, -0.0008869700000000 ] - [ 0.0001004200000000, 0.0002662100000000, -0.0000098400000000 ] - [ 0.0007902400000000, -0.0003268900000000, 0.0001585700000000 ] - [ -0.0029608000000000, 0.0011793700000000, -0.0004350400000000 ] - [ 0.0012179800000000, 0.0007612900000000, 0.0009638200000000 ] - [ -0.0004999000000000, -0.0002186100000000, -0.0004886000000000 ] - [ 0.0003418500000000, 0.0000520800000000, -0.0002720900000000 ] - [ 0.0001799700000000, -0.0008483800000000, 0.0015095600000000 ] - [ 0.0003815000000000, 0.0002664100000000, -0.0002761300000000 ] - [ 0.0061661400000000, -0.0078084600000000, -0.0102416800000000 ] - [ 0.0000167500000000, 0.0004208800000000, -0.0001271700000000 ] - [ -0.0000276500000000, 0.0000077600000000, -0.0000299100000000 ] - [ -0.0000897200000000, -0.0000365000000000, 0.0001475700000000 ] - [ -0.0001012100000000, -0.0003284100000000, -0.0000919900000000 ] - [ 0.0009000200000000, 0.0002883800000000, 0.0001989800000000 ] - [ -0.0005346400000000, -0.0002187300000000, -0.0004036100000000 ] - [ -0.0002664500000000, -0.0000803800000000, 0.0009015500000000 ] - [ -0.0003552200000000, -0.0000397300000000, -0.0002550900000000 ] - [ 0.0004006000000000, -0.0000001900000000, -0.0002273500000000 ] - [ 0.0003204200000000, -0.0000801700000000, 0.0008448700000000 ] - [ 0.0007331500000000, -0.0001234700000000, -0.0004825000000000 ] - [ -0.0007902100000000, 0.0002782600000000, 0.0001831500000000 ] - [ 0.0002307200000000, -0.0001578000000000, -0.0000756000000000 ] - [ 0.0001964100000000, 0.0000595200000000, 0.0002394100000000 ] - [ -0.0001139200000000, 0.0000508900000000, 0.0001564200000000 ] - [ -0.0001007700000000, 0.0003699900000000, -0.0000909900000000 ] - [ 0.0007676500000000, -0.0002520000000000, 0.0001588500000000 ] - [ -0.0005783700000000, 0.0002514600000000, -0.0004117600000000 ] - [ -0.0003164300000000, 0.0000897900000000, 0.0009098500000000 ] - [ -0.0003596300000000, 0.0000727900000000, -0.0002591400000000 ] - [ -0.0002621300000000, -0.0008855200000000, -0.0017498900000000 ] - [ 0.0002938400000000, 0.0001479000000000, 0.0008991700000000 ] - [ 0.0004615900000000, 0.0003029800000000, -0.0004059800000000 ] - [ -0.0008124700000000, -0.0002520700000000, 0.0001827000000000 ] - [ -0.0000775800000000, 0.0008853800000000, 0.0007710500000000 ] - [ 0.0000668700000000, 0.0001590100000000, 0.0002155200000000 ]- atom: 123 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007998900000000, 0.0024440500000000, -0.0003887800000000 ] - [ -0.0001915400000000, 0.0000469700000000, -0.0004772100000000 ] - [ 0.0001659400000000, -0.0004360700000000, -0.0005599700000000 ] - [ -0.0018868200000000, -0.0004921500000000, -0.0004476400000000 ] - [ -0.0015214300000000, -0.0009314300000000, -0.0006129100000000 ] - [ 0.0001893000000000, -0.0002203700000000, -0.0004250600000000 ] - [ -0.0001583400000000, 0.0002147500000000, -0.0003973100000000 ] - [ 0.0085518000000000, -0.0014068700000000, -0.0008700600000000 ] - [ 0.0775579300000000, 0.0568722900000000, -0.0781066500000000 ] - [ 0.0004006300000000, 0.0000846200000000, -0.0000015700000000 ] - [ 0.0001124800000000, 0.0000323800000000, 0.0002211700000000 ] - [ 0.0002917900000000, -0.0004840000000000, -0.0009138900000000 ] - [ 0.3265043200000000, -0.0184701400000000, 0.0662641200000000 ] - [ 0.0014083600000000, -0.0016152100000000, 0.0000039800000000 ] - [ 0.0007397200000000, 0.0002392000000000, -0.0001266700000000 ] - [ 0.0007415000000000, -0.0000805300000000, -0.0000578600000000 ] - [ 0.0000502300000000, -0.0008510100000000, -0.0004977600000000 ] - [ 0.0004066700000000, 0.0015934600000000, 0.0008780000000000 ] - [ -0.0000103900000000, -0.0020389200000000, 0.0014341900000000 ] - [ -0.0003025100000000, -0.0000701600000000, 0.0000872600000000 ] - [ -0.0007861200000000, 0.0016528300000000, 0.0032741300000000 ] - [ 0.0001806400000000, -0.0002584200000000, -0.0001557800000000 ] - [ 0.0001019100000000, 0.0002248400000000, 0.0000626100000000 ] - [ -0.0000169300000000, 0.0002967400000000, -0.0006294700000000 ] - [ -0.0021813400000000, 0.0003195200000000, -0.0002547000000000 ] - [ 0.0000900300000000, 0.0005990400000000, 0.0002554300000000 ] - [ -0.0003283500000000, 0.0002937300000000, 0.0002938500000000 ] - [ 0.0001961700000000, 0.0001164400000000, -0.0000523800000000 ] - [ -0.0001638700000000, 0.0005738600000000, -0.0008191000000000 ] - [ -0.0006402200000000, -0.0001674200000000, 0.0002327200000000 ] - [ -0.0004683600000000, -0.0001342600000000, -0.0001123800000000 ] - [ -0.0004050600000000, 0.0001764500000000, 0.0000282700000000 ] - [ 0.0003603500000000, -0.0001430200000000, 0.0000448300000000 ] - [ 0.0003012900000000, 0.0004017200000000, -0.0002497800000000 ] - [ 0.0007799800000000, 0.0001506500000000, -0.0001182500000000 ] - [ 0.0000431400000000, -0.0002267100000000, -0.0005318400000000 ] - [ -0.0001502000000000, -0.0000419400000000, -0.0000375000000000 ] - [ 0.0003529600000000, -0.0002920700000000, 0.0002961300000000 ] - [ -0.0001933100000000, -0.0002097000000000, 0.0002306300000000 ] - [ 0.0008063300000000, -0.0001162500000000, -0.0001335700000000 ] - [ 0.0000446700000000, -0.0002631200000000, -0.0005650300000000 ] - [ 0.0000148700000000, 0.0000789200000000, 0.0003430400000000 ] - [ -0.0001717700000000, 0.0003104800000000, -0.0001915500000000 ] - [ -0.0001480400000000, -0.0003674300000000, 0.0003309400000000 ] - [ 0.0003567300000000, 0.0001235400000000, 0.0000385800000000 ] - [ 0.0005032600000000, -0.0008226100000000, -0.0005112700000000 ] - [ -0.0000745300000000, -0.0002942600000000, 0.0005605100000000 ] - [ -0.0002282900000000, -0.0006173900000000, -0.0000613000000000 ] - [ -0.0002671900000000, 0.0000215900000000, -0.0000515600000000 ] - [ 0.0002333100000000, 0.0001260800000000, 0.0002297900000000 ] - [ -0.0004344200000000, -0.0002355400000000, 0.0002237300000000 ] - [ -0.0000637100000000, -0.0001703500000000, -0.0000408500000000 ] - [ -0.0000076100000000, 0.0001713800000000, -0.0005078400000000 ] - [ -0.0000339000000000, -0.0001097200000000, 0.0003361700000000 ] - [ -0.0002393300000000, -0.0003789900000000, -0.0002424000000000 ] - [ -0.0005107800000000, 0.0000179600000000, -0.0001416600000000 ] - [ -0.0001294500000000, -0.0003223800000000, 0.0004723100000000 ] - [ 0.0000458300000000, 0.0003969500000000, -0.0002164300000000 ] - [ -0.0000605800000000, 0.0001485600000000, 0.0004143600000000 ] - [ -0.0001503800000000, -0.0002128600000000, -0.0004885700000000 ] - [ -0.0016275400000000, -0.0001331200000000, -0.0002270300000000 ] - [ -0.0001526700000000, 0.0001154700000000, 0.0000724800000000 ] - [ -0.0005706200000000, -0.0004185700000000, 0.0003683300000000 ] - [ -0.0001445500000000, 0.0000063000000000, -0.0000051900000000 ] - [ -0.0002535500000000, -0.0000493700000000, -0.0003245400000000 ] - [ -0.0004679600000000, -0.0001278400000000, 0.0000048700000000 ] - [ -0.0006096000000000, 0.0006254600000000, -0.0003869500000000 ] - [ -0.0004039500000000, -0.0002141400000000, 0.0000332800000000 ] - [ -0.0002022600000000, 0.0004591700000000, 0.0005742700000000 ] - [ 0.0002015900000000, -0.0004150300000000, -0.0002546600000000 ] - [ -0.0003238300000000, -0.0005040400000000, 0.0008749200000000 ] - [ -0.0000289900000000, 0.0001633200000000, -0.0004883400000000 ] - [ -0.0021266000000000, -0.0003571500000000, 0.0000956800000000 ] - [ -0.0006021000000000, -0.0014401500000000, -0.0003995400000000 ] - [ -0.0002666200000000, 0.0001488200000000, 0.0002412300000000 ] - [ 0.0002257200000000, -0.0000866500000000, -0.0000186500000000 ] - [ -0.0000877700000000, -0.0013558000000000, 0.0006130600000000 ] - [ -0.0007701500000000, 0.0010340600000000, 0.0001268600000000 ] - [ -0.0004174600000000, -0.0016121600000000, -0.0009540500000000 ] - [ -0.0002687800000000, 0.0000616800000000, 0.0000790700000000 ] - [ 0.0003014300000000, -0.0001685700000000, 0.0001028000000000 ] - [ 0.0000955200000000, 0.0002415100000000, -0.0001392900000000 ] - [ -0.0002532400000000, 0.0001491500000000, 0.0004757900000000 ] - [ -0.0000753500000000, -0.0002912500000000, -0.0006336500000000 ] - [ -0.0003241000000000, -0.0000556800000000, -0.0000522700000000 ] - [ 0.0002682900000000, -0.0002434900000000, 0.0002661500000000 ] - [ -0.0003984900000000, -0.0003030700000000, 0.0003160300000000 ] - [ -0.0001857100000000, -0.0000194900000000, 0.0000075000000000 ] - [ 0.0000032800000000, -0.0002771200000000, -0.0006274600000000 ] - [ -0.0000515100000000, 0.0001119600000000, 0.0003190000000000 ] - [ -0.0001945600000000, 0.0002886000000000, -0.0001714000000000 ] - [ -0.0004977300000000, 0.0000224200000000, -0.0001320200000000 ] - [ 0.0003222200000000, 0.0001395500000000, 0.0000726900000000 ] - [ -0.0001576400000000, 0.0001199700000000, 0.0000327700000000 ] - [ 0.0000429800000000, -0.0000050100000000, 0.0002501600000000 ] - [ -0.0000851900000000, 0.0007197000000000, -0.0010011300000000 ] - [ -0.0002095100000000, 0.0000406300000000, -0.0000388000000000 ] - [ 0.0003466500000000, 0.0003027400000000, 0.0002970200000000 ] - [ -0.0008073500000000, 0.0015266000000000, 0.0004680400000000 ] - [ 0.0001604500000000, 0.0002087700000000, -0.0000515500000000 ] - [ 0.0000428200000000, 0.0002792900000000, -0.0006059300000000 ] - [ 0.0000218500000000, -0.0001558200000000, 0.0003901900000000 ] - [ -0.0001475400000000, -0.0003034400000000, -0.0001733600000000 ] - [ -0.0000325600000000, 0.0003178800000000, 0.0003903000000000 ] - [ 0.0155897400000000, 0.0016918200000000, -0.0023168800000000 ] - [ 0.0010227800000000, 0.0000521900000000, -0.0000492700000000 ] - [ 0.0001272700000000, 0.0052090600000000, -0.0161365200000000 ] - [ -0.0002894900000000, 0.0012887700000000, -0.0002246700000000 ] - [ -0.0001898700000000, -0.0007218100000000, -0.0001491100000000 ] - [ 0.0008837700000000, -0.0034924800000000, -0.0003804000000000 ] - [ -0.0003334000000000, 0.0005052000000000, -0.0001262500000000 ] - [ -0.0005565300000000, -0.0001128900000000, -0.0001256000000000 ] - [ -0.0039690100000000, -0.0006883100000000, 0.0000434800000000 ] - [ -0.0001305300000000, -0.0013505300000000, -0.0001932000000000 ] - [ -0.0053203500000000, 0.0015266300000000, -0.0004197000000000 ] - [ 0.0014828500000000, -0.0006679300000000, 0.0001284500000000 ] - [ -0.0006527900000000, -0.0007699200000000, -0.0001288600000000 ] - [ -0.0008575100000000, 0.0004141100000000, -0.0001820500000000 ] - [ -0.0004941000000000, 0.0005642600000000, -0.0001165500000000 ] - [ 0.0011859000000000, 0.0018188700000000, -0.0002563900000000 ] - [ -0.0005203000000000, 0.0002487100000000, 0.0000835900000000 ] - [ -0.0004655200000000, 0.0000278600000000, -0.0000977000000000 ] - [ -0.4587270000000000, -0.0495018900000000, 0.0207060400000000 ] - [ -0.0014473800000000, -0.0003571900000000, -0.0002097300000000 ] - [ -0.0018009000000000, 0.0008577500000000, 0.0007756700000000 ] - [ -0.0005176400000000, 0.0000323900000000, -0.0001968700000000 ] - [ -0.0008765100000000, -0.0028997200000000, -0.0007572100000000 ] - [ 0.0010683200000000, 0.0050060400000000, -0.0007947700000000 ] - [ -0.0042202500000000, 0.0005660600000000, 0.0021001100000000 ] - [ -0.0012823400000000, -0.0000344800000000, 0.0001252000000000 ] - [ -0.0012380700000000, -0.0038443900000000, 0.0009474900000000 ] - [ 0.0386070800000000, 0.0017079800000000, 0.0177161300000000 ] - [ -0.0001491100000000, -0.0001546300000000, 0.0000332500000000 ] - [ -0.0004385800000000, -0.0004956900000000, -0.0000581400000000 ] - [ 0.0023699900000000, -0.0024300500000000, 0.0000480600000000 ] - [ -0.0005202000000000, 0.0000335000000000, -0.0003432400000000 ] - [ -0.0002894600000000, 0.0000116200000000, 0.0009177100000000 ] - [ -0.0001652800000000, -0.0006380800000000, -0.0000447100000000 ] - [ 0.0013191600000000, 0.0006501000000000, -0.0003024200000000 ] - [ 0.0008377700000000, -0.0007122600000000, 0.0009973800000000 ] - [ 0.0024634200000000, -0.0002251200000000, -0.0005797200000000 ] - [ -0.0006842800000000, -0.0003717200000000, 0.0002046300000000 ] - [ 0.0016412500000000, 0.0002396700000000, 0.0000246800000000 ] - [ 0.0015793900000000, -0.0001098200000000, 0.0001465700000000 ] - [ -0.0006129000000000, -0.0002706400000000, 0.0002070100000000 ] - [ -0.0007678600000000, -0.0010853100000000, 0.0006271200000000 ] - [ 0.0007064000000000, 0.0002910800000000, 0.0001819500000000 ] - [ -0.0013904200000000, -0.0003817500000000, -0.0006698300000000 ] - [ -0.0004970900000000, -0.0000652200000000, 0.0009127300000000 ] - [ -0.0026833200000000, 0.0010987400000000, 0.0000604100000000 ] - [ 0.0002193300000000, 0.0000066600000000, -0.0002072200000000 ] - [ 0.0001828700000000, -0.0001586900000000, 0.0008856200000000 ] - [ 0.0004327400000000, -0.0001781400000000, -0.0003849900000000 ] - [ -0.0012823400000000, 0.0006158800000000, 0.0002986300000000 ] - [ 0.0000875300000000, -0.0001859400000000, -0.0001063800000000 ] - [ 0.0000404900000000, -0.0000058700000000, 0.0001306800000000 ] - [ -0.0002204700000000, 0.0008011000000000, 0.0001677500000000 ] - [ 0.0001539300000000, 0.0012789200000000, -0.0000752000000000 ] - [ 0.0008025800000000, -0.0001839100000000, 0.0001869100000000 ] - [ -0.0005617700000000, 0.0012773200000000, -0.0005809000000000 ] - [ 0.0002869300000000, 0.0016180300000000, 0.0013342100000000 ] - [ -0.0002634600000000, 0.0002769800000000, -0.0003724900000000 ] - [ 0.0004125200000000, 0.0000026100000000, -0.0002635900000000 ] - [ 0.0003942300000000, 0.0002359400000000, 0.0009117500000000 ] - [ 0.0006823500000000, 0.0003648100000000, -0.0004332000000000 ] - [ -0.0003443400000000, 0.0000957900000000, 0.0001740400000000 ] - [ 0.0001585000000000, 0.0003707100000000, -0.0000779500000000 ] - [ 0.0001892400000000, 0.0000966100000000, 0.0001662100000000 ] - [ 0.0002183100000000, -0.0001679300000000, 0.0001358100000000 ] - [ 0.0001180200000000, -0.0004892600000000, -0.0000987100000000 ] - [ 0.0021906700000000, 0.0004573700000000, 0.0003210100000000 ] - [ -0.0000515900000000, -0.0002362300000000, -0.0003882900000000 ] - [ 0.0003709800000000, -0.0004315900000000, 0.0008557000000000 ] - [ -0.0002358800000000, -0.0000332300000000, -0.0002855000000000 ] - [ 0.0011546500000000, 0.0001950200000000, -0.0001353900000000 ] - [ 0.0010699000000000, -0.0003718600000000, 0.0008299400000000 ] - [ 0.0028123600000000, -0.0005723400000000, -0.0008841000000000 ] - [ -0.0003821700000000, 0.0004356900000000, 0.0001722000000000 ] - [ 0.0012480800000000, -0.0000263500000000, 0.0000232200000000 ] - [ 0.0016169600000000, -0.0002715400000000, 0.0002562100000000 ] - [ -0.0000366000000000, 0.0002581000000000, 0.0002439200000000 ] - [ 0.0003592100000000, 0.0010487600000000, -0.0002369700000000 ] - [ 0.0023778900000000, -0.0001598300000000, 0.0002507800000000 ] - [ -0.0005675100000000, 0.0004621000000000, -0.0004515800000000 ] - [ -0.0002988900000000, 0.0002501700000000, 0.0008887000000000 ] - [ 0.0005535500000000, 0.0014833400000000, -0.0000643000000000 ] - [ 0.0024842300000000, -0.0036006200000000, -0.0006105400000000 ] - [ 0.0004383100000000, 0.0020392000000000, 0.0005829400000000 ] - [ 0.0026424400000000, 0.0040490400000000, 0.0019150100000000 ] - [ -0.0009142100000000, -0.0000533900000000, 0.0001369800000000 ] - [ -0.0011805600000000, -0.0026751500000000, 0.0069663300000000 ] - [ -0.0005839000000000, 0.0094232400000000, -0.0228910200000000 ] - [ 0.0003007300000000, 0.0001025400000000, 0.0001330000000000 ] - [ 0.0002877200000000, -0.0000850800000000, -0.0001888100000000 ] - [ 0.0009012200000000, 0.0002978500000000, 0.0001886900000000 ] - [ 0.0001005000000000, -0.0001176500000000, -0.0002249800000000 ] - [ -0.0001475100000000, -0.0000415200000000, 0.0009136100000000 ] - [ 0.0004248400000000, -0.0002187500000000, -0.0001464000000000 ] - [ 0.0004955500000000, -0.0000173700000000, -0.0002779100000000 ] - [ 0.0004155600000000, 0.0000733800000000, 0.0009352800000000 ] - [ 0.0006610200000000, -0.0001953700000000, -0.0004099700000000 ] - [ -0.0003824000000000, 0.0000514400000000, 0.0001496700000000 ] - [ 0.0001682700000000, -0.0003379100000000, -0.0000775000000000 ] - [ 0.0001600700000000, -0.0000079800000000, 0.0001480100000000 ] - [ 0.0003080800000000, -0.0004109800000000, 0.0000377600000000 ] - [ -0.0000735600000000, -0.0002159800000000, -0.0001098800000000 ] - [ 0.0008023000000000, -0.0002790300000000, 0.0001802700000000 ] - [ 0.0001854500000000, -0.0010073600000000, -0.0004423400000000 ] - [ 0.0003074800000000, -0.0006724700000000, 0.0011798900000000 ] - [ -0.0003937400000000, -0.0001219600000000, -0.0001951700000000 ] - [ 0.0003059900000000, 0.0001457100000000, -0.0002636400000000 ] - [ 0.0002344300000000, -0.0000008900000000, 0.0009041200000000 ] - [ 0.0004783700000000, 0.0001915500000000, -0.0003940100000000 ] - [ -0.0008887700000000, -0.0011800000000000, 0.0001481100000000 ] - [ 0.0000373200000000, 0.0004107700000000, -0.0001003800000000 ] - [ 0.0000442800000000, 0.0000412100000000, 0.0001516300000000 ]- atom: 123 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008003700000000, -0.0024416900000000, -0.0005187600000000 ] - [ 0.0001912900000000, -0.0000490600000000, -0.0004357300000000 ] - [ -0.0001667800000000, 0.0004321500000000, -0.0003532700000000 ] - [ 0.0018879400000000, 0.0004969500000000, -0.0004643100000000 ] - [ 0.0015163400000000, 0.0009309200000000, -0.0003015400000000 ] - [ -0.0001891800000000, 0.0002168800000000, -0.0004874300000000 ] - [ 0.0001588100000000, -0.0002162100000000, -0.0005153700000000 ] - [ -0.0084535500000000, 0.0013972600000000, -0.0000152500000000 ] - [ -0.0754077600000000, -0.0583902500000000, 0.0801280900000000 ] - [ -0.0000239200000000, 0.0005559500000000, -0.0003854500000000 ] - [ -0.0000867800000000, 0.0001956000000000, 0.0004709000000000 ] - [ -0.0003344600000000, -0.0000151700000000, -0.0002395300000000 ] - [ -0.3010838300000000, 0.0178326800000000, -0.0604855800000000 ] - [ -0.0008102900000000, 0.0011303300000000, 0.0005283900000000 ] - [ -0.0013382300000000, -0.0007235600000000, 0.0006706200000000 ] - [ -0.0002647000000000, 0.0000003200000000, -0.0000319400000000 ] - [ -0.0000214500000000, 0.0003552900000000, -0.0006175000000000 ] - [ -0.0004401400000000, -0.0013594500000000, -0.0001947800000000 ] - [ -0.0004199000000000, 0.0026924300000000, -0.0018520600000000 ] - [ -0.0003665100000000, -0.0002181500000000, 0.0000437100000000 ] - [ 0.0014461000000000, -0.0013765000000000, -0.0031689900000000 ] - [ 0.0001982200000000, -0.0003837900000000, -0.0002352700000000 ] - [ -0.0000766100000000, -0.0004537200000000, 0.0006299900000000 ] - [ -0.0000269200000000, 0.0001980300000000, -0.0005194300000000 ] - [ 0.0017069400000000, -0.0002406200000000, 0.0001642800000000 ] - [ 0.0005115700000000, -0.0001163700000000, 0.0002886600000000 ] - [ -0.0002729300000000, 0.0001890200000000, 0.0002502500000000 ] - [ 0.0002797800000000, -0.0000371000000000, -0.0000378100000000 ] - [ 0.0002079500000000, -0.0000789500000000, -0.0003301800000000 ] - [ 0.0006152400000000, -0.0000592600000000, 0.0004574000000000 ] - [ 0.0000898400000000, -0.0005074200000000, -0.0002782900000000 ] - [ -0.0002645100000000, 0.0001113500000000, 0.0001016900000000 ] - [ 0.0003090100000000, -0.0001452800000000, 0.0000856100000000 ] - [ 0.0000780900000000, 0.0002400200000000, -0.0001411200000000 ] - [ -0.0007525200000000, 0.0000775700000000, 0.0008088600000000 ] - [ -0.0000867200000000, -0.0002687800000000, -0.0006176100000000 ] - [ -0.0003256200000000, -0.0000379100000000, -0.0000525500000000 ] - [ 0.0002490700000000, -0.0001924500000000, 0.0002487000000000 ] - [ -0.0004080200000000, -0.0002738900000000, 0.0003135800000000 ] - [ -0.0003281000000000, 0.0000361300000000, 0.0000428200000000 ] - [ -0.0000007400000000, -0.0002329100000000, -0.0005852000000000 ] - [ -0.0000410500000000, 0.0001487200000000, 0.0003481800000000 ] - [ -0.0002068900000000, 0.0003305900000000, -0.0001987800000000 ] - [ -0.0005213200000000, 0.0000796000000000, -0.0002002200000000 ] - [ 0.0003130200000000, 0.0001638600000000, 0.0000909000000000 ] - [ -0.0001279800000000, 0.0001836200000000, 0.0001240500000000 ] - [ 0.0000995500000000, 0.0000647400000000, 0.0001332300000000 ] - [ 0.0001838200000000, 0.0011169700000000, -0.0010922700000000 ] - [ -0.0002092700000000, 0.0000577500000000, -0.0000386300000000 ] - [ 0.0003670800000000, 0.0003550600000000, 0.0003135300000000 ] - [ -0.0001701800000000, 0.0007214600000000, 0.0003210000000000 ] - [ 0.0005369200000000, 0.0002502300000000, -0.0000488700000000 ] - [ 0.0000512800000000, 0.0003227300000000, -0.0006403000000000 ] - [ 0.0000088900000000, -0.0001196600000000, 0.0003574500000000 ] - [ -0.0001399800000000, -0.0002636400000000, -0.0001492300000000 ] - [ -0.0001592700000000, 0.0002693200000000, 0.0002707500000000 ] - [ 0.0007996600000000, 0.0000352700000000, -0.0003432100000000 ] - [ 0.0003327000000000, 0.0002443700000000, -0.0001740500000000 ] - [ 0.0000860200000000, 0.0000798200000000, 0.0002782100000000 ] - [ 0.0001064200000000, -0.0002825400000000, -0.0006611000000000 ] - [ 0.0011524600000000, 0.0000541900000000, 0.0001368800000000 ] - [ 0.0007538000000000, -0.0005969600000000, 0.0004711700000000 ] - [ -0.0000309400000000, -0.0000647500000000, 0.0001759000000000 ] - [ 0.0006201400000000, -0.0000858600000000, -0.0000850000000000 ] - [ 0.0002976600000000, -0.0004441900000000, -0.0008230800000000 ] - [ 0.0004426700000000, 0.0003572400000000, 0.0006889100000000 ] - [ 0.0002304200000000, 0.0000179700000000, -0.0000051600000000 ] - [ -0.0002656700000000, -0.0000740100000000, 0.0000967300000000 ] - [ 0.0008698600000000, -0.0001690100000000, -0.0004412000000000 ] - [ 0.0001769400000000, -0.0002270200000000, -0.0001362800000000 ] - [ 0.0003485900000000, 0.0002747900000000, -0.0001807700000000 ] - [ -0.0000150600000000, 0.0003315700000000, -0.0006607800000000 ] - [ 0.0016168900000000, 0.0004458600000000, -0.0002020500000000 ] - [ 0.0012023400000000, 0.0019271600000000, 0.0009516300000000 ] - [ -0.0003348200000000, 0.0003338200000000, 0.0003029500000000 ] - [ 0.0002491700000000, 0.0001657000000000, -0.0000712600000000 ] - [ 0.0001333900000000, 0.0018523400000000, -0.0017605700000000 ] - [ 0.0007377800000000, -0.0012489100000000, 0.0005394100000000 ] - [ 0.0000312400000000, 0.0009546700000000, 0.0005439200000000 ] - [ -0.0004010200000000, 0.0002255400000000, 0.0000506700000000 ] - [ 0.0003679800000000, -0.0001195000000000, 0.0000274700000000 ] - [ 0.0002835700000000, 0.0004003500000000, -0.0002516700000000 ] - [ 0.0002787500000000, 0.0000801600000000, 0.0002170400000000 ] - [ 0.0000315300000000, -0.0002040400000000, -0.0005156200000000 ] - [ -0.0001518700000000, -0.0000240100000000, -0.0000378200000000 ] - [ 0.0003336400000000, -0.0002409700000000, 0.0002787600000000 ] - [ -0.0002028300000000, -0.0001799800000000, 0.0002280700000000 ] - [ 0.0006623400000000, -0.0000598800000000, -0.0000978400000000 ] - [ 0.0000406400000000, -0.0002192900000000, -0.0005233800000000 ] - [ 0.0000254500000000, 0.0001159800000000, 0.0003723600000000 ] - [ -0.0001839000000000, 0.0003521500000000, -0.0002186700000000 ] - [ -0.0001717400000000, -0.0003100800000000, 0.0002617400000000 ] - [ 0.0003475600000000, 0.0001478800000000, 0.0000566900000000 ] - [ 0.0005374600000000, -0.0007621800000000, -0.0004235400000000 ] - [ -0.0000171400000000, -0.0002235500000000, 0.0004420000000000 ] - [ 0.0000404300000000, -0.0002237600000000, -0.0001479600000000 ] - [ -0.0002666100000000, 0.0000386300000000, -0.0000513900000000 ] - [ 0.0002544500000000, 0.0001792400000000, 0.0002466300000000 ] - [ 0.0002064600000000, -0.0010440100000000, 0.0000816700000000 ] - [ 0.0003163200000000, -0.0001297000000000, -0.0000387100000000 ] - [ 0.0000011100000000, 0.0002151100000000, -0.0005422500000000 ] - [ -0.0000467900000000, -0.0000738700000000, 0.0003036400000000 ] - [ -0.0002315200000000, -0.0003391200000000, -0.0002180900000000 ] - [ -0.0006354100000000, -0.0000308400000000, -0.0002592400000000 ] - [ -0.0163488600000000, -0.0029194000000000, 0.0022649500000000 ] - [ -0.0001816900000000, -0.0013452300000000, -0.0002169000000000 ] - [ -0.0009763200000000, -0.0039336900000000, 0.0159818400000000 ] - [ 0.0011288800000000, -0.0000023900000000, -0.0000406600000000 ] - [ -0.0006492200000000, -0.0005704900000000, -0.0001171900000000 ] - [ -0.0000610200000000, 0.0021708800000000, 0.0001109300000000 ] - [ -0.0005064500000000, 0.0007800800000000, -0.0001387500000000 ] - [ 0.0013917000000000, 0.0014012300000000, -0.0001407900000000 ] - [ 0.0031358600000000, -0.0005989200000000, -0.0003096800000000 ] - [ 0.0009687300000000, 0.0000577400000000, -0.0000727700000000 ] - [ 0.0044994100000000, -0.0002256700000000, 0.0001606000000000 ] - [ -0.0006430900000000, 0.0019486400000000, -0.0003930100000000 ] - [ -0.0001863900000000, -0.0005204300000000, -0.0001370200000000 ] - [ 0.0016987000000000, -0.0017029100000000, -0.0000825700000000 ] - [ -0.0003453200000000, 0.0007215700000000, -0.0001480100000000 ] - [ -0.0003441700000000, -0.0005329600000000, -0.0000097600000000 ] - [ 0.0003060400000000, -0.0003243400000000, 0.0002106800000000 ] - [ 0.0002391500000000, -0.0006927000000000, -0.0000831800000000 ] - [ 0.4325263600000000, 0.0516508900000000, -0.0280154000000000 ] - [ 0.0003194500000000, -0.0001028600000000, -0.0006047400000000 ] - [ 0.0011967800000000, -0.0010323900000000, 0.0010357100000000 ] - [ -0.0002146000000000, -0.0001141000000000, -0.0003102200000000 ] - [ 0.0016090000000000, 0.0027990900000000, 0.0002540200000000 ] - [ -0.0003815400000000, -0.0050871400000000, 0.0025776400000000 ] - [ 0.0053575000000000, -0.0010503600000000, -0.0029450100000000 ] - [ -0.0003270900000000, 0.0005688100000000, 0.0002545300000000 ] - [ 0.0014659400000000, 0.0031790500000000, -0.0011280700000000 ] - [ -0.0382174400000000, -0.0017525800000000, -0.0174353800000000 ] - [ -0.0000661900000000, 0.0002338300000000, 0.0002617400000000 ] - [ 0.0002123600000000, 0.0011650900000000, -0.0001218300000000 ] - [ -0.0007567200000000, 0.0019021800000000, 0.0003386700000000 ] - [ -0.0006058900000000, 0.0004292800000000, -0.0004735600000000 ] - [ -0.0003122700000000, 0.0001751700000000, 0.0008968500000000 ] - [ -0.0005659200000000, 0.0007218600000000, -0.0004626500000000 ] - [ -0.0005860400000000, -0.0005720000000000, -0.0002033900000000 ] - [ -0.0002370600000000, 0.0008982100000000, 0.0008175200000000 ] - [ -0.0013411600000000, 0.0006853400000000, -0.0002355500000000 ] - [ -0.0009243700000000, -0.0001611600000000, 0.0001754100000000 ] - [ -0.0014181800000000, 0.0004256200000000, -0.0002050700000000 ] - [ -0.0013656800000000, 0.0001870800000000, 0.0001496500000000 ] - [ 0.0003970000000000, 0.0001941300000000, 0.0000879500000000 ] - [ 0.0005367400000000, 0.0004202700000000, -0.0008073800000000 ] - [ 0.0009022900000000, 0.0002441100000000, 0.0001984600000000 ] - [ 0.0002611400000000, -0.0000776800000000, -0.0001484700000000 ] - [ -0.0001052000000000, -0.0001172600000000, 0.0009033200000000 ] - [ 0.0019448700000000, -0.0011821600000000, -0.0005604600000000 ] - [ 0.0005134200000000, -0.0000890400000000, -0.0002984500000000 ] - [ 0.0004185100000000, -0.0000248700000000, 0.0009297200000000 ] - [ 0.0006920100000000, -0.0002810900000000, -0.0004316500000000 ] - [ -0.0003273200000000, -0.0000810200000000, 0.0000836000000000 ] - [ 0.0001397400000000, -0.0004766500000000, -0.0000742900000000 ] - [ 0.0001738700000000, -0.0000708300000000, 0.0001644500000000 ] - [ 0.0000117900000000, -0.0007193000000000, 0.0001218400000000 ] - [ -0.0003746700000000, -0.0006046900000000, -0.0001058500000000 ] - [ 0.0008061500000000, -0.0003479400000000, 0.0001934600000000 ] - [ -0.0005549400000000, -0.0008166400000000, -0.0002305500000000 ] - [ -0.0008875300000000, -0.0014394500000000, 0.0004806200000000 ] - [ -0.0004674300000000, -0.0001908100000000, -0.0001335700000000 ] - [ 0.0003195100000000, 0.0000820900000000, -0.0002445300000000 ] - [ 0.0002083300000000, -0.0000489300000000, 0.0009032100000000 ] - [ 0.0004457200000000, 0.0000994700000000, -0.0003843500000000 ] - [ -0.0012620000000000, -0.0006295100000000, 0.0002059400000000 ] - [ 0.0000659500000000, 0.0003007100000000, -0.0001031500000000 ] - [ 0.0000258800000000, -0.0000168900000000, 0.0001289100000000 ] - [ -0.0004325600000000, 0.0000911300000000, 0.0001592100000000 ] - [ -0.0003440100000000, -0.0001772000000000, -0.0000822300000000 ] - [ -0.0005836700000000, 0.0000736900000000, 0.0000582300000000 ] - [ -0.0010751000000000, -0.0002253000000000, -0.0004286800000000 ] - [ -0.0009726400000000, 0.0002472700000000, 0.0009595500000000 ] - [ -0.0004963000000000, -0.0000489400000000, -0.0002207100000000 ] - [ -0.0004218800000000, -0.0002795600000000, -0.0003731200000000 ] - [ -0.0004698200000000, 0.0001836000000000, 0.0009850200000000 ] - [ -0.0016882400000000, 0.0001071600000000, 0.0000661600000000 ] - [ -0.0012260700000000, 0.0000979200000000, 0.0002077600000000 ] - [ -0.0010244400000000, -0.0006465900000000, -0.0002031700000000 ] - [ -0.0014036500000000, 0.0001912300000000, 0.0000366500000000 ] - [ -0.0001771400000000, -0.0001789600000000, 0.0000519000000000 ] - [ -0.0005833700000000, -0.0003794200000000, 0.0000566600000000 ] - [ -0.0007488100000000, -0.0003796600000000, 0.0001366200000000 ] - [ -0.0005579600000000, 0.0000010000000000, -0.0003649500000000 ] - [ -0.0003029600000000, -0.0000625200000000, 0.0009257500000000 ] - [ -0.0012853300000000, -0.0014026200000000, -0.0004485000000000 ] - [ -0.0017703700000000, 0.0037062500000000, 0.0001336900000000 ] - [ 0.0001681900000000, -0.0018433000000000, 0.0012393500000000 ] - [ -0.0015494500000000, -0.0036420600000000, -0.0028316500000000 ] - [ -0.0006933600000000, -0.0004788200000000, 0.0002437800000000 ] - [ 0.0014567800000000, 0.0033224700000000, -0.0071433300000000 ] - [ 0.0009047100000000, -0.0092823900000000, 0.0229519600000000 ] - [ -0.0005147000000000, -0.0001800600000000, 0.0001632700000000 ] - [ -0.0005126600000000, -0.0005824200000000, 0.0000080900000000 ] - [ 0.0007075900000000, 0.0002368000000000, 0.0001917700000000 ] - [ -0.0012258000000000, -0.0003434300000000, -0.0005916700000000 ] - [ -0.0004534900000000, -0.0001430600000000, 0.0009023500000000 ] - [ -0.0011561800000000, 0.0001333500000000, -0.0003610600000000 ] - [ 0.0002364600000000, -0.0000646800000000, -0.0002275900000000 ] - [ 0.0001853700000000, -0.0002572600000000, 0.0008801700000000 ] - [ 0.0004627700000000, -0.0002633100000000, -0.0004056100000000 ] - [ -0.0012270300000000, 0.0004813500000000, 0.0002297700000000 ] - [ 0.0000594400000000, -0.0003270700000000, -0.0001024700000000 ] - [ 0.0000542400000000, -0.0000689900000000, 0.0001469000000000 ] - [ -0.0005236700000000, 0.0004889900000000, 0.0002584900000000 ] - [ -0.0001537500000000, 0.0008831300000000, -0.0000703500000000 ] - [ 0.0008058700000000, -0.0002527700000000, 0.0001994000000000 ] - [ -0.0013160200000000, 0.0014719900000000, -0.0003741800000000 ] - [ -0.0009092800000000, 0.0008557300000000, 0.0006335000000000 ] - [ -0.0003386900000000, 0.0002066700000000, -0.0003114200000000 ] - [ 0.0004254400000000, -0.0000612600000000, -0.0002448200000000 ] - [ 0.0003662400000000, 0.0001880700000000, 0.0009107800000000 ] - [ 0.0006496400000000, 0.0002726300000000, -0.0004239900000000 ] - [ -0.0007202100000000, 0.0006418200000000, 0.0002290900000000 ] - [ 0.0001871800000000, 0.0002613400000000, -0.0000803700000000 ] - [ 0.0001709200000000, 0.0000385300000000, 0.0001445100000000 ]- atom: 123 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016992500000000, 0.0001588800000000, -0.0014611300000000 ] - [ -0.0000150500000000, -0.0005964700000000, -0.0004826900000000 ] - [ -0.0002294900000000, -0.0009158100000000, -0.0004530700000000 ] - [ -0.0003101000000000, 0.0007440700000000, -0.0003686100000000 ] - [ -0.0012849000000000, -0.0000758800000000, -0.0006808200000000 ] - [ -0.0000261000000000, -0.0010259400000000, -0.0004183100000000 ] - [ 0.0002622700000000, -0.0006255800000000, -0.0004136800000000 ] - [ 0.0002517800000000, 0.0109492700000000, 0.0000508900000000 ] - [ 0.0392959300000000, 0.0952122200000000, -0.1052839800000000 ] - [ -0.0000389300000000, -0.0002109400000000, -0.0001089200000000 ] - [ 0.0001480000000000, -0.0001719100000000, 0.0000545600000000 ] - [ 0.0001551300000000, -0.0008111800000000, -0.0008486700000000 ] - [ -0.0008002300000000, 0.0256955200000000, -0.0106583800000000 ] - [ -0.0016674100000000, 0.0003370000000000, -0.0019274100000000 ] - [ -0.0010179800000000, -0.0010712700000000, 0.0007283700000000 ] - [ 0.0004420300000000, -0.0002898400000000, -0.0000899500000000 ] - [ -0.0003558000000000, 0.0009372700000000, 0.0013570700000000 ] - [ 0.0018173000000000, 0.0003015300000000, 0.0019713300000000 ] - [ -0.0026589200000000, 0.0010278800000000, -0.0009068500000000 ] - [ -0.0001894500000000, -0.0003599300000000, 0.0002584200000000 ] - [ 0.0003625900000000, 0.0008501400000000, 0.0005180800000000 ] - [ 0.0002905200000000, -0.0005641100000000, -0.0003545100000000 ] - [ 0.0002437500000000, -0.0002068400000000, 0.0004282400000000 ] - [ 0.0000066600000000, 0.0000223100000000, -0.0003278900000000 ] - [ -0.0003080300000000, 0.0001121400000000, -0.0000321600000000 ] - [ 0.0005010000000000, 0.0005604400000000, 0.0004001000000000 ] - [ -0.0001907900000000, -0.0000111300000000, 0.0001778900000000 ] - [ 0.0003984600000000, -0.0000173600000000, -0.0000739400000000 ] - [ 0.0000401000000000, 0.0004505400000000, -0.0007650500000000 ] - [ -0.0002071100000000, 0.0001720900000000, 0.0000299200000000 ] - [ -0.0001461200000000, -0.0001217500000000, -0.0000922900000000 ] - [ -0.0003315500000000, 0.0001039500000000, 0.0000470900000000 ] - [ 0.0002814100000000, -0.0003037800000000, 0.0001807800000000 ] - [ 0.0000601000000000, -0.0000819800000000, 0.0000575900000000 ] - [ 0.0010698700000000, 0.0000270300000000, -0.0005942200000000 ] - [ -0.0000439700000000, -0.0006021800000000, -0.0009412100000000 ] - [ -0.0002595500000000, -0.0001588900000000, -0.0000469300000000 ] - [ 0.0004209300000000, -0.0005563800000000, 0.0003825800000000 ] - [ -0.0004665900000000, -0.0006343900000000, 0.0004103700000000 ] - [ 0.0000720200000000, -0.0003114000000000, -0.0000514900000000 ] - [ 0.0000406200000000, -0.0005104800000000, -0.0008397000000000 ] - [ -0.0001336800000000, -0.0001241600000000, 0.0001085700000000 ] - [ -0.0001049900000000, 0.0000686700000000, -0.0000303900000000 ] - [ -0.0004730100000000, -0.0002552100000000, 0.0000317600000000 ] - [ 0.0003755800000000, 0.0000057600000000, -0.0000300900000000 ] - [ -0.0001764500000000, -0.0001191100000000, 0.0000406000000000 ] - [ -0.0001493000000000, -0.0003418900000000, 0.0006143300000000 ] - [ -0.0002672500000000, 0.0004351400000000, -0.0009096400000000 ] - [ -0.0002571600000000, -0.0000405800000000, -0.0000468900000000 ] - [ 0.0001897100000000, -0.0000155400000000, 0.0001816600000000 ] - [ -0.0006568900000000, 0.0005119600000000, 0.0003855600000000 ] - [ -0.0002342800000000, 0.0000285700000000, 0.0000454600000000 ] - [ 0.0000000200000000, 0.0000490200000000, -0.0003922100000000 ] - [ 0.0000578300000000, -0.0002837200000000, 0.0005119700000000 ] - [ -0.0002506200000000, -0.0005090000000000, -0.0003132000000000 ] - [ -0.0003882500000000, 0.0001086200000000, 0.0000180200000000 ] - [ 0.0003211400000000, -0.0000229200000000, 0.0000065800000000 ] - [ 0.0001895000000000, 0.0003451400000000, -0.0002134800000000 ] - [ 0.0000467300000000, -0.0000104500000000, 0.0002413400000000 ] - [ -0.0000232800000000, -0.0002191600000000, -0.0005253900000000 ] - [ -0.0004795600000000, 0.0000638500000000, -0.0000799000000000 ] - [ 0.0001870600000000, 0.0001905000000000, 0.0001084200000000 ] - [ -0.0003699600000000, -0.0002694800000000, 0.0002972200000000 ] - [ 0.0001034800000000, -0.0000390900000000, -0.0000376900000000 ] - [ 0.0000857100000000, 0.0001871700000000, -0.0001498400000000 ] - [ -0.0001480700000000, 0.0001965500000000, 0.0004244500000000 ] - [ -0.0002190200000000, 0.0007985000000000, -0.0004792600000000 ] - [ -0.0003874700000000, -0.0002334700000000, 0.0000608700000000 ] - [ 0.0000403500000000, 0.0007618200000000, 0.0005998900000000 ] - [ 0.0002214800000000, -0.0005434800000000, -0.0003373000000000 ] - [ -0.0002750400000000, -0.0003682000000000, 0.0007464300000000 ] - [ -0.0000368400000000, 0.0000053400000000, -0.0003298100000000 ] - [ -0.0032560900000000, 0.0009151300000000, -0.0008190900000000 ] - [ -0.0003951100000000, -0.0007097200000000, 0.0001003200000000 ] - [ -0.0002407700000000, -0.0000312300000000, 0.0001895500000000 ] - [ 0.0000136600000000, -0.0000983000000000, -0.0000142500000000 ] - [ -0.0005150500000000, -0.0006190500000000, -0.0001934300000000 ] - [ 0.0002710800000000, 0.0007169200000000, -0.0007852200000000 ] - [ -0.0010107800000000, -0.0016242900000000, -0.0007043300000000 ] - [ -0.0004453100000000, -0.0000888300000000, -0.0001400900000000 ] - [ 0.0002939700000000, -0.0002559700000000, 0.0001504200000000 ] - [ 0.0001506800000000, 0.0002028400000000, -0.0001182800000000 ] - [ -0.0000642000000000, 0.0002571800000000, 0.0004786800000000 ] - [ -0.0000290000000000, -0.0003804800000000, -0.0007129800000000 ] - [ -0.0002560500000000, -0.0001251500000000, -0.0000419000000000 ] - [ 0.0003596400000000, -0.0004594600000000, 0.0003464700000000 ] - [ -0.0003338500000000, -0.0003913300000000, 0.0003192900000000 ] - [ 0.0003184300000000, -0.0000458300000000, -0.0000388400000000 ] - [ 0.0000194500000000, -0.0004581400000000, -0.0008063600000000 ] - [ -0.0000544600000000, -0.0000452000000000, 0.0001979700000000 ] - [ -0.0001361900000000, 0.0001012100000000, -0.0000572200000000 ] - [ -0.0002104200000000, -0.0002059900000000, 0.0001894500000000 ] - [ 0.0003867900000000, 0.0000112200000000, -0.0000418700000000 ] - [ 0.0004107500000000, -0.0003103000000000, -0.0001394300000000 ] - [ 0.0000708700000000, -0.0002512300000000, 0.0003987800000000 ] - [ 0.0000430700000000, 0.0003266700000000, -0.0006110900000000 ] - [ -0.0001819600000000, -0.0000852200000000, -0.0000450400000000 ] - [ 0.0002360700000000, -0.0000333700000000, 0.0001813200000000 ] - [ -0.0001079300000000, -0.0002762900000000, 0.0001433900000000 ] - [ 0.0011120600000000, 0.0001570100000000, -0.0001327300000000 ] - [ 0.0000347600000000, -0.0000323000000000, -0.0002457300000000 ] - [ 0.0000761100000000, -0.0003475900000000, 0.0005637100000000 ] - [ -0.0002729800000000, -0.0006093900000000, -0.0003866600000000 ] - [ -0.0005455600000000, -0.0001169300000000, -0.0003034400000000 ] - [ 0.0034647600000000, 0.0173691700000000, 0.0098380300000000 ] - [ 0.0010768500000000, -0.0019170000000000, -0.0002022300000000 ] - [ -0.0003816100000000, 0.0048262100000000, -0.0011674400000000 ] - [ 0.0005309100000000, 0.0003745000000000, -0.0001179000000000 ] - [ -0.0004372300000000, -0.0020722500000000, -0.0002633900000000 ] - [ -0.0012548400000000, -0.0029054300000000, -0.0003093400000000 ] - [ -0.0003888300000000, -0.0005472800000000, -0.0000350400000000 ] - [ -0.0000757500000000, 0.0004522000000000, -0.0001708100000000 ] - [ -0.0008549100000000, 0.0004569100000000, 0.0000074100000000 ] - [ 0.0000142300000000, -0.0015317100000000, -0.0002255900000000 ] - [ -0.0018426800000000, 0.0043936000000000, -0.0003319500000000 ] - [ 0.0000304300000000, -0.0016447100000000, -0.0000455500000000 ] - [ -0.0005220200000000, -0.0015675700000000, -0.0002061800000000 ] - [ 0.0013031000000000, -0.0007130500000000, -0.0001577400000000 ] - [ -0.0003376900000000, -0.0004861200000000, -0.0000345000000000 ] - [ 0.0011278300000000, -0.0019092200000000, 0.0002623600000000 ] - [ -0.0000008100000000, 0.0006014400000000, 0.0000786400000000 ] - [ -0.0003987300000000, 0.0007361700000000, -0.0000921000000000 ] - [ -0.0467151200000000, -0.1539434400000000, 0.1393325500000000 ] - [ -0.0002301000000000, 0.0009448300000000, -0.0004268500000000 ] - [ -0.0007975000000000, 0.0008164600000000, 0.0008569700000000 ] - [ -0.0005124500000000, 0.0004597500000000, -0.0001236800000000 ] - [ -0.0024913400000000, 0.0040603700000000, -0.0006131100000000 ] - [ 0.0052333500000000, 0.0035522000000000, -0.0017232800000000 ] - [ 0.0005173800000000, -0.0034426400000000, -0.0000247300000000 ] - [ -0.0011569300000000, 0.0007555200000000, 0.0003341400000000 ] - [ -0.0015925400000000, -0.0026696500000000, -0.0004496200000000 ] - [ 0.0032501700000000, -0.0053922500000000, 0.0017484100000000 ] - [ -0.0003815600000000, 0.0003757500000000, 0.0001995900000000 ] - [ -0.0002766600000000, 0.0007742600000000, -0.0000778000000000 ] - [ 0.0006955100000000, -0.0012281600000000, 0.0001593300000000 ] - [ -0.0009728400000000, 0.0006758400000000, -0.0005538700000000 ] - [ -0.0003301200000000, 0.0006062000000000, 0.0008473300000000 ] - [ -0.0010077000000000, -0.0000428300000000, -0.0003391700000000 ] - [ 0.0008085900000000, -0.0004475700000000, -0.0001656300000000 ] - [ 0.0001211000000000, -0.0001633800000000, 0.0009867000000000 ] - [ 0.0005570400000000, -0.0003505100000000, -0.0003626000000000 ] - [ -0.0009138600000000, -0.0000958500000000, 0.0002116500000000 ] - [ 0.0005066700000000, -0.0004027000000000, -0.0000611100000000 ] - [ 0.0001183200000000, -0.0002814600000000, 0.0000271100000000 ] - [ 0.0000542300000000, 0.0007452900000000, -0.0000260200000000 ] - [ -0.0007561900000000, 0.0016146700000000, -0.0006188600000000 ] - [ 0.0008320500000000, 0.0006560900000000, 0.0002079900000000 ] - [ -0.0002075700000000, 0.0005647000000000, -0.0002047100000000 ] - [ -0.0002647600000000, 0.0006717900000000, 0.0009857600000000 ] - [ 0.0005717800000000, 0.0029228800000000, 0.0029860300000000 ] - [ 0.0005431500000000, 0.0004785300000000, -0.0001813100000000 ] - [ 0.0002648500000000, 0.0004654100000000, 0.0009637700000000 ] - [ 0.0003942400000000, 0.0003135200000000, -0.0003153900000000 ] - [ -0.0005052000000000, 0.0007558400000000, 0.0002404500000000 ] - [ 0.0003359000000000, 0.0003827200000000, -0.0000859500000000 ] - [ 0.0000207400000000, 0.0003231100000000, 0.0000283300000000 ] - [ 0.0005306600000000, 0.0003248100000000, -0.0000256800000000 ] - [ 0.0004493500000000, 0.0010852900000000, -0.0001518600000000 ] - [ 0.0008218700000000, 0.0000583300000000, 0.0001833500000000 ] - [ 0.0002841900000000, 0.0002384400000000, -0.0001419200000000 ] - [ 0.0000143100000000, -0.0006656500000000, 0.0010097100000000 ] - [ -0.0001548400000000, 0.0004216300000000, -0.0003651900000000 ] - [ 0.0002742200000000, 0.0003972600000000, -0.0003034300000000 ] - [ 0.0003912800000000, 0.0004423900000000, 0.0008777900000000 ] - [ 0.0007312500000000, 0.0006455600000000, -0.0004741700000000 ] - [ -0.0004444300000000, -0.0003334100000000, 0.0001292400000000 ] - [ -0.0000215400000000, 0.0008684000000000, -0.0000894200000000 ] - [ 0.0001975100000000, 0.0003110000000000, 0.0002284900000000 ] - [ -0.0000562500000000, 0.0000072600000000, 0.0001083900000000 ] - [ -0.0001816300000000, -0.0000451500000000, -0.0000850700000000 ] - [ 0.0009989500000000, -0.0000791900000000, 0.0002117000000000 ] - [ -0.0004334000000000, -0.0001779600000000, -0.0003977700000000 ] - [ -0.0001046100000000, -0.0003365500000000, 0.0009014700000000 ] - [ -0.0003879200000000, 0.0002570400000000, -0.0002252900000000 ] - [ 0.0006715300000000, -0.0001502200000000, -0.0003529400000000 ] - [ 0.0001780200000000, -0.0008378600000000, 0.0008271800000000 ] - [ 0.0013125600000000, -0.0011781200000000, -0.0006619000000000 ] - [ -0.0005926000000000, 0.0004116600000000, 0.0001945500000000 ] - [ 0.0003332600000000, -0.0012566300000000, -0.0000080700000000 ] - [ 0.0005408800000000, -0.0008769500000000, 0.0002149900000000 ] - [ 0.0000095900000000, 0.0003463600000000, 0.0002460900000000 ] - [ 0.0003500300000000, 0.0009095500000000, -0.0001840800000000 ] - [ 0.0029845200000000, -0.0012369900000000, 0.0007084000000000 ] - [ -0.0004003000000000, 0.0007066300000000, -0.0004117000000000 ] - [ -0.0002279900000000, 0.0006526700000000, 0.0008444600000000 ] - [ 0.0004220200000000, 0.0008022000000000, -0.0003137600000000 ] - [ -0.0017080100000000, 0.0002274900000000, 0.0011811500000000 ] - [ 0.0011766100000000, 0.0015355100000000, 0.0008783100000000 ] - [ 0.0025518900000000, -0.0001004300000000, -0.0010349500000000 ] - [ -0.0005953300000000, 0.0002300400000000, 0.0001425800000000 ] - [ -0.0018839100000000, -0.0057387900000000, -0.0077447100000000 ] - [ 0.0094853500000000, 0.0036381100000000, -0.0249650600000000 ] - [ -0.0000363300000000, 0.0000341200000000, 0.0001471300000000 ] - [ 0.0000280400000000, -0.0005462500000000, -0.0001155600000000 ] - [ 0.0008383200000000, 0.0005352200000000, 0.0001961300000000 ] - [ -0.0005189300000000, -0.0000337500000000, -0.0003976900000000 ] - [ -0.0003401800000000, 0.0002417100000000, 0.0009466200000000 ] - [ -0.0002638500000000, -0.0004804100000000, -0.0002421800000000 ] - [ 0.0003647500000000, 0.0002353100000000, -0.0001777100000000 ] - [ 0.0003685700000000, 0.0004019400000000, 0.0009774300000000 ] - [ 0.0004301500000000, 0.0002055200000000, -0.0003179700000000 ] - [ -0.0009782900000000, 0.0004098400000000, 0.0001747700000000 ] - [ 0.0002347200000000, 0.0002316900000000, -0.0001082000000000 ] - [ 0.0000293200000000, 0.0002766600000000, 0.0000627400000000 ] - [ -0.0007176100000000, 0.0000265900000000, 0.0002594500000000 ] - [ -0.0002934400000000, 0.0006198900000000, -0.0000779600000000 ] - [ 0.0007260700000000, 0.0000583000000000, 0.0001799300000000 ] - [ -0.0013048600000000, 0.0004515600000000, -0.0003878300000000 ] - [ -0.0017219800000000, -0.0009599300000000, 0.0005968300000000 ] - [ -0.0004823300000000, 0.0004694400000000, -0.0002625800000000 ] - [ 0.0003158500000000, 0.0004850100000000, -0.0003568600000000 ] - [ 0.0001524800000000, 0.0008521500000000, 0.0008088300000000 ] - [ 0.0006918700000000, 0.0007955700000000, -0.0005341700000000 ] - [ -0.0017225300000000, 0.0013660700000000, 0.0005998100000000 ] - [ -0.0001003900000000, 0.0011227900000000, -0.0000772900000000 ] - [ 0.0001770100000000, 0.0004515600000000, 0.0002655200000000 ]- atom: 123 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017010900000000, -0.0001670500000000, 0.0005610200000000 ] - [ 0.0000144600000000, 0.0005935600000000, -0.0004297000000000 ] - [ 0.0002269000000000, 0.0009122400000000, -0.0004594300000000 ] - [ 0.0003142500000000, -0.0007364600000000, -0.0005437800000000 ] - [ 0.0012802900000000, 0.0000733300000000, -0.0002340000000000 ] - [ 0.0000259000000000, 0.0010216100000000, -0.0004941600000000 ] - [ -0.0002597500000000, 0.0006225500000000, -0.0004983400000000 ] - [ -0.0005508800000000, -0.0101623700000000, -0.0011514700000000 ] - [ -0.0413321700000000, -0.0954746800000000, 0.1103587700000000 ] - [ 0.0004147800000000, 0.0008513300000000, -0.0002736100000000 ] - [ -0.0001224500000000, 0.0004000100000000, 0.0006379800000000 ] - [ -0.0001986400000000, 0.0003114200000000, -0.0003099100000000 ] - [ -0.0026283400000000, -0.0252382900000000, 0.0099937200000000 ] - [ 0.0022535200000000, -0.0008048400000000, 0.0024564400000000 ] - [ 0.0004243200000000, 0.0005914000000000, -0.0001881200000000 ] - [ 0.0000351700000000, 0.0002095500000000, 0.0000008300000000 ] - [ 0.0003925700000000, -0.0014224900000000, -0.0024868600000000 ] - [ -0.0018631700000000, -0.0000720400000000, -0.0012972400000000 ] - [ 0.0022534900000000, -0.0003659000000000, 0.0004960500000000 ] - [ -0.0004796800000000, 0.0000719700000000, -0.0001278100000000 ] - [ 0.0003102400000000, -0.0005716500000000, -0.0004075200000000 ] - [ 0.0000882100000000, -0.0000783200000000, -0.0000366500000000 ] - [ -0.0002205600000000, -0.0000221000000000, 0.0002646100000000 ] - [ -0.0000506100000000, 0.0004723400000000, -0.0008207000000000 ] - [ -0.0001613900000000, -0.0000333100000000, -0.0000575800000000 ] - [ 0.0001004900000000, -0.0000789600000000, 0.0001440300000000 ] - [ -0.0004108000000000, 0.0004941800000000, 0.0003665500000000 ] - [ 0.0000775800000000, 0.0000966900000000, -0.0000163300000000 ] - [ 0.0000042900000000, 0.0000434600000000, -0.0003833400000000 ] - [ 0.0001831100000000, -0.0003985900000000, 0.0006609500000000 ] - [ -0.0002318000000000, -0.0005206800000000, -0.0002985800000000 ] - [ -0.0003381000000000, 0.0001834600000000, 0.0000819400000000 ] - [ 0.0003877100000000, 0.0000148800000000, -0.0000503500000000 ] - [ 0.0003176600000000, 0.0007212300000000, -0.0004468600000000 ] - [ -0.0010371900000000, 0.0002070800000000, 0.0012848900000000 ] - [ -0.0000002400000000, 0.0001048800000000, -0.0002100500000000 ] - [ -0.0002169900000000, 0.0000786200000000, -0.0000432500000000 ] - [ 0.0001814300000000, 0.0000710500000000, 0.0001626800000000 ] - [ -0.0001364800000000, 0.0001483400000000, 0.0001351600000000 ] - [ 0.0004015600000000, 0.0002301800000000, -0.0000385900000000 ] - [ 0.0000034300000000, 0.0000139100000000, -0.0003109600000000 ] - [ 0.0001074100000000, 0.0003517800000000, 0.0005830800000000 ] - [ -0.0002732100000000, 0.0005717800000000, -0.0003594400000000 ] - [ -0.0001981300000000, -0.0000323000000000, 0.0000965100000000 ] - [ 0.0002940400000000, 0.0002814600000000, 0.0001591300000000 ] - [ 0.0005506300000000, -0.0005182000000000, -0.0004275800000000 ] - [ 0.0001740600000000, 0.0001123800000000, 0.0000795400000000 ] - [ 0.0002225800000000, 0.0000663600000000, -0.0002448400000000 ] - [ -0.0002196200000000, 0.0001199800000000, -0.0000433600000000 ] - [ 0.0004112600000000, 0.0004974300000000, 0.0003622000000000 ] - [ 0.0000527600000000, -0.0000239000000000, 0.0001600600000000 ] - [ 0.0007078400000000, 0.0000520800000000, -0.0001350000000000 ] - [ 0.0000439100000000, 0.0004453700000000, -0.0007561700000000 ] - [ -0.0000824700000000, 0.0000537700000000, 0.0001823700000000 ] - [ -0.0001281400000000, -0.0001333700000000, -0.0000780000000000 ] - [ -0.0002811000000000, 0.0001795600000000, 0.0001117600000000 ] - [ 0.0003496200000000, -0.0002640600000000, 0.0001216900000000 ] - [ 0.0001888600000000, 0.0002955600000000, -0.0001767700000000 ] - [ -0.0000213800000000, 0.0002388300000000, 0.0004516700000000 ] - [ -0.0000206500000000, -0.0002769100000000, -0.0006246400000000 ] - [ 0.0000048000000000, -0.0001426400000000, -0.0000101400000000 ] - [ 0.0004149100000000, -0.0006713800000000, 0.0004353000000000 ] - [ -0.0002321000000000, -0.0002152100000000, 0.0002477500000000 ] - [ 0.0003723500000000, -0.0000409000000000, -0.0000524500000000 ] - [ -0.0000410400000000, -0.0006796600000000, -0.0009968000000000 ] - [ 0.0001229800000000, 0.0000329900000000, 0.0002699600000000 ] - [ -0.0001595600000000, -0.0001540800000000, 0.0000869900000000 ] - [ -0.0002817700000000, -0.0000553500000000, 0.0000693000000000 ] - [ 0.0006274500000000, -0.0004701900000000, -0.0004656000000000 ] - [ 0.0001574200000000, -0.0000993600000000, -0.0000541500000000 ] - [ 0.0002990200000000, 0.0001375700000000, -0.0000501000000000 ] - [ -0.0000070500000000, 0.0004887100000000, -0.0008181800000000 ] - [ 0.0027447800000000, -0.0008249400000000, 0.0007160400000000 ] - [ 0.0009928900000000, 0.0011920700000000, 0.0004485800000000 ] - [ -0.0003606200000000, 0.0005137900000000, 0.0003546800000000 ] - [ 0.0004618900000000, 0.0001772000000000, -0.0000757000000000 ] - [ 0.0005665000000000, 0.0011146100000000, -0.0009516300000000 ] - [ -0.0003005800000000, -0.0009384400000000, 0.0014737300000000 ] - [ 0.0006299600000000, 0.0009646400000000, 0.0002886200000000 ] - [ -0.0002241700000000, 0.0003759200000000, 0.0002696400000000 ] - [ 0.0003754000000000, -0.0000325400000000, -0.0000203300000000 ] - [ 0.0002284300000000, 0.0004390900000000, -0.0002727600000000 ] - [ 0.0000898000000000, -0.0000270100000000, 0.0002152000000000 ] - [ -0.0000147100000000, -0.0001147700000000, -0.0004359800000000 ] - [ -0.0002195000000000, 0.0000450300000000, -0.0000480400000000 ] - [ 0.0002428900000000, -0.0000259500000000, 0.0001989400000000 ] - [ -0.0002673200000000, -0.0000920600000000, 0.0002249900000000 ] - [ 0.0001600400000000, -0.0000337400000000, -0.0000517200000000 ] - [ 0.0000248500000000, -0.0000387700000000, -0.0003448800000000 ] - [ 0.0000289900000000, 0.0002732700000000, 0.0004941300000000 ] - [ -0.0002415100000000, 0.0005389300000000, -0.0003323200000000 ] - [ -0.0004579600000000, -0.0000821300000000, -0.0000592100000000 ] - [ 0.0002832300000000, 0.0002758300000000, 0.0001704600000000 ] - [ -0.0000297000000000, -0.0003317000000000, -0.0002519500000000 ] - [ -0.0000445000000000, 0.0000217700000000, 0.0002939600000000 ] - [ -0.0000856100000000, 0.0001687300000000, -0.0005366200000000 ] - [ -0.0002940600000000, 0.0001642000000000, -0.0000451800000000 ] - [ 0.0003651800000000, 0.0005149300000000, 0.0003624800000000 ] - [ -0.0004914200000000, 0.0007609500000000, 0.0004007500000000 ] - [ -0.0006276300000000, -0.0000767200000000, 0.0000412900000000 ] - [ 0.0000094000000000, 0.0005258400000000, -0.0009013500000000 ] - [ -0.0001005800000000, 0.0001172700000000, 0.0001310300000000 ] - [ -0.0001060700000000, -0.0000338500000000, -0.0000052100000000 ] - [ -0.0001268600000000, 0.0004029600000000, 0.0004284100000000 ] - [ -0.0043888900000000, -0.0185499500000000, -0.0100213700000000 ] - [ -0.0002339000000000, 0.0006245200000000, -0.0000640300000000 ] - [ -0.0004683300000000, -0.0035643500000000, 0.0009937000000000 ] - [ 0.0003115300000000, 0.0009081100000000, -0.0001470500000000 ] - [ -0.0004055400000000, 0.0007770100000000, -0.0000028400000000 ] - [ 0.0020796400000000, 0.0016065200000000, 0.0000427500000000 ] - [ -0.0004545400000000, 0.0018298500000000, -0.0002294200000000 ] - [ 0.0009170600000000, 0.0008385000000000, -0.0000955500000000 ] - [ 0.0000207000000000, -0.0017422100000000, -0.0002726600000000 ] - [ 0.0008280200000000, 0.0002374200000000, -0.0000404200000000 ] - [ 0.0010098800000000, -0.0030848500000000, 0.0000662000000000 ] - [ 0.0008151200000000, 0.0029254100000000, -0.0002179300000000 ] - [ -0.0003197500000000, 0.0002759300000000, -0.0000597000000000 ] - [ -0.0004531800000000, -0.0005739400000000, -0.0001090500000000 ] - [ -0.0005039100000000, 0.0017682900000000, -0.0002299900000000 ] - [ -0.0002812100000000, 0.0031773100000000, -0.0005229800000000 ] - [ -0.0002132100000000, -0.0006766900000000, 0.0002163800000000 ] - [ 0.0001699200000000, -0.0013953400000000, -0.0000884600000000 ] - [ 0.0544813900000000, 0.1529362100000000, -0.1429196900000000 ] - [ -0.0009031000000000, -0.0014098700000000, -0.0003855000000000 ] - [ 0.0001898400000000, -0.0009757500000000, 0.0009568600000000 ] - [ -0.0002187200000000, -0.0005399800000000, -0.0003857700000000 ] - [ 0.0032771900000000, -0.0042221700000000, 0.0001068300000000 ] - [ -0.0045498700000000, -0.0036747100000000, 0.0035063300000000 ] - [ 0.0006254600000000, 0.0029542000000000, -0.0008096300000000 ] - [ -0.0004517200000000, -0.0002221100000000, 0.0000402600000000 ] - [ 0.0018259500000000, 0.0020211900000000, 0.0002761800000000 ] - [ -0.0032425000000000, 0.0052916500000000, -0.0015524900000000 ] - [ 0.0001666500000000, -0.0002962100000000, 0.0000988300000000 ] - [ 0.0000486800000000, -0.0001095400000000, -0.0001004800000000 ] - [ 0.0009076500000000, 0.0007062400000000, 0.0002187900000000 ] - [ -0.0001548300000000, -0.0002103600000000, -0.0002638500000000 ] - [ -0.0002731900000000, -0.0004203900000000, 0.0009693900000000 ] - [ 0.0002816200000000, 0.0001262100000000, -0.0001711200000000 ] - [ -0.0000793400000000, 0.0005223200000000, -0.0003413100000000 ] - [ 0.0004803300000000, 0.0003505700000000, 0.0008295100000000 ] - [ 0.0005655700000000, 0.0008163600000000, -0.0004542500000000 ] - [ -0.0006936200000000, -0.0004360400000000, 0.0001650900000000 ] - [ -0.0002825300000000, 0.0010625500000000, -0.0001185600000000 ] - [ 0.0000924400000000, 0.0003600300000000, 0.0002706300000000 ] - [ -0.0002660600000000, -0.0008172200000000, 0.0003239500000000 ] - [ 0.0005259000000000, -0.0022615500000000, 0.0004314800000000 ] - [ 0.0007762200000000, -0.0001209300000000, 0.0001687300000000 ] - [ -0.0009167700000000, -0.0010230900000000, -0.0006118100000000 ] - [ -0.0003372900000000, -0.0008506800000000, 0.0008319800000000 ] - [ -0.0012860700000000, -0.0029678800000000, -0.0034526500000000 ] - [ 0.0001887600000000, -0.0005573300000000, -0.0003268400000000 ] - [ 0.0003376900000000, -0.0006463600000000, 0.0008534800000000 ] - [ 0.0007336900000000, -0.0007753900000000, -0.0005025800000000 ] - [ -0.0010987300000000, -0.0002216200000000, 0.0001368100000000 ] - [ -0.0001058600000000, -0.0010408700000000, -0.0000941800000000 ] - [ 0.0001939400000000, -0.0004001400000000, 0.0002697700000000 ] - [ -0.0007388600000000, -0.0002466000000000, 0.0003210700000000 ] - [ -0.0006728300000000, -0.0004197100000000, -0.0000287400000000 ] - [ 0.0007868200000000, -0.0005894500000000, 0.0001935300000000 ] - [ -0.0014046300000000, 0.0002206800000000, -0.0006719300000000 ] - [ -0.0006178400000000, 0.0008375100000000, 0.0008054500000000 ] - [ -0.0005736200000000, -0.0003373300000000, -0.0001421100000000 ] - [ 0.0004560700000000, -0.0003133600000000, -0.0002065600000000 ] - [ 0.0002118500000000, -0.0002575300000000, 0.0009387400000000 ] - [ 0.0004003300000000, -0.0001787100000000, -0.0003452800000000 ] - [ -0.0011622900000000, -0.0002012800000000, 0.0002476500000000 ] - [ 0.0002479800000000, -0.0002016300000000, -0.0000903000000000 ] - [ 0.0000174600000000, -0.0002317400000000, 0.0000702300000000 ] - [ -0.0001578700000000, -0.0000836500000000, 0.0001902500000000 ] - [ -0.0000463200000000, -0.0006155800000000, -0.0000945400000000 ] - [ 0.0006069300000000, 0.0006096000000000, 0.0001645000000000 ] - [ -0.0006953700000000, -0.0002854200000000, -0.0004206700000000 ] - [ -0.0004989400000000, 0.0001544500000000, 0.0009156600000000 ] - [ -0.0003426300000000, -0.0003378400000000, -0.0002834100000000 ] - [ 0.0000590400000000, 0.0000688000000000, -0.0001574100000000 ] - [ 0.0004223900000000, 0.0006480900000000, 0.0009892400000000 ] - [ -0.0001839900000000, 0.0007078200000000, -0.0001567700000000 ] - [ -0.0010144000000000, 0.0001231200000000, 0.0001816900000000 ] - [ -0.0001073200000000, 0.0005867500000000, -0.0001702400000000 ] - [ -0.0003267700000000, 0.0007943000000000, 0.0000814100000000 ] - [ -0.0002238100000000, -0.0002665200000000, 0.0000528900000000 ] - [ -0.0005749600000000, -0.0002422100000000, 0.0000039100000000 ] - [ -0.0013547400000000, 0.0006970600000000, -0.0003250800000000 ] - [ -0.0007300300000000, -0.0002391800000000, -0.0004077500000000 ] - [ -0.0003754700000000, -0.0004663900000000, 0.0009719400000000 ] - [ -0.0011485100000000, -0.0007179600000000, -0.0001987700000000 ] - [ 0.0024286400000000, -0.0001510000000000, -0.0016792800000000 ] - [ -0.0005728900000000, -0.0013381400000000, 0.0009480000000000 ] - [ -0.0014199600000000, 0.0005462800000000, 0.0001448400000000 ] - [ -0.0010121000000000, -0.0007612400000000, 0.0002337700000000 ] - [ 0.0020721300000000, 0.0063736900000000, 0.0074753000000000 ] - [ -0.0092179000000000, -0.0034818100000000, 0.0251849600000000 ] - [ -0.0001791400000000, -0.0001123000000000, 0.0001517900000000 ] - [ -0.0002549100000000, -0.0001198200000000, -0.0000645600000000 ] - [ 0.0007690900000000, -0.0000012900000000, 0.0001810300000000 ] - [ -0.0006126800000000, -0.0004308800000000, -0.0004214800000000 ] - [ -0.0002637000000000, -0.0004249800000000, 0.0008709300000000 ] - [ -0.0004670900000000, 0.0003950800000000, -0.0002664300000000 ] - [ 0.0003643500000000, -0.0003163400000000, -0.0003296200000000 ] - [ 0.0002348500000000, -0.0005824600000000, 0.0008401000000000 ] - [ 0.0006955700000000, -0.0006662500000000, -0.0004989100000000 ] - [ -0.0006321400000000, 0.0001228100000000, 0.0002020700000000 ] - [ -0.0000055900000000, -0.0008906300000000, -0.0000720700000000 ] - [ 0.0001846800000000, -0.0003533300000000, 0.0002353800000000 ] - [ 0.0004966700000000, 0.0000513500000000, 0.0000406100000000 ] - [ 0.0000632100000000, 0.0000440700000000, -0.0001009400000000 ] - [ 0.0008811500000000, -0.0005893500000000, 0.0001969100000000 ] - [ 0.0001710800000000, 0.0000132000000000, -0.0004314200000000 ] - [ 0.0011059400000000, 0.0011348300000000, 0.0012182500000000 ] - [ -0.0002495700000000, -0.0003838900000000, -0.0002454500000000 ] - [ 0.0004138200000000, -0.0004010500000000, -0.0001536600000000 ] - [ 0.0004498100000000, -0.0006631200000000, 0.0010071300000000 ] - [ 0.0004395000000000, -0.0003271100000000, -0.0002858600000000 ] - [ 0.0001081600000000, -0.0018799300000000, -0.0002178000000000 ] - [ 0.0003265800000000, -0.0004544100000000, -0.0001021400000000 ] - [ 0.0000384000000000, -0.0003710600000000, 0.0000336600000000 ]- atom: 123 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006130900000000, 0.0001326700000000, -0.0005531100000000 ] - [ 0.0000017500000000, 0.0000066400000000, -0.0004619200000000 ] - [ -0.0000113900000000, -0.0000404500000000, -0.0004340200000000 ] - [ -0.0001827200000000, -0.0001061400000000, -0.0004807300000000 ] - [ -0.0000231300000000, 0.0000504300000000, -0.0004302900000000 ] - [ -0.0000029500000000, -0.0000659900000000, -0.0004500700000000 ] - [ -0.0000067400000000, -0.0000160400000000, -0.0004589100000000 ] - [ 0.0010038900000000, -0.0042277000000000, 0.0053956600000000 ] - [ -0.0509238300000000, -0.1056752700000000, 0.1747845200000000 ] - [ -0.0000641500000000, 0.0002879300000000, 0.0001494800000000 ] - [ 0.0000264900000000, 0.0000891500000000, 0.0003249100000000 ] - [ -0.0002233000000000, 0.0000035200000000, -0.0012201100000000 ] - [ 0.0333418100000000, -0.0132542500000000, 0.0451015700000000 ] - [ -0.0011298200000000, -0.0011796900000000, -0.0011707700000000 ] - [ -0.0004159200000000, -0.0001675000000000, 0.0002317200000000 ] - [ 0.0002941400000000, -0.0001075700000000, -0.0000120100000000 ] - [ 0.0007328500000000, -0.0003685600000000, -0.0018629300000000 ] - [ -0.0000644300000000, 0.0006040600000000, 0.0006839400000000 ] - [ 0.0010465500000000, -0.0001045900000000, 0.0011506200000000 ] - [ -0.0003080200000000, -0.0001582200000000, 0.0001095000000000 ] - [ 0.0005495600000000, 0.0007599600000000, 0.0012484600000000 ] - [ 0.0001971500000000, -0.0003282000000000, -0.0001986500000000 ] - [ 0.0000513500000000, -0.0000697600000000, 0.0003094600000000 ] - [ -0.0000171900000000, 0.0002432900000000, -0.0005702300000000 ] - [ -0.0003844100000000, 0.0000851800000000, -0.0000069800000000 ] - [ 0.0003088400000000, 0.0003329900000000, 0.0002967200000000 ] - [ -0.0002943400000000, 0.0002361400000000, 0.0002692700000000 ] - [ 0.0002685700000000, 0.0000484800000000, -0.0000503600000000 ] - [ 0.0000060500000000, 0.0003172700000000, -0.0006401500000000 ] - [ -0.0001028900000000, -0.0001569000000000, 0.0003861200000000 ] - [ -0.0002015600000000, -0.0002792100000000, -0.0001716600000000 ] - [ -0.0003307700000000, 0.0001561300000000, 0.0000735000000000 ] - [ 0.0003325800000000, -0.0001497300000000, 0.0000692100000000 ] - [ 0.0001887300000000, 0.0003041400000000, -0.0001789500000000 ] - [ 0.0007039800000000, 0.0000799100000000, -0.0005630600000000 ] - [ -0.0000205700000000, -0.0002523200000000, -0.0005779100000000 ] - [ -0.0002338000000000, -0.0000439100000000, -0.0000447300000000 ] - [ 0.0003109200000000, -0.0002590300000000, 0.0002792500000000 ] - [ -0.0003022400000000, -0.0002513300000000, 0.0002690600000000 ] - [ 0.0002608500000000, -0.0001548900000000, -0.0000618200000000 ] - [ 0.0000247900000000, -0.0002585300000000, -0.0005828100000000 ] - [ -0.0000166500000000, 0.0001089400000000, 0.0003387300000000 ] - [ -0.0001837200000000, 0.0003119000000000, -0.0001886200000000 ] - [ -0.0004040300000000, -0.0002116400000000, -0.0000236900000000 ] - [ 0.0003379100000000, 0.0001390500000000, 0.0000600600000000 ] - [ 0.0002261400000000, -0.0004268200000000, -0.0003586800000000 ] - [ 0.0000163000000000, -0.0001150000000000, 0.0003235000000000 ] - [ -0.0000884500000000, 0.0000537700000000, -0.0004175400000000 ] - [ -0.0002346900000000, 0.0000375200000000, -0.0000449200000000 ] - [ 0.0003007600000000, 0.0002359000000000, 0.0002694600000000 ] - [ -0.0002340500000000, 0.0001501000000000, 0.0002623900000000 ] - [ 0.0002622100000000, 0.0000056900000000, -0.0000601800000000 ] - [ 0.0000239700000000, 0.0002431300000000, -0.0005660300000000 ] - [ -0.0000104300000000, -0.0001174200000000, 0.0003506300000000 ] - [ -0.0001915000000000, -0.0003274700000000, -0.0001981400000000 ] - [ -0.0003446200000000, 0.0001301700000000, 0.0000440300000000 ] - [ 0.0002928500000000, -0.0001603900000000, 0.0001025600000000 ] - [ 0.0001870400000000, 0.0003517200000000, -0.0002100100000000 ] - [ 0.0000078600000000, 0.0001208200000000, 0.0003550600000000 ] - [ -0.0000288700000000, -0.0002233700000000, -0.0005427200000000 ] - [ -0.0003698800000000, -0.0000480000000000, -0.0000689000000000 ] - [ 0.0002616000000000, -0.0002240000000000, 0.0002593000000000 ] - [ -0.0003131700000000, -0.0002298300000000, 0.0002705100000000 ] - [ 0.0002127600000000, -0.0000303200000000, -0.0000433100000000 ] - [ 0.0000157600000000, -0.0002333100000000, -0.0005424800000000 ] - [ -0.0000405700000000, 0.0001059300000000, 0.0003270900000000 ] - [ -0.0002117100000000, 0.0003505800000000, -0.0002341300000000 ] - [ -0.0003481800000000, -0.0001388200000000, 0.0000520400000000 ] - [ 0.0004266100000000, 0.0001527900000000, 0.0000725600000000 ] - [ 0.0001825000000000, -0.0003243000000000, -0.0001958800000000 ] - [ -0.0000260600000000, -0.0001349200000000, 0.0003323300000000 ] - [ -0.0000268900000000, 0.0002408500000000, -0.0005693400000000 ] - [ 0.0000262600000000, -0.0000482200000000, 0.0009771400000000 ] - [ 0.0003585100000000, 0.0002302500000000, -0.0001750400000000 ] - [ -0.0003068300000000, 0.0002344800000000, 0.0002727800000000 ] - [ 0.0001878800000000, 0.0000350700000000, -0.0000376100000000 ] - [ -0.0001263700000000, 0.0002556400000000, -0.0005479300000000 ] - [ -0.0000168000000000, 0.0007307100000000, -0.0025937200000000 ] - [ 0.0002263500000000, -0.0001289700000000, 0.0008933000000000 ] - [ -0.0003663700000000, 0.0001039000000000, 0.0000351800000000 ] - [ 0.0003336800000000, -0.0001467600000000, 0.0000672000000000 ] - [ 0.0001846000000000, 0.0003093100000000, -0.0001874500000000 ] - [ -0.0000004700000000, 0.0001029900000000, 0.0003451800000000 ] - [ -0.0000235200000000, -0.0002574300000000, -0.0005846200000000 ] - [ -0.0002420900000000, -0.0000417800000000, -0.0000454900000000 ] - [ 0.0002982800000000, -0.0002425600000000, 0.0002721800000000 ] - [ -0.0003074200000000, -0.0002525900000000, 0.0002768400000000 ] - [ 0.0002223400000000, -0.0000421400000000, -0.0000420900000000 ] - [ 0.0000196500000000, -0.0002510400000000, -0.0005784800000000 ] - [ -0.0000169600000000, 0.0001093600000000, 0.0003407100000000 ] - [ -0.0001912400000000, 0.0003164600000000, -0.0001925600000000 ] - [ -0.0003436400000000, -0.0001379300000000, 0.0000581900000000 ] - [ 0.0003338700000000, 0.0001410400000000, 0.0000639200000000 ] - [ 0.0001713300000000, -0.0002788700000000, -0.0001087400000000 ] - [ 0.0000066700000000, -0.0001146100000000, 0.0003552200000000 ] - [ -0.0000772200000000, 0.0003637900000000, -0.0006655900000000 ] - [ -0.0002393700000000, 0.0000360300000000, -0.0000454900000000 ] - [ 0.0003018600000000, 0.0002363300000000, 0.0002715000000000 ] - [ -0.0004722600000000, -0.0000089000000000, 0.0002574200000000 ] - [ 0.0001798600000000, 0.0000179800000000, -0.0000267400000000 ] - [ 0.0000232000000000, 0.0002381500000000, -0.0005651400000000 ] - [ -0.0000109800000000, -0.0001247300000000, 0.0003545400000000 ] - [ -0.0001925300000000, -0.0003283500000000, -0.0002011000000000 ] - [ -0.0002096900000000, 0.0000797500000000, 0.0001967700000000 ] - [ -0.0142953600000000, -0.0083923900000000, -0.0188574400000000 ] - [ 0.0005589200000000, -0.0006888000000000, -0.0001500100000000 ] - [ -0.0024677800000000, 0.0016984400000000, -0.0044572300000000 ] - [ 0.0004178400000000, 0.0007697200000000, -0.0001411600000000 ] - [ -0.0004142700000000, -0.0006970700000000, -0.0001344000000000 ] - [ 0.0007521700000000, 0.0000695700000000, 0.0000944200000000 ] - [ -0.0004010000000000, 0.0006109200000000, -0.0001270500000000 ] - [ 0.0004292300000000, 0.0005417200000000, -0.0001035000000000 ] - [ -0.0008212900000000, -0.0005705600000000, -0.0000693100000000 ] - [ 0.0003386900000000, -0.0006153300000000, -0.0001295800000000 ] - [ -0.0008464600000000, 0.0005013900000000, 0.0002204200000000 ] - [ 0.0002642100000000, 0.0006046000000000, -0.0000287400000000 ] - [ -0.0004212800000000, -0.0006683700000000, -0.0001315600000000 ] - [ 0.0004078900000000, -0.0006848800000000, -0.0000626700000000 ] - [ -0.0004321200000000, 0.0006112500000000, -0.0001259900000000 ] - [ 0.0004935200000000, 0.0005424000000000, -0.0002892400000000 ] - [ -0.0000083300000000, 0.0001063000000000, 0.0000163300000000 ] - [ -0.0001199900000000, -0.0002203100000000, -0.0001171200000000 ] - [ 0.0295286800000000, 0.1463953100000000, -0.2682881000000000 ] - [ -0.0004982000000000, -0.0001054100000000, -0.0002002700000000 ] - [ -0.0000786500000000, 0.0017898600000000, 0.0016352800000000 ] - [ -0.0003765200000000, -0.0000024400000000, -0.0002512700000000 ] - [ 0.0002630100000000, 0.0000313300000000, -0.0008715600000000 ] - [ -0.0029018900000000, -0.0034971400000000, 0.0014757800000000 ] - [ 0.0002768400000000, -0.0004527500000000, 0.0025887200000000 ] - [ -0.0009121300000000, 0.0003137600000000, 0.0001452300000000 ] - [ -0.0001182400000000, -0.0013006900000000, 0.0005852200000000 ] - [ 0.0092370300000000, 0.0005325600000000, -0.0019321500000000 ] - [ -0.0001514700000000, 0.0000445700000000, 0.0001315300000000 ] - [ -0.0001951900000000, 0.0002634600000000, -0.0000633300000000 ] - [ 0.0008593900000000, -0.0007715700000000, -0.0003155300000000 ] - [ -0.0006148300000000, 0.0002369400000000, -0.0004161200000000 ] - [ -0.0003121800000000, 0.0000897300000000, 0.0009104100000000 ] - [ -0.0004205100000000, -0.0000650500000000, -0.0002569600000000 ] - [ 0.0004107000000000, 0.0001622100000000, -0.0002968400000000 ] - [ 0.0003172000000000, -0.0000496100000000, 0.0009471200000000 ] - [ 0.0008023100000000, 0.0001063800000000, -0.0004083200000000 ] - [ -0.0008202600000000, -0.0002843100000000, 0.0001858700000000 ] - [ 0.0003478800000000, 0.0003070700000000, -0.0000837100000000 ] - [ 0.0001992100000000, -0.0000018300000000, 0.0001029900000000 ] - [ -0.0001807100000000, 0.0000102000000000, 0.0001593200000000 ] - [ -0.0003077800000000, -0.0002391000000000, 0.0003664800000000 ] - [ 0.0007980000000000, 0.0002812400000000, 0.0001808600000000 ] - [ -0.0005357800000000, -0.0002285000000000, -0.0003792600000000 ] - [ -0.0003062200000000, -0.0000550600000000, 0.0009032600000000 ] - [ -0.0000511500000000, 0.0027104200000000, 0.0010727400000000 ] - [ 0.0003618900000000, -0.0000200700000000, -0.0002540600000000 ] - [ 0.0002893900000000, -0.0000656700000000, 0.0009107800000000 ] - [ 0.0005525900000000, -0.0002160700000000, -0.0004046000000000 ] - [ -0.0007393800000000, 0.0004081300000000, 0.0001444100000000 ] - [ 0.0001178200000000, -0.0003034000000000, -0.0000885700000000 ] - [ 0.0001000400000000, -0.0000272500000000, 0.0001496300000000 ] - [ -0.0001843000000000, 0.0000006100000000, 0.0003731500000000 ] - [ -0.0002268600000000, 0.0002485400000000, -0.0000635100000000 ] - [ 0.0007962200000000, -0.0002532200000000, 0.0001805700000000 ] - [ -0.0007427100000000, 0.0002856800000000, -0.0005652800000000 ] - [ -0.0001728800000000, 0.0003407100000000, 0.0010261600000000 ] - [ -0.0003624600000000, 0.0000475800000000, -0.0002454100000000 ] - [ 0.0003519800000000, 0.0000416100000000, -0.0002615200000000 ] - [ 0.0002959100000000, 0.0000988300000000, 0.0009034700000000 ] - [ 0.0005666800000000, 0.0002485500000000, -0.0004086600000000 ] - [ -0.0007915800000000, -0.0002027700000000, 0.0001894400000000 ] - [ 0.0001099700000000, 0.0003310300000000, -0.0000882900000000 ] - [ 0.0001087700000000, 0.0000456900000000, 0.0001545700000000 ] - [ -0.0001023300000000, -0.0000728300000000, 0.0001578600000000 ] - [ -0.0000995300000000, -0.0003596200000000, -0.0000865700000000 ] - [ 0.0009332100000000, 0.0002846500000000, 0.0002009600000000 ] - [ -0.0005503600000000, -0.0002781200000000, -0.0004144400000000 ] - [ -0.0002510300000000, -0.0001587000000000, 0.0008949500000000 ] - [ -0.0003519700000000, -0.0000395800000000, -0.0002666800000000 ] - [ 0.0004070800000000, -0.0000492600000000, -0.0002491400000000 ] - [ 0.0003357900000000, -0.0000835700000000, 0.0009108900000000 ] - [ 0.0008241900000000, -0.0002567300000000, -0.0004855200000000 ] - [ -0.0007669600000000, 0.0002471800000000, 0.0001820000000000 ] - [ 0.0001799200000000, -0.0002816800000000, -0.0001227100000000 ] - [ 0.0002708100000000, -0.0000261800000000, 0.0001502500000000 ] - [ -0.0000697400000000, 0.0000386400000000, 0.0001502800000000 ] - [ -0.0000861300000000, 0.0003086000000000, -0.0000829000000000 ] - [ 0.0006552500000000, -0.0002335300000000, -0.0003138200000000 ] - [ -0.0005108600000000, 0.0002470700000000, -0.0003954900000000 ] - [ -0.0002863400000000, 0.0001021600000000, 0.0009085500000000 ] - [ -0.0002949800000000, 0.0000876100000000, 0.0000023500000000 ] - [ -0.0003414500000000, 0.0005841600000000, 0.0013894100000000 ] - [ 0.0002082400000000, 0.0000780200000000, 0.0006410600000000 ] - [ 0.0008721600000000, 0.0003617000000000, 0.0032487500000000 ] - [ -0.0007520600000000, -0.0002162200000000, 0.0001765000000000 ] - [ 0.0050386300000000, 0.0004879000000000, 0.0103693600000000 ] - [ -0.0082461900000000, -0.0184177100000000, 0.0490293300000000 ] - [ -0.0000945200000000, -0.0000124200000000, 0.0001498700000000 ] - [ -0.0001086600000000, -0.0002547800000000, -0.0001027100000000 ] - [ 0.0008036000000000, 0.0002687500000000, 0.0001810400000000 ] - [ -0.0005509300000000, -0.0002104900000000, -0.0003994300000000 ] - [ -0.0002976900000000, -0.0000626500000000, 0.0009131800000000 ] - [ -0.0002968900000000, -0.0000287900000000, -0.0002414200000000 ] - [ 0.0003675800000000, -0.0000240900000000, -0.0002608900000000 ] - [ 0.0003119900000000, -0.0000722900000000, 0.0009135700000000 ] - [ 0.0005725400000000, -0.0002303500000000, -0.0004068200000000 ] - [ -0.0007892400000000, 0.0002687500000000, 0.0001818500000000 ] - [ 0.0001220700000000, -0.0003075500000000, -0.0000872600000000 ] - [ 0.0001122700000000, -0.0000312100000000, 0.0001518300000000 ] - [ -0.0000485300000000, 0.0000130600000000, 0.0000899400000000 ] - [ -0.0001073900000000, 0.0003277900000000, -0.0001045500000000 ] - [ 0.0008027300000000, -0.0002564700000000, 0.0001803900000000 ] - [ -0.0006309900000000, 0.0003209600000000, -0.0002935700000000 ] - [ -0.0000791400000000, 0.0000144300000000, 0.0008656700000000 ] - [ -0.0003534700000000, 0.0000325300000000, -0.0002634700000000 ] - [ 0.0003664000000000, 0.0000543200000000, -0.0002686200000000 ] - [ 0.0002987200000000, 0.0001030900000000, 0.0009133700000000 ] - [ 0.0005735600000000, 0.0002538600000000, -0.0004137100000000 ] - [ -0.0007639000000000, -0.0006695500000000, 0.0000020100000000 ] - [ 0.0001068200000000, 0.0003560000000000, -0.0000864600000000 ] - [ 0.0001123400000000, 0.0000527200000000, 0.0001582800000000 ]- atom: 123 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006208700000000, -0.0001435700000000, -0.0003638300000000 ] - [ -0.0000003800000000, -0.0000074400000000, -0.0004487200000000 ] - [ 0.0000107400000000, 0.0000419700000000, -0.0004759900000000 ] - [ 0.0001924900000000, 0.0001098400000000, -0.0004296800000000 ] - [ 0.0000282500000000, -0.0000445700000000, -0.0004807600000000 ] - [ 0.0000019400000000, 0.0000671400000000, -0.0004605800000000 ] - [ 0.0000073100000000, 0.0000148600000000, -0.0004520500000000 ] - [ -0.0010411500000000, 0.0041763900000000, -0.0062634200000000 ] - [ 0.0454970500000000, 0.0962056400000000, -0.1657872300000000 ] - [ 0.0004467500000000, 0.0003545700000000, -0.0005459700000000 ] - [ 0.0000012300000000, 0.0001382900000000, 0.0003648900000000 ] - [ 0.0001807900000000, -0.0004981200000000, 0.0000826700000000 ] - [ -0.0356077800000000, 0.0126536400000000, -0.0463601100000000 ] - [ 0.0017098900000000, 0.0006924800000000, 0.0017116300000000 ] - [ -0.0001906400000000, -0.0003162200000000, 0.0003147500000000 ] - [ 0.0001794500000000, 0.0000290000000000, -0.0000775400000000 ] - [ -0.0006963000000000, -0.0001347000000000, 0.0007172000000000 ] - [ 0.0000370900000000, -0.0003817400000000, 0.0000096900000000 ] - [ -0.0014261000000000, 0.0007671200000000, -0.0015622600000000 ] - [ -0.0003617600000000, -0.0001299500000000, 0.0000212300000000 ] - [ 0.0001243100000000, -0.0004814000000000, -0.0011442200000000 ] - [ 0.0001826400000000, -0.0003151400000000, -0.0001916300000000 ] - [ -0.0000231300000000, -0.0001589600000000, 0.0003815300000000 ] - [ -0.0000263200000000, 0.0002507100000000, -0.0005759300000000 ] - [ -0.0000812300000000, -0.0000078200000000, -0.0000807400000000 ] - [ 0.0002919500000000, 0.0001437200000000, 0.0002465600000000 ] - [ -0.0003048200000000, 0.0002422000000000, 0.0002734000000000 ] - [ 0.0002079400000000, 0.0000306900000000, -0.0000383900000000 ] - [ 0.0000382300000000, 0.0001753400000000, -0.0005053500000000 ] - [ 0.0000780100000000, -0.0000684800000000, 0.0003021100000000 ] - [ -0.0001764600000000, -0.0003647400000000, -0.0002186900000000 ] - [ -0.0003382900000000, 0.0001315900000000, 0.0000579500000000 ] - [ 0.0003370000000000, -0.0001377900000000, 0.0000619000000000 ] - [ 0.0001910000000000, 0.0003392800000000, -0.0002112800000000 ] - [ -0.0006791000000000, 0.0001448400000000, 0.0012493800000000 ] - [ -0.0000231300000000, -0.0002412300000000, -0.0005678900000000 ] - [ -0.0002432600000000, -0.0000354500000000, -0.0000441400000000 ] - [ 0.0002882000000000, -0.0002190200000000, 0.0002633600000000 ] - [ -0.0002969500000000, -0.0002263000000000, 0.0002733600000000 ] - [ 0.0002146600000000, 0.0000753100000000, -0.0000271300000000 ] - [ 0.0000187200000000, -0.0002353600000000, -0.0005636500000000 ] - [ -0.0000120300000000, 0.0001175200000000, 0.0003495900000000 ] - [ -0.0001960000000000, 0.0003312500000000, -0.0002013500000000 ] - [ -0.0002667200000000, -0.0000748000000000, 0.0001530100000000 ] - [ 0.0003318100000000, 0.0001485200000000, 0.0000707500000000 ] - [ 0.0001507800000000, -0.0002145200000000, -0.0000296600000000 ] - [ 0.0000129200000000, -0.0001104100000000, 0.0003638300000000 ] - [ 0.0000463700000000, 0.0004459600000000, -0.0007312200000000 ] - [ -0.0002419800000000, 0.0000419900000000, -0.0000439700000000 ] - [ 0.0002982300000000, 0.0002416400000000, 0.0002727400000000 ] - [ -0.0003648200000000, 0.0003309100000000, 0.0002801700000000 ] - [ 0.0002158700000000, 0.0000750200000000, -0.0000288300000000 ] - [ 0.0000197100000000, 0.0002507200000000, -0.0005798400000000 ] - [ -0.0000173800000000, -0.0001094900000000, 0.0003389200000000 ] - [ -0.0001882900000000, -0.0003158900000000, -0.0001922300000000 ] - [ -0.0003242500000000, 0.0001579700000000, 0.0000874900000000 ] - [ 0.0003795300000000, -0.0001257600000000, 0.0000257800000000 ] - [ 0.0001932400000000, 0.0002907500000000, -0.0001796300000000 ] - [ 0.0000205700000000, 0.0001061300000000, 0.0003342200000000 ] - [ -0.0000140500000000, -0.0002708200000000, -0.0006041100000000 ] - [ -0.0000992000000000, -0.0000306800000000, -0.0000190500000000 ] - [ 0.0003395100000000, -0.0002548400000000, 0.0002837500000000 ] - [ -0.0002846400000000, -0.0002474600000000, 0.0002715900000000 ] - [ 0.0002651300000000, -0.0000492900000000, -0.0000456900000000 ] - [ 0.0000295200000000, -0.0002608700000000, -0.0006040400000000 ] - [ 0.0000147300000000, 0.0001225100000000, 0.0003642100000000 ] - [ -0.0001658400000000, 0.0002916800000000, -0.0001556300000000 ] - [ -0.0003209100000000, -0.0001487700000000, 0.0000794800000000 ] - [ 0.0002450800000000, 0.0001335500000000, 0.0000546300000000 ] - [ 0.0001971500000000, -0.0003182600000000, -0.0001939100000000 ] - [ 0.0000554100000000, -0.0000907300000000, 0.0003557600000000 ] - [ -0.0000166200000000, 0.0002537500000000, -0.0005774500000000 ] - [ -0.0004939700000000, 0.0001316700000000, -0.0010815700000000 ] - [ 0.0002418300000000, 0.0002509600000000, 0.0007207000000000 ] - [ -0.0002925700000000, 0.0002444700000000, 0.0002700800000000 ] - [ 0.0002884700000000, 0.0000449800000000, -0.0000512800000000 ] - [ 0.0001689400000000, 0.0002398000000000, -0.0005969300000000 ] - [ 0.0000033700000000, -0.0009712000000000, 0.0032942100000000 ] - [ -0.0006084900000000, -0.0005025800000000, -0.0012850300000000 ] - [ -0.0003030600000000, 0.0001847300000000, 0.0000961500000000 ] - [ 0.0003362300000000, -0.0001407000000000, 0.0000637000000000 ] - [ 0.0001959100000000, 0.0003346600000000, -0.0002031300000000 ] - [ 0.0000306300000000, 0.0001233400000000, 0.0003423600000000 ] - [ -0.0000196900000000, -0.0002358900000000, -0.0005609100000000 ] - [ -0.0002335500000000, -0.0000375700000000, -0.0000431400000000 ] - [ 0.0003016100000000, -0.0002362300000000, 0.0002709200000000 ] - [ -0.0002910700000000, -0.0002248400000000, 0.0002653300000000 ] - [ 0.0002567700000000, -0.0000372300000000, -0.0000472600000000 ] - [ 0.0000241700000000, -0.0002431200000000, -0.0005682500000000 ] - [ -0.0000113700000000, 0.0001172100000000, 0.0003479800000000 ] - [ -0.0001880200000000, 0.0003264600000000, -0.0001971300000000 ] - [ -0.0003252900000000, -0.0001500900000000, 0.0000733400000000 ] - [ 0.0003358800000000, 0.0001467100000000, 0.0000670200000000 ] - [ 0.0002107400000000, -0.0003668000000000, -0.0002818100000000 ] - [ 0.0000216500000000, -0.0001122400000000, 0.0003338100000000 ] - [ 0.0000340000000000, 0.0001274200000000, -0.0004794200000000 ] - [ -0.0002376700000000, 0.0000435200000000, -0.0000434500000000 ] - [ 0.0002969900000000, 0.0002412100000000, 0.0002708000000000 ] - [ -0.0001244300000000, 0.0004785900000000, 0.0002821800000000 ] - [ 0.0002959900000000, 0.0000600500000000, -0.0000620100000000 ] - [ 0.0000202500000000, 0.0002554800000000, -0.0005806200000000 ] - [ -0.0000173800000000, -0.0001018000000000, 0.0003345200000000 ] - [ -0.0001875500000000, -0.0003151000000000, -0.0001894100000000 ] - [ -0.0004598900000000, 0.0002069100000000, -0.0000662200000000 ] - [ 0.0136449100000000, 0.0070758600000000, 0.0184717400000000 ] - [ 0.0002718700000000, -0.0006033000000000, -0.0001133800000000 ] - [ 0.0015752300000000, -0.0004366000000000, 0.0043480500000000 ] - [ 0.0004202400000000, 0.0005154700000000, -0.0001220300000000 ] - [ -0.0004213100000000, -0.0005916400000000, -0.0001285000000000 ] - [ 0.0000772600000000, -0.0013517000000000, -0.0003563900000000 ] - [ -0.0004336100000000, 0.0006777600000000, -0.0001357200000000 ] - [ 0.0004092700000000, 0.0007509300000000, -0.0001598400000000 ] - [ 0.0000070100000000, -0.0007188600000000, -0.0001935400000000 ] - [ 0.0004988200000000, -0.0006715300000000, -0.0001334300000000 ] - [ 0.0000400000000000, 0.0007898700000000, -0.0004774000000000 ] - [ 0.0005663700000000, 0.0006879100000000, -0.0002375100000000 ] - [ -0.0004113200000000, -0.0006203800000000, -0.0001316500000000 ] - [ 0.0004333900000000, -0.0006096600000000, -0.0002000500000000 ] - [ -0.0004018900000000, 0.0006772200000000, -0.0001367700000000 ] - [ 0.0003363700000000, 0.0007448500000000, 0.0000254500000000 ] - [ -0.0002061700000000, -0.0001853900000000, 0.0002792300000000 ] - [ -0.0001009800000000, -0.0004509900000000, -0.0000644800000000 ] - [ -0.0195891200000000, -0.1360119100000000, 0.2617255200000000 ] - [ -0.0006204200000000, -0.0003536100000000, -0.0006146300000000 ] - [ -0.0005142700000000, -0.0020067400000000, 0.0001770000000000 ] - [ -0.0003521200000000, -0.0000796700000000, -0.0002569400000000 ] - [ 0.0004614700000000, -0.0000860500000000, 0.0003664100000000 ] - [ 0.0035255700000000, 0.0033409400000000, 0.0003631100000000 ] - [ 0.0009239700000000, -0.0000063300000000, -0.0033945000000000 ] - [ -0.0006889200000000, 0.0002194300000000, 0.0002279700000000 ] - [ 0.0003599000000000, 0.0006437300000000, -0.0007797000000000 ] - [ -0.0093090500000000, -0.0006005100000000, 0.0020331500000000 ] - [ -0.0000628100000000, 0.0000344100000000, 0.0001613700000000 ] - [ -0.0000259500000000, 0.0004106000000000, -0.0001194300000000 ] - [ 0.0007388300000000, 0.0002520300000000, 0.0006883900000000 ] - [ -0.0005053100000000, 0.0002228100000000, -0.0003927900000000 ] - [ -0.0002897600000000, 0.0000884200000000, 0.0009048600000000 ] - [ -0.0003123100000000, 0.0001492800000000, -0.0002513800000000 ] - [ 0.0003146900000000, -0.0000849800000000, -0.0002089100000000 ] - [ 0.0002805600000000, 0.0002307800000000, 0.0008678500000000 ] - [ 0.0003072600000000, 0.0003535500000000, -0.0004001100000000 ] - [ -0.0007846900000000, -0.0002473300000000, 0.0001849900000000 ] - [ -0.0001330700000000, 0.0003623200000000, -0.0000981200000000 ] - [ 0.0000084300000000, 0.0000797700000000, 0.0001894300000000 ] - [ -0.0000321800000000, -0.0000865700000000, 0.0001336000000000 ] - [ 0.0000853900000000, -0.0004300300000000, -0.0005436600000000 ] - [ 0.0008071300000000, 0.0002514200000000, 0.0001904900000000 ] - [ -0.0005852800000000, -0.0002313500000000, -0.0004308500000000 ] - [ -0.0002946500000000, -0.0001234800000000, 0.0009120900000000 ] - [ -0.0006594900000000, -0.0027765300000000, -0.0015840100000000 ] - [ 0.0003693000000000, -0.0000626900000000, -0.0002516400000000 ] - [ 0.0003123700000000, -0.0001116400000000, 0.0009044700000000 ] - [ 0.0005694400000000, -0.0002438400000000, -0.0004047500000000 ] - [ -0.0008633900000000, 0.0001230100000000, 0.0002282600000000 ] - [ 0.0001055900000000, -0.0003661800000000, -0.0000929800000000 ] - [ 0.0001152100000000, -0.0000496900000000, 0.0001426600000000 ] - [ -0.0000287100000000, 0.0000743400000000, -0.0000813400000000 ] - [ 0.0000044500000000, 0.0004179900000000, -0.0001181300000000 ] - [ 0.0008087200000000, -0.0002793300000000, 0.0001905800000000 ] - [ -0.0003765500000000, 0.0001688400000000, -0.0002414300000000 ] - [ -0.0004307100000000, -0.0001707100000000, 0.0007851500000000 ] - [ -0.0003676600000000, 0.0000351200000000, -0.0002584400000000 ] - [ 0.0003768300000000, 0.0000402900000000, -0.0002458000000000 ] - [ 0.0003054600000000, 0.0000786400000000, 0.0009116400000000 ] - [ 0.0005555600000000, 0.0002109000000000, -0.0004015600000000 ] - [ -0.0008155900000000, -0.0003301600000000, 0.0001818200000000 ] - [ 0.0001107800000000, 0.0003419400000000, -0.0000946800000000 ] - [ 0.0001052100000000, 0.0000315700000000, 0.0001376500000000 ] - [ -0.0001133900000000, -0.0000028800000000, 0.0001340900000000 ] - [ -0.0001227900000000, -0.0003111300000000, -0.0000954300000000 ] - [ 0.0006633800000000, 0.0002460900000000, 0.0001692700000000 ] - [ -0.0005751400000000, -0.0001824200000000, -0.0003953000000000 ] - [ -0.0003534400000000, -0.0000170000000000, 0.0009202900000000 ] - [ -0.0003775900000000, -0.0000413100000000, -0.0002415800000000 ] - [ 0.0003194300000000, -0.0000344000000000, -0.0002599800000000 ] - [ 0.0002606900000000, -0.0000934400000000, 0.0009047500000000 ] - [ 0.0002871600000000, -0.0002024800000000, -0.0003238400000000 ] - [ -0.0008392300000000, 0.0002844100000000, 0.0001887900000000 ] - [ 0.0000357800000000, -0.0003960500000000, -0.0000603600000000 ] - [ -0.0000652300000000, -0.0000504800000000, 0.0001430000000000 ] - [ -0.0001447300000000, 0.0000381100000000, 0.0001420200000000 ] - [ -0.0001369600000000, 0.0003591500000000, -0.0000988500000000 ] - [ 0.0009392300000000, -0.0003023900000000, 0.0006901400000000 ] - [ -0.0006107000000000, 0.0002124100000000, -0.0004138400000000 ] - [ -0.0003150300000000, 0.0000749800000000, 0.0009063500000000 ] - [ -0.0004368300000000, -0.0000102200000000, -0.0005111000000000 ] - [ 0.0010521400000000, -0.0004698900000000, -0.0019069800000000 ] - [ 0.0003934400000000, 0.0000876300000000, 0.0011702600000000 ] - [ 0.0002314000000000, 0.0000842600000000, -0.0040811900000000 ] - [ -0.0008512500000000, -0.0003164900000000, 0.0001949900000000 ] - [ -0.0049294900000000, 0.0002156500000000, -0.0107304400000000 ] - [ 0.0082225000000000, 0.0183697900000000, -0.0491203900000000 ] - [ -0.0001222000000000, -0.0000642800000000, 0.0001429400000000 ] - [ -0.0001146400000000, -0.0004170500000000, -0.0000784800000000 ] - [ 0.0007997500000000, 0.0002635400000000, 0.0001909100000000 ] - [ -0.0005755200000000, -0.0002504900000000, -0.0004114400000000 ] - [ -0.0003046500000000, -0.0001145300000000, 0.0009025900000000 ] - [ -0.0004373500000000, -0.0000527700000000, -0.0002650000000000 ] - [ 0.0003604400000000, -0.0000573500000000, -0.0002454200000000 ] - [ 0.0002889900000000, -0.0001046700000000, 0.0009017300000000 ] - [ 0.0005470900000000, -0.0002282600000000, -0.0004016300000000 ] - [ -0.0008169200000000, 0.0002642100000000, 0.0001893300000000 ] - [ 0.0001016100000000, -0.0003617800000000, -0.0000938000000000 ] - [ 0.0001015900000000, -0.0000456900000000, 0.0001394900000000 ] - [ -0.0001676200000000, 0.0000669200000000, 0.0002047000000000 ] - [ -0.0001160800000000, 0.0003435000000000, -0.0000773700000000 ] - [ 0.0008024900000000, -0.0002760400000000, 0.0001898800000000 ] - [ -0.0004951900000000, 0.0001468700000000, -0.0005147800000000 ] - [ -0.0005205700000000, 0.0001693500000000, 0.0009484600000000 ] - [ -0.0003765600000000, 0.0000497600000000, -0.0002440000000000 ] - [ 0.0003636900000000, 0.0000271000000000, -0.0002385000000000 ] - [ 0.0003040300000000, 0.0000756500000000, 0.0009015400000000 ] - [ 0.0005490200000000, 0.0002060400000000, -0.0003962000000000 ] - [ -0.0008390900000000, 0.0001391700000000, 0.0003656000000000 ] - [ 0.0001154200000000, 0.0003148000000000, -0.0000953500000000 ] - [ 0.0001031300000000, 0.0000247900000000, 0.0001343800000000 ]- atom: 124 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013209700000000, -0.0016451300000000, 0.0000586000000000 ] - [ -0.0022196100000000, 0.0007264900000000, -0.0004085600000000 ] - [ 0.0002045300000000, -0.0000958300000000, -0.0005234100000000 ] - [ -0.0004652900000000, -0.0003492100000000, -0.0004775800000000 ] - [ -0.0026145000000000, 0.0021595000000000, -0.0000903800000000 ] - [ 0.0023638100000000, -0.0034811400000000, 0.0009182600000000 ] - [ -0.0001891200000000, -0.0005800800000000, -0.0004080400000000 ] - [ 0.0004783300000000, -0.0003223600000000, -0.0003884000000000 ] - [ 0.0008419100000000, -0.0000339800000000, -0.0003700900000000 ] - [ 0.0029108200000000, 0.0046656700000000, -0.0018902600000000 ] - [ 0.0021425100000000, -0.0013749200000000, -0.0026478300000000 ] - [ 0.0096035600000000, -0.0073266600000000, -0.0112512800000000 ] - [ 0.0003060700000000, -0.0004820500000000, -0.0000622100000000 ] - [ 0.0005158100000000, -0.0005600200000000, 0.0004046000000000 ] - [ 0.0002856600000000, -0.0099014100000000, 0.0077052000000000 ] - [ 0.0079830700000000, 0.0002666000000000, -0.0004387000000000 ] - [ 0.0000741900000000, -0.0005259400000000, -0.0008832800000000 ] - [ -0.0012879800000000, -0.0015915600000000, -0.0016068600000000 ] - [ -0.0000264000000000, -0.0000404100000000, 0.0000493500000000 ] - [ -0.0003375100000000, 0.0003233700000000, 0.0018361700000000 ] - [ 0.0002543700000000, -0.0002697100000000, -0.0000248800000000 ] - [ -0.0000800900000000, 0.0009262600000000, 0.0007726400000000 ] - [ -0.0013737400000000, -0.0008179500000000, 0.0013899500000000 ] - [ -0.0000069300000000, 0.0017175200000000, -0.0024073200000000 ] - [ -0.0009072100000000, 0.0000126900000000, -0.0001405900000000 ] - [ -0.0003182800000000, -0.0004607400000000, -0.0000793200000000 ] - [ -0.0010943300000000, 0.0018476800000000, 0.0011313700000000 ] - [ -0.0017547400000000, -0.0000510100000000, 0.0003822300000000 ] - [ -0.0002347400000000, -0.0000654000000000, -0.0003555000000000 ] - [ -0.0000921900000000, -0.0002070600000000, 0.0003769200000000 ] - [ -0.0005591900000000, -0.0005323500000000, -0.0003954600000000 ] - [ -0.0009805800000000, -0.0000969700000000, -0.0003574800000000 ] - [ 0.0004359400000000, -0.0002505400000000, -0.0000124000000000 ] - [ 0.0001804800000000, 0.0001916800000000, -0.0001073300000000 ] - [ 0.0001390700000000, -0.0000168800000000, 0.0001797700000000 ] - [ 0.0000104800000000, -0.0003640400000000, -0.0007401600000000 ] - [ 0.0004639100000000, 0.0001034500000000, -0.0000381000000000 ] - [ 0.0009340800000000, -0.0007599200000000, 0.0005030000000000 ] - [ -0.0002711100000000, -0.0003164800000000, 0.0002872200000000 ] - [ 0.0003705600000000, -0.0001104600000000, -0.0000582600000000 ] - [ 0.0002746300000000, -0.0002300900000000, 0.0004306100000000 ] - [ 0.0000910800000000, 0.0001494300000000, 0.0004383900000000 ] - [ -0.0002212600000000, 0.0007332100000000, -0.0005310300000000 ] - [ -0.0002887000000000, -0.0002301100000000, 0.0001421300000000 ] - [ 0.0003735600000000, 0.0002473300000000, 0.0000694800000000 ] - [ 0.0002635100000000, -0.0005035100000000, -0.0003347200000000 ] - [ -0.0000074000000000, -0.0001772100000000, 0.0004135700000000 ] - [ -0.0000283300000000, 0.0000625000000000, -0.0003306100000000 ] - [ -0.0003803600000000, 0.0001390000000000, -0.0000904400000000 ] - [ 0.0002652900000000, 0.0002038800000000, 0.0002506500000000 ] - [ -0.0002767700000000, 0.0000777500000000, 0.0002229900000000 ] - [ 0.0001690400000000, -0.0000300100000000, -0.0000483800000000 ] - [ -0.0000093500000000, 0.0002232300000000, -0.0005455100000000 ] - [ -0.0004271400000000, 0.0003090500000000, -0.0001360100000000 ] - [ -0.0002383500000000, -0.0003438900000000, -0.0002123300000000 ] - [ -0.0003929300000000, 0.0000806900000000, -0.0000136300000000 ] - [ 0.0001034600000000, -0.0002687200000000, 0.0002892800000000 ] - [ -0.0003058100000000, 0.0001811300000000, -0.0000602700000000 ] - [ -0.0006497300000000, 0.0004232100000000, 0.0008263500000000 ] - [ -0.0003694600000000, -0.0002103000000000, -0.0006239000000000 ] - [ -0.0006825300000000, -0.0000112200000000, -0.0000902100000000 ] - [ 0.0001967300000000, -0.0001809100000000, 0.0002260400000000 ] - [ -0.0008124600000000, -0.0003535100000000, 0.0004119400000000 ] - [ -0.0018665800000000, 0.0001499800000000, 0.0002371700000000 ] - [ -0.0000181100000000, -0.0002010500000000, -0.0005157200000000 ] - [ -0.0002047400000000, 0.0003389500000000, 0.0004119600000000 ] - [ -0.0002663000000000, 0.0004174000000000, -0.0002559000000000 ] - [ -0.0011451600000000, 0.0002772600000000, -0.0006403500000000 ] - [ 0.0001789500000000, 0.0003183900000000, 0.0003411300000000 ] - [ -0.0001233800000000, -0.0007334600000000, -0.0004071000000000 ] - [ -0.0001489300000000, 0.0003165800000000, -0.0001116200000000 ] - [ -0.0001754800000000, -0.0008678400000000, 0.0007404500000000 ] - [ 0.0002660000000000, 0.0004360700000000, 0.0001766900000000 ] - [ 0.0008599900000000, 0.0013777500000000, 0.0006719700000000 ] - [ 0.0000622900000000, -0.0009530400000000, -0.0002722100000000 ] - [ -0.0018424100000000, 0.0003516600000000, 0.0000943900000000 ] - [ 0.0011233300000000, 0.0015852500000000, -0.0029925400000000 ] - [ 0.0000931500000000, -0.0001327200000000, 0.0004368200000000 ] - [ 0.0010239600000000, 0.0016931000000000, 0.0011620500000000 ] - [ -0.0005016400000000, -0.0005981400000000, -0.0014920700000000 ] - [ 0.0001802600000000, -0.0001658200000000, 0.0002142900000000 ] - [ 0.0001329600000000, 0.0002351700000000, -0.0001402100000000 ] - [ -0.0000314600000000, 0.0000706000000000, 0.0003333600000000 ] - [ -0.0000593700000000, -0.0003438700000000, -0.0006450300000000 ] - [ -0.0008175600000000, -0.0001979800000000, -0.0000939200000000 ] - [ -0.0000483600000000, -0.0002004000000000, 0.0002108200000000 ] - [ -0.0004040200000000, -0.0003984400000000, 0.0003353000000000 ] - [ 0.0001264100000000, -0.0000626100000000, -0.0000313000000000 ] - [ -0.0001301300000000, -0.0005504500000000, -0.0010220200000000 ] - [ -0.0001697900000000, -0.0000762500000000, 0.0001135300000000 ] - [ -0.0004113100000000, -0.0001824200000000, 0.0000089000000000 ] - [ -0.0003383600000000, -0.0001814700000000, 0.0000793900000000 ] - [ 0.0002980300000000, -0.0000326600000000, 0.0000051100000000 ] - [ 0.0001845100000000, -0.0003534300000000, -0.0002044800000000 ] - [ -0.0000414700000000, -0.0002325600000000, 0.0004531900000000 ] - [ -0.0000146700000000, 0.0002150000000000, -0.0005722300000000 ] - [ -0.0001590100000000, -0.0001497800000000, -0.0000188700000000 ] - [ 0.0002381000000000, 0.0000260700000000, 0.0001968800000000 ] - [ -0.0002627200000000, 0.0001796600000000, 0.0002505000000000 ] - [ 0.0002827800000000, 0.0000162300000000, -0.0000438300000000 ] - [ 0.0000423100000000, 0.0000436200000000, -0.0003462900000000 ] - [ 0.0003359000000000, -0.0007947000000000, 0.0008727600000000 ] - [ -0.0002184000000000, -0.0005315600000000, -0.0003312200000000 ] - [ -0.0003186600000000, 0.0000856200000000, 0.0000520600000000 ] - [ 0.0033270300000000, -0.0013586800000000, 0.0002744900000000 ] - [ -0.0089516200000000, 0.0099602700000000, -0.0024004400000000 ] - [ -0.0008357600000000, -0.0021409700000000, -0.0000317700000000 ] - [ -0.0053947700000000, -0.0009078000000000, -0.0011424500000000 ] - [ 0.0007703000000000, -0.0021678800000000, -0.0002785600000000 ] - [ 0.0005932000000000, -0.0013578400000000, -0.0001931300000000 ] - [ 0.0003752700000000, 0.0019386300000000, -0.0004023300000000 ] - [ 0.0001210700000000, 0.0002167200000000, -0.0001081400000000 ] - [ -0.0021720500000000, -0.0010284500000000, -0.0000611000000000 ] - [ -0.0073628600000000, 0.0026102400000000, -0.0027028700000000 ] - [ -0.0005852500000000, 0.0020730800000000, -0.0003603400000000 ] - [ 0.1721324000000000, 0.0733864400000000, 0.0652922600000000 ] - [ -0.0014102500000000, -0.0005550400000000, -0.0000996400000000 ] - [ 0.0002906000000000, -0.0009928800000000, -0.0001616600000000 ] - [ -0.0012312600000000, -0.0013397200000000, 0.0001430200000000 ] - [ 0.0006566600000000, 0.0000263400000000, -0.0000602200000000 ] - [ -0.0118396600000000, -0.0032419000000000, 0.0079732900000000 ] - [ -0.0119510500000000, 0.0037700300000000, -0.0014356600000000 ] - [ -0.0000826200000000, 0.0005923300000000, 0.0002476400000000 ] - [ -0.1726713600000000, -0.0786034300000000, -0.0722088100000000 ] - [ -0.0074831900000000, 0.0035322600000000, 0.0101257800000000 ] - [ -0.0029445700000000, 0.0009557900000000, 0.0015444400000000 ] - [ 0.0041700400000000, 0.0120875800000000, -0.0075311600000000 ] - [ 0.0001262300000000, 0.0004422100000000, 0.0009586800000000 ] - [ -0.0002854200000000, 0.0005445400000000, -0.0000415200000000 ] - [ -0.0055884700000000, 0.0003281000000000, 0.0005124200000000 ] - [ 0.0010147600000000, 0.0019486000000000, 0.0006675100000000 ] - [ -0.0001429300000000, 0.0007878000000000, -0.0000671400000000 ] - [ 0.0018361400000000, -0.0018591200000000, -0.0025164400000000 ] - [ 0.0056902200000000, -0.0004784700000000, 0.0023287400000000 ] - [ 0.0015466800000000, 0.0004778100000000, 0.0001200300000000 ] - [ 0.0077528300000000, -0.0023142700000000, 0.0016666800000000 ] - [ 0.0000225700000000, -0.0019291400000000, 0.0014258100000000 ] - [ 0.0012378900000000, 0.0008221800000000, -0.0007264600000000 ] - [ 0.0005138700000000, 0.0003177100000000, -0.0002700400000000 ] - [ 0.0014257100000000, 0.0003406300000000, 0.0009981100000000 ] - [ 0.0017079600000000, 0.0009193100000000, -0.0005603600000000 ] - [ 0.0011037700000000, -0.0002611400000000, -0.0000589900000000 ] - [ 0.0004253600000000, 0.0006737100000000, -0.0000582100000000 ] - [ 0.0008923100000000, 0.0002623700000000, 0.0002988900000000 ] - [ -0.0001798600000000, 0.0001470300000000, 0.0001001200000000 ] - [ -0.0003270500000000, 0.0000192800000000, -0.0000639000000000 ] - [ -0.0000251100000000, 0.0006122500000000, 0.0002114400000000 ] - [ -0.0006770300000000, -0.0000092700000000, -0.0003737300000000 ] - [ -0.0005008000000000, 0.0003378300000000, 0.0009834800000000 ] - [ -0.0006368600000000, 0.0002983800000000, -0.0002482100000000 ] - [ 0.0001780900000000, 0.0000541500000000, -0.0003144800000000 ] - [ -0.0018791400000000, -0.0029187000000000, -0.0003425300000000 ] - [ -0.0002835000000000, -0.0004109000000000, -0.0007297900000000 ] - [ -0.0009311700000000, 0.0004271200000000, 0.0001962300000000 ] - [ -0.0002222000000000, -0.0006293800000000, -0.0000606400000000 ] - [ -0.0002866700000000, -0.0004334400000000, 0.0002530900000000 ] - [ -0.0001675200000000, 0.0002641100000000, 0.0002096400000000 ] - [ -0.0000612100000000, 0.0006079200000000, -0.0000732400000000 ] - [ 0.0007967100000000, -0.0004265200000000, 0.0002381800000000 ] - [ -0.0006285100000000, 0.0005667900000000, -0.0004907800000000 ] - [ -0.0001631600000000, 0.0007012300000000, 0.0008366300000000 ] - [ -0.0003341700000000, 0.0001177200000000, -0.0002878600000000 ] - [ 0.0013807100000000, -0.0013037700000000, -0.0005418700000000 ] - [ 0.0003599300000000, 0.0001434400000000, 0.0009045500000000 ] - [ 0.0008354300000000, 0.0002253500000000, -0.0004470400000000 ] - [ -0.0006828400000000, -0.0000964400000000, 0.0001814300000000 ] - [ 0.0007070500000000, -0.0001851200000000, 0.0000944600000000 ] - [ 0.0003595300000000, -0.0000195200000000, 0.0000836000000000 ] - [ 0.0018941300000000, 0.0000539000000000, 0.0000804800000000 ] - [ 0.0018111700000000, -0.0004957400000000, 0.0000631400000000 ] - [ 0.0013127600000000, 0.0003909900000000, 0.0001993600000000 ] - [ 0.0027393500000000, -0.0002616400000000, 0.0004061900000000 ] - [ 0.0007597400000000, -0.0003907700000000, 0.0009070100000000 ] - [ 0.0007988100000000, -0.0001399500000000, -0.0004753700000000 ] - [ 0.0012504600000000, -0.0003380200000000, -0.0005138000000000 ] - [ 0.0004713600000000, -0.0000797600000000, 0.0009076900000000 ] - [ 0.0011751800000000, -0.0004747400000000, -0.0006248900000000 ] - [ 0.0014485400000000, -0.0004852400000000, -0.0000821700000000 ] - [ 0.0002842800000000, -0.0013415100000000, 0.0000841700000000 ] - [ 0.0004353800000000, -0.0003443200000000, 0.0002193100000000 ] - [ 0.0016653000000000, 0.0000501300000000, 0.0011097600000000 ] - [ 0.0016742000000000, -0.0010303800000000, 0.0006361900000000 ] - [ 0.0008009000000000, -0.0011033200000000, 0.0000057100000000 ] - [ 0.0076613700000000, 0.0031137400000000, 0.0031245000000000 ] - [ 0.0002446800000000, 0.0018650100000000, 0.0002500400000000 ] - [ 0.0000312500000000, -0.0015057300000000, -0.0004210300000000 ] - [ 0.0001719000000000, 0.0000573300000000, -0.0002840900000000 ] - [ 0.0021818600000000, -0.0045715700000000, 0.0030246500000000 ] - [ -0.0012617100000000, -0.0013604000000000, 0.0006586700000000 ] - [ 0.0012933500000000, 0.0017284900000000, -0.0001219100000000 ] - [ -0.0005677100000000, 0.0002095400000000, -0.0002698300000000 ] - [ -0.0014193100000000, -0.0006897800000000, -0.0003881500000000 ] - [ 0.0000333300000000, 0.0000832800000000, 0.0001176800000000 ] - [ -0.0000565800000000, -0.0000919700000000, -0.0001180700000000 ] - [ 0.0014638900000000, 0.0003051300000000, 0.0001997200000000 ] - [ -0.0003313100000000, -0.0000308500000000, -0.0003564500000000 ] - [ -0.0001419300000000, 0.0000142200000000, 0.0009048500000000 ] - [ -0.0001824100000000, -0.0000010600000000, -0.0002035300000000 ] - [ 0.0005829500000000, 0.0002159100000000, -0.0001534000000000 ] - [ 0.0016302200000000, 0.0009809800000000, 0.0012141800000000 ] - [ 0.0011739100000000, 0.0002128100000000, -0.0003220200000000 ] - [ -0.0007024100000000, 0.0003900200000000, 0.0001755900000000 ] - [ 0.0005554700000000, 0.0004253700000000, -0.0000960600000000 ] - [ 0.0004750900000000, 0.0004881300000000, 0.0000618600000000 ] - [ -0.0001228700000000, 0.0001242500000000, 0.0001914900000000 ] - [ -0.0000079900000000, 0.0006191100000000, -0.0000979300000000 ] - [ 0.0008443100000000, 0.0001484300000000, 0.0001337500000000 ] - [ -0.0006275600000000, 0.0003467700000000, -0.0004199000000000 ] - [ -0.0003963000000000, 0.0000127900000000, 0.0009234100000000 ] - [ -0.0002957800000000, 0.0003190900000000, -0.0002872100000000 ] - [ -0.0001126600000000, 0.0015377200000000, -0.0003197500000000 ] - [ 0.0002533600000000, 0.0005216900000000, 0.0008488300000000 ] - [ 0.0005396200000000, 0.0008146200000000, -0.0005236100000000 ] - [ -0.0008861400000000, -0.0001361200000000, 0.0001751300000000 ] - [ -0.0006590300000000, 0.0020010700000000, -0.0001850900000000 ] - [ -0.0000391300000000, 0.0004795600000000, 0.0004239700000000 ]- atom: 124 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013659800000000, 0.0016199400000000, -0.0009852800000000 ] - [ 0.0022145500000000, -0.0007229100000000, -0.0005038300000000 ] - [ -0.0002043600000000, 0.0001041900000000, -0.0003901600000000 ] - [ 0.0004672500000000, 0.0003525300000000, -0.0004363800000000 ] - [ 0.0026095200000000, -0.0021783900000000, -0.0008275500000000 ] - [ -0.0023576600000000, 0.0034785500000000, -0.0018319900000000 ] - [ 0.0001884200000000, 0.0005868600000000, -0.0005050300000000 ] - [ -0.0004800800000000, 0.0003341300000000, -0.0005240600000000 ] - [ -0.0001729800000000, -0.0002506700000000, 0.0004980700000000 ] - [ -0.0025615700000000, -0.0040684500000000, 0.0015377900000000 ] - [ -0.0021152000000000, 0.0016006200000000, 0.0033487400000000 ] - [ -0.0093828700000000, 0.0069901100000000, 0.0103490100000000 ] - [ -0.0007777600000000, 0.0004057300000000, -0.0000267000000000 ] - [ 0.0000857000000000, 0.0000800000000000, 0.0001390900000000 ] - [ -0.0007253600000000, 0.0094476300000000, -0.0071649100000000 ] - [ -0.0075179200000000, -0.0003547700000000, 0.0003426300000000 ] - [ -0.0000294600000000, 0.0000335100000000, -0.0002622500000000 ] - [ 0.0012701900000000, 0.0018247800000000, 0.0023260200000000 ] - [ -0.0003521000000000, 0.0006853300000000, -0.0004401600000000 ] - [ -0.0003236600000000, -0.0006191100000000, -0.0016902000000000 ] - [ 0.0004172400000000, 0.0005597100000000, 0.0001540300000000 ] - [ 0.0004577800000000, -0.0015642100000000, -0.0011566500000000 ] - [ 0.0013992800000000, 0.0005806300000000, -0.0006917300000000 ] - [ -0.0000363500000000, -0.0012143600000000, 0.0012481600000000 ] - [ 0.0004385600000000, 0.0000651800000000, 0.0000515600000000 ] - [ 0.0009225100000000, 0.0009417900000000, 0.0006239700000000 ] - [ 0.0004885100000000, -0.0013548900000000, -0.0005807600000000 ] - [ 0.0022205500000000, 0.0001257300000000, -0.0004696100000000 ] - [ 0.0002795700000000, 0.0005577200000000, -0.0007900500000000 ] - [ 0.0000670000000000, -0.0000219400000000, 0.0003165200000000 ] - [ 0.0001812700000000, -0.0001119000000000, 0.0000048400000000 ] - [ 0.0003105600000000, 0.0003821700000000, 0.0004865200000000 ] - [ 0.0002340600000000, -0.0000365900000000, 0.0001417200000000 ] - [ 0.0001986600000000, 0.0004525800000000, -0.0002831100000000 ] - [ -0.0001139400000000, 0.0002485000000000, 0.0005157500000000 ] - [ -0.0000545700000000, -0.0001291500000000, -0.0004060500000000 ] - [ -0.0009374300000000, -0.0001816000000000, -0.0000517700000000 ] - [ -0.0003309600000000, 0.0002781700000000, 0.0000422700000000 ] - [ -0.0003297300000000, -0.0001640000000000, 0.0002563300000000 ] - [ 0.0001048100000000, 0.0000318200000000, -0.0000315900000000 ] - [ -0.0002316800000000, -0.0002623300000000, -0.0015752100000000 ] - [ -0.0001161200000000, 0.0000817700000000, 0.0002567700000000 ] - [ -0.0001564300000000, -0.0000872800000000, 0.0001408400000000 ] - [ -0.0003806900000000, -0.0000569600000000, -0.0000126200000000 ] - [ 0.0002952700000000, 0.0000426900000000, 0.0000620400000000 ] - [ 0.0001143900000000, -0.0001360700000000, -0.0000525600000000 ] - [ 0.0000347800000000, -0.0000498000000000, 0.0002771000000000 ] - [ -0.0000156000000000, 0.0004352000000000, -0.0008209300000000 ] - [ -0.0000955800000000, -0.0000581600000000, 0.0000006100000000 ] - [ 0.0003374700000000, 0.0002813300000000, 0.0002945000000000 ] - [ -0.0003253100000000, 0.0004073200000000, 0.0003221800000000 ] - [ 0.0003072700000000, 0.0001105600000000, -0.0000415100000000 ] - [ 0.0000537700000000, 0.0002742400000000, -0.0006052600000000 ] - [ 0.0003993600000000, -0.0005354600000000, 0.0008265300000000 ] - [ -0.0001393800000000, -0.0002961500000000, -0.0001753800000000 ] - [ -0.0002757100000000, 0.0002086500000000, 0.0001449400000000 ] - [ 0.0005662000000000, -0.0000202400000000, -0.0001588900000000 ] - [ 0.0006832900000000, 0.0004559000000000, -0.0003255200000000 ] - [ 0.0006746000000000, -0.0001937000000000, -0.0001324700000000 ] - [ 0.0003257800000000, -0.0002899900000000, -0.0005294300000000 ] - [ 0.0002059600000000, -0.0000688700000000, 0.0000000700000000 ] - [ 0.0004047400000000, -0.0003011000000000, 0.0003180200000000 ] - [ 0.0002088900000000, -0.0001353500000000, 0.0001346900000000 ] - [ 0.0023409900000000, -0.0002307400000000, -0.0003265200000000 ] - [ 0.0000621600000000, -0.0002934800000000, -0.0006317500000000 ] - [ 0.0001768500000000, -0.0001125500000000, 0.0002789200000000 ] - [ -0.0001126900000000, 0.0002255300000000, -0.0001337000000000 ] - [ 0.0004785300000000, -0.0005677100000000, 0.0007715200000000 ] - [ 0.0004888800000000, -0.0000295300000000, -0.0002095500000000 ] - [ 0.0005015400000000, 0.0000927600000000, 0.0000184900000000 ] - [ 0.0001689800000000, -0.0005531400000000, 0.0008143100000000 ] - [ 0.0001302200000000, 0.0013676600000000, -0.0018918500000000 ] - [ -0.0007515000000000, -0.0003564600000000, -0.0002688900000000 ] - [ -0.0002665400000000, -0.0008968300000000, -0.0001273700000000 ] - [ -0.0006661700000000, 0.0014389500000000, 0.0008172700000000 ] - [ 0.0023167400000000, -0.0002790500000000, -0.0001822100000000 ] - [ -0.0010963400000000, -0.0010851800000000, 0.0018550400000000 ] - [ -0.0001216900000000, -0.0000927700000000, 0.0002518200000000 ] - [ -0.0014298600000000, -0.0023202600000000, -0.0015595200000000 ] - [ -0.0001767100000000, 0.0008658600000000, 0.0016218100000000 ] - [ 0.0004890700000000, -0.0001213700000000, -0.0000842700000000 ] - [ 0.0002460500000000, 0.0004087900000000, -0.0002500800000000 ] - [ 0.0000572500000000, 0.0001596600000000, 0.0003609300000000 ] - [ 0.0000152000000000, -0.0001496200000000, -0.0005013200000000 ] - [ 0.0003423300000000, 0.0001188600000000, 0.0000042400000000 ] - [ 0.0006500400000000, -0.0002816000000000, 0.0003333400000000 ] - [ -0.0001972100000000, -0.0000826100000000, 0.0002084400000000 ] - [ 0.0003487500000000, -0.0000163500000000, -0.0000586000000000 ] - [ 0.0001743100000000, 0.0000560900000000, -0.0001254600000000 ] - [ 0.0001442900000000, 0.0003069200000000, 0.0005809300000000 ] - [ 0.0000331000000000, 0.0008262200000000, -0.0003982500000000 ] - [ -0.0003313000000000, -0.0001057700000000, 0.0000500300000000 ] - [ 0.0003708400000000, 0.0003219400000000, 0.0001262200000000 ] - [ 0.0001929300000000, -0.0002865500000000, -0.0001830600000000 ] - [ 0.0000683700000000, 0.0000050900000000, 0.0002381200000000 ] - [ -0.0000300100000000, 0.0002827200000000, -0.0005784300000000 ] - [ -0.0003160800000000, 0.0002301100000000, -0.0000707700000000 ] - [ 0.0003647400000000, 0.0004591700000000, 0.0003483700000000 ] - [ -0.0003408900000000, 0.0003067200000000, 0.0002952600000000 ] - [ 0.0001921700000000, 0.0000641400000000, -0.0000460300000000 ] - [ 0.0000022000000000, 0.0004537700000000, -0.0008045500000000 ] - [ -0.0003621500000000, 0.0005656800000000, -0.0001803200000000 ] - [ -0.0001591300000000, -0.0001084700000000, -0.0000564100000000 ] - [ -0.0003500600000000, 0.0002039000000000, 0.0000791000000000 ] - [ -0.0041859000000000, 0.0001219900000000, -0.0005207500000000 ] - [ 0.0096639400000000, -0.0113308000000000, 0.0021147800000000 ] - [ 0.0000108900000000, 0.0034451100000000, -0.0002278900000000 ] - [ 0.0062108900000000, 0.0021630100000000, 0.0008794100000000 ] - [ -0.0016050400000000, 0.0008895300000000, 0.0000202900000000 ] - [ 0.0002460600000000, 0.0000810800000000, -0.0000646900000000 ] - [ -0.0012135000000000, -0.0006344500000000, 0.0001419400000000 ] - [ 0.0007188400000000, 0.0010813900000000, -0.0001517300000000 ] - [ 0.0013373200000000, -0.0002673100000000, -0.0001984000000000 ] - [ 0.0082115900000000, -0.0039145800000000, 0.0024567300000000 ] - [ -0.0002652100000000, -0.0007836300000000, 0.0001029000000000 ] - [ -0.1782500100000000, -0.0768038600000000, -0.0697887900000000 ] - [ 0.0005710800000000, -0.0007229500000000, -0.0001586500000000 ] - [ 0.0005456300000000, -0.0002872200000000, -0.0000969600000000 ] - [ 0.0003921800000000, 0.0026371800000000, -0.0004027900000000 ] - [ 0.0001816700000000, 0.0012743900000000, -0.0001999200000000 ] - [ 0.0118237500000000, 0.0032856600000000, -0.0077215200000000 ] - [ 0.0119499800000000, -0.0044837200000000, 0.0013295000000000 ] - [ 0.0016821700000000, -0.0000712300000000, 0.0001120800000000 ] - [ 0.1778013200000000, 0.0827924000000000, 0.0756465400000000 ] - [ 0.0067934100000000, -0.0038327300000000, -0.0085571600000000 ] - [ 0.0022218200000000, -0.0010280500000000, -0.0020716900000000 ] - [ -0.0035259500000000, -0.0121155800000000, 0.0069545300000000 ] - [ 0.0004772700000000, -0.0006112900000000, 0.0008630000000000 ] - [ 0.0014170600000000, -0.0010262000000000, -0.0007743900000000 ] - [ 0.0039910400000000, 0.0002294800000000, -0.0001473200000000 ] - [ -0.0008009400000000, -0.0026080900000000, -0.0008516900000000 ] - [ 0.0003571700000000, -0.0008710300000000, 0.0003748500000000 ] - [ -0.0020310700000000, 0.0019307700000000, 0.0028052300000000 ] - [ -0.0058177500000000, 0.0012074200000000, -0.0024676600000000 ] - [ 0.0000447500000000, -0.0010080000000000, 0.0002411100000000 ] - [ -0.0087749700000000, 0.0027786800000000, -0.0024566800000000 ] - [ -0.0006261600000000, 0.0020811800000000, 0.0003997900000000 ] - [ -0.0019661500000000, -0.0007389000000000, 0.0001985900000000 ] - [ 0.0002055000000000, -0.0002479100000000, -0.0002538500000000 ] - [ -0.0008266100000000, -0.0001672400000000, 0.0008243200000000 ] - [ -0.0005774800000000, -0.0004405800000000, -0.0002563700000000 ] - [ -0.0026968600000000, -0.0002633500000000, 0.0004187000000000 ] - [ -0.0001991700000000, -0.0000264600000000, -0.0001177100000000 ] - [ -0.0006778300000000, -0.0001817800000000, 0.0000078900000000 ] - [ -0.0000376300000000, -0.0002282500000000, 0.0002077700000000 ] - [ 0.0001010700000000, -0.0006727000000000, -0.0001122300000000 ] - [ 0.0016239700000000, -0.0000863600000000, 0.0001498800000000 ] - [ -0.0004600400000000, -0.0004709000000000, -0.0004438000000000 ] - [ -0.0001036200000000, -0.0005050600000000, 0.0008384200000000 ] - [ -0.0000826000000000, -0.0003759400000000, -0.0002764400000000 ] - [ 0.0005416500000000, -0.0001305800000000, -0.0002088000000000 ] - [ 0.0024788000000000, 0.0027376500000000, 0.0021600000000000 ] - [ 0.0014189500000000, -0.0000700700000000, -0.0000892500000000 ] - [ -0.0006684400000000, 0.0000982000000000, 0.0001645700000000 ] - [ 0.0004484000000000, -0.0000242500000000, -0.0001152000000000 ] - [ 0.0005047100000000, 0.0003504200000000, 0.0000551600000000 ] - [ -0.0000489800000000, -0.0001897200000000, 0.0000957600000000 ] - [ -0.0001687200000000, 0.0000315700000000, -0.0001024700000000 ] - [ 0.0008042500000000, -0.0001057800000000, 0.0001234800000000 ] - [ -0.0005059400000000, -0.0000964400000000, -0.0003242100000000 ] - [ -0.0004433000000000, -0.0005452700000000, 0.0009866500000000 ] - [ -0.0003867400000000, -0.0000490600000000, -0.0002334400000000 ] - [ -0.0006559200000000, 0.0013677300000000, 0.0000169300000000 ] - [ 0.0002450900000000, 0.0000134400000000, 0.0009180900000000 ] - [ 0.0002995300000000, 0.0002449500000000, -0.0003692100000000 ] - [ -0.0009182400000000, -0.0004348000000000, 0.0001799000000000 ] - [ -0.0004764500000000, 0.0008246300000000, -0.0002701300000000 ] - [ -0.0001428800000000, 0.0000939500000000, 0.0002224200000000 ] - [ -0.0021086300000000, -0.0001245300000000, 0.0002232500000000 ] - [ -0.0020331000000000, -0.0001447500000000, -0.0002375500000000 ] - [ 0.0002878200000000, 0.0001383200000000, 0.0001616000000000 ] - [ -0.0038658600000000, -0.0002034200000000, -0.0012199000000000 ] - [ -0.0013644500000000, 0.0002378400000000, 0.0009166000000000 ] - [ -0.0015178700000000, 0.0000662400000000, -0.0000469300000000 ] - [ -0.0005270900000000, 0.0002723100000000, -0.0000091700000000 ] - [ 0.0001333500000000, -0.0000849600000000, 0.0009144700000000 ] - [ -0.0000365600000000, -0.0000015100000000, -0.0001923400000000 ] - [ -0.0030502300000000, 0.0010201400000000, 0.0004430000000000 ] - [ -0.0000518800000000, 0.0006999200000000, -0.0002601600000000 ] - [ -0.0002151900000000, 0.0002658300000000, 0.0000870400000000 ] - [ -0.0018793000000000, 0.0000301100000000, -0.0008093100000000 ] - [ -0.0019080500000000, 0.0016967900000000, -0.0008235500000000 ] - [ 0.0008068300000000, 0.0005754500000000, 0.0003569200000000 ] - [ -0.0088655500000000, -0.0026864100000000, -0.0039654200000000 ] - [ -0.0008481600000000, -0.0017062500000000, 0.0015734100000000 ] - [ -0.0007370700000000, 0.0015868100000000, -0.0001049400000000 ] - [ 0.0005520500000000, 0.0000091100000000, -0.0002373600000000 ] - [ -0.0015743700000000, 0.0047627000000000, -0.0012318000000000 ] - [ 0.0024104900000000, 0.0018339100000000, -0.0014810800000000 ] - [ -0.0028945000000000, -0.0022525500000000, 0.0005014900000000 ] - [ 0.0008045800000000, 0.0004223400000000, 0.0000936400000000 ] - [ 0.0016469800000000, 0.0007548300000000, 0.0006919800000000 ] - [ -0.0002514700000000, -0.0001637000000000, 0.0001897300000000 ] - [ -0.0001708300000000, -0.0005580700000000, -0.0000580900000000 ] - [ 0.0001365600000000, 0.0002208700000000, 0.0001617500000000 ] - [ -0.0008054200000000, -0.0004484200000000, -0.0004608100000000 ] - [ -0.0004629700000000, -0.0001815200000000, 0.0009170300000000 ] - [ -0.0005377000000000, -0.0000735100000000, -0.0003205800000000 ] - [ 0.0001367900000000, -0.0002915000000000, -0.0003701400000000 ] - [ -0.0010268700000000, -0.0011468200000000, 0.0006069000000000 ] - [ -0.0000378700000000, -0.0006912000000000, -0.0004950600000000 ] - [ -0.0008972400000000, 0.0001359300000000, 0.0001853300000000 ] - [ -0.0003285600000000, -0.0010769100000000, -0.0000800900000000 ] - [ -0.0002571700000000, -0.0005687200000000, 0.0002454300000000 ] - [ -0.0000929100000000, -0.0000496500000000, 0.0001144800000000 ] - [ -0.0002211900000000, 0.0000207100000000, -0.0000779000000000 ] - [ 0.0007561100000000, -0.0006800900000000, 0.0002271900000000 ] - [ -0.0005052500000000, 0.0001236500000000, -0.0003957500000000 ] - [ -0.0002060800000000, 0.0001454700000000, 0.0008989400000000 ] - [ -0.0004250700000000, -0.0002503400000000, -0.0002352200000000 ] - [ 0.0008339200000000, -0.0014676600000000, -0.0002017700000000 ] - [ 0.0003520900000000, -0.0003648000000000, 0.0009740600000000 ] - [ 0.0005939200000000, -0.0003438800000000, -0.0002917800000000 ] - [ -0.0007132400000000, -0.0003963700000000, 0.0001855600000000 ] - [ 0.0008871200000000, -0.0013585100000000, 0.0000087000000000 ] - [ 0.0002559300000000, -0.0004045700000000, -0.0001182300000000 ]- atom: 124 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0048451200000000, 0.0034593100000000, 0.0014368400000000 ] - [ 0.0001681800000000, 0.0001038700000000, -0.0005869300000000 ] - [ 0.0001551400000000, -0.0012366100000000, -0.0004557100000000 ] - [ -0.0002983400000000, -0.0006966300000000, -0.0003844800000000 ] - [ 0.0013707600000000, 0.0021135900000000, -0.0003431700000000 ] - [ -0.0005512100000000, -0.0031018400000000, 0.0015473400000000 ] - [ -0.0000985400000000, -0.0011073500000000, -0.0004762200000000 ] - [ 0.0002660100000000, -0.0017572300000000, -0.0005256100000000 ] - [ 0.0004670800000000, -0.0006413900000000, 0.0002112000000000 ] - [ 0.0033523400000000, 0.0065557900000000, -0.0020200500000000 ] - [ 0.0021058900000000, -0.0008847800000000, -0.0025552800000000 ] - [ -0.0041014100000000, -0.0042173800000000, -0.0165897200000000 ] - [ -0.0005237800000000, -0.0006715300000000, -0.0001866900000000 ] - [ 0.0004515700000000, -0.0007868000000000, 0.0004334100000000 ] - [ -0.0075765400000000, -0.0057200100000000, 0.0073300500000000 ] - [ 0.0019070200000000, 0.0015073500000000, -0.0007864700000000 ] - [ -0.0000069200000000, -0.0007342200000000, -0.0010621900000000 ] - [ -0.0019223500000000, -0.0014894700000000, -0.0026079600000000 ] - [ -0.0001124400000000, -0.0001783900000000, 0.0001289200000000 ] - [ -0.0002307900000000, 0.0005833800000000, -0.0006079100000000 ] - [ -0.0000395100000000, -0.0002359300000000, 0.0002234700000000 ] - [ 0.0003629400000000, -0.0002847400000000, -0.0002287000000000 ] - [ -0.0001597800000000, 0.0008772700000000, -0.0005350300000000 ] - [ 0.0001014200000000, 0.0000463300000000, -0.0002572500000000 ] - [ -0.0010876300000000, 0.0002300300000000, -0.0001504600000000 ] - [ 0.0000025100000000, 0.0004632100000000, 0.0002368100000000 ] - [ -0.0000713000000000, -0.0000692300000000, 0.0000371900000000 ] - [ 0.0009116200000000, 0.0003958700000000, -0.0002269700000000 ] - [ -0.0000616500000000, 0.0005781900000000, -0.0009179000000000 ] - [ -0.0000953000000000, -0.0002186000000000, 0.0003746900000000 ] - [ -0.0002641200000000, -0.0000428900000000, -0.0000017500000000 ] - [ -0.0002761300000000, 0.0004730300000000, 0.0002353400000000 ] - [ 0.0002271800000000, -0.0004152400000000, 0.0002558000000000 ] - [ 0.0000635700000000, -0.0000874700000000, 0.0000789100000000 ] - [ 0.0001845500000000, -0.0002712500000000, -0.0000205700000000 ] - [ -0.0000301900000000, -0.0006507000000000, -0.0010290600000000 ] - [ -0.0000096600000000, -0.0002279300000000, -0.0000259100000000 ] - [ 0.0008307800000000, -0.0010889000000000, 0.0005985300000000 ] - [ -0.0004383500000000, -0.0006785700000000, 0.0004212100000000 ] - [ 0.0002824700000000, -0.0002289500000000, -0.0000460800000000 ] - [ 0.0002779800000000, -0.0007469800000000, -0.0009880300000000 ] - [ -0.0000982100000000, -0.0001941400000000, 0.0000750500000000 ] - [ 0.0000230200000000, -0.0002078000000000, 0.0000356400000000 ] - [ -0.0002680800000000, -0.0003639000000000, 0.0002228600000000 ] - [ 0.0004877000000000, -0.0000835100000000, -0.0001532700000000 ] - [ 0.0002718300000000, -0.0007036800000000, -0.0004455600000000 ] - [ -0.0000998400000000, -0.0004145800000000, 0.0006316700000000 ] - [ -0.0000548100000000, -0.0001146000000000, -0.0001406600000000 ] - [ -0.0000661700000000, -0.0000714000000000, -0.0000339700000000 ] - [ 0.0002131900000000, -0.0000931600000000, 0.0001648500000000 ] - [ -0.0002614900000000, -0.0000767800000000, 0.0001737500000000 ] - [ 0.0001327100000000, -0.0001206500000000, -0.0000435600000000 ] - [ 0.0000219200000000, -0.0000465500000000, -0.0002741400000000 ] - [ 0.0001135200000000, -0.0002661600000000, 0.0005237600000000 ] - [ -0.0002536600000000, -0.0005947900000000, -0.0003700000000000 ] - [ -0.0004075900000000, -0.0000327900000000, -0.0000801600000000 ] - [ 0.0002594600000000, -0.0001247100000000, 0.0001185400000000 ] - [ 0.0002297000000000, 0.0008397300000000, -0.0005078400000000 ] - [ -0.0000471700000000, 0.0002547100000000, 0.0004978700000000 ] - [ -0.0000889800000000, 0.0003044300000000, -0.0000285400000000 ] - [ -0.0000902000000000, -0.0000201200000000, -0.0000022900000000 ] - [ 0.0004026500000000, -0.0004792900000000, 0.0003600900000000 ] - [ -0.0001431000000000, 0.0003777500000000, 0.0000563600000000 ] - [ -0.0000145500000000, 0.0001218700000000, -0.0000303600000000 ] - [ 0.0000676000000000, -0.0004527200000000, -0.0007978700000000 ] - [ 0.0001998200000000, 0.0004519400000000, 0.0006553000000000 ] - [ -0.0000741200000000, 0.0001153600000000, -0.0000581300000000 ] - [ -0.0006387500000000, 0.0003016100000000, -0.0003980100000000 ] - [ 0.0005346700000000, 0.0000390400000000, -0.0001556000000000 ] - [ -0.0001330300000000, -0.0001119400000000, -0.0000640800000000 ] - [ 0.0003107200000000, 0.0009090400000000, -0.0005721700000000 ] - [ -0.0004830900000000, 0.0002221500000000, -0.0005396600000000 ] - [ 0.0009219800000000, -0.0001168600000000, 0.0001109200000000 ] - [ 0.0012896400000000, 0.0009380300000000, 0.0003997100000000 ] - [ -0.0008637500000000, 0.0002256100000000, 0.0002000600000000 ] - [ -0.0017565600000000, 0.0007657700000000, -0.0005090400000000 ] - [ 0.0000534500000000, 0.0000168000000000, -0.0002805900000000 ] - [ 0.0003161500000000, -0.0006162500000000, 0.0009143000000000 ] - [ 0.0021130200000000, -0.0024984600000000, -0.0000773200000000 ] - [ -0.0003574500000000, 0.0002659300000000, 0.0004432400000000 ] - [ 0.0003086100000000, -0.0002653600000000, 0.0001406200000000 ] - [ 0.0001028700000000, 0.0000181200000000, -0.0000039100000000 ] - [ 0.0000813700000000, -0.0000951500000000, 0.0001431700000000 ] - [ -0.0000349900000000, -0.0005518500000000, -0.0008864200000000 ] - [ -0.0004137800000000, -0.0001162900000000, -0.0000753700000000 ] - [ 0.0002043200000000, -0.0002646300000000, 0.0002719900000000 ] - [ -0.0004225200000000, -0.0005918100000000, 0.0003935900000000 ] - [ 0.0002494000000000, -0.0001571300000000, -0.0000409100000000 ] - [ -0.0000705600000000, -0.0003468800000000, -0.0006436700000000 ] - [ -0.0001465900000000, -0.0001488100000000, 0.0000832600000000 ] - [ -0.0003194200000000, 0.0001785600000000, -0.0001628100000000 ] - [ -0.0002628200000000, -0.0003281900000000, 0.0002066100000000 ] - [ 0.0002901800000000, 0.0000068700000000, 0.0000215100000000 ] - [ 0.0003133900000000, -0.0006397900000000, -0.0003997200000000 ] - [ -0.0001167000000000, -0.0004140300000000, 0.0006344100000000 ] - [ 0.0000340200000000, -0.0001016200000000, -0.0002662400000000 ] - [ -0.0004343300000000, -0.0001469000000000, -0.0000784900000000 ] - [ 0.0001053900000000, -0.0002285500000000, 0.0000908100000000 ] - [ -0.0000805400000000, -0.0002293900000000, 0.0001021100000000 ] - [ 0.0002876900000000, -0.0001044600000000, -0.0000489100000000 ] - [ -0.0000041300000000, -0.0001818200000000, -0.0000857900000000 ] - [ -0.0001140900000000, -0.0007648600000000, 0.0005075200000000 ] - [ -0.0003476600000000, -0.0007721900000000, -0.0004926100000000 ] - [ -0.0004019800000000, -0.0000845700000000, -0.0000910900000000 ] - [ 0.0021202800000000, -0.0058828200000000, -0.0009483600000000 ] - [ 0.0012166600000000, 0.0109233400000000, -0.0011392100000000 ] - [ -0.0020184000000000, -0.0018127600000000, -0.0000398100000000 ] - [ 0.0008101200000000, 0.0036211000000000, -0.0002396600000000 ] - [ -0.0002568600000000, -0.0034665900000000, -0.0003854800000000 ] - [ 0.0003755900000000, -0.0026244000000000, -0.0003175900000000 ] - [ 0.0004908800000000, -0.0009193100000000, -0.0000887000000000 ] - [ 0.0002256900000000, -0.0008253100000000, -0.0000081000000000 ] - [ -0.0009364400000000, -0.0001333200000000, -0.0000887000000000 ] - [ -0.0014162800000000, 0.0025442300000000, -0.0002124300000000 ] - [ 0.0011035900000000, 0.0001030700000000, -0.0001780700000000 ] - [ 0.0670574200000000, 0.0784125100000000, 0.0333814800000000 ] - [ -0.0005008500000000, -0.0016745200000000, -0.0002116200000000 ] - [ 0.0006340100000000, -0.0021405000000000, -0.0002392600000000 ] - [ -0.0011659500000000, -0.0008079400000000, 0.0000410500000000 ] - [ 0.0004447600000000, -0.0013823000000000, 0.0000509800000000 ] - [ -0.0024090300000000, -0.0076112500000000, 0.0056715300000000 ] - [ 0.0139117200000000, 0.0108892600000000, 0.0073090200000000 ] - [ 0.0006761600000000, 0.0014404400000000, 0.0003129600000000 ] - [ -0.0802831000000000, -0.1023308300000000, -0.0505893300000000 ] - [ 0.0003754200000000, 0.0104449700000000, 0.0272641300000000 ] - [ -0.0019021200000000, 0.0012484000000000, 0.0011872600000000 ] - [ 0.0114712000000000, 0.0132173600000000, -0.0094732800000000 ] - [ 0.0004118500000000, 0.0010142500000000, 0.0010179700000000 ] - [ 0.0007378800000000, 0.0007914900000000, -0.0003147900000000 ] - [ -0.0016243900000000, -0.0029370000000000, -0.0000261400000000 ] - [ 0.0019823800000000, 0.0015674000000000, 0.0010816200000000 ] - [ 0.0004702000000000, 0.0008610800000000, -0.0000277500000000 ] - [ -0.0011588400000000, -0.0011926000000000, 0.0003844600000000 ] - [ 0.0013804000000000, -0.0043287400000000, 0.0008499300000000 ] - [ 0.0020468100000000, -0.0000400200000000, 0.0001018300000000 ] - [ -0.0034619400000000, -0.0004711400000000, -0.0005013300000000 ] - [ -0.0005999900000000, 0.0002469000000000, 0.0007337600000000 ] - [ 0.0007028100000000, -0.0013373000000000, 0.0003705500000000 ] - [ 0.0005315900000000, 0.0004593200000000, -0.0002362300000000 ] - [ 0.0010521600000000, -0.0010600600000000, 0.0009301500000000 ] - [ 0.0012492400000000, -0.0001132300000000, -0.0004380900000000 ] - [ -0.0012596500000000, -0.0008442600000000, 0.0003137900000000 ] - [ 0.0003457000000000, 0.0003875100000000, -0.0000960700000000 ] - [ 0.0005838100000000, -0.0002036200000000, 0.0001747100000000 ] - [ 0.0000082000000000, 0.0005595300000000, -0.0000388800000000 ] - [ -0.0004710900000000, 0.0008940300000000, -0.0000957300000000 ] - [ 0.0006523400000000, 0.0010545600000000, 0.0001902900000000 ] - [ -0.0003360400000000, 0.0006035100000000, -0.0002336700000000 ] - [ -0.0003764500000000, 0.0009136400000000, 0.0010377000000000 ] - [ -0.0005185900000000, 0.0007658800000000, -0.0001011900000000 ] - [ 0.0004173200000000, 0.0006229600000000, -0.0001591200000000 ] - [ -0.0001944500000000, 0.0006173200000000, 0.0012007900000000 ] - [ -0.0002185700000000, 0.0007904800000000, -0.0002300700000000 ] - [ -0.0008550000000000, 0.0008055800000000, 0.0002029900000000 ] - [ 0.0002064100000000, 0.0006908700000000, -0.0001029900000000 ] - [ -0.0003224000000000, 0.0004965800000000, -0.0000192400000000 ] - [ -0.0001718000000000, 0.0005947000000000, 0.0003055900000000 ] - [ 0.0001713900000000, 0.0013487300000000, -0.0000674300000000 ] - [ 0.0005736600000000, 0.0002129100000000, 0.0001721400000000 ] - [ -0.0006785800000000, 0.0009654300000000, -0.0005713700000000 ] - [ -0.0000288200000000, 0.0010832000000000, 0.0007733400000000 ] - [ -0.0002876200000000, 0.0005879000000000, -0.0003918500000000 ] - [ 0.0000369900000000, 0.0003245600000000, -0.0002007700000000 ] - [ 0.0002446900000000, 0.0007626700000000, 0.0008325300000000 ] - [ 0.0005581000000000, 0.0007929100000000, -0.0004484400000000 ] - [ -0.0006706700000000, 0.0001519400000000, 0.0001694600000000 ] - [ -0.0000824400000000, 0.0007488300000000, -0.0001112900000000 ] - [ 0.0001195800000000, 0.0003725400000000, 0.0002375100000000 ] - [ -0.0001411000000000, -0.0007771000000000, 0.0003794900000000 ] - [ -0.0000196600000000, -0.0012468200000000, -0.0001391100000000 ] - [ 0.0007983700000000, 0.0003138800000000, 0.0001404200000000 ] - [ -0.0005936300000000, -0.0013876500000000, -0.0004681400000000 ] - [ -0.0002247500000000, -0.0011104400000000, 0.0007391800000000 ] - [ -0.0002106800000000, -0.0001568100000000, -0.0003553900000000 ] - [ 0.0000716100000000, -0.0007871800000000, -0.0002928400000000 ] - [ 0.0002706900000000, 0.0004192500000000, 0.0009691400000000 ] - [ 0.0001142800000000, 0.0000449700000000, -0.0003054500000000 ] - [ -0.0004606100000000, -0.0006852000000000, 0.0001608300000000 ] - [ -0.0004241200000000, -0.0007476600000000, -0.0001971300000000 ] - [ -0.0002663400000000, 0.0000982200000000, 0.0001978300000000 ] - [ 0.0012572500000000, -0.0006005800000000, -0.0000564900000000 ] - [ -0.0005177300000000, -0.0019263000000000, 0.0000365300000000 ] - [ -0.0002466300000000, -0.0002526600000000, 0.0001307500000000 ] - [ 0.0019987000000000, -0.0004590000000000, 0.0004319100000000 ] - [ 0.0006525900000000, 0.0005888100000000, 0.0007197600000000 ] - [ -0.0015692200000000, -0.0017570900000000, 0.0003822400000000 ] - [ -0.0000669700000000, 0.0007896300000000, -0.0005192200000000 ] - [ -0.0052780800000000, -0.0008759500000000, -0.0010866000000000 ] - [ -0.0010363500000000, 0.0005424100000000, -0.0002788700000000 ] - [ 0.0030317500000000, -0.0005727900000000, 0.0000652300000000 ] - [ -0.0009886500000000, 0.0022036000000000, -0.0000486900000000 ] - [ -0.0009988700000000, 0.0012730900000000, 0.0004251000000000 ] - [ 0.0000180500000000, 0.0003846400000000, 0.0000405400000000 ] - [ -0.0002721000000000, 0.0004155400000000, -0.0001057200000000 ] - [ 0.0009170900000000, 0.0004594900000000, 0.0002089700000000 ] - [ -0.0003582100000000, 0.0003820800000000, -0.0002982400000000 ] - [ -0.0003005500000000, 0.0005650800000000, 0.0009878700000000 ] - [ -0.0004209800000000, 0.0003490100000000, -0.0001774900000000 ] - [ 0.0005070700000000, 0.0004736500000000, -0.0001595300000000 ] - [ 0.0005974900000000, -0.0000279300000000, 0.0009441200000000 ] - [ 0.0008034100000000, 0.0000468800000000, -0.0004087100000000 ] - [ -0.0008381600000000, 0.0006964000000000, 0.0001886700000000 ] - [ 0.0004727500000000, 0.0004577800000000, -0.0000778500000000 ] - [ 0.0003105400000000, 0.0002777100000000, 0.0000905800000000 ] - [ -0.0002882500000000, 0.0004968900000000, 0.0003033900000000 ] - [ 0.0001141700000000, 0.0012323000000000, -0.0000896200000000 ] - [ 0.0010015400000000, 0.0001839500000000, 0.0001826100000000 ] - [ -0.0008997300000000, 0.0009654600000000, -0.0005218400000000 ] - [ -0.0005296200000000, 0.0006709700000000, 0.0008764300000000 ] - [ -0.0001836800000000, 0.0006817400000000, -0.0003387400000000 ] - [ 0.0010281900000000, 0.0007071800000000, -0.0003778200000000 ] - [ 0.0003247100000000, 0.0010286100000000, 0.0007804900000000 ] - [ 0.0011459300000000, 0.0012959000000000, -0.0007349800000000 ] - [ -0.0008442100000000, 0.0003013700000000, 0.0001646200000000 ] - [ -0.0002726500000000, 0.0025086700000000, -0.0000131900000000 ] - [ 0.0003674000000000, 0.0007915800000000, 0.0005030100000000 ]- atom: 124 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0048249300000000, -0.0034375000000000, -0.0023371700000000 ] - [ -0.0001714900000000, -0.0001056000000000, -0.0003236600000000 ] - [ -0.0001556400000000, 0.0012326900000000, -0.0004544000000000 ] - [ 0.0002964100000000, 0.0006945300000000, -0.0005250600000000 ] - [ -0.0013698700000000, -0.0020967600000000, -0.0005665800000000 ] - [ 0.0005554600000000, 0.0030932300000000, -0.0024683100000000 ] - [ 0.0000988100000000, 0.0011034700000000, -0.0004333700000000 ] - [ -0.0002642500000000, 0.0017500600000000, -0.0003846800000000 ] - [ 0.0002037100000000, 0.0003508300000000, -0.0000805700000000 ] - [ -0.0029636400000000, -0.0058823300000000, 0.0016432400000000 ] - [ -0.0020971800000000, 0.0011094900000000, 0.0032683900000000 ] - [ 0.0040299100000000, 0.0037421000000000, 0.0153327800000000 ] - [ 0.0000468500000000, 0.0005882400000000, 0.0000964000000000 ] - [ 0.0001509200000000, 0.0003015800000000, 0.0001117400000000 ] - [ 0.0069095900000000, 0.0052315200000000, -0.0067506000000000 ] - [ -0.0014023700000000, -0.0015903500000000, 0.0006836800000000 ] - [ 0.0000508600000000, 0.0002373300000000, -0.0000876900000000 ] - [ 0.0018915800000000, 0.0017144500000000, 0.0032874900000000 ] - [ -0.0002661800000000, 0.0008185800000000, -0.0005172100000000 ] - [ -0.0004346400000000, -0.0008760600000000, 0.0007408700000000 ] - [ 0.0007068100000000, 0.0005206000000000, -0.0000928100000000 ] - [ 0.0000164400000000, -0.0003586900000000, -0.0001615200000000 ] - [ 0.0001854900000000, -0.0011012400000000, 0.0012247700000000 ] - [ -0.0001449100000000, 0.0004485100000000, -0.0008916900000000 ] - [ 0.0006056700000000, -0.0001495500000000, 0.0000601700000000 ] - [ 0.0005969500000000, 0.0000203900000000, 0.0003072000000000 ] - [ -0.0005302000000000, 0.0005522200000000, 0.0005082000000000 ] - [ -0.0004333800000000, -0.0003157100000000, 0.0001376400000000 ] - [ 0.0001050200000000, -0.0000817500000000, -0.0002319900000000 ] - [ 0.0000683600000000, -0.0000103300000000, 0.0003171600000000 ] - [ -0.0001152700000000, -0.0005981300000000, -0.0003867300000000 ] - [ -0.0003938700000000, -0.0001842600000000, -0.0001046400000000 ] - [ 0.0004420800000000, 0.0001262600000000, -0.0001243600000000 ] - [ 0.0003148400000000, 0.0007284800000000, -0.0004675800000000 ] - [ -0.0001577600000000, 0.0004985400000000, 0.0007118100000000 ] - [ -0.0000138500000000, 0.0001545500000000, -0.0001203700000000 ] - [ -0.0004666100000000, 0.0001477500000000, -0.0000631800000000 ] - [ -0.0002296100000000, 0.0006051800000000, -0.0000534700000000 ] - [ -0.0001639200000000, 0.0001940500000000, 0.0001240000000000 ] - [ 0.0001939700000000, 0.0001487400000000, -0.0000434100000000 ] - [ -0.0002337200000000, 0.0002504100000000, -0.0001639100000000 ] - [ 0.0000721500000000, 0.0004221800000000, 0.0006172100000000 ] - [ -0.0004007500000000, 0.0008489800000000, -0.0004226600000000 ] - [ -0.0004011400000000, 0.0000751200000000, -0.0000919200000000 ] - [ 0.0001819800000000, 0.0003708300000000, 0.0002835300000000 ] - [ 0.0001074000000000, 0.0000595000000000, 0.0000548800000000 ] - [ 0.0001255300000000, 0.0001847600000000, 0.0000618100000000 ] - [ 0.0000106200000000, 0.0006077000000000, -0.0010054900000000 ] - [ -0.0004098000000000, 0.0001504100000000, -0.0000552900000000 ] - [ 0.0003878100000000, 0.0005738800000000, 0.0003788800000000 ] - [ -0.0003399100000000, 0.0005577100000000, 0.0003701300000000 ] - [ 0.0003435900000000, 0.0001993900000000, -0.0000459900000000 ] - [ 0.0000222400000000, 0.0005402800000000, -0.0008728800000000 ] - [ -0.0001391500000000, 0.0000364000000000, 0.0001700000000000 ] - [ -0.0001251400000000, -0.0000484900000000, -0.0000201100000000 ] - [ -0.0002622300000000, 0.0003197600000000, 0.0002096300000000 ] - [ 0.0004097100000000, -0.0001627000000000, 0.0000116300000000 ] - [ 0.0001488800000000, -0.0001950200000000, 0.0001168200000000 ] - [ 0.0000718800000000, -0.0000254200000000, 0.0001961400000000 ] - [ 0.0000441600000000, -0.0007962800000000, -0.0011165100000000 ] - [ -0.0003866600000000, -0.0000590600000000, -0.0000871600000000 ] - [ 0.0001990200000000, -0.0000033900000000, 0.0001842500000000 ] - [ -0.0004587000000000, -0.0008575900000000, 0.0004871900000000 ] - [ 0.0004860400000000, -0.0002005400000000, -0.0000585700000000 ] - [ -0.0000233900000000, -0.0000420900000000, -0.0003499200000000 ] - [ -0.0002251500000000, -0.0002205700000000, 0.0000394200000000 ] - [ -0.0003046700000000, 0.0005270500000000, -0.0003316200000000 ] - [ -0.0000335300000000, -0.0005878800000000, 0.0005258500000000 ] - [ 0.0001355900000000, 0.0002487900000000, 0.0002853300000000 ] - [ 0.0005110300000000, -0.0005332200000000, -0.0003267000000000 ] - [ -0.0002845100000000, -0.0011331200000000, 0.0012605500000000 ] - [ 0.0004422200000000, 0.0002656000000000, -0.0005991900000000 ] - [ -0.0013917800000000, 0.0001962200000000, -0.0001994200000000 ] - [ -0.0006818600000000, -0.0004475600000000, 0.0001465400000000 ] - [ 0.0002690700000000, 0.0002494400000000, 0.0003417500000000 ] - [ 0.0022270700000000, -0.0006899400000000, 0.0004304500000000 ] - [ -0.0000098300000000, 0.0004827000000000, -0.0008696700000000 ] - [ -0.0003406600000000, 0.0003854000000000, -0.0002196800000000 ] - [ -0.0024723600000000, 0.0018432400000000, -0.0003089200000000 ] - [ -0.0003291000000000, -0.0000035000000000, -0.0003444800000000 ] - [ 0.0003603600000000, -0.0000237900000000, -0.0000087600000000 ] - [ 0.0002755300000000, 0.0006228900000000, -0.0003847400000000 ] - [ -0.0000549400000000, 0.0003230900000000, 0.0005485000000000 ] - [ -0.0000090900000000, 0.0000556300000000, -0.0002630900000000 ] - [ -0.0000623500000000, 0.0000357300000000, -0.0000136600000000 ] - [ 0.0003974100000000, -0.0002200000000000, 0.0002732200000000 ] - [ -0.0001796600000000, 0.0001074400000000, 0.0001515100000000 ] - [ 0.0002273100000000, 0.0000771500000000, -0.0000485800000000 ] - [ 0.0001147800000000, -0.0001507500000000, -0.0005078500000000 ] - [ 0.0001204500000000, 0.0003766800000000, 0.0006086300000000 ] - [ -0.0000592600000000, 0.0004597500000000, -0.0002247400000000 ] - [ -0.0004062700000000, 0.0000396500000000, -0.0000757300000000 ] - [ 0.0003797400000000, 0.0002799900000000, 0.0001082600000000 ] - [ 0.0000660900000000, -0.0000038900000000, 0.0000093600000000 ] - [ 0.0001423900000000, 0.0001841100000000, 0.0000592100000000 ] - [ -0.0000776000000000, 0.0005949000000000, -0.0008806100000000 ] - [ -0.0000407600000000, 0.0002256100000000, -0.0000106200000000 ] - [ 0.0004961600000000, 0.0007100000000000, 0.0004533500000000 ] - [ -0.0005198500000000, 0.0007097100000000, 0.0004413600000000 ] - [ 0.0001896300000000, 0.0001834600000000, -0.0000407000000000 ] - [ 0.0000483600000000, 0.0006758500000000, -0.0010617700000000 ] - [ 0.0000914700000000, 0.0005356700000000, 0.0001897200000000 ] - [ -0.0000309000000000, 0.0001291800000000, 0.0001028200000000 ] - [ -0.0002675900000000, 0.0003716200000000, 0.0002209200000000 ] - [ -0.0029420000000000, 0.0045710400000000, 0.0006816500000000 ] - [ -0.0002352200000000, -0.0122504300000000, 0.0009230400000000 ] - [ 0.0011695400000000, 0.0030911300000000, -0.0002231500000000 ] - [ 0.0000232500000000, -0.0023251700000000, -0.0000261300000000 ] - [ -0.0005843600000000, 0.0021734500000000, 0.0001221600000000 ] - [ 0.0004641300000000, 0.0013280900000000, 0.0000536700000000 ] - [ -0.0013316500000000, 0.0022030500000000, -0.0001734000000000 ] - [ 0.0006148300000000, 0.0021086000000000, -0.0002543600000000 ] - [ 0.0000910400000000, -0.0011510700000000, -0.0001739000000000 ] - [ 0.0022154000000000, -0.0038114100000000, -0.0000674000000000 ] - [ -0.0019366400000000, 0.0011872600000000, -0.0000857700000000 ] - [ -0.0680925900000000, -0.0774480300000000, -0.0346072000000000 ] - [ -0.0003411000000000, 0.0003806600000000, -0.0000522000000000 ] - [ 0.0002079700000000, 0.0008474200000000, -0.0000245700000000 ] - [ 0.0003252500000000, 0.0020859300000000, -0.0003028400000000 ] - [ 0.0003966900000000, 0.0026643700000000, -0.0003135000000000 ] - [ 0.0022262000000000, 0.0075804700000000, -0.0053145300000000 ] - [ -0.0144343800000000, -0.0119661600000000, -0.0077032900000000 ] - [ 0.0009270000000000, -0.0009028900000000, 0.0000595000000000 ] - [ 0.0810553200000000, 0.1021724200000000, 0.0506766800000000 ] - [ -0.0009535100000000, -0.0104726100000000, -0.0250140700000000 ] - [ 0.0011848400000000, -0.0013253600000000, -0.0017216800000000 ] - [ -0.0105420100000000, -0.0130436400000000, 0.0087412200000000 ] - [ 0.0001912300000000, -0.0011844300000000, 0.0008038700000000 ] - [ 0.0003952800000000, -0.0012559700000000, -0.0005018400000000 ] - [ -0.0000045300000000, 0.0034713400000000, 0.0004153100000000 ] - [ -0.0017459400000000, -0.0022143400000000, -0.0012532300000000 ] - [ -0.0002527400000000, -0.0009347800000000, 0.0003289300000000 ] - [ 0.0009374200000000, 0.0012685700000000, -0.0000861800000000 ] - [ -0.0015986600000000, 0.0049639500000000, -0.0010307900000000 ] - [ -0.0004341700000000, -0.0004903100000000, 0.0002696500000000 ] - [ 0.0023413500000000, 0.0009316000000000, -0.0003125900000000 ] - [ -0.0000031200000000, -0.0000711400000000, 0.0010878800000000 ] - [ -0.0014229000000000, 0.0014060200000000, -0.0008895700000000 ] - [ 0.0001957300000000, -0.0003817800000000, -0.0002834000000000 ] - [ -0.0004453500000000, 0.0012286600000000, 0.0008910700000000 ] - [ -0.0001119200000000, 0.0005799000000000, -0.0003797000000000 ] - [ -0.0003453400000000, 0.0003098200000000, 0.0000587000000000 ] - [ -0.0001147200000000, 0.0002645900000000, -0.0000813600000000 ] - [ -0.0003647100000000, 0.0002801900000000, 0.0001278400000000 ] - [ -0.0002227500000000, -0.0006348600000000, 0.0003393100000000 ] - [ 0.0002413400000000, -0.0015435600000000, -0.0000823100000000 ] - [ 0.0009530000000000, -0.0005199600000000, 0.0001816900000000 ] - [ -0.0007962200000000, -0.0010686600000000, -0.0005829600000000 ] - [ -0.0002257700000000, -0.0010852900000000, 0.0007836900000000 ] - [ -0.0002085900000000, -0.0008394800000000, -0.0004193600000000 ] - [ 0.0003096300000000, -0.0006980200000000, -0.0003614700000000 ] - [ 0.0007933700000000, -0.0007856000000000, 0.0006190800000000 ] - [ 0.0013504000000000, -0.0012568300000000, -0.0005863400000000 ] - [ -0.0007491900000000, -0.0002707800000000, 0.0001692900000000 ] - [ 0.0000226800000000, -0.0013419900000000, -0.0000749100000000 ] - [ 0.0005371300000000, -0.0005727700000000, 0.0003191000000000 ] - [ -0.0000433000000000, -0.0005147600000000, -0.0000034900000000 ] - [ -0.0003979900000000, -0.0006894300000000, -0.0001103700000000 ] - [ 0.0010308500000000, -0.0007444700000000, 0.0001999500000000 ] - [ -0.0004549500000000, -0.0004940100000000, -0.0002464400000000 ] - [ -0.0005726700000000, -0.0009047700000000, 0.0010474600000000 ] - [ -0.0004378500000000, -0.0005075700000000, -0.0001267400000000 ] - [ 0.0006897400000000, -0.0002471500000000, -0.0003194300000000 ] - [ 0.0003582800000000, -0.0005854600000000, 0.0009879400000000 ] - [ 0.0005762300000000, -0.0003219800000000, -0.0003700000000000 ] - [ -0.0009338100000000, -0.0006821800000000, 0.0002029900000000 ] - [ 0.0003095800000000, -0.0000903500000000, -0.0000667700000000 ] - [ 0.0000964600000000, -0.0002933900000000, 0.0000631900000000 ] - [ -0.0000712100000000, 0.0006967500000000, -0.0000771200000000 ] - [ -0.0002050200000000, 0.0005884800000000, -0.0000391200000000 ] - [ 0.0008073900000000, 0.0002173200000000, 0.0002318600000000 ] - [ -0.0005352300000000, 0.0009130700000000, -0.0003487200000000 ] - [ -0.0003758100000000, 0.0009308900000000, 0.0010810700000000 ] - [ -0.0005130500000000, 0.0000805500000000, -0.0001657200000000 ] - [ 0.0006548600000000, 0.0007060700000000, -0.0002286300000000 ] - [ 0.0003318600000000, -0.0005928500000000, 0.0008520800000000 ] - [ 0.0010184500000000, -0.0005144900000000, -0.0005127800000000 ] - [ -0.0011376500000000, 0.0012123200000000, 0.0002100100000000 ] - [ 0.0006494400000000, 0.0000882800000000, 0.0000191000000000 ] - [ 0.0004804700000000, -0.0001768400000000, 0.0001048900000000 ] - [ -0.0014668100000000, 0.0006770000000000, 0.0003622100000000 ] - [ 0.0002958600000000, 0.0025696400000000, -0.0002105000000000 ] - [ 0.0018456900000000, -0.0002820000000000, 0.0002410400000000 ] - [ -0.0030924500000000, 0.0009445700000000, -0.0012285900000000 ] - [ -0.0012568700000000, -0.0004055600000000, 0.0010975000000000 ] - [ 0.0008430300000000, 0.0018201800000000, -0.0008985600000000 ] - [ 0.0007914300000000, -0.0007102300000000, -0.0000017200000000 ] - [ 0.0058140400000000, 0.0010748800000000, 0.0028785600000000 ] - [ 0.0021575400000000, -0.0000763000000000, -0.0005370500000000 ] - [ -0.0046545200000000, 0.0000617100000000, 0.0003347200000000 ] - [ 0.0012101900000000, -0.0015397100000000, -0.0001278500000000 ] - [ 0.0012070300000000, -0.0011898900000000, -0.0001223300000000 ] - [ -0.0002330800000000, -0.0004602700000000, 0.0002605900000000 ] - [ 0.0000430700000000, -0.0010658600000000, -0.0000720300000000 ] - [ 0.0006882200000000, 0.0000753600000000, 0.0001631700000000 ] - [ -0.0007738000000000, -0.0008482700000000, -0.0005185600000000 ] - [ -0.0003020000000000, -0.0007366200000000, 0.0008336600000000 ] - [ -0.0003050100000000, -0.0004250800000000, -0.0003425400000000 ] - [ 0.0002191300000000, -0.0005478300000000, -0.0003610200000000 ] - [ 0.0000089900000000, -0.0001406000000000, 0.0008788000000000 ] - [ 0.0003282900000000, -0.0005120100000000, -0.0004073100000000 ] - [ -0.0007667300000000, -0.0001622200000000, 0.0001835600000000 ] - [ -0.0002435200000000, -0.0011081400000000, -0.0001002100000000 ] - [ -0.0000957700000000, -0.0003527800000000, 0.0002097400000000 ] - [ 0.0000715000000000, -0.0004178900000000, -0.0000011400000000 ] - [ -0.0003412800000000, -0.0005739600000000, -0.0000885100000000 ] - [ 0.0006022000000000, -0.0007145500000000, 0.0001886200000000 ] - [ -0.0002359400000000, -0.0004936200000000, -0.0002965000000000 ] - [ -0.0000736500000000, -0.0004959600000000, 0.0009448500000000 ] - [ -0.0005428200000000, -0.0006023500000000, -0.0001826700000000 ] - [ -0.0003093000000000, -0.0006253300000000, -0.0001449600000000 ] - [ 0.0002767100000000, -0.0008517500000000, 0.0010405400000000 ] - [ -0.0000139100000000, -0.0008262900000000, -0.0000818100000000 ] - [ -0.0007609700000000, -0.0008319600000000, 0.0002070300000000 ] - [ 0.0004989100000000, -0.0018530900000000, -0.0001648600000000 ] - [ -0.0001517700000000, -0.0007125900000000, -0.0002028100000000 ]- atom: 124 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0017916700000000, -0.0003809900000000, -0.0026252100000000 ] - [ -0.0004916300000000, 0.0002030800000000, -0.0004715800000000 ] - [ 0.0000815400000000, -0.0001493100000000, -0.0004700600000000 ] - [ -0.0000540300000000, -0.0001118300000000, -0.0004528000000000 ] - [ -0.0005818600000000, 0.0005580500000000, -0.0000812000000000 ] - [ 0.0005778300000000, -0.0009376000000000, 0.0008025000000000 ] - [ -0.0000706400000000, -0.0002785800000000, -0.0004540800000000 ] - [ -0.0000061900000000, -0.0003987500000000, -0.0005764900000000 ] - [ 0.0002200100000000, -0.0000809500000000, 0.0003597600000000 ] - [ 0.0032568400000000, 0.0052502900000000, -0.0051931500000000 ] - [ 0.0006962000000000, -0.0009970100000000, -0.0011317800000000 ] - [ -0.0047815600000000, -0.0112121900000000, -0.0105897500000000 ] - [ -0.0003911100000000, 0.0000953200000000, -0.0000349600000000 ] - [ 0.0003109800000000, -0.0003354900000000, 0.0003138300000000 ] - [ 0.0043972400000000, 0.0057182800000000, 0.0027878900000000 ] - [ 0.0035488900000000, 0.0000194900000000, -0.0035296900000000 ] - [ 0.0000003400000000, -0.0003411100000000, -0.0006760300000000 ] - [ 0.0000716400000000, -0.0004409900000000, 0.0026887400000000 ] - [ -0.0002015200000000, 0.0002812600000000, -0.0001751900000000 ] - [ 0.0006330900000000, -0.0006081600000000, -0.0000771600000000 ] - [ 0.0003859800000000, 0.0002835700000000, 0.0000548900000000 ] - [ 0.0002251600000000, -0.0001891500000000, -0.0001127800000000 ] - [ -0.0000508400000000, -0.0003637200000000, 0.0009011300000000 ] - [ 0.0000314700000000, 0.0007707200000000, -0.0012800800000000 ] - [ -0.0002806100000000, 0.0000136100000000, -0.0000374200000000 ] - [ 0.0002992300000000, 0.0002080500000000, 0.0002925900000000 ] - [ -0.0005000700000000, 0.0007441200000000, 0.0006318300000000 ] - [ 0.0001331700000000, 0.0000745400000000, -0.0000403000000000 ] - [ -0.0000247700000000, 0.0001899500000000, -0.0005269900000000 ] - [ -0.0000162900000000, -0.0001299700000000, 0.0003570900000000 ] - [ -0.0002389100000000, -0.0003422400000000, -0.0002575500000000 ] - [ -0.0004532600000000, 0.0001163200000000, 0.0000693800000000 ] - [ 0.0003446500000000, -0.0002085600000000, 0.0000620100000000 ] - [ 0.0001650400000000, 0.0002311100000000, -0.0001330000000000 ] - [ 0.0000396500000000, 0.0000287700000000, 0.0002788300000000 ] - [ -0.0000170400000000, -0.0003306900000000, -0.0006829400000000 ] - [ -0.0000002400000000, -0.0000168700000000, -0.0000499800000000 ] - [ 0.0005736900000000, -0.0005426600000000, 0.0004226000000000 ] - [ -0.0003137600000000, -0.0003171500000000, 0.0002961400000000 ] - [ 0.0002549600000000, -0.0000798200000000, -0.0000448500000000 ] - [ 0.0001041000000000, -0.0003716000000000, -0.0001867300000000 ] - [ 0.0000080900000000, 0.0000906600000000, 0.0003409400000000 ] - [ -0.0001588600000000, 0.0004569400000000, -0.0003076400000000 ] - [ -0.0003232100000000, -0.0001819200000000, 0.0000933900000000 ] - [ 0.0003676100000000, 0.0001498900000000, 0.0000358000000000 ] - [ 0.0001930900000000, -0.0003877100000000, -0.0002352200000000 ] - [ -0.0000003800000000, -0.0001571500000000, 0.0003873300000000 ] - [ -0.0000233100000000, 0.0001970100000000, -0.0005014400000000 ] - [ -0.0002412500000000, 0.0000592000000000, -0.0000551600000000 ] - [ 0.0002892200000000, 0.0002052000000000, 0.0002587300000000 ] - [ -0.0002983900000000, 0.0001956200000000, 0.0002567500000000 ] - [ 0.0002162600000000, 0.0000155500000000, -0.0000448800000000 ] - [ 0.0000163200000000, 0.0002163100000000, -0.0005424500000000 ] - [ -0.0001168200000000, 0.0000101800000000, 0.0002257900000000 ] - [ -0.0002034800000000, -0.0003482200000000, -0.0002127300000000 ] - [ -0.0003488500000000, 0.0001155300000000, 0.0000396300000000 ] - [ 0.0003128300000000, -0.0001510000000000, 0.0000811200000000 ] - [ 0.0001051700000000, 0.0003054100000000, -0.0001605600000000 ] - [ -0.0001639100000000, 0.0002177600000000, 0.0004972300000000 ] - [ -0.0000795200000000, -0.0002182800000000, -0.0005774000000000 ] - [ -0.0002309500000000, -0.0000296100000000, -0.0000387100000000 ] - [ 0.0003148200000000, -0.0002745100000000, 0.0002838600000000 ] - [ -0.0003734600000000, -0.0002140600000000, 0.0002778500000000 ] - [ -0.0002244500000000, 0.0000053200000000, 0.0000200700000000 ] - [ 0.0000314600000000, -0.0002721500000000, -0.0006048500000000 ] - [ 0.0000122100000000, 0.0001814500000000, 0.0003783600000000 ] - [ -0.0001691900000000, 0.0003016700000000, -0.0001784900000000 ] - [ -0.0005109600000000, 0.0000189100000000, -0.0001139300000000 ] - [ 0.0003410500000000, 0.0001504500000000, 0.0001266000000000 ] - [ 0.0000878800000000, -0.0002769000000000, -0.0001514000000000 ] - [ -0.0000711500000000, 0.0002934600000000, -0.0001722000000000 ] - [ -0.0002173400000000, 0.0000446600000000, -0.0003150300000000 ] - [ 0.0001932600000000, 0.0001753200000000, 0.0001250700000000 ] - [ 0.0008293500000000, 0.0004062100000000, 0.0002350200000000 ] - [ -0.0003750800000000, 0.0000378500000000, 0.0000849500000000 ] - [ 0.0004403700000000, -0.0007250500000000, 0.0007336200000000 ] - [ 0.0000868300000000, 0.0011333600000000, -0.0018481200000000 ] - [ 0.0000987700000000, -0.0002629900000000, 0.0006225800000000 ] - [ 0.0004984900000000, 0.0001120900000000, 0.0011220100000000 ] - [ -0.0023352000000000, -0.0031470500000000, -0.0082712700000000 ] - [ 0.0002954900000000, -0.0001542000000000, 0.0001045800000000 ] - [ 0.0001706300000000, 0.0002712400000000, -0.0001645400000000 ] - [ 0.0000222100000000, 0.0000814100000000, 0.0003158800000000 ] - [ -0.0000305900000000, -0.0003017000000000, -0.0006214600000000 ] - [ -0.0004120200000000, -0.0000801600000000, -0.0000647400000000 ] - [ 0.0001921300000000, -0.0002075000000000, 0.0002471600000000 ] - [ -0.0003364100000000, -0.0003165500000000, 0.0002991800000000 ] - [ 0.0002287400000000, -0.0000581400000000, -0.0000438300000000 ] - [ -0.0000296000000000, -0.0002989700000000, -0.0006579800000000 ] - [ -0.0000679500000000, 0.0000395600000000, 0.0002606800000000 ] - [ -0.0002736200000000, 0.0002159800000000, -0.0001642600000000 ] - [ -0.0003203300000000, -0.0001826600000000, 0.0000932500000000 ] - [ 0.0003088900000000, 0.0000932600000000, 0.0000551300000000 ] - [ 0.0002163400000000, -0.0003882000000000, -0.0002415200000000 ] - [ -0.0000216800000000, -0.0001865500000000, 0.0004152300000000 ] - [ 0.0000034800000000, 0.0001616500000000, -0.0005166800000000 ] - [ -0.0002734300000000, -0.0000297700000000, -0.0000490900000000 ] - [ 0.0002506800000000, 0.0001189400000000, 0.0002232400000000 ] - [ -0.0002403000000000, 0.0001254400000000, 0.0002346700000000 ] - [ 0.0002512000000000, 0.0000054400000000, -0.0000453800000000 ] - [ 0.0000211200000000, 0.0001335100000000, -0.0004409900000000 ] - [ -0.0000015200000000, -0.0004037600000000, 0.0004321600000000 ] - [ -0.0002244100000000, -0.0004401600000000, -0.0002748800000000 ] - [ -0.0003481300000000, 0.0000941900000000, 0.0000327900000000 ] - [ 0.0019286300000000, -0.0050115800000000, -0.0006781600000000 ] - [ -0.0028837700000000, 0.0017939100000000, 0.0034063300000000 ] - [ -0.0006835200000000, 0.0005058500000000, 0.0001144400000000 ] - [ -0.0010781300000000, 0.0001124000000000, -0.0005896100000000 ] - [ -0.0000537700000000, -0.0015109200000000, -0.0002083300000000 ] - [ 0.0004149700000000, -0.0009756700000000, -0.0001653300000000 ] - [ -0.0000464700000000, 0.0007914900000000, -0.0002293600000000 ] - [ 0.0003622000000000, 0.0004210100000000, -0.0001153400000000 ] - [ -0.0005837900000000, -0.0005888200000000, -0.0001096400000000 ] - [ -0.0015862300000000, 0.0004100600000000, -0.0008861400000000 ] - [ 0.0000387500000000, 0.0008542500000000, -0.0002899100000000 ] - [ 0.0595253400000000, 0.0354112000000000, 0.0599196300000000 ] - [ -0.0006683500000000, -0.0006729900000000, -0.0001284600000000 ] - [ 0.0004683100000000, -0.0009501500000000, -0.0001518800000000 ] - [ -0.0007946200000000, 0.0000307600000000, -0.0000409100000000 ] - [ 0.0004531100000000, 0.0001744000000000, -0.0000866200000000 ] - [ 0.0127762800000000, 0.0058407500000000, 0.0199752900000000 ] - [ 0.0008781700000000, 0.0047226100000000, -0.0028846800000000 ] - [ 0.0009973100000000, 0.0002453600000000, 0.0003953200000000 ] - [ -0.0736200800000000, -0.0507380300000000, -0.0945456500000000 ] - [ 0.0012075800000000, 0.0207728700000000, 0.0302753800000000 ] - [ -0.0011787700000000, 0.0005994400000000, 0.0006516900000000 ] - [ -0.0046149000000000, -0.0079267100000000, 0.0022113400000000 ] - [ 0.0003556800000000, 0.0000900900000000, 0.0009597000000000 ] - [ 0.0008882400000000, -0.0000558500000000, -0.0005246700000000 ] - [ -0.0033201600000000, 0.0006497000000000, 0.0031721400000000 ] - [ 0.0003164000000000, -0.0000377100000000, -0.0009048300000000 ] - [ 0.0001171500000000, -0.0000706300000000, -0.0000772100000000 ] - [ -0.0005450800000000, 0.0002865400000000, -0.0017753100000000 ] - [ 0.0018722600000000, -0.0000178200000000, -0.0000506500000000 ] - [ 0.0007674500000000, -0.0002864100000000, 0.0002986200000000 ] - [ 0.0029906100000000, -0.0005995900000000, 0.0002275400000000 ] - [ -0.0003397700000000, -0.0004027000000000, 0.0012630500000000 ] - [ -0.0004445000000000, 0.0002218400000000, -0.0003913600000000 ] - [ 0.0003849300000000, 0.0000947400000000, -0.0002520500000000 ] - [ 0.0005622100000000, 0.0001410200000000, 0.0009435000000000 ] - [ 0.0007212400000000, 0.0002653800000000, -0.0004877800000000 ] - [ -0.0006266600000000, -0.0003115700000000, 0.0001843500000000 ] - [ 0.0001474500000000, 0.0003644900000000, -0.0000851500000000 ] - [ 0.0001771900000000, 0.0000576200000000, 0.0001701700000000 ] - [ -0.0000921300000000, 0.0000941200000000, 0.0001087900000000 ] - [ -0.0001902900000000, -0.0000413300000000, -0.0000928000000000 ] - [ 0.0005386200000000, 0.0004690300000000, 0.0002124400000000 ] - [ -0.0005324400000000, -0.0000602200000000, -0.0003648100000000 ] - [ -0.0003587500000000, 0.0001606200000000, 0.0009478300000000 ] - [ -0.0003686800000000, 0.0001145300000000, -0.0002296600000000 ] - [ 0.0003201400000000, 0.0000635000000000, -0.0002633400000000 ] - [ -0.0005607400000000, -0.0011451200000000, 0.0003122100000000 ] - [ 0.0001993100000000, -0.0001422800000000, -0.0005250600000000 ] - [ -0.0008233700000000, 0.0003596700000000, 0.0001877200000000 ] - [ 0.0000234500000000, -0.0002930000000000, -0.0000759300000000 ] - [ -0.0000577200000000, -0.0000978700000000, 0.0001873000000000 ] - [ -0.0001156600000000, 0.0001305300000000, 0.0001757400000000 ] - [ -0.0000750700000000, 0.0004804400000000, -0.0000831300000000 ] - [ 0.0007564100000000, -0.0002636200000000, 0.0001963000000000 ] - [ -0.0005792100000000, 0.0003502100000000, -0.0004349100000000 ] - [ -0.0002473300000000, 0.0002464200000000, 0.0008644200000000 ] - [ -0.0003573500000000, 0.0001080700000000, -0.0002763300000000 ] - [ 0.0006125100000000, -0.0003657600000000, -0.0004047800000000 ] - [ 0.0003011300000000, 0.0001632200000000, 0.0009000100000000 ] - [ 0.0006066000000000, 0.0002763900000000, -0.0004136700000000 ] - [ -0.0007754800000000, -0.0002003300000000, 0.0001838800000000 ] - [ 0.0002493400000000, 0.0001996800000000, -0.0000372400000000 ] - [ 0.0001618000000000, 0.0000449600000000, 0.0001406600000000 ] - [ 0.0003263500000000, -0.0000354200000000, 0.0001037000000000 ] - [ 0.0004355800000000, -0.0003767400000000, 0.0000100900000000 ] - [ 0.0008205700000000, 0.0002770000000000, 0.0001779300000000 ] - [ 0.0002496200000000, -0.0002980000000000, -0.0001796400000000 ] - [ -0.0001105600000000, -0.0001999600000000, 0.0008979300000000 ] - [ -0.0000629300000000, -0.0001086600000000, -0.0003258900000000 ] - [ 0.0004303400000000, -0.0001473900000000, -0.0003386300000000 ] - [ 0.0002965000000000, -0.0000142400000000, 0.0009193100000000 ] - [ 0.0004801300000000, -0.0002369400000000, -0.0004083500000000 ] - [ -0.0003216800000000, 0.0000107900000000, 0.0001052400000000 ] - [ 0.0000480400000000, -0.0006251000000000, -0.0000117000000000 ] - [ 0.0000472400000000, -0.0000882800000000, 0.0001473400000000 ] - [ -0.0000182400000000, -0.0000363700000000, 0.0005414100000000 ] - [ 0.0003480500000000, -0.0002160700000000, 0.0000810200000000 ] - [ 0.0006232400000000, -0.0005316000000000, 0.0000252300000000 ] - [ 0.0015128100000000, 0.0003333700000000, 0.0002340500000000 ] - [ 0.0000983700000000, 0.0005301000000000, 0.0006599600000000 ] - [ -0.0010354800000000, -0.0005057100000000, 0.0000077800000000 ] - [ 0.0002293800000000, 0.0002222300000000, -0.0004086300000000 ] - [ 0.0021703500000000, -0.0020077800000000, 0.0007553600000000 ] - [ -0.0005094200000000, 0.0001065200000000, 0.0003881600000000 ] - [ -0.0032099300000000, 0.0002837400000000, 0.0038420500000000 ] - [ -0.0007350700000000, 0.0012615100000000, -0.0002158800000000 ] - [ -0.0006057300000000, 0.0002726800000000, -0.0006038800000000 ] - [ -0.0000772000000000, 0.0000279000000000, 0.0001337400000000 ] - [ -0.0001340900000000, -0.0002062300000000, -0.0000927400000000 ] - [ 0.0009838000000000, 0.0002777200000000, 0.0001931500000000 ] - [ -0.0005149200000000, -0.0001251900000000, -0.0003945800000000 ] - [ -0.0002641900000000, -0.0000028100000000, 0.0009150300000000 ] - [ -0.0003693600000000, 0.0000201900000000, -0.0002430500000000 ] - [ 0.0004341900000000, 0.0000762100000000, -0.0002192100000000 ] - [ 0.0006368500000000, 0.0000993200000000, 0.0009843600000000 ] - [ 0.0007841500000000, -0.0001318900000000, -0.0004078700000000 ] - [ -0.0007980400000000, 0.0003559800000000, 0.0001855600000000 ] - [ 0.0002757700000000, -0.0000675900000000, -0.0000873100000000 ] - [ 0.0002536500000000, 0.0001034000000000, 0.0001347600000000 ] - [ -0.0001513200000000, 0.0001390700000000, 0.0001899800000000 ] - [ -0.0000595400000000, 0.0005321700000000, -0.0000906800000000 ] - [ 0.0008655300000000, -0.0001194500000000, 0.0001760700000000 ] - [ -0.0006512300000000, 0.0004000000000000, -0.0004352000000000 ] - [ -0.0003898500000000, 0.0001978300000000, 0.0009297000000000 ] - [ -0.0003125400000000, 0.0002009200000000, -0.0002728500000000 ] - [ 0.0004659700000000, 0.0003914700000000, -0.0002407400000000 ] - [ 0.0003029100000000, 0.0003307900000000, 0.0008727900000000 ] - [ 0.0006838300000000, 0.0005645900000000, -0.0005085000000000 ] - [ -0.0008149500000000, -0.0001405100000000, 0.0001784600000000 ] - [ -0.0001404600000000, 0.0012193900000000, -0.0000876100000000 ] - [ 0.0001215900000000, 0.0002717000000000, 0.0003063900000000 ]- atom: 124 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017708000000000, 0.0003820300000000, 0.0017087400000000 ] - [ 0.0004872700000000, -0.0002014000000000, -0.0004411800000000 ] - [ -0.0000811200000000, 0.0001460400000000, -0.0004427100000000 ] - [ 0.0000527000000000, 0.0001094000000000, -0.0004596400000000 ] - [ 0.0005769200000000, -0.0005484600000000, -0.0008269400000000 ] - [ -0.0005764800000000, 0.0009344300000000, -0.0016968800000000 ] - [ 0.0000700900000000, 0.0002748700000000, -0.0004586700000000 ] - [ 0.0000069200000000, 0.0003932200000000, -0.0003371100000000 ] - [ 0.0004501700000000, -0.0002065300000000, -0.0002292400000000 ] - [ -0.0028822100000000, -0.0046131100000000, 0.0047913800000000 ] - [ -0.0006554100000000, 0.0012226200000000, 0.0017990200000000 ] - [ 0.0046480300000000, 0.0107527400000000, 0.0093996100000000 ] - [ -0.0000848700000000, -0.0001758400000000, -0.0000550500000000 ] - [ 0.0002916600000000, -0.0001504000000000, 0.0002314200000000 ] - [ -0.0049944800000000, -0.0061408000000000, -0.0023454800000000 ] - [ -0.0030688900000000, -0.0000985400000000, 0.0034326500000000 ] - [ 0.0000434600000000, -0.0001559400000000, -0.0004754600000000 ] - [ -0.0000916500000000, 0.0006759700000000, -0.0019980700000000 ] - [ -0.0001767800000000, 0.0003586700000000, -0.0002140400000000 ] - [ -0.0013046900000000, 0.0003245400000000, 0.0001998100000000 ] - [ 0.0002831200000000, 0.0000035100000000, 0.0000750000000000 ] - [ 0.0001531600000000, -0.0004504000000000, -0.0002771500000000 ] - [ 0.0000754000000000, 0.0001346700000000, -0.0002066600000000 ] - [ -0.0000751200000000, -0.0002728800000000, 0.0001278000000000 ] - [ -0.0001986800000000, 0.0000659800000000, -0.0000528300000000 ] - [ 0.0003013000000000, 0.0002751600000000, 0.0002514100000000 ] - [ -0.0001030500000000, -0.0002581200000000, -0.0000861900000000 ] - [ 0.0003400600000000, 0.0000060300000000, -0.0000501200000000 ] - [ 0.0000680100000000, 0.0003046700000000, -0.0006222100000000 ] - [ -0.0000095000000000, -0.0000993400000000, 0.0003355100000000 ] - [ -0.0001406800000000, -0.0002994100000000, -0.0001331100000000 ] - [ -0.0002173800000000, 0.0001719800000000, 0.0000607300000000 ] - [ 0.0003250500000000, -0.0000802000000000, 0.0000680100000000 ] - [ 0.0002133200000000, 0.0004092700000000, -0.0002566400000000 ] - [ -0.0000141100000000, 0.0001991900000000, 0.0004133200000000 ] - [ -0.0000269600000000, -0.0001655200000000, -0.0004675800000000 ] - [ -0.0004743300000000, -0.0000627800000000, -0.0000399400000000 ] - [ 0.0000299900000000, 0.0000563500000000, 0.0001227700000000 ] - [ -0.0002886500000000, -0.0001681400000000, 0.0002486400000000 ] - [ 0.0002212200000000, -0.0000003600000000, -0.0000451600000000 ] - [ -0.0000586200000000, -0.0001252300000000, -0.0009615200000000 ] - [ -0.0000333200000000, 0.0001377900000000, 0.0003516300000000 ] - [ -0.0002199800000000, 0.0001842200000000, -0.0000829000000000 ] - [ -0.0003463700000000, -0.0001066600000000, 0.0000368700000000 ] - [ 0.0003023600000000, 0.0001375600000000, 0.0000936300000000 ] - [ 0.0001856000000000, -0.0002552300000000, -0.0001560100000000 ] - [ 0.0000252400000000, -0.0000728900000000, 0.0003063200000000 ] - [ -0.0000208200000000, 0.0002969000000000, -0.0006465100000000 ] - [ -0.0002349000000000, 0.0000200800000000, -0.0000348300000000 ] - [ 0.0003122300000000, 0.0002771500000000, 0.0002850700000000 ] - [ -0.0003033400000000, 0.0002866400000000, 0.0002870400000000 ] - [ 0.0002595900000000, 0.0000632900000000, -0.0000451400000000 ] - [ 0.0000275500000000, 0.0002777200000000, -0.0006059700000000 ] - [ 0.0000911000000000, -0.0002388400000000, 0.0004665100000000 ] - [ -0.0001753800000000, -0.0002942900000000, -0.0001781500000000 ] - [ -0.0003212200000000, 0.0001715900000000, 0.0000895500000000 ] - [ 0.0003563500000000, -0.0001371000000000, 0.0000492700000000 ] - [ 0.0002725900000000, 0.0003370100000000, -0.0002301100000000 ] - [ 0.0001875400000000, 0.0000124700000000, 0.0001973600000000 ] - [ 0.0000347800000000, -0.0002754100000000, -0.0005707300000000 ] - [ -0.0002453100000000, -0.0000497900000000, -0.0000511300000000 ] - [ 0.0002873600000000, -0.0002099000000000, 0.0002607300000000 ] - [ -0.0002288200000000, -0.0002682000000000, 0.0002659300000000 ] - [ 0.0006958300000000, -0.0000842200000000, -0.0001094800000000 ] - [ 0.0000126800000000, -0.0002234100000000, -0.0005450000000000 ] - [ -0.0000371600000000, 0.0000485600000000, 0.0003149400000000 ] - [ -0.0002091500000000, 0.0003396200000000, -0.0002116200000000 ] - [ -0.0001602500000000, -0.0003052300000000, 0.0002425300000000 ] - [ 0.0003288300000000, 0.0001373200000000, 0.0000035100000000 ] - [ 0.0002916600000000, -0.0003639400000000, -0.0002389000000000 ] - [ 0.0001016500000000, -0.0005206700000000, 0.0008595600000000 ] - [ 0.0001720000000000, 0.0004457900000000, -0.0008262600000000 ] - [ -0.0006657500000000, -0.0000949800000000, -0.0002137700000000 ] - [ -0.0002227800000000, 0.0000783400000000, 0.0003107900000000 ] - [ -0.0002249800000000, 0.0004424000000000, 0.0004537900000000 ] - [ 0.0000441900000000, 0.0008019800000000, -0.0008238500000000 ] - [ -0.0000352200000000, -0.0006362300000000, 0.0006851200000000 ] - [ -0.0001226500000000, 0.0000324200000000, 0.0000731900000000 ] - [ -0.0008798500000000, -0.0007402800000000, -0.0015058800000000 ] - [ 0.0017187700000000, 0.0034955400000000, 0.0084373100000000 ] - [ 0.0003737300000000, -0.0001343200000000, 0.0000262600000000 ] - [ 0.0002074400000000, 0.0003690700000000, -0.0002249400000000 ] - [ 0.0000030900000000, 0.0001471600000000, 0.0003766700000000 ] - [ -0.0000135100000000, -0.0001947000000000, -0.0005292400000000 ] - [ -0.0000647800000000, 0.0000000300000000, -0.0000251000000000 ] - [ 0.0004091900000000, -0.0002767100000000, 0.0002973600000000 ] - [ -0.0002659100000000, -0.0001684400000000, 0.0002455300000000 ] - [ 0.0002477300000000, -0.0000217000000000, -0.0000462300000000 ] - [ 0.0000733800000000, -0.0001972900000000, -0.0004933500000000 ] - [ 0.0000422400000000, 0.0001884900000000, 0.0004312400000000 ] - [ -0.0001059000000000, 0.0004231700000000, -0.0002250800000000 ] - [ -0.0003491300000000, -0.0001056900000000, 0.0000369800000000 ] - [ 0.0003605900000000, 0.0001938500000000, 0.0000745800000000 ] - [ 0.0001623800000000, -0.0002541200000000, -0.0001491500000000 ] - [ 0.0000463700000000, -0.0000437800000000, 0.0002787700000000 ] - [ -0.0000471900000000, 0.0003324700000000, -0.0006322200000000 ] - [ -0.0002027600000000, 0.0001083400000000, -0.0000408300000000 ] - [ 0.0003506900000000, 0.0003631500000000, 0.0003204800000000 ] - [ -0.0003607400000000, 0.0003565900000000, 0.0003090100000000 ] - [ 0.0002250500000000, 0.0000735600000000, -0.0000446200000000 ] - [ 0.0000227900000000, 0.0003598200000000, -0.0007065300000000 ] - [ -0.0000238600000000, 0.0001703100000000, 0.0002618300000000 ] - [ -0.0001547000000000, -0.0002031300000000, -0.0001165600000000 ] - [ -0.0003216600000000, 0.0001930000000000, 0.0000968500000000 ] - [ -0.0027380400000000, 0.0036822800000000, 0.0004194200000000 ] - [ 0.0036892800000000, -0.0030217100000000, -0.0036360300000000 ] - [ -0.0001647500000000, 0.0007746600000000, -0.0003786200000000 ] - [ 0.0019080600000000, 0.0011784800000000, 0.0003202000000000 ] - [ -0.0007856100000000, 0.0002128100000000, -0.0000582800000000 ] - [ 0.0004264700000000, -0.0003190100000000, -0.0001008600000000 ] - [ -0.0007932300000000, 0.0004961500000000, -0.0000366000000000 ] - [ 0.0004795500000000, 0.0008628700000000, -0.0001504800000000 ] - [ -0.0002618400000000, -0.0006982400000000, -0.0001561400000000 ] - [ 0.0023998900000000, -0.0016743000000000, 0.0005977900000000 ] - [ -0.0008759400000000, 0.0004364100000000, 0.0000225900000000 ] - [ -0.0600820400000000, -0.0348628900000000, -0.0602710600000000 ] - [ -0.0001753300000000, -0.0006172600000000, -0.0001372400000000 ] - [ 0.0003753200000000, -0.0003423600000000, -0.0001147700000000 ] - [ -0.0000508700000000, 0.0012499700000000, -0.0002236900000000 ] - [ 0.0003897200000000, 0.0011068000000000, -0.0001791300000000 ] - [ -0.0133537700000000, -0.0061095100000000, -0.0201227500000000 ] - [ -0.0010984800000000, -0.0053696000000000, 0.0027620400000000 ] - [ 0.0006091600000000, 0.0002921300000000, -0.0000131800000000 ] - [ 0.0741743100000000, 0.0505352800000000, 0.0937718600000000 ] - [ -0.0017310600000000, -0.0204530400000000, -0.0279058100000000 ] - [ 0.0004388400000000, -0.0006782700000000, -0.0011526700000000 ] - [ 0.0053967300000000, 0.0079293100000000, -0.0027082700000000 ] - [ 0.0002450400000000, -0.0002698700000000, 0.0008595100000000 ] - [ 0.0002451300000000, -0.0004059600000000, -0.0002963600000000 ] - [ 0.0017175100000000, -0.0001296300000000, -0.0028043000000000 ] - [ -0.0000824300000000, -0.0006115200000000, 0.0007255500000000 ] - [ 0.0000987900000000, -0.0000059500000000, 0.0003762400000000 ] - [ 0.0003358000000000, -0.0002109400000000, 0.0020591600000000 ] - [ -0.0020713500000000, 0.0006630100000000, -0.0001255900000000 ] - [ 0.0008433400000000, -0.0002473300000000, 0.0000822800000000 ] - [ -0.0040979400000000, 0.0010547400000000, -0.0010397800000000 ] - [ -0.0002618100000000, 0.0005825700000000, 0.0005567900000000 ] - [ -0.0002830000000000, -0.0001429600000000, -0.0001245900000000 ] - [ 0.0003454200000000, -0.0000134100000000, -0.0002621500000000 ] - [ 0.0000431200000000, 0.0000407400000000, 0.0008751500000000 ] - [ 0.0004167700000000, 0.0002013700000000, -0.0003353100000000 ] - [ -0.0009773200000000, -0.0002263400000000, 0.0001947200000000 ] - [ 0.0000829300000000, 0.0002929700000000, -0.0000943800000000 ] - [ 0.0000408500000000, 0.0000207700000000, 0.0001311200000000 ] - [ -0.0001227800000000, -0.0001708700000000, 0.0001910900000000 ] - [ -0.0000397800000000, -0.0006117700000000, -0.0000877100000000 ] - [ 0.0010671600000000, 0.0000679400000000, 0.0001674300000000 ] - [ -0.0006013700000000, -0.0004031700000000, -0.0004565600000000 ] - [ -0.0002429900000000, -0.0003417000000000, 0.0008713400000000 ] - [ -0.0003621800000000, -0.0001922200000000, -0.0002859400000000 ] - [ 0.0004102400000000, -0.0001423300000000, -0.0002529400000000 ] - [ 0.0011544400000000, 0.0009552300000000, 0.0015034200000000 ] - [ 0.0009296100000000, -0.0003225900000000, -0.0002965900000000 ] - [ -0.0007842700000000, 0.0001771800000000, 0.0001927200000000 ] - [ 0.0002052600000000, -0.0003614700000000, -0.0001029800000000 ] - [ 0.0002714200000000, 0.0000191000000000, 0.0001137100000000 ] - [ -0.0000992700000000, -0.0000503300000000, 0.0001252600000000 ] - [ -0.0001523400000000, 0.0001806200000000, -0.0000955600000000 ] - [ 0.0008502000000000, -0.0002714700000000, 0.0001835200000000 ] - [ -0.0005539200000000, 0.0001177100000000, -0.0003867800000000 ] - [ -0.0003534500000000, -0.0000587800000000, 0.0009535200000000 ] - [ -0.0003726700000000, -0.0000255500000000, -0.0002388100000000 ] - [ 0.0001201100000000, 0.0004447000000000, -0.0001112900000000 ] - [ 0.0002995600000000, 0.0000215300000000, 0.0009184000000000 ] - [ 0.0005279200000000, 0.0001913200000000, -0.0004089700000000 ] - [ -0.0008322400000000, -0.0003328800000000, 0.0001970200000000 ] - [ -0.0000198300000000, 0.0004575800000000, -0.0001418300000000 ] - [ 0.0000540300000000, 0.0000346500000000, 0.0001600000000000 ] - [ -0.0005375300000000, -0.0000450500000000, 0.0001983300000000 ] - [ -0.0006602900000000, -0.0002825700000000, -0.0001890800000000 ] - [ 0.0007878000000000, 0.0002583400000000, 0.0002022600000000 ] - [ -0.0013753800000000, -0.0001715200000000, -0.0006402100000000 ] - [ -0.0004878800000000, 0.0000142500000000, 0.0009199900000000 ] - [ -0.0006651500000000, 0.0000279200000000, -0.0001915200000000 ] - [ 0.0003002300000000, 0.0000656700000000, -0.0001780200000000 ] - [ 0.0003044500000000, -0.0001678500000000, 0.0008994400000000 ] - [ 0.0006518600000000, -0.0002288600000000, -0.0004136300000000 ] - [ -0.0012799700000000, 0.0005206100000000, 0.0002733100000000 ] - [ 0.0001797800000000, -0.0000354200000000, -0.0001668500000000 ] - [ 0.0001675500000000, 0.0000086100000000, 0.0001546200000000 ] - [ -0.0002037100000000, 0.0001127100000000, -0.0002304600000000 ] - [ -0.0005760300000000, 0.0008642900000000, -0.0002542300000000 ] - [ 0.0009815600000000, -0.0000063000000000, 0.0003536100000000 ] - [ -0.0026086100000000, 0.0001390400000000, -0.0010333100000000 ] - [ -0.0006992200000000, -0.0003429600000000, 0.0011521600000000 ] - [ 0.0002967800000000, 0.0005846700000000, -0.0005250100000000 ] - [ 0.0004995900000000, -0.0001404700000000, -0.0001094300000000 ] - [ -0.0015684900000000, 0.0021725800000000, 0.0010831500000000 ] - [ 0.0016302100000000, 0.0003584300000000, -0.0012025100000000 ] - [ 0.0015305100000000, -0.0009029600000000, -0.0034836000000000 ] - [ 0.0009523300000000, -0.0005910300000000, 0.0000341600000000 ] - [ 0.0008130200000000, -0.0001976300000000, 0.0008943500000000 ] - [ -0.0001380300000000, -0.0001051900000000, 0.0001671400000000 ] - [ -0.0000952200000000, -0.0004471200000000, -0.0000874700000000 ] - [ 0.0006246000000000, 0.0002592100000000, 0.0001864200000000 ] - [ -0.0006177500000000, -0.0003390900000000, -0.0004269100000000 ] - [ -0.0003358400000000, -0.0001784000000000, 0.0009040300000000 ] - [ -0.0003602700000000, -0.0000992500000000, -0.0002727500000000 ] - [ 0.0002967900000000, -0.0001545500000000, -0.0002958700000000 ] - [ -0.0000313600000000, -0.0002796400000000, 0.0008357700000000 ] - [ 0.0003498400000000, -0.0003323200000000, -0.0004131000000000 ] - [ -0.0008095600000000, 0.0001807000000000, 0.0001949300000000 ] - [ -0.0000456900000000, -0.0005871500000000, -0.0000923600000000 ] - [ -0.0000380500000000, -0.0001802000000000, 0.0001651600000000 ] - [ -0.0000651100000000, -0.0000590200000000, 0.0001119100000000 ] - [ -0.0001681300000000, 0.0001274000000000, -0.0000888600000000 ] - [ 0.0007418600000000, -0.0004143400000000, 0.0002032400000000 ] - [ -0.0004833600000000, 0.0000689600000000, -0.0003867100000000 ] - [ -0.0002117100000000, -0.0000137400000000, 0.0008891800000000 ] - [ -0.0004174600000000, -0.0001186300000000, -0.0002441000000000 ] - [ 0.0002629100000000, -0.0003076500000000, -0.0002728900000000 ] - [ 0.0002982200000000, -0.0001444000000000, 0.0009451600000000 ] - [ 0.0004513500000000, -0.0000945900000000, -0.0003138900000000 ] - [ -0.0007925400000000, -0.0003932500000000, 0.0002008200000000 ] - [ 0.0003663200000000, -0.0005514900000000, -0.0000920900000000 ] - [ 0.0000944400000000, -0.0001905600000000, -0.0000045400000000 ]- atom: 125 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0064147100000000, -0.0019609000000000, 0.0003966700000000 ] - [ -0.0005333800000000, 0.0003298500000000, -0.0004515300000000 ] - [ 0.0000773600000000, 0.0000404600000000, -0.0004856100000000 ] - [ -0.0005564500000000, -0.0002518800000000, -0.0005003000000000 ] - [ -0.0016853400000000, -0.0000409400000000, -0.0010507700000000 ] - [ 0.0005547100000000, -0.0007476500000000, -0.0002556800000000 ] - [ -0.0000797100000000, 0.0000488800000000, -0.0004315300000000 ] - [ 0.0005898300000000, 0.0006984700000000, -0.0002440300000000 ] - [ 0.0012408600000000, 0.0002160800000000, -0.0010879200000000 ] - [ 0.1066805300000000, 0.1022690900000000, -0.0991080000000000 ] - [ 0.0004973100000000, -0.0003039100000000, -0.0001307900000000 ] - [ 0.0326292400000000, 0.0270334700000000, 0.0178716100000000 ] - [ 0.0010747300000000, -0.0001729500000000, 0.0001488600000000 ] - [ 0.0006049700000000, -0.0004694500000000, 0.0004173000000000 ] - [ 0.0008882600000000, 0.0009193300000000, -0.0002397000000000 ] - [ 0.0041332000000000, 0.0013516300000000, -0.0016548300000000 ] - [ 0.0001469600000000, -0.0004503600000000, -0.0008407600000000 ] - [ -0.0003705300000000, -0.0005009500000000, 0.0006385900000000 ] - [ 0.0001047100000000, -0.0000648400000000, 0.0000790800000000 ] - [ -0.0008551300000000, 0.0000239100000000, -0.0015495600000000 ] - [ 0.0005968900000000, -0.0001731100000000, -0.0003009900000000 ] - [ 0.0000534600000000, 0.0000926400000000, 0.0000374400000000 ] - [ 0.0000805600000000, -0.0000583000000000, 0.0004321400000000 ] - [ -0.0000535300000000, 0.0005818800000000, -0.0009134500000000 ] - [ -0.0010170800000000, -0.0000011100000000, -0.0001498300000000 ] - [ -0.0001664700000000, -0.0003292900000000, 0.0000582000000000 ] - [ -0.0004927500000000, 0.0005801300000000, 0.0004099200000000 ] - [ -0.0002532400000000, 0.0001903400000000, 0.0000042600000000 ] - [ -0.0000807400000000, -0.0001336300000000, -0.0001225200000000 ] - [ -0.0001083100000000, -0.0002032500000000, 0.0003672000000000 ] - [ -0.0005965500000000, -0.0006828800000000, -0.0004937700000000 ] - [ -0.0005540100000000, 0.0001389000000000, -0.0000729600000000 ] - [ 0.0003653100000000, -0.0001432100000000, 0.0000350800000000 ] - [ 0.0002194900000000, 0.0003495100000000, -0.0002147400000000 ] - [ 0.0001113300000000, 0.0001329800000000, 0.0002952200000000 ] - [ -0.0000025500000000, -0.0002254300000000, -0.0005544300000000 ] - [ -0.0000696200000000, 0.0000046500000000, -0.0000368400000000 ] - [ 0.0004093200000000, -0.0002793900000000, 0.0003181100000000 ] - [ -0.0002587200000000, -0.0002043700000000, 0.0002513500000000 ] - [ 0.0003659300000000, -0.0000435300000000, -0.0000621900000000 ] - [ 0.0000943600000000, -0.0001775100000000, -0.0003954400000000 ] - [ 0.0000295300000000, 0.0001497400000000, 0.0003998000000000 ] - [ -0.0002004400000000, 0.0004236800000000, -0.0002720200000000 ] - [ -0.0002905200000000, -0.0001851100000000, 0.0001137400000000 ] - [ 0.0003400000000000, 0.0001817600000000, 0.0000785100000000 ] - [ 0.0003027300000000, -0.0004445800000000, -0.0003299100000000 ] - [ 0.0000106800000000, -0.0001246600000000, 0.0003592600000000 ] - [ 0.0000006800000000, 0.0001209000000000, -0.0003352500000000 ] - [ -0.0002754800000000, 0.0000725300000000, -0.0000552000000000 ] - [ 0.0002966700000000, 0.0002563300000000, 0.0002752300000000 ] - [ -0.0002613000000000, 0.0001128200000000, 0.0002334400000000 ] - [ 0.0002056300000000, -0.0000125800000000, -0.0000548400000000 ] - [ 0.0000121800000000, 0.0002661700000000, -0.0005941600000000 ] - [ -0.0001139800000000, -0.0000048100000000, 0.0002177400000000 ] - [ -0.0001980400000000, -0.0002994300000000, -0.0001844200000000 ] - [ -0.0003779300000000, 0.0001214500000000, 0.0000155400000000 ] - [ 0.0000729600000000, -0.0003263700000000, 0.0003265000000000 ] - [ -0.0000924300000000, 0.0002489400000000, -0.0001159600000000 ] - [ -0.0001683500000000, 0.0002180300000000, 0.0005066200000000 ] - [ -0.0002200100000000, -0.0002955800000000, -0.0006494100000000 ] - [ -0.0009146000000000, -0.0000640200000000, -0.0001381200000000 ] - [ 0.0001126800000000, -0.0000591900000000, 0.0001647600000000 ] - [ -0.0006940100000000, -0.0004740200000000, 0.0004129000000000 ] - [ -0.0004982500000000, 0.0000225500000000, 0.0000556500000000 ] - [ -0.0000593800000000, -0.0001062600000000, -0.0003963900000000 ] - [ -0.0003733400000000, 0.0000808300000000, 0.0002285100000000 ] - [ -0.0003470800000000, 0.0005030300000000, -0.0003249800000000 ] - [ -0.0005315600000000, -0.0002015600000000, -0.0000723000000000 ] - [ 0.0000898200000000, 0.0003509200000000, 0.0002687500000000 ] - [ 0.0001394300000000, -0.0004643600000000, -0.0002780000000000 ] - [ -0.0005853500000000, -0.0007515300000000, 0.0013903000000000 ] - [ -0.0000735700000000, 0.0000982400000000, -0.0004489100000000 ] - [ -0.0007936700000000, 0.0002496200000000, -0.0001918300000000 ] - [ -0.0017765700000000, 0.0011169200000000, 0.0004848800000000 ] - [ -0.0003094400000000, 0.0000591300000000, 0.0002462100000000 ] - [ -0.0002494600000000, -0.0002214100000000, 0.0000464600000000 ] - [ -0.0000147100000000, 0.0002074200000000, 0.0002985800000000 ] - [ -0.0001247300000000, 0.0002505000000000, 0.0000102000000000 ] - [ -0.0000937100000000, -0.0000220600000000, -0.0012466800000000 ] - [ -0.0003574000000000, -0.0007414800000000, -0.0004145700000000 ] - [ 0.0003042500000000, -0.0001328400000000, 0.0000869000000000 ] - [ 0.0001688800000000, 0.0003205100000000, -0.0001948900000000 ] - [ -0.0000739500000000, 0.0001346000000000, 0.0004030700000000 ] - [ -0.0000391500000000, -0.0002419700000000, -0.0005647600000000 ] - [ -0.0003742400000000, -0.0000616100000000, -0.0000561500000000 ] - [ 0.0002108200000000, -0.0001960900000000, 0.0002440500000000 ] - [ -0.0003296200000000, -0.0002479100000000, 0.0002814600000000 ] - [ 0.0001225700000000, -0.0000256900000000, -0.0000304800000000 ] - [ -0.0000224500000000, -0.0002789800000000, -0.0006412100000000 ] - [ -0.0000408800000000, 0.0001051800000000, 0.0003217400000000 ] - [ -0.0002190600000000, 0.0002761400000000, -0.0001691400000000 ] - [ -0.0003785200000000, -0.0000948300000000, 0.0000105600000000 ] - [ 0.0003182300000000, 0.0001285800000000, 0.0000699300000000 ] - [ 0.0001014800000000, -0.0001930300000000, -0.0000847300000000 ] - [ 0.0000196700000000, -0.0000859900000000, 0.0003189800000000 ] - [ -0.0000600800000000, 0.0004021500000000, -0.0007386100000000 ] - [ -0.0002194000000000, 0.0000183800000000, -0.0000376200000000 ] - [ 0.0003105500000000, 0.0002520900000000, 0.0002767900000000 ] - [ -0.0003977600000000, 0.0004449400000000, 0.0003466100000000 ] - [ 0.0002515700000000, 0.0000947000000000, -0.0000409100000000 ] - [ 0.0000313900000000, 0.0002513100000000, -0.0005781500000000 ] - [ 0.0000645300000000, -0.0002141100000000, 0.0004352600000000 ] - [ -0.0001757100000000, -0.0003207800000000, -0.0001929000000000 ] - [ -0.0002839800000000, 0.0001833500000000, 0.0001236200000000 ] - [ 0.0077876700000000, 0.0057244800000000, 0.0004949400000000 ] - [ 0.0021623800000000, 0.0039250100000000, 0.0016183600000000 ] - [ 0.0002663400000000, -0.0038930900000000, -0.0000801500000000 ] - [ -0.0014519800000000, 0.0013581500000000, -0.0003182600000000 ] - [ -0.0001323400000000, -0.0007636900000000, -0.0001566000000000 ] - [ 0.0006992300000000, -0.0009156400000000, -0.0001564500000000 ] - [ -0.0002380900000000, 0.0011142100000000, -0.0002017400000000 ] - [ 0.0002119200000000, 0.0005325500000000, -0.0001305200000000 ] - [ -0.0022918400000000, -0.0015081300000000, -0.0001227000000000 ] - [ -0.0008955500000000, -0.0013971100000000, -0.0001793600000000 ] - [ -0.0026544500000000, 0.0020806000000000, 0.0000411900000000 ] - [ -0.0002911800000000, -0.0006884400000000, 0.0042368500000000 ] - [ -0.0006686300000000, -0.0004643300000000, -0.0001108800000000 ] - [ 0.0001317900000000, -0.0003187500000000, -0.0001222700000000 ] - [ -0.0006142400000000, 0.0003899900000000, -0.0000979000000000 ] - [ 0.0006123700000000, 0.0009345700000000, -0.0001536000000000 ] - [ 0.0009522000000000, 0.0091916400000000, -0.0103772500000000 ] - [ -0.0008021500000000, 0.0012652400000000, -0.0013511700000000 ] - [ -0.0006924700000000, -0.0002266800000000, 0.0004068000000000 ] - [ -0.0076707300000000, 0.0005193000000000, 0.0011603000000000 ] - [ -0.1575356700000000, -0.1365291800000000, 0.0845277600000000 ] - [ -0.0009925600000000, 0.0000433300000000, -0.0000431300000000 ] - [ -0.0002672600000000, 0.0009601400000000, 0.0030215300000000 ] - [ -0.0001282700000000, 0.0002068900000000, 0.0009147800000000 ] - [ -0.0016286300000000, 0.0002660700000000, 0.0004533800000000 ] - [ -0.0000866800000000, -0.0046401400000000, 0.0034172800000000 ] - [ 0.0030553000000000, 0.0050697800000000, -0.0021708100000000 ] - [ -0.0008648700000000, 0.0010500500000000, -0.0005804800000000 ] - [ 0.0002497800000000, -0.0010529300000000, 0.0003288600000000 ] - [ 0.0006957400000000, -0.0029272800000000, -0.0016253300000000 ] - [ 0.0014161600000000, 0.0011511700000000, 0.0004145000000000 ] - [ -0.0000183100000000, -0.0007287600000000, -0.0000104900000000 ] - [ -0.0001853200000000, -0.0004959300000000, 0.0009830900000000 ] - [ 0.0006793100000000, -0.0000409000000000, 0.0009861300000000 ] - [ 0.0005274600000000, 0.0003171400000000, -0.0002594100000000 ] - [ 0.0022430200000000, 0.0000873200000000, 0.0003559900000000 ] - [ 0.0016915900000000, 0.0009786200000000, -0.0006702600000000 ] - [ -0.0002707100000000, -0.0004487900000000, 0.0001760300000000 ] - [ 0.0004477500000000, 0.0007605800000000, -0.0000564100000000 ] - [ 0.0009654800000000, 0.0003586300000000, 0.0003493800000000 ] - [ -0.0002205600000000, -0.0000997300000000, 0.0001708400000000 ] - [ -0.0002122700000000, -0.0005311400000000, -0.0000416200000000 ] - [ 0.0006098800000000, 0.0003059300000000, 0.0001874600000000 ] - [ -0.0007594500000000, -0.0003020400000000, -0.0004673700000000 ] - [ -0.0003733000000000, -0.0001011400000000, 0.0009119700000000 ] - [ -0.0007547000000000, 0.0000369200000000, -0.0003519400000000 ] - [ 0.0002896700000000, -0.0000858400000000, -0.0002698500000000 ] - [ -0.0001304800000000, -0.0006406000000000, 0.0007955600000000 ] - [ 0.0003836900000000, -0.0003362100000000, -0.0004637900000000 ] - [ -0.0009256000000000, 0.0003050300000000, 0.0002057200000000 ] - [ 0.0000044900000000, -0.0004877000000000, -0.0000901200000000 ] - [ 0.0000161400000000, -0.0001695900000000, 0.0001689900000000 ] - [ -0.0001945500000000, 0.0001687500000000, 0.0001940300000000 ] - [ -0.0001247300000000, 0.0004387000000000, -0.0000763400000000 ] - [ 0.0008081500000000, -0.0003408300000000, 0.0002078900000000 ] - [ -0.0006577900000000, 0.0004580500000000, -0.0004985800000000 ] - [ -0.0002322200000000, 0.0007550800000000, 0.0007957800000000 ] - [ -0.0003656000000000, 0.0000389300000000, -0.0002633400000000 ] - [ 0.0006019700000000, -0.0002837500000000, -0.0002663600000000 ] - [ 0.0003265100000000, 0.0000574200000000, 0.0009161200000000 ] - [ 0.0006193500000000, 0.0001726700000000, -0.0004104900000000 ] - [ -0.0007137400000000, -0.0001767000000000, 0.0001985100000000 ] - [ 0.0002741900000000, 0.0001305400000000, -0.0000579000000000 ] - [ 0.0001608000000000, -0.0000162900000000, 0.0001177200000000 ] - [ 0.0006513700000000, -0.0001372100000000, 0.0001072500000000 ] - [ 0.0004046700000000, -0.0006133200000000, -0.0001268400000000 ] - [ 0.0014790100000000, 0.0004660800000000, 0.0002447300000000 ] - [ 0.0005016600000000, -0.0001564400000000, -0.0002205000000000 ] - [ 0.0003633000000000, -0.0001074300000000, 0.0009414400000000 ] - [ -0.0000667700000000, -0.0001108900000000, -0.0003194000000000 ] - [ 0.0012821600000000, 0.0000295100000000, -0.0002843300000000 ] - [ 0.0005533500000000, -0.0002818600000000, 0.0008681600000000 ] - [ 0.0018872700000000, -0.0005198900000000, -0.0007424100000000 ] - [ -0.0000361200000000, 0.0003870300000000, 0.0001558100000000 ] - [ 0.0007138400000000, -0.0005510000000000, -0.0000715300000000 ] - [ 0.0007869700000000, -0.0002879600000000, 0.0002867200000000 ] - [ 0.0003173900000000, 0.0003133600000000, 0.0001981500000000 ] - [ 0.0007310200000000, 0.0011089600000000, -0.0004931500000000 ] - [ 0.0013961100000000, -0.0005835300000000, 0.0003220800000000 ] - [ -0.0002266600000000, 0.0005253200000000, -0.0004456400000000 ] - [ -0.0001826600000000, 0.0004433200000000, 0.0008794000000000 ] - [ 0.0027420000000000, 0.0003608700000000, -0.0002594300000000 ] - [ 0.0004429100000000, -0.0004059100000000, -0.0000697100000000 ] - [ 0.0002005000000000, 0.0002305300000000, 0.0009613700000000 ] - [ 0.0024213800000000, -0.0052784000000000, -0.0022626300000000 ] - [ -0.0006635600000000, 0.0006086800000000, 0.0002873300000000 ] - [ -0.0005891500000000, -0.0006388300000000, -0.0002123800000000 ] - [ -0.0006349200000000, -0.0031303300000000, 0.0016484600000000 ] - [ -0.0000066200000000, -0.0000260600000000, 0.0001474300000000 ] - [ 0.0000024800000000, -0.0002844400000000, -0.0001278300000000 ] - [ 0.0009599100000000, 0.0002303500000000, 0.0001972900000000 ] - [ -0.0004000100000000, -0.0002260600000000, -0.0003724800000000 ] - [ -0.0002315400000000, -0.0001478800000000, 0.0008992200000000 ] - [ -0.0000930800000000, -0.0001473800000000, -0.0001980000000000 ] - [ 0.0004319300000000, -0.0000469200000000, -0.0002486700000000 ] - [ 0.0005530600000000, 0.0001273500000000, 0.0009433300000000 ] - [ 0.0007303000000000, -0.0001967700000000, -0.0004048200000000 ] - [ -0.0006916600000000, 0.0002011800000000, 0.0001826900000000 ] - [ 0.0001914300000000, -0.0002821100000000, -0.0000868600000000 ] - [ 0.0002039000000000, 0.0000220700000000, 0.0001472200000000 ] - [ -0.0000095900000000, -0.0001017300000000, 0.0001004100000000 ] - [ -0.0001087000000000, 0.0001840400000000, -0.0001019100000000 ] - [ 0.0008187800000000, -0.0002389800000000, 0.0001819600000000 ] - [ -0.0004219900000000, -0.0000427700000000, -0.0003568200000000 ] - [ -0.0002310100000000, -0.0003027800000000, 0.0009247800000000 ] - [ -0.0003724800000000, 0.0000080200000000, -0.0002374900000000 ] - [ 0.0003040900000000, 0.0002900200000000, -0.0003131400000000 ] - [ 0.0002833100000000, 0.0000769400000000, 0.0009075900000000 ] - [ 0.0005134000000000, 0.0002532200000000, -0.0004121200000000 ] - [ -0.0008732000000000, -0.0004154900000000, 0.0001963300000000 ] - [ -0.0000291500000000, 0.0005669800000000, -0.0000990500000000 ] - [ 0.0000511700000000, 0.0000723900000000, 0.0001801600000000 ]- atom: 125 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0055833900000000, 0.0019971100000000, -0.0010938000000000 ] - [ 0.0005337900000000, -0.0003276700000000, -0.0004598400000000 ] - [ -0.0000762100000000, -0.0000441300000000, -0.0004245700000000 ] - [ 0.0005556900000000, 0.0002458900000000, -0.0004095200000000 ] - [ 0.0016874400000000, 0.0000468100000000, 0.0001506400000000 ] - [ -0.0005565400000000, 0.0007318600000000, -0.0006494900000000 ] - [ 0.0000791500000000, -0.0000517600000000, -0.0004785900000000 ] - [ -0.0005885200000000, -0.0006987700000000, -0.0006637900000000 ] - [ -0.0005695200000000, -0.0005069500000000, 0.0012149600000000 ] - [ -0.1055453800000000, -0.1053156500000000, 0.1032297000000000 ] - [ -0.0004663200000000, 0.0005245300000000, 0.0008157700000000 ] - [ -0.0311732000000000, -0.0263563400000000, -0.0169467900000000 ] - [ -0.0015457100000000, 0.0000928900000000, -0.0002373200000000 ] - [ -0.0000018500000000, -0.0000153100000000, 0.0001282500000000 ] - [ -0.0014801700000000, -0.0013740500000000, 0.0007690000000000 ] - [ -0.0036271700000000, -0.0014391700000000, 0.0015629400000000 ] - [ -0.0001019400000000, -0.0000461900000000, -0.0003097800000000 ] - [ 0.0003523500000000, 0.0007270400000000, 0.0000601800000000 ] - [ -0.0004815400000000, 0.0007038100000000, -0.0004685000000000 ] - [ 0.0001886400000000, -0.0003157200000000, 0.0016811200000000 ] - [ 0.0000753100000000, 0.0004588700000000, 0.0004271900000000 ] - [ 0.0003259400000000, -0.0007336200000000, -0.0004280500000000 ] - [ -0.0000491600000000, -0.0001649600000000, 0.0002563900000000 ] - [ 0.0000104900000000, -0.0000861000000000, -0.0002366200000000 ] - [ 0.0005356300000000, 0.0000797300000000, 0.0000591900000000 ] - [ 0.0007663300000000, 0.0008115600000000, 0.0004857200000000 ] - [ -0.0001080900000000, -0.0000961900000000, 0.0001351800000000 ] - [ 0.0007348000000000, -0.0001086300000000, -0.0000949500000000 ] - [ 0.0001251900000000, 0.0006270100000000, -0.0010239600000000 ] - [ 0.0000831300000000, -0.0000264600000000, 0.0003260600000000 ] - [ 0.0002150400000000, 0.0000397600000000, 0.0001013800000000 ] - [ -0.0001149300000000, 0.0001508100000000, 0.0002036400000000 ] - [ 0.0003039800000000, -0.0001460300000000, 0.0000955800000000 ] - [ 0.0001596900000000, 0.0002916600000000, -0.0001762700000000 ] - [ -0.0000847700000000, 0.0000943100000000, 0.0003962700000000 ] - [ -0.0000410400000000, -0.0002701600000000, -0.0005949400000000 ] - [ -0.0004058600000000, -0.0000853000000000, -0.0000528600000000 ] - [ 0.0001952900000000, -0.0002085400000000, 0.0002287800000000 ] - [ -0.0003426600000000, -0.0002798800000000, 0.0002936800000000 ] - [ 0.0001131400000000, -0.0000367900000000, -0.0000280400000000 ] - [ -0.0000490100000000, -0.0003201000000000, -0.0007552100000000 ] - [ -0.0000546700000000, 0.0000779100000000, 0.0002924200000000 ] - [ -0.0001767000000000, 0.0002160200000000, -0.0001177400000000 ] - [ -0.0003784700000000, -0.0001033900000000, 0.0000159500000000 ] - [ 0.0003304700000000, 0.0001054300000000, 0.0000503300000000 ] - [ 0.0000780400000000, -0.0001999700000000, -0.0000635600000000 ] - [ 0.0000148800000000, -0.0001046800000000, 0.0003341400000000 ] - [ -0.0000438900000000, 0.0003715100000000, -0.0008101800000000 ] - [ -0.0002006600000000, 0.0000069900000000, -0.0000346500000000 ] - [ 0.0003046200000000, 0.0002251100000000, 0.0002687900000000 ] - [ -0.0003385600000000, 0.0003673100000000, 0.0003101600000000 ] - [ 0.0002730100000000, 0.0000915100000000, -0.0000354200000000 ] - [ 0.0000321000000000, 0.0002273200000000, -0.0005530000000000 ] - [ 0.0000901100000000, -0.0002245600000000, 0.0004768100000000 ] - [ -0.0001807800000000, -0.0003434700000000, -0.0002077700000000 ] - [ -0.0002917700000000, 0.0001652100000000, 0.0001128200000000 ] - [ 0.0005962800000000, 0.0000377500000000, -0.0001963600000000 ] - [ 0.0004712300000000, 0.0003951300000000, -0.0002763000000000 ] - [ 0.0001924900000000, 0.0000122000000000, 0.0001889400000000 ] - [ 0.0001756400000000, -0.0001967500000000, -0.0004970800000000 ] - [ 0.0004362000000000, -0.0000161800000000, 0.0000480800000000 ] - [ 0.0004892200000000, -0.0004252300000000, 0.0003804000000000 ] - [ 0.0000937900000000, -0.0000059400000000, 0.0001304100000000 ] - [ 0.0009740000000000, -0.0001016100000000, -0.0001454800000000 ] - [ 0.0001034000000000, -0.0003900900000000, -0.0007538700000000 ] - [ 0.0003494800000000, 0.0001474200000000, 0.0004639600000000 ] - [ -0.0000317900000000, 0.0001378800000000, -0.0000658200000000 ] - [ -0.0001394300000000, -0.0000832400000000, 0.0001994700000000 ] - [ 0.0005796200000000, -0.0000637300000000, -0.0001383700000000 ] - [ 0.0002373100000000, -0.0001764100000000, -0.0001121000000000 ] - [ 0.0006149400000000, 0.0005318700000000, -0.0007111700000000 ] - [ 0.0000282200000000, 0.0003960600000000, -0.0007000900000000 ] - [ 0.0003088900000000, -0.0001729200000000, 0.0001019200000000 ] - [ 0.0024104400000000, -0.0006553700000000, 0.0000529600000000 ] - [ -0.0002945600000000, 0.0004241700000000, 0.0002993000000000 ] - [ 0.0007153000000000, 0.0003036600000000, -0.0001356900000000 ] - [ 0.0000632400000000, 0.0002865800000000, -0.0014598500000000 ] - [ 0.0000987700000000, -0.0004774300000000, 0.0006783900000000 ] - [ -0.0002891600000000, -0.0006275800000000, 0.0008623200000000 ] - [ -0.0003219300000000, 0.0010305900000000, 0.0005203400000000 ] - [ 0.0003655000000000, -0.0001557200000000, 0.0000432800000000 ] - [ 0.0002101900000000, 0.0003204900000000, -0.0001959800000000 ] - [ 0.0001002800000000, 0.0000922800000000, 0.0002881100000000 ] - [ -0.0000044400000000, -0.0002539600000000, -0.0005850300000000 ] - [ -0.0001028800000000, -0.0000185400000000, -0.0000336600000000 ] - [ 0.0003908900000000, -0.0002881000000000, 0.0003012600000000 ] - [ -0.0002720200000000, -0.0002367500000000, 0.0002638500000000 ] - [ 0.0003557100000000, -0.0000547200000000, -0.0000597000000000 ] - [ 0.0000665100000000, -0.0002170800000000, -0.0005089300000000 ] - [ 0.0000155500000000, 0.0001226200000000, 0.0003704400000000 ] - [ -0.0001595300000000, 0.0003643600000000, -0.0002214300000000 ] - [ -0.0002908400000000, -0.0001934300000000, 0.0001186700000000 ] - [ 0.0003514100000000, 0.0001588000000000, 0.0000594500000000 ] - [ 0.0002778900000000, -0.0004503200000000, -0.0003075400000000 ] - [ 0.0000054400000000, -0.0001435900000000, 0.0003749500000000 ] - [ 0.0000161800000000, 0.0000916500000000, -0.0004082000000000 ] - [ -0.0002586600000000, 0.0000607100000000, -0.0000524900000000 ] - [ 0.0002904900000000, 0.0002290900000000, 0.0002671100000000 ] - [ -0.0002033000000000, 0.0000368800000000, 0.0001973600000000 ] - [ 0.0002267500000000, -0.0000154500000000, -0.0000493800000000 ] - [ 0.0000128100000000, 0.0002419900000000, -0.0005688500000000 ] - [ -0.0000887700000000, -0.0000174900000000, 0.0002601500000000 ] - [ -0.0002033700000000, -0.0003225800000000, -0.0001995200000000 ] - [ -0.0003856500000000, 0.0001035200000000, 0.0000047900000000 ] - [ -0.0086623200000000, -0.0070063200000000, -0.0007163600000000 ] - [ -0.0012739500000000, -0.0051961300000000, -0.0018762800000000 ] - [ -0.0010959900000000, 0.0051618400000000, -0.0001883000000000 ] - [ 0.0022965200000000, -0.0000526400000000, 0.0000480800000000 ] - [ -0.0007135900000000, -0.0005329200000000, -0.0001131500000000 ] - [ 0.0001494800000000, -0.0003791900000000, -0.0001126300000000 ] - [ -0.0006046300000000, 0.0001688800000000, -0.0000667000000000 ] - [ 0.0006355800000000, 0.0007483900000000, -0.0001374900000000 ] - [ 0.0014415300000000, 0.0002186300000000, -0.0001463000000000 ] - [ 0.0017281800000000, 0.0001279300000000, -0.0000913800000000 ] - [ 0.0018161700000000, -0.0008021600000000, -0.0003109700000000 ] - [ 0.0010067100000000, 0.0019667800000000, -0.0044419000000000 ] - [ -0.0001770900000000, -0.0008248100000000, -0.0001584100000000 ] - [ 0.0007138100000000, -0.0009743100000000, -0.0001475400000000 ] - [ -0.0002363700000000, 0.0008923700000000, -0.0001695400000000 ] - [ 0.0002339800000000, 0.0003482400000000, -0.0001147300000000 ] - [ -0.0010819900000000, -0.0092001000000000, 0.0105701700000000 ] - [ 0.0005833900000000, -0.0019047700000000, 0.0011561900000000 ] - [ 0.0023035700000000, 0.0007615200000000, -0.0000310000000000 ] - [ 0.0066027200000000, -0.0008111300000000, -0.0017789500000000 ] - [ 0.1536685900000000, 0.1385554300000000, -0.0897152200000000 ] - [ 0.0002495400000000, -0.0001227500000000, -0.0004618600000000 ] - [ 0.0010021200000000, -0.0010553300000000, -0.0034995400000000 ] - [ 0.0007282100000000, -0.0003969100000000, 0.0009017900000000 ] - [ 0.0027357600000000, -0.0007240000000000, -0.0012640700000000 ] - [ -0.0015336600000000, 0.0051418400000000, -0.0030124800000000 ] - [ -0.0027915200000000, -0.0057031400000000, 0.0019598700000000 ] - [ 0.0010711600000000, -0.0011212600000000, 0.0008692900000000 ] - [ -0.0004692800000000, 0.0011266400000000, -0.0000395600000000 ] - [ -0.0009198800000000, 0.0035661100000000, 0.0014319700000000 ] - [ 0.0001965900000000, -0.0016773700000000, -0.0000284100000000 ] - [ -0.0011134100000000, 0.0011824500000000, -0.0008079300000000 ] - [ -0.0004173200000000, 0.0006873900000000, 0.0008331200000000 ] - [ -0.0014131400000000, 0.0001172900000000, -0.0014760900000000 ] - [ 0.0002092300000000, -0.0002278300000000, -0.0002474800000000 ] - [ -0.0016271800000000, 0.0001002100000000, 0.0014537400000000 ] - [ -0.0005594500000000, -0.0005184500000000, -0.0001510500000000 ] - [ -0.0013422000000000, -0.0000912700000000, 0.0002097700000000 ] - [ -0.0002196600000000, -0.0000874200000000, -0.0001244300000000 ] - [ -0.0007488100000000, -0.0002796800000000, -0.0000550100000000 ] - [ 0.0000079700000000, 0.0000237200000000, 0.0001216000000000 ] - [ -0.0000164500000000, -0.0001363400000000, -0.0001403900000000 ] - [ 0.0010007500000000, 0.0002340300000000, 0.0001976500000000 ] - [ -0.0003679100000000, -0.0001539700000000, -0.0003527900000000 ] - [ -0.0002289700000000, -0.0000894500000000, 0.0009049200000000 ] - [ 0.0000165400000000, -0.0001218400000000, -0.0001532100000000 ] - [ 0.0004474100000000, 0.0000011900000000, -0.0002364100000000 ] - [ 0.0007263600000000, 0.0004487900000000, 0.0010204100000000 ] - [ 0.0007375700000000, -0.0001170800000000, -0.0003546100000000 ] - [ -0.0006865600000000, 0.0002324600000000, 0.0001803900000000 ] - [ 0.0002233600000000, -0.0001780500000000, -0.0000919000000000 ] - [ 0.0001951000000000, 0.0000931200000000, 0.0001231800000000 ] - [ -0.0000193900000000, -0.0000882200000000, 0.0001002300000000 ] - [ -0.0001016800000000, 0.0002351200000000, -0.0001044800000000 ] - [ 0.0008022300000000, -0.0001938500000000, 0.0001764500000000 ] - [ -0.0004708900000000, 0.0000043700000000, -0.0003218800000000 ] - [ -0.0003695800000000, -0.0005543500000000, 0.0010195800000000 ] - [ -0.0003708700000000, 0.0000501400000000, -0.0002424900000000 ] - [ 0.0001347100000000, 0.0003703700000000, -0.0002421600000000 ] - [ 0.0002742900000000, 0.0001385200000000, 0.0008996700000000 ] - [ 0.0005102200000000, 0.0002885500000000, -0.0004106300000000 ] - [ -0.0008976000000000, -0.0003568800000000, 0.0001875500000000 ] - [ -0.0000486300000000, 0.0005439000000000, -0.0001245700000000 ] - [ 0.0000530300000000, 0.0000951600000000, 0.0001752600000000 ] - [ -0.0008629000000000, 0.0000552100000000, 0.0001866800000000 ] - [ -0.0006276900000000, -0.0000660900000000, -0.0000548900000000 ] - [ 0.0001340700000000, 0.0000713300000000, 0.0001398600000000 ] - [ -0.0016277400000000, -0.0003092500000000, -0.0005993200000000 ] - [ -0.0009629600000000, -0.0000898600000000, 0.0008742700000000 ] - [ -0.0006689700000000, 0.0000231600000000, -0.0001899700000000 ] - [ -0.0005474800000000, -0.0001178800000000, -0.0002223000000000 ] - [ 0.0000493500000000, 0.0000919300000000, 0.0009495900000000 ] - [ -0.0007643500000000, 0.0000650100000000, -0.0000763500000000 ] - [ -0.0015726800000000, 0.0001434800000000, 0.0002287100000000 ] - [ -0.0004864900000000, -0.0001190100000000, -0.0001086000000000 ] - [ -0.0005731600000000, 0.0002117200000000, 0.0000049200000000 ] - [ -0.0005215800000000, -0.0002391500000000, 0.0000942800000000 ] - [ -0.0009577300000000, -0.0004538900000000, 0.0003174000000000 ] - [ 0.0002201300000000, 0.0000480500000000, 0.0000625500000000 ] - [ -0.0008797800000000, -0.0000688300000000, -0.0003683800000000 ] - [ -0.0004137600000000, -0.0002479100000000, 0.0009360200000000 ] - [ -0.0035299000000000, -0.0002809500000000, -0.0002486600000000 ] - [ 0.0002962000000000, 0.0004927500000000, -0.0004338200000000 ] - [ 0.0004065100000000, -0.0000511400000000, 0.0008560300000000 ] - [ -0.0013320600000000, 0.0058153600000000, 0.0014766600000000 ] - [ -0.0009312000000000, -0.0011414800000000, 0.0000991700000000 ] - [ 0.0008285800000000, 0.0013087100000000, 0.0000320900000000 ] - [ 0.0008747200000000, 0.0031996100000000, -0.0013536000000000 ] - [ -0.0002060900000000, -0.0000506300000000, 0.0001465600000000 ] - [ -0.0002310900000000, -0.0003795800000000, -0.0000541700000000 ] - [ 0.0006516600000000, 0.0003068800000000, 0.0001876400000000 ] - [ -0.0007248400000000, -0.0002296900000000, -0.0004463600000000 ] - [ -0.0003697200000000, -0.0000430900000000, 0.0009179500000000 ] - [ -0.0006434100000000, 0.0000636300000000, -0.0003077400000000 ] - [ 0.0003056300000000, -0.0000366100000000, -0.0002577200000000 ] - [ 0.0000494600000000, -0.0003202000000000, 0.0008739600000000 ] - [ 0.0003948000000000, -0.0002591400000000, -0.0004131000000000 ] - [ -0.0009186100000000, 0.0003353700000000, 0.0002033500000000 ] - [ 0.0000385400000000, -0.0003846500000000, -0.0000949900000000 ] - [ 0.0000104200000000, -0.0000994300000000, 0.0001458300000000 ] - [ -0.0002032600000000, 0.0001810600000000, 0.0001934700000000 ] - [ -0.0001158900000000, 0.0004899700000000, -0.0000800700000000 ] - [ 0.0007934500000000, -0.0002960100000000, 0.0002022500000000 ] - [ -0.0007060200000000, 0.0005036800000000, -0.0004637800000000 ] - [ -0.0003676400000000, 0.0004996800000000, 0.0008905100000000 ] - [ -0.0003628200000000, 0.0000808700000000, -0.0002697600000000 ] - [ 0.0004355100000000, -0.0002014100000000, -0.0001965800000000 ] - [ 0.0003183100000000, 0.0001196600000000, 0.0009083600000000 ] - [ 0.0006175900000000, 0.0002095300000000, -0.0004093800000000 ] - [ -0.0007381800000000, -0.0001182400000000, 0.0001892400000000 ] - [ 0.0002535800000000, 0.0001145700000000, -0.0000830500000000 ] - [ 0.0001636700000000, 0.0000084800000000, 0.0001138100000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030917300000000, 0.0074635300000000, 0.0001504300000000 ] - [ 0.0003172000000000, -0.0004482600000000, -0.0005912500000000 ] - [ 0.0000105300000000, -0.0013604600000000, -0.0004357600000000 ] - [ -0.0001232800000000, -0.0003140700000000, -0.0003381800000000 ] - [ 0.0000444800000000, 0.0027472000000000, -0.0004315900000000 ] - [ -0.0004366500000000, -0.0026153600000000, -0.0001324800000000 ] - [ 0.0000528700000000, -0.0012572000000000, -0.0004719600000000 ] - [ -0.0001667000000000, -0.0028006600000000, -0.0012240600000000 ] - [ 0.0000216000000000, 0.0002058800000000, 0.0009799800000000 ] - [ 0.0965298400000000, 0.1346446900000000, -0.0974544700000000 ] - [ 0.0004824800000000, -0.0009109100000000, -0.0005109800000000 ] - [ 0.0319596000000000, 0.1052847200000000, 0.0999734200000000 ] - [ -0.0017165100000000, -0.0001070500000000, -0.0002763300000000 ] - [ 0.0002120400000000, -0.0006994500000000, 0.0003927700000000 ] - [ 0.0008491500000000, 0.0034859800000000, -0.0006747100000000 ] - [ 0.0014807500000000, -0.0018274600000000, 0.0012245300000000 ] - [ -0.0001749100000000, -0.0006961800000000, -0.0009818600000000 ] - [ 0.0000791100000000, 0.0003453100000000, 0.0014933900000000 ] - [ -0.0003758700000000, 0.0001124600000000, -0.0000839800000000 ] - [ 0.0006189400000000, -0.0005041100000000, 0.0021054400000000 ] - [ -0.0001353400000000, 0.0004649100000000, 0.0005658600000000 ] - [ 0.0005168400000000, -0.0008057100000000, -0.0004905000000000 ] - [ 0.0005436300000000, 0.0008871000000000, -0.0005497800000000 ] - [ 0.0001430500000000, -0.0001429600000000, -0.0001805000000000 ] - [ -0.0007209300000000, 0.0002644200000000, -0.0000724100000000 ] - [ 0.0004981200000000, 0.0010836100000000, 0.0005619300000000 ] - [ 0.0000317600000000, -0.0002236500000000, 0.0000749400000000 ] - [ 0.0013006700000000, 0.0001659400000000, -0.0002095100000000 ] - [ 0.0000202400000000, 0.0009109600000000, -0.0011845000000000 ] - [ -0.0001100800000000, -0.0000639700000000, 0.0002596300000000 ] - [ -0.0000547300000000, 0.0002400000000000, 0.0001500500000000 ] - [ -0.0001616700000000, 0.0003943900000000, 0.0002899100000000 ] - [ 0.0002101100000000, -0.0004287000000000, 0.0002926200000000 ] - [ 0.0000356900000000, -0.0001427500000000, 0.0001099300000000 ] - [ 0.0001219200000000, -0.0003832600000000, -0.0000192100000000 ] - [ -0.0000444300000000, -0.0006996000000000, -0.0010703400000000 ] - [ -0.0001890900000000, -0.0002572100000000, -0.0000366400000000 ] - [ 0.0006539400000000, -0.0009829200000000, 0.0005620800000000 ] - [ -0.0004890400000000, -0.0007450400000000, 0.0004537500000000 ] - [ 0.0001663900000000, -0.0002481900000000, -0.0000318100000000 ] - [ 0.0001081200000000, -0.0007941700000000, -0.0010817500000000 ] - [ -0.0001531600000000, -0.0002457900000000, 0.0000067500000000 ] - [ 0.0000420200000000, -0.0001734100000000, 0.0001314900000000 ] - [ -0.0003164600000000, -0.0003512600000000, 0.0001836600000000 ] - [ 0.0004644500000000, -0.0001124900000000, -0.0001527800000000 ] - [ 0.0001545500000000, -0.0006627700000000, -0.0003743600000000 ] - [ -0.0001291000000000, -0.0004384000000000, 0.0006615500000000 ] - [ -0.0000830800000000, -0.0000232400000000, -0.0002451000000000 ] - [ -0.0001032100000000, -0.0001055600000000, -0.0000336500000000 ] - [ 0.0001845700000000, -0.0001521400000000, 0.0001426600000000 ] - [ -0.0003469200000000, 0.0000526900000000, 0.0002199600000000 ] - [ 0.0000742000000000, -0.0001005400000000, -0.0000288800000000 ] - [ 0.0000191600000000, -0.0000968800000000, -0.0002237400000000 ] - [ 0.0001577600000000, -0.0003611600000000, 0.0006311600000000 ] - [ -0.0002687200000000, -0.0006510400000000, -0.0004044300000000 ] - [ -0.0003921600000000, -0.0000216700000000, -0.0000618200000000 ] - [ 0.0003877700000000, 0.0000482700000000, -0.0000579000000000 ] - [ 0.0003537700000000, 0.0008675700000000, -0.0005329400000000 ] - [ 0.0000274300000000, 0.0001105500000000, 0.0003597400000000 ] - [ 0.0000070400000000, 0.0003233800000000, -0.0000081000000000 ] - [ 0.0002817400000000, 0.0000711200000000, 0.0000580600000000 ] - [ 0.0004782000000000, -0.0004468300000000, 0.0003701400000000 ] - [ -0.0000864000000000, 0.0004398200000000, 0.0000398400000000 ] - [ 0.0001329200000000, 0.0001051200000000, -0.0000583600000000 ] - [ 0.0001421000000000, -0.0003898200000000, -0.0007550200000000 ] - [ 0.0003229500000000, 0.0007081600000000, 0.0009270900000000 ] - [ 0.0000273900000000, 0.0001649200000000, -0.0000712100000000 ] - [ -0.0006286800000000, 0.0001366300000000, -0.0002678900000000 ] - [ 0.0006221100000000, 0.0001366200000000, -0.0000338500000000 ] - [ -0.0000447100000000, -0.0004009900000000, -0.0002180700000000 ] - [ 0.0000385700000000, 0.0006084400000000, -0.0002692700000000 ] - [ -0.0001976000000000, -0.0000035000000000, -0.0003904700000000 ] - [ 0.0019446200000000, 0.0004068400000000, 0.0004226900000000 ] - [ 0.0014940700000000, 0.0025083500000000, 0.0011506000000000 ] - [ -0.0005284600000000, -0.0000359200000000, 0.0002764900000000 ] - [ -0.0015517400000000, 0.0000728000000000, 0.0001509600000000 ] - [ 0.0003943500000000, 0.0022142500000000, -0.0031485600000000 ] - [ 0.0007028400000000, -0.0010908200000000, 0.0022404600000000 ] - [ 0.0009434000000000, 0.0020059400000000, 0.0016488600000000 ] - [ -0.0016457400000000, -0.0011305200000000, -0.0015109300000000 ] - [ 0.0003013500000000, -0.0003095900000000, 0.0001685100000000 ] - [ 0.0001087100000000, -0.0000012000000000, 0.0000088100000000 ] - [ 0.0001098600000000, -0.0000632300000000, 0.0001503600000000 ] - [ -0.0000253500000000, -0.0005796500000000, -0.0009182200000000 ] - [ -0.0003188300000000, -0.0001491600000000, -0.0000573400000000 ] - [ 0.0003028100000000, -0.0004311500000000, 0.0003337800000000 ] - [ -0.0004082900000000, -0.0006148500000000, 0.0003961000000000 ] - [ 0.0003502100000000, -0.0001638600000000, -0.0000485100000000 ] - [ -0.0000292500000000, -0.0004662000000000, -0.0007798500000000 ] - [ -0.0001319700000000, -0.0001819200000000, 0.0000640300000000 ] - [ -0.0002201500000000, 0.0000675200000000, -0.0000780200000000 ] - [ -0.0002062300000000, -0.0003723600000000, 0.0002688400000000 ] - [ 0.0003525800000000, -0.0000368500000000, -0.0000417700000000 ] - [ 0.0003984800000000, -0.0007366000000000, -0.0004935100000000 ] - [ -0.0001044400000000, -0.0004448600000000, 0.0006514500000000 ] - [ 0.0001643500000000, -0.0003020000000000, -0.0002116800000000 ] - [ -0.0003292100000000, -0.0001505400000000, -0.0000623100000000 ] - [ 0.0001234800000000, -0.0002392000000000, 0.0000997600000000 ] - [ 0.0001279200000000, -0.0005422200000000, 0.0000358400000000 ] - [ 0.0003784000000000, -0.0001484300000000, -0.0000570400000000 ] - [ -0.0000006800000000, -0.0001908300000000, -0.0000875600000000 ] - [ 0.0000463500000000, -0.0005431300000000, 0.0006677100000000 ] - [ -0.0003431200000000, -0.0007755800000000, -0.0004948500000000 ] - [ -0.0004360600000000, -0.0001371200000000, -0.0001363400000000 ] - [ 0.0022888400000000, 0.0019094700000000, -0.0009336700000000 ] - [ 0.0049798000000000, -0.0030107800000000, -0.0008291200000000 ] - [ -0.0028655400000000, 0.0016510500000000, 0.0001835400000000 ] - [ 0.0016157300000000, 0.0025176500000000, -0.0001698200000000 ] - [ -0.0005677600000000, -0.0031083400000000, -0.0003490200000000 ] - [ -0.0000004100000000, -0.0026373100000000, -0.0003454900000000 ] - [ 0.0001288800000000, -0.0013876200000000, -0.0000014200000000 ] - [ 0.0002709900000000, -0.0007566900000000, -0.0000156600000000 ] - [ -0.0001168100000000, 0.0010001300000000, 0.0000055400000000 ] - [ -0.0013350800000000, 0.0010660300000000, -0.0001746900000000 ] - [ 0.0028098400000000, 0.0011790000000000, -0.0007305100000000 ] - [ -0.0099793700000000, 0.0002075900000000, 0.0047366400000000 ] - [ -0.0004309400000000, -0.0020864600000000, -0.0002553900000000 ] - [ 0.0010861100000000, -0.0023185000000000, -0.0002232300000000 ] - [ -0.0007741900000000, -0.0010837300000000, 0.0000341700000000 ] - [ 0.0004527600000000, -0.0019238100000000, 0.0000882200000000 ] - [ 0.0093104700000000, 0.0113713400000000, -0.0144995300000000 ] - [ 0.0002948300000000, 0.0035768400000000, -0.0017183300000000 ] - [ 0.0017465500000000, 0.0011710000000000, 0.0021001000000000 ] - [ 0.0031616800000000, 0.0103024500000000, 0.0202197300000000 ] - [ -0.1346971500000000, -0.2815290100000000, -0.0099216400000000 ] - [ -0.0008457600000000, 0.0013511000000000, 0.0001387900000000 ] - [ 0.0013089700000000, -0.0026827200000000, 0.0023731000000000 ] - [ 0.0008487000000000, 0.0009411700000000, 0.0011021300000000 ] - [ 0.0034060200000000, 0.0004696600000000, -0.0014722900000000 ] - [ -0.0058272100000000, 0.0038506400000000, -0.0031976000000000 ] - [ 0.0028688100000000, 0.0002995400000000, -0.0014296200000000 ] - [ 0.0011520500000000, -0.0000175300000000, -0.0002207700000000 ] - [ -0.0016396000000000, 0.0006585100000000, -0.0006897800000000 ] - [ -0.0020322900000000, -0.0008273700000000, 0.0005828100000000 ] - [ 0.0015648300000000, -0.0013265700000000, 0.0002614900000000 ] - [ -0.0023541600000000, 0.0007332300000000, -0.0008524900000000 ] - [ -0.0006470700000000, 0.0008817700000000, 0.0008235500000000 ] - [ -0.0007810500000000, -0.0015133900000000, 0.0002055800000000 ] - [ 0.0005773700000000, 0.0001788900000000, -0.0001655900000000 ] - [ 0.0002901600000000, -0.0012072600000000, 0.0010540000000000 ] - [ 0.0008202800000000, -0.0009155500000000, -0.0004657300000000 ] - [ -0.0016056300000000, -0.0005296600000000, 0.0003252100000000 ] - [ 0.0003350300000000, -0.0001635000000000, -0.0001220300000000 ] - [ 0.0001300600000000, -0.0005615800000000, -0.0000153900000000 ] - [ 0.0000989100000000, 0.0006823500000000, -0.0001137300000000 ] - [ -0.0004650500000000, 0.0013486000000000, -0.0001322600000000 ] - [ 0.0008244000000000, 0.0010371500000000, 0.0002188400000000 ] - [ -0.0001400400000000, 0.0007702100000000, -0.0001621300000000 ] - [ -0.0003064600000000, 0.0009333900000000, 0.0010358000000000 ] - [ -0.0002154500000000, 0.0008574400000000, -0.0000185900000000 ] - [ 0.0005240300000000, 0.0006949600000000, -0.0001364300000000 ] - [ -0.0000036500000000, 0.0009409500000000, 0.0009766900000000 ] - [ 0.0000352300000000, 0.0008682500000000, -0.0002347600000000 ] - [ -0.0007310100000000, 0.0008304100000000, 0.0002077000000000 ] - [ 0.0003555700000000, 0.0008486400000000, -0.0001041000000000 ] - [ -0.0001975200000000, 0.0006158300000000, -0.0000604900000000 ] - [ -0.0000370200000000, 0.0005557500000000, 0.0002778100000000 ] - [ 0.0002565600000000, 0.0013818100000000, -0.0000824700000000 ] - [ 0.0006421000000000, 0.0002890400000000, 0.0001715800000000 ] - [ -0.0004973600000000, 0.0008203000000000, -0.0005207900000000 ] - [ 0.0001022100000000, 0.0007866700000000, 0.0007468400000000 ] - [ -0.0002438300000000, 0.0006530300000000, -0.0003906400000000 ] - [ -0.0000136500000000, 0.0005746700000000, -0.0002914100000000 ] - [ 0.0002599200000000, 0.0008570200000000, 0.0008200100000000 ] - [ 0.0006298400000000, 0.0009112200000000, -0.0004868400000000 ] - [ -0.0006553500000000, 0.0000785200000000, 0.0001741900000000 ] - [ -0.0001826700000000, 0.0010703100000000, -0.0001134000000000 ] - [ 0.0001445800000000, 0.0004820000000000, 0.0002707400000000 ] - [ -0.0004106700000000, -0.0006207000000000, 0.0002668400000000 ] - [ -0.0001755500000000, -0.0007627200000000, -0.0000569500000000 ] - [ 0.0004588400000000, 0.0000259300000000, 0.0001141000000000 ] - [ -0.0008782500000000, -0.0012587600000000, -0.0005225400000000 ] - [ -0.0003092500000000, -0.0013091000000000, 0.0007582300000000 ] - [ -0.0003571100000000, 0.0001043800000000, -0.0003039800000000 ] - [ 0.0000797400000000, -0.0011147500000000, -0.0004836800000000 ] - [ 0.0000744500000000, 0.0002675500000000, 0.0009584900000000 ] - [ -0.0005046400000000, -0.0001780500000000, -0.0002251700000000 ] - [ -0.0005186300000000, -0.0004723200000000, 0.0001884300000000 ] - [ -0.0008089000000000, -0.0016323800000000, -0.0000913600000000 ] - [ -0.0006992700000000, -0.0001888700000000, 0.0002083900000000 ] - [ 0.0010639200000000, -0.0002182700000000, -0.0000390500000000 ] - [ 0.0001336400000000, -0.0012084300000000, 0.0000114000000000 ] - [ -0.0007359000000000, -0.0010290900000000, -0.0000714700000000 ] - [ 0.0014511400000000, 0.0003959500000000, 0.0000792100000000 ] - [ 0.0002934800000000, 0.0008843100000000, 0.0008166300000000 ] - [ -0.0004057200000000, -0.0024657500000000, -0.0002701700000000 ] - [ -0.0005161900000000, 0.0013016700000000, -0.0012960300000000 ] - [ 0.0004426500000000, -0.0043461700000000, 0.0014358300000000 ] - [ -0.0041284800000000, -0.0007619600000000, 0.0016829800000000 ] - [ 0.0011505000000000, 0.0011687400000000, 0.0001951700000000 ] - [ -0.0045142900000000, 0.0052040900000000, -0.0010088200000000 ] - [ -0.0032441200000000, 0.0013048300000000, -0.0030713600000000 ] - [ -0.0000342200000000, 0.0003820700000000, 0.0000404600000000 ] - [ -0.0003008700000000, 0.0002998100000000, -0.0000981800000000 ] - [ 0.0008491800000000, 0.0006084300000000, 0.0002113800000000 ] - [ -0.0004653300000000, 0.0004194400000000, -0.0003262800000000 ] - [ -0.0003527900000000, 0.0006560500000000, 0.0009993900000000 ] - [ -0.0005608000000000, 0.0002634600000000, -0.0002009900000000 ] - [ 0.0004647300000000, 0.0005321100000000, -0.0001385100000000 ] - [ 0.0004883100000000, 0.0002689800000000, 0.0009768700000000 ] - [ 0.0005606600000000, 0.0002742600000000, -0.0003373400000000 ] - [ -0.0009648300000000, 0.0007664300000000, 0.0002010900000000 ] - [ 0.0004256700000000, 0.0005972000000000, -0.0000937100000000 ] - [ 0.0001417100000000, 0.0003900400000000, 0.0000423400000000 ] - [ -0.0004607600000000, 0.0006086900000000, 0.0003475900000000 ] - [ 0.0000574700000000, 0.0013962700000000, -0.0000769400000000 ] - [ 0.0008808100000000, 0.0002423600000000, 0.0001846400000000 ] - [ -0.0011919100000000, 0.0012336200000000, -0.0005687100000000 ] - [ -0.0009589300000000, 0.0007858700000000, 0.0010658900000000 ] - [ -0.0002435500000000, 0.0007406400000000, -0.0003587800000000 ] - [ 0.0006781100000000, 0.0007590300000000, -0.0005396800000000 ] - [ 0.0002787900000000, 0.0011161000000000, 0.0007798200000000 ] - [ 0.0010088000000000, 0.0011783100000000, -0.0006535900000000 ] - [ -0.0008938700000000, 0.0004885700000000, 0.0001701800000000 ] - [ -0.0001592000000000, 0.0018362000000000, -0.0000230400000000 ] - [ 0.0003441200000000, 0.0007322300000000, 0.0003739100000000 ]- atom: 125 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031426000000000, -0.0074516400000000, -0.0010751300000000 ] - [ -0.0003174100000000, 0.0004445300000000, -0.0003211700000000 ] - [ -0.0000107200000000, 0.0013496400000000, -0.0004760200000000 ] - [ 0.0001220600000000, 0.0003130100000000, -0.0005727800000000 ] - [ -0.0000519400000000, -0.0027252000000000, -0.0004834500000000 ] - [ 0.0004357500000000, 0.0025931800000000, -0.0007725700000000 ] - [ -0.0000525500000000, 0.0012464400000000, -0.0004395600000000 ] - [ 0.0001631400000000, 0.0027746100000000, 0.0003004100000000 ] - [ 0.0006489500000000, -0.0004843500000000, -0.0008493000000000 ] - [ -0.1010940500000000, -0.1352909200000000, 0.1025989600000000 ] - [ -0.0004494800000000, 0.0011298900000000, 0.0011927800000000 ] - [ -0.0333061600000000, -0.1059294900000000, -0.1060623600000000 ] - [ 0.0012275000000000, 0.0000272800000000, 0.0001837900000000 ] - [ 0.0003881300000000, 0.0002129800000000, 0.0001523900000000 ] - [ -0.0014415200000000, -0.0039412500000000, 0.0012089600000000 ] - [ -0.0009575900000000, 0.0017537100000000, -0.0013556900000000 ] - [ 0.0002163300000000, 0.0001980700000000, -0.0001691000000000 ] - [ -0.0000979300000000, -0.0001152100000000, -0.0007856800000000 ] - [ -0.0000053000000000, 0.0005290200000000, -0.0003073400000000 ] - [ -0.0012820000000000, 0.0002165900000000, -0.0019905400000000 ] - [ 0.0008003600000000, -0.0001736100000000, -0.0004310600000000 ] - [ -0.0001367300000000, 0.0001624300000000, 0.0000979900000000 ] - [ -0.0005166300000000, -0.0011120700000000, 0.0012382900000000 ] - [ -0.0001863400000000, 0.0006365700000000, -0.0009663300000000 ] - [ 0.0002415000000000, -0.0001828600000000, -0.0000180600000000 ] - [ 0.0001055400000000, -0.0005937100000000, -0.0000150400000000 ] - [ -0.0006320900000000, 0.0007051800000000, 0.0004684000000000 ] - [ -0.0008212100000000, -0.0000857300000000, 0.0001180500000000 ] - [ 0.0000233000000000, -0.0004099700000000, 0.0000290500000000 ] - [ 0.0000835700000000, -0.0001639100000000, 0.0004318200000000 ] - [ -0.0003221700000000, -0.0008767900000000, -0.0005374900000000 ] - [ -0.0005075300000000, -0.0001058500000000, -0.0001600500000000 ] - [ 0.0004588100000000, 0.0001386500000000, -0.0001615000000000 ] - [ 0.0003417400000000, 0.0007805100000000, -0.0004982900000000 ] - [ -0.0000957400000000, 0.0006075300000000, 0.0007091500000000 ] - [ 0.0000003000000000, 0.0002005500000000, -0.0000831800000000 ] - [ -0.0002863800000000, 0.0001760000000000, -0.0000535400000000 ] - [ -0.0000490500000000, 0.0004935600000000, -0.0000151500000000 ] - [ -0.0001144100000000, 0.0002568900000000, 0.0000923300000000 ] - [ 0.0003091200000000, 0.0001666400000000, -0.0000584000000000 ] - [ -0.0000630000000000, 0.0002954000000000, -0.0000703300000000 ] - [ 0.0001268200000000, 0.0004718600000000, 0.0006836900000000 ] - [ -0.0004193700000000, 0.0008120700000000, -0.0005204000000000 ] - [ -0.0003531200000000, 0.0000618500000000, -0.0000535300000000 ] - [ 0.0002063300000000, 0.0003982300000000, 0.0002804500000000 ] - [ 0.0002237100000000, 0.0000181600000000, -0.0000180400000000 ] - [ 0.0001535600000000, 0.0002068900000000, 0.0000336500000000 ] - [ 0.0000384700000000, 0.0005163600000000, -0.0009018300000000 ] - [ -0.0003724600000000, 0.0001841100000000, -0.0000566200000000 ] - [ 0.0004162500000000, 0.0006322000000000, 0.0004005600000000 ] - [ -0.0002554000000000, 0.0004296600000000, 0.0003241300000000 ] - [ 0.0004007100000000, 0.0001791000000000, -0.0000612700000000 ] - [ 0.0000249800000000, 0.0005892200000000, -0.0009229000000000 ] - [ -0.0001821500000000, 0.0001304700000000, 0.0000635400000000 ] - [ -0.0001102500000000, 0.0000066500000000, 0.0000119600000000 ] - [ -0.0002778300000000, 0.0003080800000000, 0.0001902800000000 ] - [ 0.0002825200000000, -0.0003340300000000, 0.0001858600000000 ] - [ 0.0000256900000000, -0.0002224600000000, 0.0001397000000000 ] - [ -0.0000023500000000, 0.0001182000000000, 0.0003332700000000 ] - [ -0.0000509900000000, -0.0008147800000000, -0.0011372400000000 ] - [ -0.0007546800000000, -0.0001496100000000, -0.0001476100000000 ] - [ 0.0001248400000000, -0.0000373400000000, 0.0001746800000000 ] - [ -0.0005144300000000, -0.0009191500000000, 0.0005033100000000 ] - [ 0.0003409100000000, -0.0001837600000000, -0.0000319500000000 ] - [ -0.0000969300000000, -0.0001053600000000, -0.0003945800000000 ] - [ -0.0003465600000000, -0.0004741800000000, -0.0002292600000000 ] - [ -0.0004042700000000, 0.0004768200000000, -0.0003194500000000 ] - [ -0.0000433900000000, -0.0004229700000000, 0.0003946000000000 ] - [ 0.0000494500000000, 0.0001522800000000, 0.0001633900000000 ] - [ 0.0004220200000000, -0.0002422300000000, -0.0001736600000000 ] - [ -0.0000144200000000, -0.0008359300000000, 0.0009630300000000 ] - [ 0.0001521400000000, 0.0004955900000000, -0.0007560000000000 ] - [ -0.0024048100000000, -0.0003206400000000, -0.0005108100000000 ] - [ -0.0008976700000000, -0.0020016800000000, -0.0005964300000000 ] - [ -0.0000747700000000, 0.0005164500000000, 0.0002672900000000 ] - [ 0.0020158000000000, 0.0000058100000000, -0.0002408400000000 ] - [ -0.0003464100000000, -0.0017008800000000, 0.0019791200000000 ] - [ -0.0007202600000000, 0.0008536800000000, -0.0015227600000000 ] - [ -0.0013146700000000, -0.0026247700000000, -0.0020320800000000 ] - [ 0.0009739000000000, 0.0014125000000000, 0.0016127000000000 ] - [ 0.0003679800000000, 0.0000202900000000, -0.0000378400000000 ] - [ 0.0002693900000000, 0.0006402600000000, -0.0003980700000000 ] - [ -0.0000836600000000, 0.0002910700000000, 0.0005412500000000 ] - [ -0.0000185600000000, 0.0000815900000000, -0.0002339500000000 ] - [ -0.0001579800000000, 0.0000682700000000, -0.0000328700000000 ] - [ 0.0002991500000000, -0.0000545000000000, 0.0002113300000000 ] - [ -0.0001942700000000, 0.0001278900000000, 0.0001493900000000 ] - [ 0.0001275400000000, 0.0000831400000000, -0.0000419300000000 ] - [ 0.0000729500000000, -0.0000313100000000, -0.0003718100000000 ] - [ 0.0001056600000000, 0.0004081900000000, 0.0006264100000000 ] - [ -0.0001585500000000, 0.0005716000000000, -0.0003116800000000 ] - [ -0.0004622300000000, 0.0000827200000000, -0.0001378000000000 ] - [ 0.0003173800000000, 0.0003229000000000, 0.0001702200000000 ] - [ -0.0000181800000000, 0.0000914800000000, 0.0001002800000000 ] - [ 0.0001289100000000, 0.0002129900000000, 0.0000441200000000 ] - [ -0.0002058200000000, 0.0007917500000000, -0.0009350300000000 ] - [ -0.0001477000000000, 0.0002284500000000, -0.0000280200000000 ] - [ 0.0004769900000000, 0.0007185900000000, 0.0004432400000000 ] - [ -0.0007252200000000, 0.0010181600000000, 0.0005066000000000 ] - [ 0.0001000900000000, 0.0002264600000000, -0.0000335400000000 ] - [ 0.0000446700000000, 0.0006822200000000, -0.0010577000000000 ] - [ -0.0000708100000000, 0.0003100000000000, 0.0000281800000000 ] - [ -0.0000364600000000, 0.0001300500000000, 0.0001015400000000 ] - [ -0.0002344700000000, 0.0004222200000000, 0.0002637600000000 ] - [ -0.0031774500000000, -0.0027963400000000, 0.0007276100000000 ] - [ -0.0041173300000000, 0.0017139000000000, 0.0005852600000000 ] - [ 0.0020196900000000, -0.0003373100000000, -0.0004490700000000 ] - [ -0.0007739300000000, -0.0012208300000000, -0.0000958200000000 ] - [ -0.0002710800000000, 0.0017985100000000, 0.0000815400000000 ] - [ 0.0008347600000000, 0.0013317600000000, 0.0000781000000000 ] - [ -0.0009633400000000, 0.0026632200000000, -0.0002631000000000 ] - [ 0.0005676100000000, 0.0020352500000000, -0.0002491700000000 ] - [ -0.0007202500000000, -0.0022745700000000, -0.0002692800000000 ] - [ 0.0021566200000000, -0.0023472000000000, -0.0000935300000000 ] - [ -0.0036226300000000, 0.0001252800000000, 0.0004578200000000 ] - [ 0.0106467700000000, 0.0010562800000000, -0.0049240200000000 ] - [ -0.0004084000000000, 0.0007858300000000, -0.0000113700000000 ] - [ -0.0002402400000000, 0.0010165100000000, -0.0000435700000000 ] - [ -0.0000681100000000, 0.0023574700000000, -0.0002979400000000 ] - [ 0.0003869200000000, 0.0031900300000000, -0.0003520000000000 ] - [ -0.0095201700000000, -0.0114046300000000, 0.0147884300000000 ] - [ -0.0005077800000000, -0.0042017500000000, 0.0015248500000000 ] - [ -0.0001310300000000, -0.0006356800000000, -0.0016875400000000 ] - [ -0.0042025600000000, -0.0106086800000000, -0.0209900800000000 ] - [ 0.1404486700000000, 0.2821263000000000, 0.0110031600000000 ] - [ 0.0001083300000000, -0.0014231700000000, -0.0006431200000000 ] - [ -0.0005651500000000, 0.0025754700000000, -0.0028520500000000 ] - [ -0.0002387200000000, -0.0011176500000000, 0.0007133600000000 ] - [ -0.0022519700000000, -0.0009277200000000, 0.0006419200000000 ] - [ 0.0042549100000000, -0.0033909400000000, 0.0036514200000000 ] - [ -0.0026071600000000, -0.0009590000000000, 0.0012255300000000 ] - [ -0.0009275200000000, -0.0000613700000000, 0.0005137100000000 ] - [ 0.0014214400000000, -0.0005826500000000, 0.0009963900000000 ] - [ 0.0017997100000000, 0.0014952100000000, -0.0007636400000000 ] - [ 0.0000492600000000, 0.0007831000000000, 0.0001172800000000 ] - [ 0.0012191700000000, -0.0002669100000000, 0.0000343000000000 ] - [ 0.0000412000000000, -0.0006952800000000, 0.0009899000000000 ] - [ 0.0000479300000000, 0.0015879600000000, -0.0007166800000000 ] - [ 0.0001550400000000, -0.0000973400000000, -0.0003415100000000 ] - [ 0.0003068900000000, 0.0013817000000000, 0.0007638100000000 ] - [ 0.0003099500000000, 0.0013683900000000, -0.0003517500000000 ] - [ -0.0000052400000000, -0.0000022800000000, 0.0000535900000000 ] - [ -0.0001063900000000, 0.0008232500000000, -0.0000584700000000 ] - [ 0.0000854100000000, 0.0006337800000000, 0.0003104000000000 ] - [ -0.0003119100000000, -0.0007537400000000, 0.0004077800000000 ] - [ 0.0002361200000000, -0.0019964300000000, -0.0000489200000000 ] - [ 0.0007845700000000, -0.0004997100000000, 0.0001599600000000 ] - [ -0.0009822300000000, -0.0012241300000000, -0.0006523700000000 ] - [ -0.0002965600000000, -0.0011083000000000, 0.0007795500000000 ] - [ -0.0005123600000000, -0.0009322800000000, -0.0004869500000000 ] - [ 0.0002075300000000, -0.0007715200000000, -0.0003714000000000 ] - [ 0.0006026200000000, -0.0011191300000000, 0.0008372700000000 ] - [ 0.0010872400000000, -0.0013239800000000, -0.0005812200000000 ] - [ -0.0008764000000000, -0.0002954100000000, 0.0001706400000000 ] - [ -0.0001284700000000, -0.0015052400000000, -0.0000764800000000 ] - [ 0.0004097300000000, -0.0006889600000000, 0.0003557300000000 ] - [ -0.0001764100000000, -0.0004736800000000, 0.0000199300000000 ] - [ -0.0004781700000000, -0.0007076700000000, -0.0000972900000000 ] - [ 0.0009659000000000, -0.0008157700000000, 0.0002067600000000 ] - [ -0.0006278700000000, -0.0003526900000000, -0.0002965400000000 ] - [ -0.0007025300000000, -0.0005980600000000, 0.0010665000000000 ] - [ -0.0004854800000000, -0.0005657400000000, -0.0001181300000000 ] - [ 0.0007422900000000, -0.0004894800000000, -0.0002168200000000 ] - [ 0.0003428300000000, -0.0006683200000000, 0.0009934100000000 ] - [ 0.0004980900000000, -0.0004427500000000, -0.0003311900000000 ] - [ -0.0009522300000000, -0.0006069700000000, 0.0002041800000000 ] - [ 0.0004061800000000, -0.0003991500000000, -0.0000676700000000 ] - [ 0.0000709700000000, -0.0004007800000000, 0.0000266500000000 ] - [ 0.0001959800000000, 0.0005397900000000, 0.0000309000000000 ] - [ -0.0000498800000000, 0.0000957100000000, -0.0001229500000000 ] - [ 0.0011482100000000, 0.0005022200000000, 0.0002643600000000 ] - [ -0.0002474900000000, 0.0007894500000000, -0.0002946500000000 ] - [ -0.0002936700000000, 0.0011164200000000, 0.0010550600000000 ] - [ -0.0003724600000000, -0.0001844600000000, -0.0002046200000000 ] - [ 0.0006509400000000, 0.0010235500000000, -0.0000251600000000 ] - [ 0.0005261500000000, -0.0004496300000000, 0.0008559600000000 ] - [ 0.0016227500000000, -0.0002863800000000, -0.0005908900000000 ] - [ -0.0010856800000000, 0.0009988100000000, 0.0001900000000000 ] - [ 0.0010277400000000, 0.0009535700000000, -0.0000885600000000 ] - [ 0.0009076500000000, 0.0001077100000000, 0.0000902600000000 ] - [ -0.0012700500000000, 0.0002956100000000, 0.0003351200000000 ] - [ -0.0003525000000000, 0.0018657900000000, -0.0001930900000000 ] - [ 0.0023338000000000, 0.0004879100000000, 0.0004488500000000 ] - [ -0.0025580900000000, 0.0000712000000000, -0.0008912300000000 ] - [ -0.0008929700000000, -0.0006926900000000, 0.0009959500000000 ] - [ -0.0003105300000000, 0.0025311500000000, -0.0002391900000000 ] - [ 0.0012377000000000, -0.0012080300000000, 0.0007731200000000 ] - [ 0.0001627500000000, 0.0044901800000000, 0.0003848600000000 ] - [ 0.0052043000000000, 0.0011836800000000, -0.0024838000000000 ] - [ -0.0027445200000000, -0.0016902100000000, 0.0001940200000000 ] - [ 0.0046422600000000, -0.0044357600000000, 0.0008090800000000 ] - [ 0.0034157600000000, -0.0012263200000000, 0.0033206800000000 ] - [ -0.0001803300000000, -0.0004565300000000, 0.0002564200000000 ] - [ 0.0000742900000000, -0.0009593200000000, -0.0000827300000000 ] - [ 0.0007603600000000, -0.0000737000000000, 0.0001676600000000 ] - [ -0.0006606000000000, -0.0008779200000000, -0.0004900100000000 ] - [ -0.0002501500000000, -0.0008337900000000, 0.0008163200000000 ] - [ -0.0001702800000000, -0.0003439200000000, -0.0003066800000000 ] - [ 0.0002667500000000, -0.0006093300000000, -0.0003687600000000 ] - [ 0.0001174600000000, -0.0004486800000000, 0.0008381200000000 ] - [ 0.0005652700000000, -0.0007321300000000, -0.0004781400000000 ] - [ -0.0006455000000000, -0.0002317900000000, 0.0001769900000000 ] - [ -0.0001969700000000, -0.0012556100000000, -0.0000869200000000 ] - [ 0.0000736200000000, -0.0004639700000000, 0.0002523300000000 ] - [ 0.0002418200000000, -0.0005265800000000, -0.0000478900000000 ] - [ -0.0002815000000000, -0.0007219500000000, -0.0001033800000000 ] - [ 0.0007288400000000, -0.0007695500000000, 0.0001941600000000 ] - [ 0.0000572900000000, -0.0007604300000000, -0.0002504800000000 ] - [ 0.0003480100000000, -0.0005979100000000, 0.0007513800000000 ] - [ -0.0004859300000000, -0.0006524800000000, -0.0001502800000000 ] - [ 0.0000541900000000, -0.0006711500000000, 0.0000293300000000 ] - [ 0.0003247600000000, -0.0009236300000000, 0.0010331400000000 ] - [ 0.0001210700000000, -0.0007068100000000, -0.0001655800000000 ] - [ -0.0007160700000000, -0.0010125500000000, 0.0002077400000000 ] - [ 0.0003818600000000, -0.0011565200000000, -0.0001570900000000 ] - [ -0.0001270400000000, -0.0006482800000000, -0.0000750800000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005400600000000, -0.0000624900000000, 0.0051326900000000 ] - [ 0.0000325200000000, -0.0000241500000000, -0.0004764100000000 ] - [ 0.0000008700000000, -0.0001499900000000, -0.0004523100000000 ] - [ 0.0000772600000000, -0.0000600000000000, -0.0004394400000000 ] - [ -0.0001326000000000, 0.0003274200000000, -0.0005885000000000 ] - [ -0.0000514600000000, -0.0002685100000000, -0.0001742000000000 ] - [ 0.0000066200000000, -0.0001613700000000, -0.0004606900000000 ] - [ -0.0001439900000000, -0.0003494200000000, -0.0007560700000000 ] - [ 0.0008548800000000, 0.0000627100000000, -0.0007693100000000 ] - [ -0.1241836100000000, -0.1306142500000000, 0.1839525200000000 ] - [ 0.0001207600000000, 0.0002302700000000, -0.0000474100000000 ] - [ 0.0351385000000000, 0.1256087500000000, 0.2366254500000000 ] - [ -0.0003725100000000, -0.0002202300000000, -0.0001373100000000 ] - [ 0.0002927400000000, -0.0002729200000000, 0.0002977500000000 ] - [ 0.0007866300000000, 0.0019528600000000, -0.0027949300000000 ] - [ -0.0000455600000000, 0.0013216900000000, -0.0001634900000000 ] - [ -0.0000174500000000, -0.0003010300000000, -0.0005949700000000 ] - [ -0.0003931300000000, -0.0016335000000000, -0.0007642400000000 ] - [ -0.0002444800000000, 0.0003544200000000, -0.0002436900000000 ] - [ -0.0004545900000000, -0.0001353500000000, -0.0011081700000000 ] - [ 0.0002961300000000, -0.0000321400000000, -0.0000932100000000 ] - [ 0.0002118700000000, -0.0003562300000000, -0.0002636900000000 ] - [ 0.0000820200000000, 0.0002058900000000, -0.0001116600000000 ] - [ -0.0000284700000000, 0.0001917700000000, -0.0004477900000000 ] - [ -0.0003914400000000, 0.0000683500000000, -0.0000770100000000 ] - [ 0.0002307200000000, 0.0002195500000000, 0.0002212300000000 ] - [ -0.0002545800000000, 0.0001676000000000, 0.0002183300000000 ] - [ 0.0003715200000000, 0.0000984900000000, -0.0001151900000000 ] - [ 0.0000856600000000, 0.0002210100000000, -0.0005043400000000 ] - [ -0.0000079900000000, -0.0001391400000000, 0.0003513800000000 ] - [ -0.0002293000000000, -0.0003393100000000, -0.0002259300000000 ] - [ -0.0003151300000000, 0.0001868700000000, 0.0000784800000000 ] - [ 0.0003220200000000, -0.0001727300000000, 0.0000887700000000 ] - [ 0.0001678300000000, 0.0002628400000000, -0.0001559100000000 ] - [ 0.0000098500000000, 0.0000569100000000, 0.0003252100000000 ] - [ -0.0000260900000000, -0.0003031500000000, -0.0006378600000000 ] - [ -0.0002336100000000, -0.0000646300000000, -0.0000405400000000 ] - [ 0.0003255000000000, -0.0003030900000000, 0.0002568400000000 ] - [ -0.0003255400000000, -0.0003023800000000, 0.0002950000000000 ] - [ 0.0002139500000000, -0.0000623800000000, -0.0000405600000000 ] - [ 0.0000521300000000, -0.0003159500000000, -0.0006701600000000 ] - [ -0.0000295800000000, 0.0000728200000000, 0.0003065700000000 ] - [ -0.0001642600000000, 0.0002482600000000, -0.0001353900000000 ] - [ -0.0003379800000000, -0.0001600500000000, 0.0000737300000000 ] - [ 0.0003497500000000, 0.0001129800000000, 0.0000410600000000 ] - [ 0.0001554900000000, -0.0003441300000000, -0.0001742000000000 ] - [ -0.0000007300000000, -0.0001475500000000, 0.0003780400000000 ] - [ -0.0000418200000000, 0.0002184700000000, -0.0006175800000000 ] - [ -0.0002205200000000, 0.0000221900000000, -0.0000431900000000 ] - [ 0.0002886400000000, 0.0001972100000000, 0.0002576800000000 ] - [ -0.0002975200000000, 0.0002176600000000, 0.0002615300000000 ] - [ 0.0002299900000000, 0.0000341300000000, -0.0000390800000000 ] - [ 0.0000222900000000, 0.0002082800000000, -0.0005338400000000 ] - [ 0.0000107100000000, -0.0001481200000000, 0.0003819400000000 ] - [ -0.0001978400000000, -0.0003593000000000, -0.0002190700000000 ] - [ -0.0003352500000000, 0.0001264900000000, 0.0000586200000000 ] - [ 0.0003348700000000, -0.0001388200000000, 0.0000691800000000 ] - [ 0.0001869500000000, 0.0003942000000000, -0.0002390400000000 ] - [ 0.0000117200000000, 0.0001227700000000, 0.0003585400000000 ] - [ -0.0000389300000000, -0.0001661500000000, -0.0005045100000000 ] - [ -0.0001664100000000, -0.0000209400000000, -0.0000229800000000 ] - [ 0.0003350700000000, -0.0002908600000000, 0.0002982100000000 ] - [ -0.0003060800000000, -0.0001578700000000, 0.0002469400000000 ] - [ 0.0001876300000000, -0.0000147900000000, -0.0000428300000000 ] - [ 0.0000334100000000, -0.0002843300000000, -0.0006290000000000 ] - [ 0.0000226100000000, 0.0002101900000000, 0.0004520800000000 ] - [ -0.0001599600000000, 0.0002924400000000, -0.0001628900000000 ] - [ -0.0003771700000000, -0.0001192200000000, 0.0000256400000000 ] - [ 0.0003094700000000, 0.0002206300000000, 0.0002153000000000 ] - [ 0.0001721700000000, -0.0003193400000000, -0.0001915900000000 ] - [ 0.0001209200000000, -0.0001487200000000, 0.0004675900000000 ] - [ -0.0000708600000000, 0.0002144100000000, -0.0005359000000000 ] - [ -0.0009272100000000, -0.0000834700000000, -0.0001516400000000 ] - [ 0.0002540600000000, 0.0008070800000000, 0.0008984000000000 ] - [ -0.0002882900000000, 0.0002197900000000, 0.0002305700000000 ] - [ 0.0001578000000000, 0.0001090000000000, -0.0000442800000000 ] - [ 0.0008332200000000, 0.0004380400000000, -0.0015978600000000 ] - [ 0.0000781900000000, -0.0001198500000000, 0.0007960300000000 ] - [ -0.0008846700000000, 0.0000335000000000, -0.0011100600000000 ] - [ -0.0002179800000000, -0.0000377100000000, 0.0012744600000000 ] - [ 0.0003314400000000, -0.0001635100000000, 0.0000770900000000 ] - [ 0.0001819500000000, 0.0002832600000000, -0.0001709600000000 ] - [ 0.0000354000000000, 0.0000829700000000, 0.0003115800000000 ] - [ -0.0000208900000000, -0.0002875900000000, -0.0006153400000000 ] - [ -0.0002485500000000, -0.0000531400000000, -0.0000463800000000 ] - [ 0.0002979100000000, -0.0002595900000000, 0.0002784300000000 ] - [ -0.0003116800000000, -0.0002860100000000, 0.0002862500000000 ] - [ 0.0002618800000000, -0.0000571700000000, -0.0000473200000000 ] - [ 0.0000167800000000, -0.0002735900000000, -0.0006029700000000 ] - [ -0.0000276900000000, 0.0000774400000000, 0.0003113200000000 ] - [ -0.0001968000000000, 0.0002844600000000, -0.0001793900000000 ] - [ -0.0003156400000000, -0.0001780200000000, 0.0000944400000000 ] - [ 0.0003369000000000, 0.0001221600000000, 0.0000514300000000 ] - [ 0.0002177600000000, -0.0003827800000000, -0.0002654700000000 ] - [ -0.0000036500000000, -0.0001584500000000, 0.0003874400000000 ] - [ 0.0000180900000000, 0.0001483400000000, -0.0005012600000000 ] - [ -0.0002515600000000, 0.0000174600000000, -0.0000483900000000 ] - [ 0.0002762900000000, 0.0001792400000000, 0.0002487300000000 ] - [ -0.0002660900000000, 0.0001465300000000, 0.0002688300000000 ] - [ 0.0002454100000000, 0.0000108700000000, -0.0000486400000000 ] - [ 0.0000185200000000, 0.0001916400000000, -0.0005105100000000 ] - [ -0.0000172900000000, -0.0001771000000000, 0.0003550000000000 ] - [ -0.0002098800000000, -0.0003778500000000, -0.0002331100000000 ] - [ -0.0003521200000000, 0.0001089900000000, 0.0000354400000000 ] - [ 0.0005495900000000, -0.0006584200000000, 0.0082875500000000 ] - [ 0.0026101400000000, -0.0022268300000000, 0.0012736800000000 ] - [ -0.0013238000000000, 0.0016820000000000, 0.0003871600000000 ] - [ 0.0005225500000000, 0.0011658900000000, -0.0000572200000000 ] - [ -0.0004196100000000, -0.0009636000000000, -0.0001608100000000 ] - [ 0.0003364600000000, -0.0008353500000000, -0.0001487100000000 ] - [ -0.0003558400000000, 0.0004229900000000, -0.0001091600000000 ] - [ 0.0004333900000000, 0.0004886400000000, -0.0001190700000000 ] - [ -0.0004072100000000, -0.0004979300000000, -0.0002254700000000 ] - [ 0.0001594700000000, -0.0003040000000000, -0.0002442700000000 ] - [ 0.0004610600000000, 0.0005590300000000, -0.0005209800000000 ] - [ -0.0112414000000000, -0.0040053300000000, -0.0144445400000000 ] - [ -0.0004162900000000, -0.0008143300000000, -0.0001453900000000 ] - [ 0.0005114400000000, -0.0008809500000000, -0.0001504200000000 ] - [ -0.0004666200000000, 0.0004340100000000, -0.0001040300000000 ] - [ 0.0004008000000000, 0.0002997600000000, -0.0000996600000000 ] - [ -0.0078176300000000, -0.0159067600000000, 0.0176659600000000 ] - [ 0.0011488600000000, 0.0012993300000000, 0.0020614200000000 ] - [ 0.0006703600000000, 0.0002185700000000, 0.0008950400000000 ] - [ 0.0088153700000000, 0.0258634100000000, 0.0286734800000000 ] - [ 0.0916998100000000, -0.0006647800000000, -0.4771516900000000 ] - [ -0.0004655500000000, -0.0000677900000000, -0.0000857200000000 ] - [ 0.0046310500000000, 0.0030720000000000, 0.0101362500000000 ] - [ 0.0004113100000000, -0.0000157200000000, 0.0009598200000000 ] - [ 0.0017998700000000, 0.0000633900000000, -0.0009961600000000 ] - [ 0.0008825800000000, -0.0023634700000000, 0.0007372600000000 ] - [ -0.0021011300000000, -0.0025964800000000, 0.0016712300000000 ] - [ 0.0002991300000000, -0.0002200800000000, 0.0005901000000000 ] - [ -0.0002712100000000, 0.0000136800000000, 0.0007031100000000 ] - [ -0.0011783200000000, 0.0006600400000000, -0.0001514200000000 ] - [ 0.0010773500000000, 0.0000439600000000, 0.0001412200000000 ] - [ -0.0012243400000000, 0.0004183400000000, -0.0006525400000000 ] - [ -0.0003292800000000, 0.0001760000000000, 0.0008697900000000 ] - [ -0.0000649400000000, -0.0002116600000000, 0.0000319600000000 ] - [ 0.0003550400000000, 0.0000806300000000, -0.0002725800000000 ] - [ 0.0008497500000000, -0.0000591100000000, 0.0006980800000000 ] - [ 0.0004782000000000, 0.0002122000000000, -0.0003730000000000 ] - [ -0.0008913500000000, -0.0003461800000000, 0.0002217700000000 ] - [ 0.0000916600000000, 0.0003463900000000, -0.0000733900000000 ] - [ 0.0002108300000000, 0.0000321500000000, 0.0002246300000000 ] - [ -0.0000703200000000, 0.0000534600000000, 0.0001135300000000 ] - [ -0.0001366200000000, -0.0000981500000000, -0.0001029200000000 ] - [ 0.0008061500000000, 0.0003444300000000, 0.0001771700000000 ] - [ -0.0004906900000000, -0.0001046400000000, -0.0003693500000000 ] - [ -0.0002976500000000, 0.0000416100000000, 0.0009245800000000 ] - [ -0.0003213400000000, 0.0000401400000000, -0.0002335000000000 ] - [ 0.0003842800000000, 0.0000460600000000, -0.0002425500000000 ] - [ 0.0002921300000000, 0.0001065800000000, 0.0009591400000000 ] - [ 0.0005130900000000, -0.0001239700000000, -0.0003566600000000 ] - [ -0.0007807000000000, 0.0003221400000000, 0.0001849300000000 ] - [ 0.0001390200000000, -0.0001973300000000, -0.0000927400000000 ] - [ 0.0000707900000000, 0.0000401500000000, 0.0001166400000000 ] - [ -0.0000863000000000, 0.0000737200000000, 0.0001493500000000 ] - [ -0.0000716700000000, 0.0004310100000000, -0.0000913700000000 ] - [ 0.0007834400000000, -0.0002019200000000, 0.0001831600000000 ] - [ -0.0005507400000000, 0.0002681700000000, -0.0003870500000000 ] - [ -0.0002830000000000, -0.0000641300000000, 0.0009724400000000 ] - [ -0.0003527700000000, 0.0001069500000000, -0.0002677000000000 ] - [ 0.0003074200000000, 0.0001143600000000, -0.0002402700000000 ] - [ 0.0002922100000000, 0.0001753700000000, 0.0008967300000000 ] - [ 0.0005684200000000, 0.0003102200000000, -0.0004155600000000 ] - [ -0.0008061600000000, -0.0002351300000000, 0.0001779900000000 ] - [ 0.0000761300000000, 0.0004156300000000, -0.0000951600000000 ] - [ 0.0001105500000000, 0.0000905400000000, 0.0001623600000000 ] - [ -0.0001211800000000, -0.0001528700000000, 0.0001585000000000 ] - [ -0.0001112900000000, -0.0004512600000000, -0.0001012900000000 ] - [ 0.0007511600000000, 0.0002595200000000, 0.0001689400000000 ] - [ -0.0005657400000000, -0.0004045600000000, -0.0004176300000000 ] - [ -0.0002661600000000, -0.0002378000000000, 0.0009046000000000 ] - [ -0.0003548700000000, -0.0000339200000000, -0.0002665600000000 ] - [ 0.0004026600000000, -0.0001884100000000, -0.0003059500000000 ] - [ 0.0002660900000000, -0.0000177900000000, 0.0009242000000000 ] - [ 0.0002585600000000, -0.0001978900000000, -0.0003321400000000 ] - [ -0.0007231200000000, 0.0001833800000000, 0.0001847900000000 ] - [ -0.0000648800000000, -0.0005216800000000, -0.0000265900000000 ] - [ -0.0000004600000000, -0.0000778000000000, 0.0000571100000000 ] - [ -0.0000090100000000, -0.0000035800000000, 0.0001704500000000 ] - [ -0.0001155500000000, 0.0001457000000000, -0.0000786100000000 ] - [ 0.0012229800000000, -0.0003680100000000, 0.0003008000000000 ] - [ -0.0000435100000000, 0.0004081600000000, -0.0000521400000000 ] - [ -0.0002241400000000, 0.0001726400000000, 0.0008694300000000 ] - [ 0.0000838600000000, -0.0002009900000000, -0.0006023300000000 ] - [ 0.0002908600000000, 0.0001166500000000, -0.0004760400000000 ] - [ 0.0002438300000000, -0.0004433500000000, 0.0019478700000000 ] - [ -0.0015751600000000, 0.0022316300000000, -0.0005752500000000 ] - [ -0.0004687400000000, -0.0002288500000000, -0.0000795600000000 ] - [ -0.0012566200000000, 0.0017128700000000, -0.0006707900000000 ] - [ 0.0016624800000000, -0.0051802100000000, 0.0001441300000000 ] - [ -0.0001109900000000, 0.0000108300000000, 0.0001337700000000 ] - [ -0.0001536200000000, -0.0002477900000000, -0.0000840400000000 ] - [ 0.0008084300000000, 0.0003045600000000, 0.0001872500000000 ] - [ -0.0005670100000000, -0.0001537700000000, -0.0004003700000000 ] - [ -0.0003097200000000, 0.0000045300000000, 0.0009188700000000 ] - [ -0.0004111500000000, 0.0000192000000000, -0.0002527600000000 ] - [ 0.0003734600000000, 0.0000301900000000, -0.0002390300000000 ] - [ 0.0003427000000000, -0.0000369400000000, 0.0009241100000000 ] - [ 0.0005660700000000, -0.0001729500000000, -0.0003968900000000 ] - [ -0.0008295000000000, 0.0003347100000000, 0.0001872400000000 ] - [ 0.0001513800000000, -0.0002159800000000, -0.0000904800000000 ] - [ 0.0001135500000000, 0.0000145700000000, 0.0001359700000000 ] - [ -0.0001591400000000, 0.0001293300000000, 0.0001904400000000 ] - [ -0.0000884800000000, 0.0004785300000000, -0.0000845200000000 ] - [ 0.0008128800000000, -0.0002042500000000, 0.0001846100000000 ] - [ -0.0006371700000000, 0.0003694700000000, -0.0004513900000000 ] - [ -0.0004109000000000, 0.0002480400000000, 0.0009724000000000 ] - [ -0.0003447900000000, 0.0001314200000000, -0.0002681600000000 ] - [ 0.0003726500000000, 0.0001147200000000, -0.0002434800000000 ] - [ 0.0003010100000000, 0.0002153600000000, 0.0008903700000000 ] - [ 0.0006252000000000, 0.0003632800000000, -0.0004435100000000 ] - [ -0.0007991100000000, -0.0001673000000000, 0.0001870500000000 ] - [ 0.0000703800000000, 0.0005622800000000, -0.0000809400000000 ] - [ 0.0001377600000000, 0.0001264800000000, 0.0001889900000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004403900000000, 0.0000451800000000, -0.0060749500000000 ] - [ -0.0000340900000000, 0.0000254900000000, -0.0004366100000000 ] - [ -0.0000001000000000, 0.0001469400000000, -0.0004606900000000 ] - [ -0.0000812000000000, 0.0000560900000000, -0.0004734500000000 ] - [ 0.0001364600000000, -0.0003196400000000, -0.0003223900000000 ] - [ 0.0000516200000000, 0.0002555600000000, -0.0007335400000000 ] - [ -0.0000077300000000, 0.0001590300000000, -0.0004521300000000 ] - [ 0.0001490000000000, 0.0003525800000000, -0.0001494200000000 ] - [ -0.0001901100000000, -0.0003653600000000, 0.0009083400000000 ] - [ 0.1174356300000000, 0.1232308100000000, -0.1794428600000000 ] - [ -0.0000885100000000, -0.0000093400000000, 0.0007320300000000 ] - [ -0.0378598100000000, -0.1380589900000000, -0.2530687400000000 ] - [ -0.0000938700000000, 0.0001366800000000, 0.0000494600000000 ] - [ 0.0003112800000000, -0.0002122300000000, 0.0002476600000000 ] - [ -0.0013789100000000, -0.0023950500000000, 0.0033171400000000 ] - [ 0.0005537700000000, -0.0013824300000000, 0.0000608200000000 ] - [ 0.0000630100000000, -0.0001965200000000, -0.0005572200000000 ] - [ 0.0003521400000000, 0.0018406600000000, 0.0014805500000000 ] - [ -0.0001319100000000, 0.0002837700000000, -0.0001420800000000 ] - [ -0.0002111100000000, -0.0001526600000000, 0.0012356000000000 ] - [ 0.0003718400000000, 0.0003187700000000, 0.0002272800000000 ] - [ 0.0001672300000000, -0.0002847800000000, -0.0001247800000000 ] - [ -0.0000596300000000, -0.0004306200000000, 0.0008018300000000 ] - [ -0.0000150300000000, 0.0003046800000000, -0.0007018900000000 ] - [ -0.0000868000000000, 0.0000113700000000, -0.0000126700000000 ] - [ 0.0003683100000000, 0.0002632700000000, 0.0003227900000000 ] - [ -0.0003468500000000, 0.0003155600000000, 0.0003264100000000 ] - [ 0.0001037200000000, -0.0000181500000000, 0.0000255100000000 ] - [ -0.0000434900000000, 0.0002758200000000, -0.0006459400000000 ] - [ -0.0000191600000000, -0.0000897600000000, 0.0003410100000000 ] - [ -0.0001496800000000, -0.0003021800000000, -0.0001623000000000 ] - [ -0.0003544500000000, 0.0001016600000000, 0.0000525100000000 ] - [ 0.0003469600000000, -0.0001159900000000, 0.0000426800000000 ] - [ 0.0002110000000000, 0.0003787100000000, -0.0002326700000000 ] - [ 0.0000180900000000, 0.0001708700000000, 0.0003651200000000 ] - [ -0.0000177300000000, -0.0001928800000000, -0.0005112500000000 ] - [ -0.0002401500000000, -0.0000152600000000, -0.0000488500000000 ] - [ 0.0002775800000000, -0.0001817600000000, 0.0002887600000000 ] - [ -0.0002756700000000, -0.0001805800000000, 0.0002493700000000 ] - [ 0.0002623200000000, -0.0000175700000000, -0.0000491900000000 ] - [ -0.0000074000000000, -0.0001806000000000, -0.0004785600000000 ] - [ 0.0000030500000000, 0.0001549000000000, 0.0003852800000000 ] - [ -0.0002139500000000, 0.0003932100000000, -0.0002531300000000 ] - [ -0.0003305600000000, -0.0001287500000000, 0.0000579400000000 ] - [ 0.0003199500000000, 0.0001744000000000, 0.0000892000000000 ] - [ 0.0002249900000000, -0.0003002300000000, -0.0002171000000000 ] - [ 0.0000270500000000, -0.0000816800000000, 0.0003148200000000 ] - [ -0.0000018500000000, 0.0002747900000000, -0.0005268100000000 ] - [ -0.0002541000000000, 0.0000571300000000, -0.0000463100000000 ] - [ 0.0003122700000000, 0.0002840000000000, 0.0002862600000000 ] - [ -0.0003031800000000, 0.0002625900000000, 0.0002819900000000 ] - [ 0.0002448700000000, 0.0000444600000000, -0.0000507100000000 ] - [ 0.0000215500000000, 0.0002862200000000, -0.0006138000000000 ] - [ -0.0000372600000000, -0.0000802300000000, 0.0003104100000000 ] - [ -0.0001812600000000, -0.0002836300000000, -0.0001704700000000 ] - [ -0.0003343700000000, 0.0001607000000000, 0.0000714500000000 ] - [ 0.0003335400000000, -0.0001493500000000, 0.0000622700000000 ] - [ 0.0001917900000000, 0.0002495800000000, -0.0001509800000000 ] - [ 0.0000138700000000, 0.0001063100000000, 0.0003348400000000 ] - [ -0.0000054500000000, -0.0003274100000000, -0.0006419300000000 ] - [ -0.0003099700000000, -0.0000588200000000, -0.0000667800000000 ] - [ 0.0002658200000000, -0.0001920300000000, 0.0002461300000000 ] - [ -0.0002948100000000, -0.0003224900000000, 0.0002965800000000 ] - [ 0.0002850900000000, -0.0000641900000000, -0.0000465400000000 ] - [ 0.0000101400000000, -0.0002118300000000, -0.0005200700000000 ] - [ -0.0000488000000000, 0.0000188000000000, 0.0002403400000000 ] - [ -0.0002194700000000, 0.0003490400000000, -0.0002258400000000 ] - [ -0.0002936100000000, -0.0001670200000000, 0.0001033200000000 ] - [ 0.0003602400000000, 0.0000652600000000, -0.0000868300000000 ] - [ 0.0002051500000000, -0.0003226500000000, -0.0001971700000000 ] - [ -0.0000934200000000, -0.0000753600000000, 0.0002201600000000 ] - [ 0.0000255600000000, 0.0002801600000000, -0.0006122300000000 ] - [ 0.0004682000000000, 0.0001627400000000, 0.0000645900000000 ] - [ 0.0003562900000000, -0.0003265600000000, -0.0003584100000000 ] - [ -0.0003147000000000, 0.0002616700000000, 0.0003138100000000 ] - [ 0.0003082500000000, -0.0000290700000000, -0.0000443300000000 ] - [ -0.0007752200000000, 0.0000508700000000, 0.0004454200000000 ] - [ -0.0001070200000000, -0.0001083500000000, -0.0001165200000000 ] - [ 0.0005248100000000, -0.0006841400000000, 0.0007351500000000 ] - [ -0.0004577700000000, 0.0003213700000000, -0.0011662800000000 ] - [ 0.0003375500000000, -0.0001247100000000, 0.0000541400000000 ] - [ 0.0001966000000000, 0.0003580300000000, -0.0002175400000000 ] - [ -0.0000088800000000, 0.0001445700000000, 0.0003797800000000 ] - [ -0.0000231700000000, -0.0002086000000000, -0.0005337100000000 ] - [ -0.0002274100000000, -0.0000266500000000, -0.0000432300000000 ] - [ 0.0003026700000000, -0.0002225900000000, 0.0002658300000000 ] - [ -0.0002900700000000, -0.0001973000000000, 0.0002583700000000 ] - [ 0.0002124100000000, -0.0000226500000000, -0.0000422700000000 ] - [ 0.0000266900000000, -0.0002220900000000, -0.0005457100000000 ] - [ 0.0000006700000000, 0.0001502500000000, 0.0003802300000000 ] - [ -0.0001826500000000, 0.0003572100000000, -0.0002095700000000 ] - [ -0.0003538300000000, -0.0001099600000000, 0.0000362600000000 ] - [ 0.0003320300000000, 0.0001653800000000, 0.0000794500000000 ] - [ 0.0001610600000000, -0.0002598300000000, -0.0001235300000000 ] - [ 0.0000297700000000, -0.0000705900000000, 0.0003054200000000 ] - [ -0.0000630600000000, 0.0003475200000000, -0.0006463200000000 ] - [ -0.0002239200000000, 0.0000614600000000, -0.0000411000000000 ] - [ 0.0003244100000000, 0.0003017400000000, 0.0002950200000000 ] - [ -0.0003357100000000, 0.0003363800000000, 0.0002746400000000 ] - [ 0.0002294900000000, 0.0000685600000000, -0.0000409900000000 ] - [ 0.0000253200000000, 0.0003025100000000, -0.0006366800000000 ] - [ -0.0000090200000000, -0.0000531800000000, 0.0003382400000000 ] - [ -0.0001693500000000, -0.0002655300000000, -0.0001566200000000 ] - [ -0.0003169200000000, 0.0001785600000000, 0.0000952000000000 ] - [ -0.0014412500000000, -0.0007187600000000, -0.0086141900000000 ] - [ -0.0017547900000000, 0.0009619000000000, -0.0015197300000000 ] - [ 0.0005061900000000, -0.0004241000000000, -0.0006493900000000 ] - [ 0.0003072800000000, 0.0001296200000000, -0.0002032200000000 ] - [ -0.0004121800000000, -0.0003331300000000, -0.0000994200000000 ] - [ 0.0004995700000000, -0.0004609300000000, -0.0001111900000000 ] - [ -0.0004744800000000, 0.0008642300000000, -0.0001501000000000 ] - [ 0.0003985600000000, 0.0007958700000000, -0.0001395700000000 ] - [ -0.0004307600000000, -0.0007919400000000, -0.0000321300000000 ] - [ 0.0006627400000000, -0.0009756700000000, -0.0000154500000000 ] - [ -0.0012933000000000, 0.0007210500000000, 0.0002646700000000 ] - [ 0.0119421400000000, 0.0053008700000000, 0.0142577100000000 ] - [ -0.0004181100000000, -0.0004767000000000, -0.0001137700000000 ] - [ 0.0003190000000000, -0.0004111000000000, -0.0001095500000000 ] - [ -0.0003702100000000, 0.0008512700000000, -0.0001545500000000 ] - [ 0.0004329900000000, 0.0009890600000000, -0.0001592600000000 ] - [ 0.0076375900000000, 0.0158670500000000, -0.0175001500000000 ] - [ -0.0013661500000000, -0.0019408800000000, -0.0022581700000000 ] - [ 0.0009275300000000, 0.0003154700000000, -0.0005616000000000 ] - [ -0.0098757000000000, -0.0264159300000000, -0.0295022100000000 ] - [ -0.0825482000000000, 0.0204670300000000, 0.4893259600000000 ] - [ -0.0002646000000000, -0.0000038600000000, -0.0004258400000000 ] - [ -0.0037780800000000, -0.0030816100000000, -0.0104363800000000 ] - [ 0.0001866100000000, -0.0001456500000000, 0.0008582000000000 ] - [ -0.0006980300000000, -0.0005229300000000, 0.0001955900000000 ] - [ -0.0024877400000000, 0.0028627200000000, -0.0003740200000000 ] - [ 0.0023772100000000, 0.0019969300000000, -0.0018315100000000 ] - [ -0.0000887000000000, 0.0001513500000000, -0.0002982800000000 ] - [ 0.0000534600000000, 0.0000585100000000, -0.0004056500000000 ] - [ 0.0009607400000000, -0.0000280400000000, -0.0000289000000000 ] - [ 0.0005277300000000, -0.0005755200000000, 0.0002248600000000 ] - [ 0.0000949300000000, 0.0000435100000000, -0.0001588000000000 ] - [ -0.0002733600000000, -0.0000114900000000, 0.0009480800000000 ] - [ -0.0006530100000000, 0.0002846500000000, -0.0005515400000000 ] - [ 0.0003697800000000, -0.0000018300000000, -0.0002422000000000 ] - [ -0.0002475400000000, 0.0002204100000000, 0.0011222500000000 ] - [ 0.0006564800000000, 0.0002555000000000, -0.0004408500000000 ] - [ -0.0007098800000000, -0.0001866500000000, 0.0001435800000000 ] - [ 0.0001348600000000, 0.0003125000000000, -0.0001051100000000 ] - [ 0.0000077100000000, 0.0000444400000000, 0.0000755400000000 ] - [ -0.0001463600000000, -0.0001301100000000, 0.0001883800000000 ] - [ -0.0000902800000000, -0.0005586300000000, -0.0000743900000000 ] - [ 0.0007951400000000, 0.0001883800000000, 0.0001880800000000 ] - [ -0.0006396200000000, -0.0003624200000000, -0.0004446400000000 ] - [ -0.0003046400000000, -0.0002060100000000, 0.0008930500000000 ] - [ -0.0004061500000000, -0.0001146100000000, -0.0002821700000000 ] - [ 0.0003395100000000, -0.0001220300000000, -0.0002720000000000 ] - [ 0.0003054000000000, -0.0002735200000000, 0.0008571700000000 ] - [ 0.0006129600000000, -0.0003417400000000, -0.0004560000000000 ] - [ -0.0008217100000000, 0.0002094900000000, 0.0001802900000000 ] - [ 0.0000860000000000, -0.0004584600000000, -0.0000860100000000 ] - [ 0.0001439600000000, -0.0001166800000000, 0.0001846100000000 ] - [ -0.0001304500000000, 0.0000066800000000, 0.0001521100000000 ] - [ -0.0001524100000000, 0.0002302000000000, -0.0000863600000000 ] - [ 0.0008178900000000, -0.0003274600000000, 0.0001820500000000 ] - [ -0.0005798500000000, 0.0002045100000000, -0.0004272300000000 ] - [ -0.0003181100000000, 0.0002409000000000, 0.0008439000000000 ] - [ -0.0003713800000000, -0.0000288700000000, -0.0002472200000000 ] - [ 0.0004165100000000, -0.0000384900000000, -0.0002740600000000 ] - [ 0.0003091300000000, -0.0000074200000000, 0.0009201200000000 ] - [ 0.0005599800000000, 0.0001583900000000, -0.0003970400000000 ] - [ -0.0007952300000000, -0.0002932400000000, 0.0001872100000000 ] - [ 0.0001483600000000, 0.0002430900000000, -0.0000834200000000 ] - [ 0.0001051700000000, -0.0000128500000000, 0.0001377500000000 ] - [ -0.0000929700000000, 0.0000735400000000, 0.0001427700000000 ] - [ -0.0001114500000000, -0.0002098400000000, -0.0000775800000000 ] - [ 0.0008524800000000, 0.0002713800000000, 0.0001958100000000 ] - [ -0.0005605700000000, -0.0000667600000000, -0.0003947600000000 ] - [ -0.0003343800000000, 0.0000682300000000, 0.0009124300000000 ] - [ -0.0003679000000000, -0.0000435700000000, -0.0002479200000000 ] - [ 0.0003211400000000, 0.0001093600000000, -0.0002086200000000 ] - [ 0.0003363700000000, -0.0001457600000000, 0.0008937000000000 ] - [ 0.0008706100000000, -0.0002677800000000, -0.0004807300000000 ] - [ -0.0008755500000000, 0.0003427900000000, 0.0001802500000000 ] - [ 0.0002890600000000, -0.0001363600000000, -0.0001519100000000 ] - [ 0.0002169400000000, 0.0000025900000000, 0.0002441200000000 ] - [ -0.0002000000000000, 0.0000788900000000, 0.0001290700000000 ] - [ -0.0001080900000000, 0.0005035700000000, -0.0000982700000000 ] - [ 0.0003666600000000, -0.0001619200000000, 0.0000609800000000 ] - [ -0.0010739200000000, 0.0000584400000000, -0.0007577400000000 ] - [ -0.0003749300000000, -0.0000025300000000, 0.0009473900000000 ] - [ -0.0008157800000000, 0.0002701800000000, 0.0000922000000000 ] - [ 0.0004356100000000, -0.0000404100000000, -0.0000319000000000 ] - [ 0.0003502300000000, 0.0005977700000000, -0.0001313800000000 ] - [ 0.0026866100000000, -0.0017293500000000, -0.0002462000000000 ] - [ -0.0011227600000000, -0.0002956700000000, 0.0004503400000000 ] - [ 0.0015246500000000, -0.0010885500000000, 0.0005116000000000 ] - [ -0.0015058700000000, 0.0053541600000000, 0.0001491000000000 ] - [ -0.0001042900000000, -0.0000865200000000, 0.0001661700000000 ] - [ -0.0000713500000000, -0.0004057000000000, -0.0000944800000000 ] - [ 0.0007943700000000, 0.0002258800000000, 0.0001781400000000 ] - [ -0.0005599300000000, -0.0003123500000000, -0.0004114400000000 ] - [ -0.0002919600000000, -0.0001705200000000, 0.0008993000000000 ] - [ -0.0003124100000000, -0.0000941000000000, -0.0002615900000000 ] - [ 0.0003508200000000, -0.0001055600000000, -0.0002752600000000 ] - [ 0.0002609800000000, -0.0001295800000000, 0.0008933800000000 ] - [ 0.0005635200000000, -0.0002938500000000, -0.0004156100000000 ] - [ -0.0007715900000000, 0.0001956700000000, 0.0001770500000000 ] - [ 0.0000748500000000, -0.0004400400000000, -0.0000880200000000 ] - [ 0.0001034300000000, -0.0000908700000000, 0.0001649800000000 ] - [ -0.0000567700000000, -0.0000516000000000, 0.0001117500000000 ] - [ -0.0001355100000000, 0.0001796800000000, -0.0000939000000000 ] - [ 0.0007899400000000, -0.0003247400000000, 0.0001807400000000 ] - [ -0.0004912800000000, 0.0000993700000000, -0.0003613400000000 ] - [ -0.0001878800000000, -0.0000806700000000, 0.0008435000000000 ] - [ -0.0003788700000000, -0.0000532100000000, -0.0002468600000000 ] - [ 0.0003534800000000, -0.0000353200000000, -0.0002725600000000 ] - [ 0.0003010800000000, -0.0000471600000000, 0.0009271200000000 ] - [ 0.0005050100000000, 0.0001071200000000, -0.0003702700000000 ] - [ -0.0008026700000000, -0.0003626900000000, 0.0001770000000000 ] - [ 0.0001533000000000, 0.0001011600000000, -0.0000970800000000 ] - [ 0.0000794100000000, -0.0000471400000000, 0.0001129500000000 ]- atom: 126 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004686600000000, -0.0009844000000000, -0.0005772800000000 ] - [ -0.0021490000000000, -0.0001497200000000, -0.0005156400000000 ] - [ 0.0002361700000000, 0.0010906100000000, -0.0006996500000000 ] - [ -0.0001035000000000, 0.0001451400000000, -0.0004724200000000 ] - [ -0.0006281700000000, 0.0005575000000000, -0.0004138400000000 ] - [ 0.0106842900000000, -0.0010601000000000, 0.0022237900000000 ] - [ -0.0003138900000000, -0.0003927100000000, -0.0004202000000000 ] - [ 0.0001129600000000, 0.0002330100000000, -0.0004290900000000 ] - [ 0.0004061600000000, -0.0000535400000000, -0.0000276100000000 ] - [ 0.0006510600000000, 0.0008760000000000, -0.0005932000000000 ] - [ 0.0834275400000000, -0.0651533200000000, -0.1143070900000000 ] - [ 0.0001491900000000, 0.0001091400000000, -0.0000726400000000 ] - [ -0.0000833100000000, -0.0000078300000000, -0.0000253600000000 ] - [ 0.0003182200000000, -0.0001997200000000, 0.0002669400000000 ] - [ 0.0001925200000000, 0.0001509500000000, -0.0000425100000000 ] - [ 0.0029747000000000, -0.0003481200000000, -0.0002484000000000 ] - [ 0.0000391600000000, -0.0002011700000000, -0.0005228400000000 ] - [ 0.0001101300000000, 0.0001526200000000, 0.0004498600000000 ] - [ -0.0001784000000000, 0.0003562200000000, -0.0002191200000000 ] - [ -0.0006195600000000, -0.0018649800000000, -0.0002378400000000 ] - [ 0.0003822600000000, 0.0001352100000000, 0.0000218500000000 ] - [ -0.0014078100000000, -0.0011023900000000, -0.0015268800000000 ] - [ -0.0001210000000000, -0.0004707500000000, 0.0006634900000000 ] - [ -0.0015455400000000, -0.0004217900000000, 0.0004160700000000 ] - [ -0.0002641100000000, 0.0000123000000000, -0.0000509000000000 ] - [ 0.0002003200000000, 0.0000616700000000, 0.0002056900000000 ] - [ -0.0006358400000000, 0.0002820900000000, 0.0002923300000000 ] - [ -0.0006525000000000, -0.0002263700000000, 0.0000529500000000 ] - [ -0.0000255500000000, 0.0001416800000000, -0.0004853600000000 ] - [ -0.0000341900000000, -0.0000892900000000, 0.0003182300000000 ] - [ -0.0002695700000000, -0.0003933300000000, -0.0002589500000000 ] - [ -0.0006291300000000, -0.0000712100000000, -0.0002777800000000 ] - [ 0.0006586000000000, -0.0005342700000000, -0.0001910600000000 ] - [ 0.0002464400000000, 0.0003596300000000, -0.0002111600000000 ] - [ 0.0000276000000000, 0.0001506600000000, 0.0003616100000000 ] - [ 0.0000621900000000, -0.0001813800000000, -0.0005863800000000 ] - [ 0.0017242600000000, 0.0006920800000000, 0.0003011400000000 ] - [ 0.0836562600000000, -0.1371712500000000, 0.0708790800000000 ] - [ -0.0001214200000000, -0.0000322600000000, 0.0001792300000000 ] - [ 0.0003862900000000, -0.0000262200000000, -0.0000549800000000 ] - [ 0.0007241900000000, 0.0003155100000000, -0.0016803300000000 ] - [ 0.0004322900000000, 0.0005418900000000, 0.0009557300000000 ] - [ -0.0011089900000000, 0.0016297300000000, 0.0011681200000000 ] - [ -0.0003361400000000, -0.0000929700000000, 0.0000451100000000 ] - [ 0.0000436700000000, 0.0005609600000000, 0.0005431100000000 ] - [ 0.0001754200000000, -0.0002487700000000, -0.0001515600000000 ] - [ 0.0000614300000000, 0.0000472000000000, 0.0002327100000000 ] - [ -0.0000201500000000, 0.0003118200000000, -0.0006446100000000 ] - [ -0.0010014300000000, 0.0000932200000000, -0.0000869900000000 ] - [ 0.0002380800000000, 0.0004130300000000, 0.0002981700000000 ] - [ -0.0003253600000000, 0.0003083200000000, 0.0002972400000000 ] - [ 0.0002153100000000, 0.0000846600000000, -0.0000453000000000 ] - [ -0.0000682300000000, 0.0004043400000000, -0.0007094100000000 ] - [ -0.0003617500000000, 0.0000420400000000, 0.0001433800000000 ] - [ -0.0002942600000000, -0.0002296200000000, -0.0001502800000000 ] - [ -0.0003564000000000, 0.0001772900000000, 0.0000658700000000 ] - [ 0.0002941400000000, -0.0001593100000000, 0.0001005000000000 ] - [ 0.0000279600000000, 0.0001993500000000, -0.0001115900000000 ] - [ -0.0002719100000000, 0.0001519200000000, 0.0004680300000000 ] - [ -0.0001187100000000, -0.0003003700000000, -0.0006509300000000 ] - [ -0.0003658100000000, -0.0000237700000000, -0.0000609300000000 ] - [ 0.0002464000000000, -0.0001625900000000, 0.0002372600000000 ] - [ -0.0004775100000000, -0.0003313500000000, 0.0003427700000000 ] - [ -0.0005150300000000, -0.0000075400000000, 0.0000450000000000 ] - [ 0.0000027900000000, -0.0001862500000000, -0.0005120900000000 ] - [ -0.0000818200000000, 0.0001650900000000, 0.0003518400000000 ] - [ -0.0002300300000000, 0.0003915300000000, -0.0002409500000000 ] - [ -0.0006599500000000, 0.0000736600000000, -0.0002868300000000 ] - [ 0.0002744800000000, 0.0002120800000000, 0.0001494800000000 ] - [ -0.0002866600000000, -0.0000757700000000, -0.0002951300000000 ] - [ -0.0000865200000000, 0.0000706100000000, 0.0002703600000000 ] - [ -0.0002247500000000, 0.0003795900000000, -0.0005934000000000 ] - [ -0.0002645000000000, 0.0001328500000000, -0.0000317400000000 ] - [ 0.0003910200000000, 0.0004916300000000, 0.0003543600000000 ] - [ -0.0017463200000000, 0.0014964000000000, 0.0011659900000000 ] - [ -0.0010291100000000, -0.0000629400000000, 0.0001135900000000 ] - [ 0.0000410900000000, 0.0004946700000000, -0.0009161100000000 ] - [ -0.0000346300000000, -0.0000395300000000, 0.0002754200000000 ] - [ -0.0000277400000000, -0.0000974100000000, 0.0000083100000000 ] - [ -0.0002526900000000, 0.0014850900000000, 0.0005594700000000 ] - [ 0.0001045700000000, -0.0002202300000000, 0.0002711900000000 ] - [ 0.0001403000000000, 0.0003837800000000, -0.0002218400000000 ] - [ -0.0000358900000000, 0.0001679700000000, 0.0004139700000000 ] - [ -0.0000733700000000, -0.0002122900000000, -0.0005061900000000 ] - [ -0.0009776000000000, -0.0001514600000000, -0.0001336100000000 ] - [ -0.0000026200000000, -0.0001703000000000, 0.0002066000000000 ] - [ -0.0003944000000000, -0.0002880300000000, 0.0002988100000000 ] - [ 0.0001048900000000, -0.0000114100000000, -0.0000318600000000 ] - [ -0.0002941000000000, -0.0003861500000000, -0.0007164200000000 ] - [ -0.0001814600000000, -0.0000320300000000, 0.0001552800000000 ] - [ -0.0005523800000000, 0.0001963300000000, -0.0000786600000000 ] - [ -0.0003579700000000, -0.0001299500000000, 0.0000378000000000 ] - [ 0.0001144600000000, -0.0000926000000000, 0.0002058000000000 ] - [ 0.0001692300000000, -0.0002800200000000, -0.0001664100000000 ] - [ -0.0000256500000000, -0.0001631400000000, 0.0003949500000000 ] - [ -0.0000286800000000, 0.0002958000000000, -0.0006245500000000 ] - [ -0.0000972000000000, -0.0003712200000000, 0.0000353600000000 ] - [ 0.0002698500000000, 0.0001019500000000, 0.0002404300000000 ] - [ -0.0003206300000000, 0.0003004900000000, 0.0002917000000000 ] - [ 0.0002586800000000, 0.0000410300000000, -0.0000415100000000 ] - [ 0.0000681400000000, 0.0001081600000000, -0.0004261500000000 ] - [ -0.0006517100000000, -0.0026353200000000, 0.0030775200000000 ] - [ -0.0001819100000000, -0.0005239700000000, -0.0003290200000000 ] - [ -0.0002957400000000, 0.0001675100000000, 0.0001051400000000 ] - [ -0.0000378300000000, 0.0000114200000000, -0.0000808400000000 ] - [ 0.0029297500000000, -0.0052914500000000, 0.0005005700000000 ] - [ -0.0002707600000000, 0.0006049600000000, -0.0001317300000000 ] - [ -0.0013474200000000, -0.0005239500000000, -0.0001487700000000 ] - [ 0.0034484900000000, -0.0030277500000000, -0.0003639600000000 ] - [ 0.0006154800000000, -0.0001042400000000, -0.0000799000000000 ] - [ -0.0053265300000000, 0.0057492600000000, 0.0019094500000000 ] - [ 0.0001393600000000, 0.0010783600000000, -0.0001929400000000 ] - [ -0.0007773700000000, -0.0006556700000000, -0.0001122300000000 ] - [ -0.0019874000000000, 0.0005035000000000, -0.0001776200000000 ] - [ -0.0006520000000000, 0.0011453200000000, -0.0001721400000000 ] - [ 0.0000451700000000, 0.0081121000000000, -0.0014471600000000 ] - [ -0.0020885200000000, -0.0006892100000000, 0.0000177300000000 ] - [ 0.0002363400000000, -0.0005849600000000, -0.0001368300000000 ] - [ -0.0016744400000000, -0.0010485600000000, -0.0002409400000000 ] - [ 0.0007496800000000, 0.0006765500000000, -0.0001052600000000 ] - [ -0.0016300300000000, -0.0016833800000000, 0.0005342200000000 ] - [ 0.0020589200000000, -0.0092597200000000, -0.0104884800000000 ] - [ 0.0006499300000000, 0.0001257600000000, 0.0001767300000000 ] - [ -0.0031550100000000, -0.0017816000000000, -0.0012261700000000 ] - [ -0.0009210800000000, -0.0005738600000000, 0.0008092500000000 ] - [ -0.1886029600000000, 0.2138292500000000, 0.0463855200000000 ] - [ -0.0001764900000000, -0.0002294700000000, -0.0000541500000000 ] - [ 0.0002200900000000, -0.0002540200000000, 0.0008878100000000 ] - [ 0.0003843300000000, -0.0002869200000000, -0.0003684900000000 ] - [ -0.0020547600000000, 0.0031502000000000, 0.0002873100000000 ] - [ -0.0000345900000000, -0.0002495400000000, -0.0001631000000000 ] - [ 0.0000028900000000, -0.0000583700000000, 0.0001440400000000 ] - [ 0.0003541900000000, 0.0017474400000000, 0.0018391800000000 ] - [ -0.0000254900000000, 0.0019448600000000, 0.0000546500000000 ] - [ 0.0007738200000000, -0.0001562800000000, 0.0002009800000000 ] - [ -0.0001813600000000, 0.0014440900000000, -0.0010837100000000 ] - [ 0.0028581700000000, 0.0001388800000000, 0.0013651300000000 ] - [ -0.0002109500000000, 0.0004902600000000, -0.0004317700000000 ] - [ 0.0004046700000000, -0.0000282400000000, -0.0002560800000000 ] - [ 0.0004571400000000, 0.0003074800000000, 0.0009178600000000 ] - [ 0.0007211900000000, 0.0004010400000000, -0.0004338700000000 ] - [ 0.0001513000000000, 0.0001724900000000, 0.0001414600000000 ] - [ 0.0001819600000000, 0.0003201400000000, -0.0000786900000000 ] - [ 0.0002138800000000, 0.0000905000000000, 0.0001659400000000 ] - [ -0.0002598900000000, -0.0000759700000000, 0.0001743400000000 ] - [ -0.0001709800000000, -0.0004475600000000, -0.0000826500000000 ] - [ -0.0015116800000000, 0.0012113200000000, 0.0005002300000000 ] - [ -0.0008443700000000, -0.0003882400000000, -0.0004176600000000 ] - [ -0.0006856300000000, 0.0000525400000000, 0.0009526700000000 ] - [ -0.0004280000000000, -0.0001313100000000, -0.0002729000000000 ] - [ -0.0001747300000000, -0.0004481200000000, -0.0005695600000000 ] - [ -0.0003339200000000, -0.0010444000000000, -0.0033245600000000 ] - [ 0.0043601200000000, -0.0112089500000000, 0.0045857300000000 ] - [ -0.0009491200000000, 0.0000949700000000, 0.0001932600000000 ] - [ -0.0002249800000000, -0.0026393000000000, -0.0004432800000000 ] - [ -0.0000122300000000, -0.0015205600000000, -0.0008671900000000 ] - [ -0.0000970400000000, -0.0001047900000000, 0.0000802400000000 ] - [ -0.0002581500000000, -0.0001276100000000, -0.0000921500000000 ] - [ 0.0017181600000000, -0.0010579900000000, 0.0002593600000000 ] - [ -0.0005020100000000, 0.0000534500000000, -0.0003610900000000 ] - [ -0.0003043700000000, -0.0000262700000000, 0.0009276800000000 ] - [ -0.0003248300000000, -0.0002694700000000, -0.0001756700000000 ] - [ 0.0011598900000000, -0.0000659900000000, -0.0000887600000000 ] - [ 0.0005324400000000, -0.0002829500000000, 0.0009650400000000 ] - [ 0.0015837300000000, -0.0000927600000000, -0.0006601100000000 ] - [ -0.0007558800000000, -0.0003635200000000, 0.0002022700000000 ] - [ 0.0008789100000000, 0.0000804000000000, -0.0000733900000000 ] - [ 0.0007338100000000, -0.0000581700000000, 0.0000784400000000 ] - [ 0.0006114900000000, 0.0001781700000000, 0.0001394100000000 ] - [ 0.0004854800000000, -0.0000324100000000, -0.0002045300000000 ] - [ 0.0009321100000000, 0.0002505400000000, 0.0002026000000000 ] - [ 0.0005928100000000, -0.0000814900000000, -0.0001131700000000 ] - [ 0.0000020000000000, -0.0000866000000000, 0.0009171100000000 ] - [ 0.0003512600000000, -0.0000205600000000, -0.0002095400000000 ] - [ 0.0006503400000000, -0.0000791800000000, -0.0003341300000000 ] - [ 0.0003622000000000, -0.0001948400000000, 0.0008995100000000 ] - [ 0.0007896900000000, -0.0003767100000000, -0.0004831400000000 ] - [ -0.0000125100000000, -0.0000324400000000, 0.0001451300000000 ] - [ 0.0001823100000000, -0.0006093600000000, -0.0000489300000000 ] - [ 0.0002390900000000, -0.0001606000000000, 0.0001794200000000 ] - [ 0.0010848500000000, -0.0002534700000000, -0.0000146900000000 ] - [ 0.0002586900000000, -0.0003115400000000, -0.0001043500000000 ] - [ 0.0009038200000000, -0.0004826600000000, 0.0001919900000000 ] - [ 0.0010368700000000, -0.0008266300000000, -0.0004928600000000 ] - [ 0.0007502400000000, 0.0005105100000000, 0.0012018900000000 ] - [ -0.0002093500000000, -0.0004485100000000, -0.0002188200000000 ] - [ 0.0003789900000000, -0.0000757500000000, -0.0002187000000000 ] - [ 0.0003727800000000, -0.0007850100000000, 0.0009841200000000 ] - [ 0.0003777200000000, -0.0001966200000000, -0.0002789200000000 ] - [ 0.0013173800000000, -0.0023329800000000, 0.0008713100000000 ] - [ 0.0001407900000000, 0.0000105000000000, -0.0001103300000000 ] - [ -0.0000404300000000, -0.0002171200000000, 0.0000542900000000 ] - [ 0.0000048000000000, -0.0001383500000000, 0.0001585000000000 ] - [ 0.0000113000000000, -0.0005072500000000, -0.0000957700000000 ] - [ 0.0015910800000000, 0.0003736800000000, 0.0002594700000000 ] - [ -0.0003897900000000, -0.0002914500000000, -0.0004188300000000 ] - [ -0.0000242400000000, -0.0002913900000000, 0.0008608500000000 ] - [ -0.0002818000000000, -0.0001382400000000, -0.0002741700000000 ] - [ 0.0006496300000000, 0.0000765300000000, -0.0001634500000000 ] - [ 0.0012134200000000, 0.0001909500000000, 0.0008696700000000 ] - [ 0.0014532700000000, 0.0000585900000000, -0.0004782200000000 ] - [ -0.0006723800000000, 0.0002725200000000, 0.0001865500000000 ] - [ 0.0005714000000000, 0.0002498200000000, -0.0000631300000000 ] - [ 0.0007562900000000, 0.0003246000000000, 0.0000147800000000 ] - [ -0.0000727100000000, 0.0000134700000000, 0.0001518600000000 ] - [ -0.0000484100000000, 0.0004137200000000, -0.0001015800000000 ] - [ 0.0010022100000000, 0.0003693100000000, 0.0001348500000000 ] - [ -0.0005404600000000, 0.0001580200000000, -0.0004062300000000 ] - [ -0.0002957500000000, -0.0000260700000000, 0.0009197400000000 ] - [ -0.0003246200000000, 0.0002077200000000, -0.0002737700000000 ] - [ 0.0097996800000000, 0.0039139500000000, -0.0010453700000000 ] - [ 0.0002340300000000, 0.0004066000000000, 0.0009009400000000 ] - [ 0.0000955600000000, 0.0009015000000000, -0.0005153800000000 ] - [ -0.0008615000000000, -0.0003215800000000, 0.0001879600000000 ] - [ -0.0013225600000000, 0.0038123400000000, -0.0006989400000000 ] - [ -0.0003912700000000, 0.0008087800000000, 0.0004356500000000 ]- atom: 126 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004646300000000, 0.0009855100000000, -0.0003336000000000 ] - [ 0.0021420900000000, 0.0001514700000000, -0.0003944500000000 ] - [ -0.0002348800000000, -0.0010922800000000, -0.0002084000000000 ] - [ 0.0001043100000000, -0.0001451300000000, -0.0004363900000000 ] - [ 0.0006244400000000, -0.0005590200000000, -0.0004952500000000 ] - [ -0.0108366500000000, 0.0010010700000000, -0.0034026300000000 ] - [ 0.0003135300000000, 0.0003958900000000, -0.0004884900000000 ] - [ -0.0001134200000000, -0.0002324100000000, -0.0004797000000000 ] - [ 0.0002637500000000, -0.0002341600000000, 0.0001577800000000 ] - [ -0.0002715600000000, -0.0002324500000000, 0.0002015800000000 ] - [ -0.0822044900000000, 0.0675609400000000, 0.1179387200000000 ] - [ -0.0001926800000000, -0.0006016000000000, -0.0010721000000000 ] - [ -0.0003932100000000, -0.0000715800000000, -0.0000639300000000 ] - [ 0.0002828700000000, -0.0002821500000000, 0.0002768300000000 ] - [ -0.0007915800000000, -0.0006309700000000, 0.0005849900000000 ] - [ -0.0025032400000000, 0.0002804700000000, 0.0001624900000000 ] - [ 0.0000048600000000, -0.0002931000000000, -0.0006251700000000 ] - [ -0.0001347800000000, 0.0000759400000000, 0.0002427400000000 ] - [ -0.0002006900000000, 0.0002861200000000, -0.0001719000000000 ] - [ -0.0000410900000000, 0.0015664300000000, 0.0003766800000000 ] - [ 0.0002880100000000, 0.0001522000000000, 0.0001076400000000 ] - [ 0.0017662300000000, 0.0004501000000000, 0.0011173900000000 ] - [ 0.0001469800000000, 0.0002410700000000, 0.0000292600000000 ] - [ 0.0014826800000000, 0.0009078000000000, -0.0015535300000000 ] - [ -0.0002129200000000, 0.0000668100000000, -0.0000386200000000 ] - [ 0.0004008500000000, 0.0004200000000000, 0.0003380000000000 ] - [ 0.0000336300000000, 0.0002005300000000, 0.0002517000000000 ] - [ 0.0011285800000000, 0.0003041500000000, -0.0001422300000000 ] - [ 0.0000696700000000, 0.0003523100000000, -0.0006626300000000 ] - [ 0.0000087600000000, -0.0001389300000000, 0.0003734400000000 ] - [ -0.0001092000000000, -0.0002491200000000, -0.0001319200000000 ] - [ -0.0000410300000000, 0.0003580400000000, 0.0004069200000000 ] - [ 0.0000078400000000, 0.0002426000000000, 0.0003243600000000 ] - [ 0.0001332000000000, 0.0002831300000000, -0.0001803700000000 ] - [ -0.0000018400000000, 0.0000775400000000, 0.0003301900000000 ] - [ -0.0001059800000000, -0.0003124800000000, -0.0005608400000000 ] - [ -0.0021931900000000, -0.0007668500000000, -0.0003882900000000 ] - [ -0.0844189900000000, 0.1329307100000000, -0.0688878400000000 ] - [ -0.0004793500000000, -0.0004495500000000, 0.0003643300000000 ] - [ 0.0000918100000000, -0.0000533500000000, -0.0000348000000000 ] - [ -0.0006808600000000, -0.0007848200000000, 0.0005320000000000 ] - [ -0.0004587700000000, -0.0003142700000000, -0.0002658600000000 ] - [ 0.0007151500000000, -0.0009677300000000, -0.0015399400000000 ] - [ -0.0003336200000000, -0.0001945300000000, 0.0000842800000000 ] - [ 0.0006261200000000, -0.0002723500000000, -0.0004084100000000 ] - [ 0.0002037800000000, -0.0003934900000000, -0.0002391900000000 ] - [ -0.0000347400000000, -0.0002750200000000, 0.0004578500000000 ] - [ -0.0000235500000000, 0.0001828200000000, -0.0005042000000000 ] - [ 0.0005278300000000, -0.0000125100000000, -0.0000027800000000 ] - [ 0.0003630900000000, 0.0000681700000000, 0.0002452200000000 ] - [ -0.0002751900000000, 0.0001734500000000, 0.0002465700000000 ] - [ 0.0002631700000000, -0.0000053800000000, -0.0000443700000000 ] - [ 0.0001127200000000, 0.0000898900000000, -0.0004386800000000 ] - [ 0.0003356100000000, -0.0002689100000000, 0.0005478700000000 ] - [ -0.0000841600000000, -0.0004121600000000, -0.0002403700000000 ] - [ -0.0003131100000000, 0.0001101600000000, 0.0000638900000000 ] - [ 0.0003757800000000, -0.0001286900000000, 0.0000296300000000 ] - [ 0.0003510500000000, 0.0004415100000000, -0.0002784400000000 ] - [ 0.0002973100000000, 0.0000763200000000, 0.0002243600000000 ] - [ 0.0000749600000000, -0.0001950700000000, -0.0004983000000000 ] - [ -0.0001116700000000, -0.0000557900000000, -0.0000285600000000 ] - [ 0.0003545600000000, -0.0003192300000000, 0.0003064700000000 ] - [ -0.0001238500000000, -0.0001522800000000, 0.0002016500000000 ] - [ 0.0009906400000000, -0.0000722700000000, -0.0001341000000000 ] - [ 0.0000411800000000, -0.0003080400000000, -0.0006359700000000 ] - [ 0.0000562700000000, 0.0000628600000000, 0.0003400200000000 ] - [ -0.0001491600000000, 0.0002507700000000, -0.0001500500000000 ] - [ -0.0000092800000000, -0.0003625600000000, 0.0004182600000000 ] - [ 0.0003952400000000, 0.0000755900000000, -0.0000192700000000 ] - [ 0.0006670400000000, -0.0005670300000000, -0.0000924600000000 ] - [ 0.0001110500000000, -0.0003004000000000, 0.0004230600000000 ] - [ 0.0001796300000000, 0.0001134800000000, -0.0005566100000000 ] - [ -0.0002133100000000, -0.0000531600000000, -0.0000576200000000 ] - [ 0.0002098300000000, -0.0000093500000000, 0.0001896900000000 ] - [ 0.0011569500000000, -0.0010210200000000, -0.0006289400000000 ] - [ 0.0015028800000000, 0.0001430500000000, -0.0002063800000000 ] - [ 0.0000031300000000, 0.0000002700000000, -0.0002351400000000 ] - [ 0.0000087200000000, -0.0001882400000000, 0.0004155400000000 ] - [ -0.0003503600000000, -0.0005435400000000, -0.0003974100000000 ] - [ -0.0004109600000000, -0.0012132200000000, -0.0004324000000000 ] - [ 0.0005659600000000, -0.0000668900000000, -0.0001417300000000 ] - [ 0.0002398700000000, 0.0002591800000000, -0.0001698900000000 ] - [ 0.0000617300000000, 0.0000602100000000, 0.0002780100000000 ] - [ 0.0000299500000000, -0.0002812000000000, -0.0006407600000000 ] - [ 0.0005023300000000, 0.0000721900000000, 0.0000444600000000 ] - [ 0.0006041200000000, -0.0003125600000000, 0.0003377400000000 ] - [ -0.0002055200000000, -0.0001925200000000, 0.0002442200000000 ] - [ 0.0003735100000000, -0.0000679900000000, -0.0000579500000000 ] - [ 0.0003399200000000, -0.0001083900000000, -0.0004319600000000 ] - [ 0.0001557800000000, 0.0002606000000000, 0.0005361500000000 ] - [ 0.0001754000000000, 0.0004457400000000, -0.0003130200000000 ] - [ -0.0003119300000000, -0.0001573700000000, 0.0000914500000000 ] - [ 0.0005563800000000, 0.0003823000000000, -0.0000767100000000 ] - [ 0.0002098900000000, -0.0003621100000000, -0.0002243200000000 ] - [ 0.0000518300000000, -0.0000645700000000, 0.0002960000000000 ] - [ -0.0000150700000000, 0.0001985800000000, -0.0005238400000000 ] - [ -0.0003836000000000, 0.0004532200000000, -0.0001256400000000 ] - [ 0.0003303500000000, 0.0003792000000000, 0.0003027500000000 ] - [ -0.0002799200000000, 0.0001809900000000, 0.0002518400000000 ] - [ 0.0002190400000000, 0.0000384200000000, -0.0000482200000000 ] - [ -0.0000246300000000, 0.0003857500000000, -0.0007215400000000 ] - [ 0.0006259300000000, 0.0024264700000000, -0.0024044300000000 ] - [ -0.0001979200000000, -0.0001186200000000, -0.0000622300000000 ] - [ -0.0003740300000000, 0.0001199600000000, 0.0000245100000000 ] - [ -0.0008071500000000, -0.0012960700000000, -0.0001864700000000 ] - [ -0.0020464800000000, 0.0039807200000000, -0.0007877700000000 ] - [ -0.0005734600000000, 0.0006834400000000, -0.0001364000000000 ] - [ 0.0021900000000000, 0.0018033600000000, -0.0001193100000000 ] - [ -0.0043061600000000, 0.0017428000000000, 0.0000937500000000 ] - [ 0.0002302100000000, -0.0011850300000000, -0.0001878600000000 ] - [ 0.0045245700000000, -0.0044460500000000, -0.0022423700000000 ] - [ 0.0007078600000000, 0.0002096700000000, -0.0000758000000000 ] - [ -0.0000673700000000, -0.0006331400000000, -0.0001559200000000 ] - [ 0.0028324900000000, -0.0017987200000000, -0.0000922600000000 ] - [ -0.0001951200000000, 0.0001431000000000, -0.0000961300000000 ] - [ 0.0007780500000000, -0.0067505900000000, 0.0011525000000000 ] - [ 0.0012487000000000, -0.0005901400000000, -0.0002863300000000 ] - [ 0.0006087300000000, -0.0007013500000000, -0.0001315900000000 ] - [ 0.0008285100000000, 0.0023425700000000, -0.0000239700000000 ] - [ 0.0000941800000000, 0.0006113800000000, -0.0001634600000000 ] - [ 0.0014126400000000, 0.0016121600000000, -0.0002233700000000 ] - [ -0.0021849500000000, 0.0084863300000000, 0.0102399000000000 ] - [ 0.0009602900000000, 0.0004132100000000, 0.0002098900000000 ] - [ 0.0020164400000000, 0.0013137000000000, 0.0003997200000000 ] - [ 0.0003220900000000, 0.0003765200000000, 0.0010072400000000 ] - [ 0.1883060700000000, -0.2122391300000000, -0.0507925600000000 ] - [ 0.0009128700000000, 0.0001414900000000, -0.0004576200000000 ] - [ 0.0003769800000000, 0.0000595400000000, 0.0009304600000000 ] - [ 0.0007452000000000, -0.0001726400000000, -0.0004520500000000 ] - [ 0.0004245500000000, -0.0026229500000000, 0.0000974400000000 ] - [ 0.0002622800000000, -0.0004197600000000, -0.0000178100000000 ] - [ 0.0002106400000000, -0.0000215400000000, 0.0001503600000000 ] - [ -0.0005706700000000, -0.0016500200000000, -0.0015271300000000 ] - [ -0.0002057100000000, -0.0012685000000000, -0.0002308700000000 ] - [ 0.0008369300000000, -0.0003823000000000, 0.0001879600000000 ] - [ -0.0009471800000000, -0.0009739000000000, 0.0002547000000000 ] - [ -0.0034114700000000, 0.0000464700000000, 0.0004627700000000 ] - [ -0.0005284400000000, -0.0004033800000000, -0.0000829200000000 ] - [ 0.0003338100000000, 0.0001132700000000, -0.0002568800000000 ] - [ 0.0001382200000000, -0.0001120700000000, 0.0009000800000000 ] - [ 0.0004096700000000, 0.0000586700000000, -0.0003875600000000 ] - [ -0.0017595100000000, -0.0007099100000000, 0.0002463100000000 ] - [ 0.0000467100000000, 0.0003487400000000, -0.0001018700000000 ] - [ 0.0000000600000000, -0.0000110300000000, 0.0001288900000000 ] - [ 0.0000463000000000, -0.0000029400000000, 0.0001198900000000 ] - [ -0.0000569100000000, -0.0002221500000000, -0.0000982500000000 ] - [ 0.0031233700000000, -0.0006530100000000, -0.0000989400000000 ] - [ -0.0002877000000000, -0.0000709300000000, -0.0004040000000000 ] - [ 0.0000875600000000, -0.0002480400000000, 0.0008653100000000 ] - [ -0.0003101200000000, 0.0000456700000000, -0.0002419900000000 ] - [ 0.0009140300000000, 0.0003625700000000, 0.0000571600000000 ] - [ 0.0009360500000000, 0.0008275500000000, 0.0050803000000000 ] - [ -0.0033399000000000, 0.0108100900000000, -0.0054186100000000 ] - [ -0.0006614400000000, 0.0004438900000000, 0.0001943400000000 ] - [ 0.0004489300000000, 0.0019752300000000, 0.0002688000000000 ] - [ 0.0002372400000000, 0.0014177400000000, 0.0011697800000000 ] - [ -0.0001166400000000, 0.0001835500000000, 0.0002151800000000 ] - [ 0.0000295400000000, 0.0007956300000000, -0.0000864800000000 ] - [ -0.0001127900000000, 0.0005185400000000, 0.0001266400000000 ] - [ -0.0006271900000000, 0.0004049100000000, -0.0004583900000000 ] - [ -0.0002936300000000, 0.0002197500000000, 0.0008911500000000 ] - [ -0.0004145700000000, 0.0003566100000000, -0.0003354800000000 ] - [ -0.0004192000000000, 0.0001496400000000, -0.0004228200000000 ] - [ 0.0000645300000000, 0.0004763400000000, 0.0008530000000000 ] - [ -0.0004565700000000, 0.0005526100000000, -0.0001595400000000 ] - [ -0.0008554000000000, -0.0001758500000000, 0.0001869700000000 ] - [ -0.0006498800000000, 0.0005850900000000, -0.0001073800000000 ] - [ -0.0005223800000000, 0.0001352200000000, 0.0002146700000000 ] - [ -0.0008231000000000, -0.0002551000000000, 0.0001552700000000 ] - [ -0.0007120400000000, -0.0006341500000000, 0.0000240300000000 ] - [ 0.0006796300000000, 0.0002893000000000, 0.0001854300000000 ] - [ -0.0017206500000000, -0.0003763900000000, -0.0007076100000000 ] - [ -0.0005989400000000, -0.0001055200000000, 0.0009013500000000 ] - [ -0.0010891700000000, -0.0000647200000000, -0.0003047400000000 ] - [ 0.0000889700000000, -0.0000056000000000, -0.0001802000000000 ] - [ 0.0002350000000000, -0.0000000400000000, 0.0009190200000000 ] - [ 0.0003420000000000, -0.0000827100000000, -0.0003391300000000 ] - [ -0.0015959400000000, 0.0005747600000000, 0.0002418900000000 ] - [ 0.0000462500000000, -0.0000596600000000, -0.0001307800000000 ] - [ -0.0000249200000000, 0.0000818800000000, 0.0001157800000000 ] - [ -0.0012976700000000, 0.0003340200000000, 0.0003090600000000 ] - [ -0.0004823900000000, 0.0009848000000000, -0.0000761900000000 ] - [ 0.0007078200000000, -0.0000577700000000, 0.0001960500000000 ] - [ -0.0021648200000000, 0.0012927100000000, -0.0003247900000000 ] - [ -0.0013403400000000, -0.0003162600000000, 0.0006122300000000 ] - [ -0.0005268000000000, 0.0005352600000000, -0.0002950100000000 ] - [ 0.0003602100000000, 0.0001613500000000, -0.0002950100000000 ] - [ 0.0002249400000000, 0.0009717600000000, 0.0008361200000000 ] - [ 0.0007529600000000, 0.0006537200000000, -0.0005406600000000 ] - [ -0.0029435000000000, 0.0018098400000000, -0.0005134800000000 ] - [ 0.0000874100000000, 0.0006574600000000, -0.0000699600000000 ] - [ 0.0002544000000000, 0.0002942600000000, 0.0002382500000000 ] - [ -0.0002188600000000, 0.0000591100000000, 0.0001367700000000 ] - [ -0.0002385100000000, -0.0001617800000000, -0.0000853400000000 ] - [ 0.0000179900000000, 0.0001641300000000, 0.0001282700000000 ] - [ -0.0007430100000000, -0.0001696100000000, -0.0004034400000000 ] - [ -0.0005739600000000, 0.0000958400000000, 0.0009572600000000 ] - [ -0.0004561600000000, 0.0000514700000000, -0.0002399500000000 ] - [ 0.0000880800000000, -0.0001626100000000, -0.0003502300000000 ] - [ -0.0006172900000000, -0.0003833700000000, 0.0009487600000000 ] - [ -0.0003270900000000, -0.0005175000000000, -0.0003416700000000 ] - [ -0.0009383800000000, 0.0002656200000000, 0.0002017400000000 ] - [ -0.0003431400000000, -0.0009191900000000, -0.0001164000000000 ] - [ -0.0005439400000000, -0.0004048200000000, 0.0002809000000000 ] - [ -0.0001408000000000, 0.0000645200000000, 0.0001432400000000 ] - [ -0.0001791600000000, 0.0002532600000000, -0.0000786200000000 ] - [ 0.0006092200000000, -0.0009132200000000, 0.0002526700000000 ] - [ -0.0005895900000000, 0.0003013200000000, -0.0004144400000000 ] - [ -0.0003005400000000, 0.0002193000000000, 0.0008986100000000 ] - [ -0.0004138000000000, -0.0001220200000000, -0.0002392600000000 ] - [ -0.0092382700000000, -0.0039111200000000, 0.0005269200000000 ] - [ 0.0003651400000000, -0.0002127800000000, 0.0009171300000000 ] - [ 0.0010400200000000, -0.0004423800000000, -0.0003061800000000 ] - [ -0.0007488200000000, -0.0002177000000000, 0.0001997800000000 ] - [ 0.0015541600000000, -0.0031494700000000, 0.0005247400000000 ] - [ 0.0006099400000000, -0.0007303300000000, -0.0001428900000000 ]- atom: 126 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009934700000000, -0.0015964500000000, -0.0001223800000000 ] - [ 0.0003362100000000, 0.0016116100000000, -0.0004539000000000 ] - [ 0.0003711100000000, -0.0015914400000000, -0.0002974500000000 ] - [ -0.0000142000000000, -0.0008383000000000, -0.0004495200000000 ] - [ 0.0007182600000000, -0.0004096100000000, -0.0003512700000000 ] - [ -0.0008962900000000, 0.0108205300000000, -0.0001473600000000 ] - [ -0.0002905800000000, -0.0004456400000000, -0.0005665000000000 ] - [ -0.0000332800000000, -0.0011117100000000, -0.0004639400000000 ] - [ 0.0002701500000000, -0.0003595100000000, 0.0002154100000000 ] - [ -0.0000256100000000, -0.0005574200000000, 0.0003959200000000 ] - [ -0.0738825400000000, 0.0902480400000000, 0.1196443700000000 ] - [ -0.0000550900000000, -0.0008276600000000, -0.0010933300000000 ] - [ -0.0003289200000000, -0.0002078400000000, -0.0000594700000000 ] - [ 0.0004106600000000, -0.0005966600000000, 0.0003910700000000 ] - [ -0.0006125500000000, -0.0009365700000000, 0.0004128900000000 ] - [ 0.0002392200000000, -0.0024405800000000, -0.0005957700000000 ] - [ 0.0000241300000000, -0.0005650100000000, -0.0009105200000000 ] - [ -0.0002689300000000, -0.0002239800000000, -0.0000596000000000 ] - [ -0.0001066700000000, 0.0000071300000000, 0.0000082800000000 ] - [ -0.0020251600000000, -0.0004498400000000, -0.0017772700000000 ] - [ 0.0003553900000000, -0.0000241800000000, -0.0000284100000000 ] - [ -0.0005406600000000, 0.0011303000000000, 0.0003214200000000 ] - [ -0.0002582700000000, -0.0003200300000000, 0.0004884000000000 ] - [ -0.0001153200000000, 0.0014463700000000, -0.0015413100000000 ] - [ -0.0003703700000000, -0.0000277700000000, -0.0000545800000000 ] - [ 0.0001407600000000, -0.0000530300000000, 0.0001637700000000 ] - [ -0.0005777200000000, 0.0012843800000000, 0.0006138000000000 ] - [ -0.0007098300000000, 0.0002093000000000, 0.0001309900000000 ] - [ -0.0000099300000000, 0.0000814500000000, -0.0004403000000000 ] - [ 0.0000564400000000, -0.0003200200000000, 0.0005327100000000 ] - [ -0.0002657800000000, -0.0004831900000000, -0.0002867100000000 ] - [ -0.0003696500000000, 0.0002045800000000, 0.0000811800000000 ] - [ -0.0001960500000000, -0.0011881100000000, 0.0006160800000000 ] - [ 0.0000251700000000, -0.0000594800000000, 0.0000587800000000 ] - [ 0.0001160700000000, -0.0001608800000000, 0.0000896100000000 ] - [ -0.0000639500000000, -0.0006513100000000, -0.0009844900000000 ] - [ 0.0001948400000000, -0.0008766200000000, -0.0004673300000000 ] - [ -0.1223446900000000, 0.2457821100000000, -0.1257315300000000 ] - [ -0.0005128200000000, -0.0007426900000000, 0.0004534800000000 ] - [ 0.0002334200000000, -0.0002046300000000, -0.0000390900000000 ] - [ -0.0005035400000000, 0.0012352200000000, 0.0014782000000000 ] - [ -0.0002426300000000, -0.0003792900000000, -0.0001701300000000 ] - [ 0.0009277900000000, 0.0005480100000000, -0.0015953300000000 ] - [ -0.0002509800000000, -0.0003403300000000, 0.0002220800000000 ] - [ 0.0008064800000000, -0.0001991100000000, -0.0003865800000000 ] - [ 0.0002864600000000, -0.0006338500000000, -0.0003986200000000 ] - [ -0.0000264000000000, -0.0003999700000000, 0.0005642100000000 ] - [ -0.0000119700000000, -0.0000523300000000, -0.0002426100000000 ] - [ 0.0007556000000000, 0.0001302400000000, -0.0000391300000000 ] - [ 0.0003977200000000, 0.0000395300000000, 0.0002457500000000 ] - [ -0.0001892800000000, -0.0000809300000000, 0.0001578600000000 ] - [ 0.0002868200000000, -0.0000878300000000, -0.0000559300000000 ] - [ 0.0001153100000000, 0.0000582800000000, -0.0004069200000000 ] - [ 0.0000013300000000, 0.0002394200000000, 0.0000588900000000 ] - [ -0.0000741800000000, -0.0004014400000000, -0.0002346700000000 ] - [ -0.0003536700000000, 0.0000141000000000, -0.0000158300000000 ] - [ 0.0002860300000000, -0.0002592600000000, 0.0001582900000000 ] - [ 0.0001714100000000, 0.0003270200000000, -0.0001958000000000 ] - [ -0.0000901900000000, 0.0004631000000000, 0.0006573300000000 ] - [ -0.0000339100000000, -0.0002633100000000, -0.0005922600000000 ] - [ -0.0002036000000000, -0.0001242100000000, -0.0000323700000000 ] - [ 0.0004030400000000, -0.0005280100000000, 0.0003735000000000 ] - [ -0.0002745100000000, -0.0002559300000000, 0.0002672600000000 ] - [ 0.0003512600000000, 0.0000091900000000, -0.0000473000000000 ] - [ 0.0000379900000000, -0.0005025100000000, -0.0008447300000000 ] - [ 0.0000015400000000, -0.0000034800000000, 0.0002443900000000 ] - [ -0.0001045800000000, 0.0000618500000000, -0.0000299000000000 ] - [ -0.0001836800000000, -0.0000657400000000, 0.0001385900000000 ] - [ 0.0004287300000000, -0.0000155800000000, -0.0000924700000000 ] - [ 0.0001789500000000, 0.0003728100000000, 0.0001134600000000 ] - [ 0.0002978700000000, -0.0001216100000000, 0.0002052300000000 ] - [ 0.0001291000000000, 0.0010302500000000, -0.0011602700000000 ] - [ -0.0000533800000000, -0.0001358600000000, -0.0000410500000000 ] - [ 0.0003217200000000, -0.0000565800000000, 0.0001997600000000 ] - [ -0.0000405500000000, 0.0019776600000000, 0.0006582000000000 ] - [ 0.0020207500000000, 0.0007416400000000, -0.0004375200000000 ] - [ 0.0001025600000000, -0.0001817600000000, -0.0000817000000000 ] - [ 0.0001136500000000, -0.0003980000000000, 0.0006279200000000 ] - [ -0.0003071500000000, -0.0007202000000000, -0.0004810800000000 ] - [ 0.0008359100000000, -0.0010830200000000, 0.0005832400000000 ] - [ 0.0005070300000000, 0.0000041900000000, -0.0001299700000000 ] - [ 0.0001939600000000, 0.0001259400000000, -0.0000981800000000 ] - [ 0.0001023000000000, -0.0000971500000000, 0.0001413100000000 ] - [ 0.0000038000000000, -0.0004182100000000, -0.0007425900000000 ] - [ -0.0002051600000000, 0.0000646700000000, -0.0000658100000000 ] - [ 0.0001812000000000, 0.0002353100000000, 0.0001163700000000 ] - [ -0.0003246300000000, -0.0004060700000000, 0.0003279800000000 ] - [ 0.0002822800000000, -0.0001216700000000, -0.0000515900000000 ] - [ -0.0000360200000000, 0.0001911000000000, -0.0001276900000000 ] - [ -0.0000493500000000, 0.0000834600000000, 0.0003305800000000 ] - [ -0.0003657800000000, 0.0007621400000000, -0.0004305200000000 ] - [ -0.0003057600000000, -0.0002771600000000, 0.0001489700000000 ] - [ 0.0001546000000000, 0.0002978500000000, 0.0002827100000000 ] - [ 0.0002622700000000, -0.0005841900000000, -0.0003654900000000 ] - [ -0.0001304900000000, -0.0003263900000000, 0.0005882800000000 ] - [ -0.0000128500000000, -0.0000292500000000, -0.0002941800000000 ] - [ -0.0010777100000000, 0.0000522100000000, -0.0001581700000000 ] - [ 0.0000248500000000, -0.0001798300000000, 0.0000912500000000 ] - [ -0.0001952700000000, -0.0000819200000000, 0.0001641000000000 ] - [ 0.0001510300000000, -0.0000802300000000, -0.0000372900000000 ] - [ -0.0000888400000000, -0.0001083500000000, -0.0001959900000000 ] - [ -0.0017254900000000, -0.0001259500000000, 0.0008077100000000 ] - [ -0.0004373700000000, -0.0007613300000000, -0.0004814200000000 ] - [ -0.0004275700000000, -0.0000529900000000, -0.0000973000000000 ] - [ -0.0003561400000000, -0.0026726600000000, -0.0003246200000000 ] - [ -0.0030227400000000, 0.0028750400000000, 0.0014776200000000 ] - [ -0.0006301300000000, -0.0008822100000000, 0.0000089100000000 ] - [ -0.0002456700000000, 0.0014723400000000, -0.0002300900000000 ] - [ -0.0033303400000000, -0.0030527800000000, -0.0002940900000000 ] - [ 0.0005313300000000, -0.0023417900000000, -0.0002822700000000 ] - [ 0.0073394500000000, -0.0019298600000000, -0.0047441600000000 ] - [ 0.0006045300000000, -0.0005580800000000, -0.0000179900000000 ] - [ -0.0005742200000000, -0.0015479100000000, -0.0001978400000000 ] - [ 0.0012844300000000, 0.0005919800000000, -0.0002098800000000 ] - [ -0.0000541700000000, -0.0006143100000000, -0.0000369200000000 ] - [ 0.0037338200000000, -0.0055513200000000, -0.0008937100000000 ] - [ 0.0006297300000000, 0.0002836600000000, -0.0002272600000000 ] - [ 0.0004446200000000, -0.0017911100000000, -0.0002298400000000 ] - [ -0.0014767600000000, 0.0020832600000000, -0.0002498500000000 ] - [ 0.0000992800000000, -0.0009662900000000, -0.0000141900000000 ] - [ -0.0011421700000000, 0.0024577800000000, 0.0006709400000000 ] - [ -0.0074938500000000, 0.0037696900000000, 0.0139737800000000 ] - [ 0.0008754000000000, 0.0007677200000000, 0.0002254700000000 ] - [ 0.0004209400000000, 0.0010470200000000, 0.0002256800000000 ] - [ -0.0002184500000000, 0.0012899700000000, 0.0008761800000000 ] - [ 0.2084686100000000, -0.3602369800000000, -0.0035030200000000 ] - [ 0.0007720900000000, 0.0008386700000000, -0.0000741000000000 ] - [ 0.0003438400000000, 0.0006366200000000, 0.0009934000000000 ] - [ 0.0004701700000000, 0.0004290000000000, -0.0003069000000000 ] - [ 0.0020651600000000, 0.0044466300000000, 0.0002468400000000 ] - [ 0.0005247900000000, 0.0006322400000000, -0.0000742700000000 ] - [ 0.0000791000000000, 0.0004279400000000, -0.0000033900000000 ] - [ 0.0017774000000000, -0.0008645100000000, 0.0009695600000000 ] - [ 0.0004279800000000, 0.0001586900000000, -0.0003531500000000 ] - [ 0.0009656100000000, 0.0001566400000000, 0.0001951400000000 ] - [ 0.0009852100000000, -0.0015590000000000, 0.0001375200000000 ] - [ -0.0006221700000000, -0.0024025100000000, 0.0011460900000000 ] - [ 0.0001238000000000, 0.0004414700000000, -0.0002373800000000 ] - [ 0.0002973700000000, 0.0004988900000000, -0.0003091900000000 ] - [ 0.0005719700000000, 0.0002332600000000, 0.0008678800000000 ] - [ 0.0008464300000000, 0.0006514000000000, -0.0004650100000000 ] - [ -0.0001896400000000, -0.0007547700000000, 0.0000635800000000 ] - [ -0.0000102400000000, 0.0009353000000000, -0.0000919100000000 ] - [ 0.0002608900000000, 0.0002960900000000, 0.0002377200000000 ] - [ 0.0000898400000000, 0.0004674400000000, -0.0000130100000000 ] - [ -0.0003145200000000, 0.0005858700000000, -0.0001074200000000 ] - [ 0.0019338400000000, 0.0031777700000000, 0.0028968600000000 ] - [ -0.0002257900000000, 0.0005720500000000, -0.0002566600000000 ] - [ -0.0002203400000000, 0.0007982600000000, 0.0009873300000000 ] - [ -0.0004570900000000, 0.0005017500000000, -0.0001454700000000 ] - [ 0.0005555900000000, 0.0008384900000000, -0.0000036800000000 ] - [ -0.0007017500000000, -0.0027142700000000, 0.0039673700000000 ] - [ -0.0115587300000000, 0.0129237800000000, -0.0083117900000000 ] - [ -0.0008490800000000, 0.0007867700000000, 0.0002086800000000 ] - [ -0.0002399800000000, 0.0017556600000000, 0.0003354600000000 ] - [ -0.0006806600000000, 0.0001208700000000, 0.0015317700000000 ] - [ -0.0002604200000000, 0.0005120900000000, 0.0002940100000000 ] - [ 0.0000674800000000, 0.0013268100000000, -0.0000539100000000 ] - [ -0.0006419200000000, 0.0004890800000000, 0.0001366000000000 ] - [ -0.0008489000000000, 0.0008731400000000, -0.0005703800000000 ] - [ -0.0002644500000000, 0.0007915300000000, 0.0008174300000000 ] - [ -0.0005331200000000, 0.0005256800000000, -0.0004104100000000 ] - [ 0.0002613500000000, -0.0011329400000000, -0.0002520900000000 ] - [ -0.0000270800000000, 0.0006269000000000, 0.0008329800000000 ] - [ -0.0007704200000000, 0.0005183200000000, -0.0000062500000000 ] - [ -0.0008423600000000, 0.0000862300000000, 0.0001865500000000 ] - [ -0.0000921600000000, -0.0004873700000000, -0.0000223800000000 ] - [ -0.0005433300000000, -0.0000722700000000, 0.0000924600000000 ] - [ -0.0000685800000000, -0.0002145500000000, 0.0002362100000000 ] - [ 0.0001679600000000, -0.0011982400000000, -0.0000942500000000 ] - [ 0.0008102100000000, 0.0005662300000000, 0.0001879100000000 ] - [ -0.0006675100000000, -0.0003511500000000, -0.0004793800000000 ] - [ -0.0003666100000000, 0.0000494300000000, 0.0009145900000000 ] - [ -0.0003456500000000, -0.0007735200000000, -0.0003717300000000 ] - [ 0.0002487700000000, 0.0001091600000000, -0.0001692400000000 ] - [ 0.0003055400000000, 0.0004745900000000, 0.0009771200000000 ] - [ 0.0003107200000000, 0.0002789500000000, -0.0002958500000000 ] - [ -0.0010377000000000, 0.0001602100000000, 0.0001789800000000 ] - [ 0.0001336100000000, 0.0002074800000000, -0.0001312300000000 ] - [ -0.0000591100000000, 0.0003132400000000, 0.0000660600000000 ] - [ -0.0010830700000000, -0.0005982000000000, 0.0002427000000000 ] - [ -0.0007317100000000, -0.0000587700000000, -0.0000772900000000 ] - [ 0.0005680100000000, 0.0001088500000000, 0.0001799600000000 ] - [ -0.0013392100000000, -0.0011414800000000, -0.0005907800000000 ] - [ -0.0002177500000000, -0.0014542300000000, 0.0011575500000000 ] - [ -0.0008152200000000, 0.0004407200000000, -0.0001657100000000 ] - [ 0.0002498200000000, 0.0005568900000000, -0.0003762800000000 ] - [ -0.0001487200000000, 0.0013454800000000, 0.0008328800000000 ] - [ 0.0005871500000000, 0.0009799900000000, -0.0005911400000000 ] - [ -0.0044653000000000, -0.0000766700000000, -0.0003531900000000 ] - [ -0.0001966100000000, 0.0013325200000000, -0.0000748600000000 ] - [ 0.0001364900000000, 0.0006176500000000, 0.0002974100000000 ] - [ -0.0001064800000000, 0.0002711400000000, 0.0000657100000000 ] - [ -0.0003286400000000, 0.0003229500000000, -0.0000929000000000 ] - [ 0.0006252600000000, -0.0001674000000000, 0.0001980000000000 ] - [ -0.0005266400000000, 0.0001565400000000, -0.0003504500000000 ] - [ -0.0004057000000000, 0.0002086200000000, 0.0009670300000000 ] - [ -0.0004630300000000, 0.0003775400000000, -0.0001757400000000 ] - [ 0.0004049000000000, 0.0001097800000000, -0.0002795800000000 ] - [ 0.0002264200000000, -0.0011620100000000, 0.0007611900000000 ] - [ 0.0008650400000000, -0.0009753400000000, -0.0005153900000000 ] - [ -0.0008255700000000, 0.0005449500000000, 0.0002044800000000 ] - [ 0.0002067800000000, -0.0006013800000000, -0.0000638400000000 ] - [ 0.0004024900000000, -0.0004771400000000, 0.0001892600000000 ] - [ -0.0001523500000000, 0.0003961600000000, 0.0002507200000000 ] - [ 0.0001270200000000, 0.0009517200000000, -0.0001130500000000 ] - [ 0.0014790400000000, -0.0003529300000000, 0.0002933900000000 ] - [ -0.0006484100000000, 0.0007792400000000, -0.0004782200000000 ] - [ -0.0002948600000000, 0.0007035800000000, 0.0008419400000000 ] - [ -0.0000565000000000, 0.0005242100000000, -0.0002753300000000 ] - [ 0.0042843400000000, -0.0020713800000000, -0.0001170200000000 ] - [ 0.0005443300000000, 0.0008086500000000, 0.0008344200000000 ] - [ 0.0020644700000000, 0.0008960300000000, -0.0007600600000000 ] - [ -0.0006992100000000, 0.0001732300000000, 0.0001738300000000 ] - [ 0.0012768900000000, 0.0000471400000000, -0.0010087900000000 ] - [ 0.0011932900000000, 0.0006147400000000, 0.0000794800000000 ]- atom: 126 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009939100000000, 0.0015911400000000, -0.0007873200000000 ] - [ -0.0003371000000000, -0.0016136300000000, -0.0004586200000000 ] - [ -0.0003742000000000, 0.0015923300000000, -0.0006131200000000 ] - [ 0.0000140900000000, 0.0008385200000000, -0.0004619600000000 ] - [ -0.0007220600000000, 0.0004119800000000, -0.0005608700000000 ] - [ 0.0009902700000000, -0.0108559100000000, -0.0006686500000000 ] - [ 0.0002932300000000, 0.0004470700000000, -0.0003449700000000 ] - [ 0.0000336900000000, 0.0011144500000000, -0.0004480500000000 ] - [ 0.0004000100000000, 0.0000723000000000, -0.0000865800000000 ] - [ 0.0004057200000000, 0.0012002200000000, -0.0007881500000000 ] - [ 0.0720236800000000, -0.0911039100000000, -0.1157111600000000 ] - [ 0.0000115400000000, 0.0003352000000000, -0.0000500900000000 ] - [ -0.0001477300000000, 0.0001281400000000, -0.0000306100000000 ] - [ 0.0001911000000000, 0.0001129700000000, 0.0001543500000000 ] - [ 0.0000137100000000, 0.0004550600000000, 0.0001292500000000 ] - [ 0.0002562600000000, 0.0023344600000000, 0.0004981600000000 ] - [ 0.0000199700000000, 0.0000702800000000, -0.0002385100000000 ] - [ 0.0002447000000000, 0.0004535400000000, 0.0007542700000000 ] - [ -0.0002718100000000, 0.0006347700000000, -0.0003996900000000 ] - [ 0.0013422800000000, 0.0001614700000000, 0.0018952100000000 ] - [ 0.0003145700000000, 0.0003122500000000, 0.0001577000000000 ] - [ 0.0009201700000000, -0.0017715200000000, -0.0007098600000000 ] - [ 0.0002831700000000, 0.0000910900000000, 0.0002044600000000 ] - [ 0.0000719700000000, -0.0009548500000000, 0.0003913100000000 ] - [ -0.0001068000000000, 0.0001078000000000, -0.0000355000000000 ] - [ 0.0004611400000000, 0.0005369700000000, 0.0003816900000000 ] - [ -0.0000250800000000, -0.0008005100000000, -0.0000682100000000 ] - [ 0.0011854900000000, -0.0001290000000000, -0.0002208500000000 ] - [ 0.0000539100000000, 0.0004134600000000, -0.0007087700000000 ] - [ -0.0000815400000000, 0.0000915400000000, 0.0001607800000000 ] - [ -0.0001129500000000, -0.0001583800000000, -0.0001045700000000 ] - [ -0.0003001900000000, 0.0000835500000000, 0.0000483300000000 ] - [ 0.0008719800000000, 0.0009170500000000, -0.0004934900000000 ] - [ 0.0003541600000000, 0.0007027800000000, -0.0004513100000000 ] - [ -0.0000916200000000, 0.0003903000000000, 0.0006050000000000 ] - [ 0.0000195500000000, 0.0001581700000000, -0.0001626400000000 ] - [ -0.0006925800000000, 0.0008210900000000, 0.0003858800000000 ] - [ 0.1333357000000000, -0.2587957900000000, 0.1357670400000000 ] - [ -0.0000887700000000, 0.0002599500000000, 0.0000913900000000 ] - [ 0.0002434800000000, 0.0001251200000000, -0.0000511800000000 ] - [ 0.0005460900000000, -0.0017094500000000, -0.0026275200000000 ] - [ 0.0002149700000000, 0.0006085900000000, 0.0008610900000000 ] - [ -0.0013414100000000, 0.0001022200000000, 0.0012375800000000 ] - [ -0.0004193100000000, 0.0000528300000000, -0.0000933500000000 ] - [ -0.0001391600000000, 0.0004889800000000, 0.0005242000000000 ] - [ 0.0000916600000000, -0.0000073900000000, 0.0000076200000000 ] - [ 0.0000513100000000, 0.0001717400000000, 0.0001288300000000 ] - [ -0.0000322200000000, 0.0005478100000000, -0.0009072200000000 ] - [ -0.0012325300000000, -0.0000492700000000, -0.0000514200000000 ] - [ 0.0002033900000000, 0.0004436500000000, 0.0002990000000000 ] - [ -0.0004128000000000, 0.0005653200000000, 0.0003877700000000 ] - [ 0.0001902800000000, 0.0001678900000000, -0.0000342500000000 ] - [ -0.0000712400000000, 0.0004361700000000, -0.0007414300000000 ] - [ -0.0000259000000000, -0.0004691900000000, 0.0006364600000000 ] - [ -0.0003045300000000, -0.0002404800000000, -0.0001570500000000 ] - [ -0.0003162800000000, 0.0002737000000000, 0.0001448400000000 ] - [ 0.0003836400000000, -0.0000286100000000, -0.0000289400000000 ] - [ 0.0002066400000000, 0.0003144100000000, -0.0001952800000000 ] - [ 0.0001142900000000, -0.0002342600000000, 0.0000374800000000 ] - [ -0.0000104600000000, -0.0002316000000000, -0.0005568500000000 ] - [ -0.0002741600000000, 0.0000443900000000, -0.0000578900000000 ] - [ 0.0001985400000000, 0.0000446300000000, 0.0001717100000000 ] - [ -0.0003278500000000, -0.0002284700000000, 0.0002782600000000 ] - [ 0.0001240200000000, -0.0000891700000000, -0.0000427300000000 ] - [ 0.0000061800000000, 0.0000078400000000, -0.0003040500000000 ] - [ -0.0000262900000000, 0.0002327800000000, 0.0004501200000000 ] - [ -0.0002739000000000, 0.0005802500000000, -0.0003617700000000 ] - [ -0.0004865000000000, -0.0002223400000000, -0.0000090900000000 ] - [ 0.0002406200000000, 0.0003040500000000, 0.0002225000000000 ] - [ 0.0001987700000000, -0.0010138100000000, -0.0005037100000000 ] - [ -0.0002737200000000, -0.0001074700000000, 0.0004891200000000 ] - [ -0.0001746700000000, -0.0005360500000000, 0.0000108100000000 ] - [ -0.0004239300000000, 0.0002165300000000, -0.0000488900000000 ] - [ 0.0002805900000000, 0.0005422000000000, 0.0003462900000000 ] - [ -0.0005712000000000, -0.0014949700000000, -0.0001125900000000 ] - [ -0.0015489000000000, -0.0006584500000000, 0.0003415700000000 ] - [ -0.0000578400000000, 0.0006779400000000, -0.0010717200000000 ] - [ -0.0001389100000000, 0.0001701600000000, 0.0000650200000000 ] - [ -0.0000698900000000, 0.0000808000000000, 0.0000922000000000 ] - [ -0.0014942700000000, 0.0013587000000000, -0.0004544400000000 ] - [ 0.0001625900000000, -0.0002924400000000, 0.0002598400000000 ] - [ 0.0001850700000000, 0.0005163000000000, -0.0002937200000000 ] - [ -0.0000773600000000, 0.0003259200000000, 0.0005525500000000 ] - [ -0.0000476700000000, -0.0000762200000000, -0.0004058500000000 ] - [ -0.0002706100000000, -0.0001450000000000, -0.0000239600000000 ] - [ 0.0004214300000000, -0.0007220000000000, 0.0004303300000000 ] - [ -0.0002766200000000, -0.0000772000000000, 0.0002170500000000 ] - [ 0.0001957900000000, 0.0000417600000000, -0.0000387600000000 ] - [ 0.0000801900000000, -0.0006884300000000, -0.0010244200000000 ] - [ 0.0000246200000000, 0.0001451100000000, 0.0003626900000000 ] - [ -0.0000118800000000, -0.0001228000000000, 0.0000409100000000 ] - [ -0.0003639000000000, -0.0000104400000000, -0.0000197600000000 ] - [ 0.0005158700000000, -0.0000113900000000, -0.0001544300000000 ] - [ 0.0001157400000000, -0.0000565200000000, -0.0000250700000000 ] - [ 0.0001564900000000, 0.0000987600000000, 0.0001039200000000 ] - [ -0.0000313100000000, 0.0005252600000000, -0.0008562200000000 ] - [ 0.0006070800000000, 0.0000270400000000, 0.0000685600000000 ] - [ 0.0005782600000000, 0.0006654800000000, 0.0004546000000000 ] - [ -0.0004067100000000, 0.0005666000000000, 0.0003815000000000 ] - [ 0.0003270200000000, 0.0001605900000000, -0.0000531500000000 ] - [ 0.0001336200000000, 0.0006049700000000, -0.0009541900000000 ] - [ 0.0017209300000000, -0.0001114500000000, -0.0001146100000000 ] - [ 0.0000603100000000, 0.0001228500000000, 0.0000917300000000 ] - [ -0.0002419900000000, 0.0003413500000000, 0.0002269000000000 ] - [ -0.0004868500000000, 0.0013903200000000, 0.0000575600000000 ] - [ 0.0038852900000000, -0.0041488600000000, -0.0017539700000000 ] - [ -0.0002147800000000, 0.0021709700000000, -0.0002763900000000 ] - [ 0.0010894500000000, -0.0001854700000000, -0.0000378300000000 ] - [ 0.0024875400000000, 0.0017771400000000, 0.0000384500000000 ] - [ 0.0003117000000000, 0.0010565200000000, 0.0000144400000000 ] - [ -0.0081432000000000, 0.0032115700000000, 0.0044011000000000 ] - [ 0.0002409300000000, 0.0018466700000000, -0.0002504700000000 ] - [ -0.0002716800000000, 0.0002620900000000, -0.0000699600000000 ] - [ -0.0004454000000000, -0.0018802700000000, -0.0000606100000000 ] - [ -0.0007922300000000, 0.0019058600000000, -0.0002311600000000 ] - [ -0.0029048800000000, 0.0069394600000000, 0.0005780800000000 ] - [ -0.0014733200000000, -0.0015705400000000, -0.0000409600000000 ] - [ 0.0004021300000000, 0.0005065600000000, -0.0000384300000000 ] - [ 0.0006363400000000, -0.0008051500000000, -0.0000174000000000 ] - [ 0.0007461000000000, 0.0022588100000000, -0.0002546400000000 ] - [ 0.0008982100000000, -0.0025157700000000, -0.0003498900000000 ] - [ 0.0073371200000000, -0.0046129100000000, -0.0142539500000000 ] - [ 0.0007353700000000, -0.0002348400000000, 0.0001596700000000 ] - [ -0.0015618800000000, -0.0015214400000000, -0.0010486100000000 ] - [ -0.0003858000000000, -0.0014874400000000, 0.0009341500000000 ] - [ -0.2178381100000000, 0.3737226000000000, -0.0096396600000000 ] - [ -0.0000384000000000, -0.0009269200000000, -0.0004238500000000 ] - [ 0.0002564300000000, -0.0008323300000000, 0.0008206700000000 ] - [ 0.0006537200000000, -0.0008859300000000, -0.0005099700000000 ] - [ -0.0036401900000000, -0.0038402200000000, 0.0001403100000000 ] - [ -0.0002966200000000, -0.0013032800000000, -0.0001120300000000 ] - [ 0.0001347300000000, -0.0005081800000000, 0.0002954300000000 ] - [ -0.0019888400000000, 0.0009444700000000, -0.0006694300000000 ] - [ -0.0006585200000000, 0.0005112900000000, 0.0001653100000000 ] - [ 0.0006447400000000, -0.0006905500000000, 0.0001897200000000 ] - [ -0.0021108500000000, 0.0020146700000000, -0.0009511000000000 ] - [ 0.0000187600000000, 0.0025995500000000, 0.0006691000000000 ] - [ -0.0008599800000000, -0.0003538900000000, -0.0002636900000000 ] - [ 0.0004395200000000, -0.0004133400000000, -0.0001918800000000 ] - [ 0.0000282900000000, -0.0000394400000000, 0.0009457100000000 ] - [ 0.0002809100000000, -0.0001947700000000, -0.0003535300000000 ] - [ -0.0014196900000000, 0.0002210100000000, 0.0003211100000000 ] - [ 0.0002386800000000, -0.0002632800000000, -0.0000930800000000 ] - [ -0.0000468800000000, -0.0002180800000000, 0.0000538900000000 ] - [ -0.0003036300000000, -0.0005472800000000, 0.0003055600000000 ] - [ 0.0000872400000000, -0.0012614900000000, -0.0000784000000000 ] - [ -0.0003397300000000, -0.0027192900000000, -0.0025768200000000 ] - [ -0.0009037800000000, -0.0010311100000000, -0.0005630200000000 ] - [ -0.0003803800000000, -0.0009967600000000, 0.0008265500000000 ] - [ -0.0002802600000000, -0.0005897200000000, -0.0003570800000000 ] - [ 0.0001847700000000, -0.0009287000000000, -0.0004957300000000 ] - [ 0.0013156800000000, 0.0025398000000000, -0.0021890700000000 ] - [ 0.0126472700000000, -0.0133312100000000, 0.0075456300000000 ] - [ -0.0007617700000000, -0.0002541300000000, 0.0001773500000000 ] - [ 0.0004658000000000, -0.0024207100000000, -0.0005121100000000 ] - [ 0.0009246500000000, -0.0002230500000000, -0.0012297600000000 ] - [ 0.0000470000000000, -0.0004339000000000, -0.0000019700000000 ] - [ -0.0002958600000000, -0.0006573300000000, -0.0001304900000000 ] - [ 0.0022519700000000, -0.0010256700000000, 0.0002463700000000 ] - [ -0.0002753500000000, -0.0004180300000000, -0.0002460900000000 ] - [ -0.0003369000000000, -0.0005978200000000, 0.0009965100000000 ] - [ -0.0002037500000000, -0.0004371400000000, -0.0000879000000000 ] - [ 0.0004771600000000, 0.0012216100000000, -0.0002509600000000 ] - [ 0.0006291100000000, -0.0004327600000000, 0.0009803200000000 ] - [ 0.0019007700000000, -0.0000595300000000, -0.0008131100000000 ] - [ -0.0007691200000000, -0.0006193100000000, 0.0001992000000000 ] - [ 0.0003187500000000, 0.0011643600000000, -0.0001630200000000 ] - [ 0.0007574600000000, 0.0001505100000000, 0.0002000100000000 ] - [ -0.0001440800000000, 0.0001360800000000, 0.0000567900000000 ] - [ -0.0003937800000000, 0.0005239600000000, -0.0000912300000000 ] - [ 0.0008012600000000, -0.0000327000000000, 0.0001970300000000 ] - [ -0.0004590700000000, -0.0001067800000000, -0.0003392500000000 ] - [ -0.0002328000000000, -0.0002437100000000, 0.0008996200000000 ] - [ -0.0003916100000000, 0.0006875500000000, -0.0001311500000000 ] - [ 0.0004886800000000, -0.0001965700000000, -0.0003343100000000 ] - [ 0.0002964000000000, -0.0006702700000000, 0.0008364900000000 ] - [ 0.0008164000000000, -0.0007362100000000, -0.0005225000000000 ] - [ -0.0005710000000000, 0.0003743100000000, 0.0002054100000000 ] - [ 0.0000951100000000, -0.0008820100000000, -0.0000525200000000 ] - [ 0.0002737400000000, -0.0003925700000000, 0.0002263700000000 ] - [ 0.0008702700000000, 0.0006773300000000, 0.0000501500000000 ] - [ 0.0005068600000000, 0.0007312600000000, -0.0001070400000000 ] - [ 0.0010426800000000, -0.0006453700000000, 0.0002044200000000 ] - [ 0.0002204300000000, 0.0015986900000000, -0.0002242100000000 ] - [ -0.0003774500000000, 0.0016516300000000, 0.0006548000000000 ] - [ 0.0000785900000000, -0.0003545000000000, -0.0003375000000000 ] - [ 0.0004877000000000, -0.0004716800000000, -0.0001248900000000 ] - [ 0.0007503100000000, -0.0011603700000000, 0.0009841400000000 ] - [ 0.0005386000000000, -0.0005260200000000, -0.0002261400000000 ] - [ 0.0028330400000000, -0.0004479200000000, 0.0007124100000000 ] - [ 0.0004244800000000, -0.0006625700000000, -0.0001106300000000 ] - [ 0.0000763300000000, -0.0005412400000000, -0.0000069300000000 ] - [ -0.0001079900000000, -0.0003497900000000, 0.0002283000000000 ] - [ 0.0001008500000000, -0.0009944800000000, -0.0000933000000000 ] - [ 0.0009846300000000, 0.0007026400000000, 0.0001869800000000 ] - [ -0.0006016500000000, -0.0006142600000000, -0.0004687900000000 ] - [ -0.0001957500000000, -0.0004040900000000, 0.0008469700000000 ] - [ -0.0002738400000000, -0.0004649800000000, -0.0003248600000000 ] - [ 0.0003311600000000, -0.0001963400000000, -0.0002203600000000 ] - [ 0.0003753100000000, 0.0009714300000000, 0.0010537400000000 ] - [ 0.0002541600000000, 0.0005235600000000, -0.0002996200000000 ] - [ -0.0007857100000000, -0.0000117700000000, 0.0001810700000000 ] - [ 0.0000225100000000, -0.0000651300000000, -0.0001216600000000 ] - [ -0.0001899600000000, 0.0003999900000000, 0.0001025300000000 ] - [ -0.0000622400000000, -0.0003182100000000, 0.0000422000000000 ] - [ -0.0003565800000000, -0.0002834100000000, -0.0000726000000000 ] - [ 0.0001265400000000, -0.0001796700000000, 0.0000900700000000 ] - [ -0.0004780800000000, -0.0003240300000000, -0.0003392600000000 ] - [ -0.0003054300000000, -0.0005111800000000, 0.0009724600000000 ] - [ -0.0006832100000000, -0.0004391000000000, -0.0002252400000000 ] - [ -0.0035382200000000, 0.0021988200000000, -0.0003880000000000 ] - [ 0.0000555300000000, -0.0006179400000000, 0.0009791000000000 ] - [ -0.0009416400000000, -0.0004423900000000, -0.0000589200000000 ] - [ -0.0009122100000000, -0.0007078900000000, 0.0002112400000000 ] - [ -0.0010633700000000, 0.0006395200000000, 0.0008391500000000 ] - [ -0.0009879900000000, -0.0005418500000000, 0.0002164600000000 ]- atom: 126 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003728000000000, 0.0001599800000000, -0.0003230500000000 ] - [ 0.0000174200000000, 0.0001081500000000, -0.0005248400000000 ] - [ 0.0001336900000000, -0.0000052700000000, -0.0006096000000000 ] - [ -0.0000075800000000, -0.0001162400000000, -0.0004502300000000 ] - [ 0.0004534800000000, -0.0000277400000000, -0.0004654200000000 ] - [ 0.0046771800000000, 0.0049034600000000, 0.0066803600000000 ] - [ -0.0001403800000000, -0.0002250900000000, -0.0004698400000000 ] - [ -0.0000015800000000, -0.0002616600000000, -0.0004638900000000 ] - [ 0.0003007100000000, -0.0002166100000000, 0.0001185500000000 ] - [ 0.0000487800000000, 0.0000765200000000, 0.0000041000000000 ] - [ -0.1009382800000000, 0.0895267400000000, 0.2428086700000000 ] - [ -0.0000733000000000, -0.0005019000000000, -0.0010829700000000 ] - [ -0.0003065000000000, -0.0000764800000000, -0.0000557900000000 ] - [ 0.0003124300000000, -0.0003030000000000, 0.0002903300000000 ] - [ -0.0005747700000000, -0.0005495400000000, 0.0005223400000000 ] - [ -0.0003767700000000, 0.0002127200000000, 0.0004480200000000 ] - [ 0.0000178800000000, -0.0003008700000000, -0.0006245000000000 ] - [ -0.0001167200000000, 0.0000318300000000, 0.0002326700000000 ] - [ -0.0001852700000000, 0.0002733700000000, -0.0001654900000000 ] - [ -0.0007548400000000, -0.0005276400000000, 0.0001349400000000 ] - [ 0.0003144700000000, 0.0001268200000000, 0.0000747400000000 ] - [ -0.0004198900000000, -0.0002566000000000, -0.0002034200000000 ] - [ 0.0000116300000000, -0.0000586900000000, 0.0001836000000000 ] - [ 0.0004380900000000, 0.0003785300000000, -0.0003063200000000 ] - [ -0.0002725600000000, 0.0000484600000000, -0.0000464700000000 ] - [ 0.0002988100000000, 0.0002668800000000, 0.0002687100000000 ] - [ -0.0001474900000000, 0.0003019300000000, 0.0002276800000000 ] - [ 0.0001479000000000, 0.0000917200000000, 0.0000335200000000 ] - [ 0.0000329400000000, 0.0002790700000000, -0.0005987700000000 ] - [ -0.0000090800000000, -0.0001357700000000, 0.0003639100000000 ] - [ -0.0001815700000000, -0.0003025400000000, -0.0001752100000000 ] - [ -0.0003197200000000, 0.0001798200000000, 0.0000778200000000 ] - [ -0.0000847900000000, -0.0007109300000000, 0.0009201600000000 ] - [ 0.0001618800000000, 0.0002428500000000, -0.0001496600000000 ] - [ 0.0000390600000000, 0.0000533900000000, 0.0002876600000000 ] - [ 0.0000022000000000, -0.0003250100000000, -0.0006619800000000 ] - [ 0.0008472200000000, -0.0010878800000000, -0.0001942400000000 ] - [ 0.0488543300000000, -0.1000232400000000, 0.1008395100000000 ] - [ -0.0003079900000000, -0.0003091700000000, 0.0003037100000000 ] - [ 0.0002744700000000, -0.0000766400000000, -0.0000467300000000 ] - [ -0.0013740500000000, -0.0013141700000000, -0.0035211600000000 ] - [ 0.0001845900000000, 0.0000796300000000, 0.0005854600000000 ] - [ 0.0017680500000000, -0.0012860800000000, -0.0011153000000000 ] - [ -0.0003186000000000, -0.0001750900000000, 0.0000944000000000 ] - [ 0.0004950500000000, -0.0000411400000000, -0.0003969100000000 ] - [ 0.0002001400000000, -0.0003664600000000, -0.0002236100000000 ] - [ 0.0000128400000000, -0.0001247700000000, 0.0003744800000000 ] - [ -0.0000225900000000, 0.0002040700000000, -0.0005266500000000 ] - [ -0.0002885100000000, -0.0000338400000000, 0.0000024300000000 ] - [ 0.0002976500000000, 0.0002331300000000, 0.0002829500000000 ] - [ -0.0002893500000000, 0.0001965500000000, 0.0002580300000000 ] - [ 0.0002358800000000, 0.0000258300000000, -0.0000455400000000 ] - [ 0.0000049000000000, 0.0002433000000000, -0.0005722600000000 ] - [ 0.0000390400000000, -0.0001336600000000, 0.0003873900000000 ] - [ -0.0002075200000000, -0.0003439100000000, -0.0002121500000000 ] - [ -0.0003455700000000, 0.0001231700000000, 0.0000475500000000 ] - [ 0.0003388400000000, -0.0001465100000000, 0.0000655400000000 ] - [ 0.0002175200000000, 0.0003698900000000, -0.0002286300000000 ] - [ 0.0000036800000000, 0.0001679800000000, 0.0004009200000000 ] - [ -0.0000088600000000, -0.0002075500000000, -0.0005297900000000 ] - [ -0.0001939200000000, -0.0000505800000000, -0.0000364000000000 ] - [ 0.0003247200000000, -0.0002953500000000, 0.0002935400000000 ] - [ -0.0002552000000000, -0.0001834200000000, 0.0002482400000000 ] - [ 0.0003268100000000, -0.0000294400000000, -0.0000562800000000 ] - [ 0.0000292100000000, -0.0002978000000000, -0.0006304700000000 ] - [ 0.0000186300000000, 0.0001133400000000, 0.0003549100000000 ] - [ -0.0001649800000000, 0.0002651900000000, -0.0001591300000000 ] - [ -0.0003154600000000, -0.0000772100000000, 0.0000377700000000 ] - [ 0.0003741800000000, 0.0001032000000000, 0.0000049200000000 ] - [ 0.0000801500000000, 0.0000322800000000, 0.0000946600000000 ] - [ 0.0001026800000000, -0.0000266700000000, 0.0002912200000000 ] - [ 0.0001276400000000, 0.0007106100000000, -0.0010884200000000 ] - [ -0.0001642700000000, -0.0000336900000000, -0.0000583600000000 ] - [ 0.0003322900000000, 0.0001855400000000, 0.0002673400000000 ] - [ -0.0005023600000000, 0.0007864600000000, 0.0005640300000000 ] - [ 0.0002610500000000, -0.0000169900000000, 0.0002966100000000 ] - [ -0.0000063500000000, 0.0001413800000000, -0.0001902900000000 ] - [ 0.0000214200000000, -0.0001869200000000, 0.0004182600000000 ] - [ -0.0003064400000000, -0.0004761500000000, -0.0004123200000000 ] - [ -0.0005705300000000, 0.0009582500000000, 0.0007682100000000 ] - [ 0.0003089300000000, -0.0001698800000000, 0.0000892400000000 ] - [ 0.0001679200000000, 0.0002914400000000, -0.0001729700000000 ] - [ 0.0000262000000000, 0.0000793400000000, 0.0003131100000000 ] - [ -0.0000303600000000, -0.0002836200000000, -0.0006054100000000 ] - [ -0.0003733900000000, -0.0000392000000000, -0.0000685300000000 ] - [ 0.0002254400000000, -0.0001722600000000, 0.0002447600000000 ] - [ -0.0003339300000000, -0.0002984500000000, 0.0002942800000000 ] - [ 0.0002171800000000, -0.0000540600000000, -0.0000422700000000 ] - [ -0.0000363700000000, -0.0001833700000000, -0.0004688800000000 ] - [ -0.0000623300000000, 0.0000618500000000, 0.0002861400000000 ] - [ -0.0002755000000000, 0.0004078800000000, -0.0002596800000000 ] - [ -0.0003301700000000, -0.0001760900000000, 0.0000836400000000 ] - [ 0.0002704300000000, 0.0001495000000000, 0.0001243200000000 ] - [ 0.0002089900000000, -0.0003819700000000, -0.0002355300000000 ] - [ -0.0000278200000000, -0.0001778700000000, 0.0004184500000000 ] - [ -0.0000179500000000, 0.0001826100000000, -0.0005089800000000 ] - [ -0.0004612600000000, -0.0000219100000000, -0.0000395200000000 ] - [ 0.0002265600000000, 0.0001019900000000, 0.0002403700000000 ] - [ -0.0002700700000000, 0.0001618600000000, 0.0002450900000000 ] - [ 0.0002271200000000, 0.0000084100000000, -0.0000424500000000 ] - [ -0.0000136600000000, 0.0001187100000000, -0.0004981300000000 ] - [ 0.0005030600000000, 0.0001750900000000, 0.0006347500000000 ] - [ -0.0002688900000000, -0.0005252400000000, -0.0002930700000000 ] - [ -0.0003483200000000, 0.0001014300000000, 0.0000346000000000 ] - [ -0.0005178300000000, -0.0011731100000000, -0.0002137000000000 ] - [ 0.0014266300000000, 0.0029474500000000, -0.0031688100000000 ] - [ -0.0005278300000000, 0.0004839000000000, -0.0001188300000000 ] - [ 0.0006893400000000, 0.0009936700000000, -0.0000614700000000 ] - [ 0.0000731300000000, -0.0010154200000000, -0.0011789300000000 ] - [ 0.0004800500000000, -0.0008640600000000, -0.0001508200000000 ] - [ -0.0021795000000000, 0.0006898800000000, 0.0049209600000000 ] - [ 0.0003695300000000, 0.0004886200000000, -0.0001247000000000 ] - [ -0.0003607700000000, -0.0006777300000000, -0.0001401000000000 ] - [ 0.0006520300000000, -0.0001335700000000, 0.0001835500000000 ] - [ -0.0002353200000000, 0.0003396900000000, -0.0001046700000000 ] - [ 0.0017039100000000, -0.0076674800000000, 0.0028841200000000 ] - [ -0.0006833000000000, -0.0008457300000000, -0.0000484200000000 ] - [ 0.0003960300000000, -0.0009294500000000, -0.0001583800000000 ] - [ -0.0009680600000000, 0.0003523900000000, -0.0001666100000000 ] - [ 0.0004320500000000, 0.0002286400000000, -0.0000964600000000 ] - [ 0.0008821500000000, -0.0003332600000000, -0.0019441900000000 ] - [ -0.0134902200000000, 0.0160897600000000, 0.0196136300000000 ] - [ 0.0008624600000000, 0.0003962900000000, 0.0002026900000000 ] - [ 0.0012417100000000, 0.0012246800000000, 0.0004934400000000 ] - [ -0.0000928500000000, 0.0002963900000000, 0.0010678800000000 ] - [ 0.0524483300000000, -0.0001221700000000, -0.3860898100000000 ] - [ 0.0006815100000000, 0.0002037700000000, -0.0003552400000000 ] - [ 0.0003168500000000, 0.0000237500000000, 0.0009143300000000 ] - [ 0.0006139900000000, -0.0001230300000000, -0.0004114800000000 ] - [ -0.0002994200000000, -0.0000959900000000, -0.0004184500000000 ] - [ 0.0002369000000000, -0.0002421900000000, -0.0000571600000000 ] - [ 0.0001490100000000, 0.0000235400000000, 0.0001256700000000 ] - [ 0.0002512700000000, 0.0003663900000000, 0.0016259500000000 ] - [ -0.0004396600000000, -0.0002695700000000, 0.0001329300000000 ] - [ 0.0008647800000000, -0.0002532700000000, 0.0001896900000000 ] - [ -0.0007136900000000, -0.0004191800000000, -0.0001356000000000 ] - [ -0.0003110600000000, 0.0001046900000000, 0.0005505600000000 ] - [ -0.0003313700000000, -0.0000412400000000, -0.0001400700000000 ] - [ 0.0003684000000000, 0.0001022400000000, -0.0002478400000000 ] - [ 0.0003072300000000, 0.0000078900000000, 0.0008828000000000 ] - [ 0.0005707000000000, 0.0002022900000000, -0.0004004300000000 ] - [ -0.0007548600000000, -0.0003530700000000, 0.0001553900000000 ] - [ 0.0000965400000000, 0.0003875600000000, -0.0000998400000000 ] - [ 0.0001093400000000, 0.0000337800000000, 0.0001424800000000 ] - [ -0.0001021900000000, 0.0000761700000000, 0.0001159400000000 ] - [ -0.0001761200000000, -0.0001296900000000, -0.0001006600000000 ] - [ 0.0011182400000000, 0.0034729100000000, 0.0015296000000000 ] - [ -0.0005458600000000, -0.0000636600000000, -0.0003784400000000 ] - [ -0.0003995500000000, 0.0001382100000000, 0.0009230100000000 ] - [ -0.0003843000000000, 0.0000611800000000, -0.0002138000000000 ] - [ 0.0001686800000000, 0.0001310200000000, -0.0003548100000000 ] - [ -0.0029148600000000, 0.0024781400000000, 0.0110855800000000 ] - [ 0.0077677200000000, -0.0092928400000000, 0.0020055900000000 ] - [ -0.0008517400000000, 0.0003368800000000, 0.0001992800000000 ] - [ 0.0001913600000000, -0.0010970800000000, -0.0008095900000000 ] - [ -0.0018336600000000, 0.0015799900000000, -0.0010774000000000 ] - [ -0.0001298500000000, 0.0000999100000000, 0.0001495600000000 ] - [ -0.0001081100000000, 0.0004115800000000, -0.0000924200000000 ] - [ 0.0009927500000000, -0.0002052700000000, 0.0004564700000000 ] - [ -0.0005893200000000, 0.0003050200000000, -0.0004209100000000 ] - [ -0.0002849800000000, 0.0002013200000000, 0.0008884700000000 ] - [ -0.0003877200000000, 0.0000687600000000, -0.0002671400000000 ] - [ 0.0002025600000000, 0.0000401600000000, -0.0001915100000000 ] - [ 0.0003145300000000, 0.0001325600000000, 0.0009148700000000 ] - [ 0.0008364800000000, 0.0001651800000000, -0.0005501800000000 ] - [ -0.0007964300000000, -0.0002148500000000, 0.0001920200000000 ] - [ 0.0001258400000000, 0.0004007000000000, -0.0001600100000000 ] - [ 0.0001739400000000, 0.0000773200000000, 0.0001222800000000 ] - [ -0.0002003300000000, -0.0001138800000000, 0.0001786300000000 ] - [ -0.0001161600000000, -0.0005011200000000, -0.0001248400000000 ] - [ 0.0007739000000000, 0.0002942200000000, 0.0001866100000000 ] - [ -0.0007777200000000, -0.0003210400000000, -0.0004745500000000 ] - [ -0.0003681100000000, -0.0001435200000000, 0.0008893100000000 ] - [ -0.0003215200000000, -0.0001636900000000, -0.0002475200000000 ] - [ 0.0002747500000000, -0.0000713700000000, -0.0002204900000000 ] - [ 0.0002964600000000, 0.0000205200000000, 0.0009169000000000 ] - [ 0.0004537400000000, -0.0001239900000000, -0.0003675100000000 ] - [ -0.0009234800000000, 0.0001666000000000, 0.0002042600000000 ] - [ 0.0000555200000000, -0.0002444900000000, -0.0001249600000000 ] - [ 0.0000350600000000, 0.0000380300000000, 0.0001348400000000 ] - [ -0.0000073300000000, -0.0002713500000000, -0.0001741100000000 ] - [ -0.0004234500000000, 0.0000421400000000, -0.0001936400000000 ] - [ 0.0006878200000000, -0.0001520100000000, 0.0002067200000000 ] - [ -0.0010226000000000, -0.0004063400000000, -0.0005397800000000 ] - [ 0.0009181200000000, -0.0003669300000000, 0.0011899400000000 ] - [ -0.0005430700000000, 0.0000323800000000, -0.0001401800000000 ] - [ 0.0003325400000000, 0.0001723100000000, -0.0002761300000000 ] - [ 0.0001178900000000, 0.0011294300000000, 0.0006786500000000 ] - [ 0.0005840300000000, 0.0004831200000000, -0.0005558500000000 ] - [ -0.0004442200000000, -0.0016849700000000, 0.0018369700000000 ] - [ 0.0000396600000000, 0.0006212100000000, -0.0000803700000000 ] - [ 0.0001640100000000, 0.0002516600000000, 0.0002407500000000 ] - [ -0.0000749700000000, 0.0000093700000000, 0.0001252600000000 ] - [ -0.0001290700000000, -0.0002400500000000, -0.0000970800000000 ] - [ 0.0009124800000000, 0.0002758100000000, 0.0002121800000000 ] - [ -0.0005020000000000, -0.0001401900000000, -0.0003902200000000 ] - [ -0.0002470400000000, -0.0000416200000000, 0.0009035500000000 ] - [ -0.0003862100000000, 0.0000305100000000, -0.0002346000000000 ] - [ 0.0004453100000000, 0.0000399300000000, -0.0002221600000000 ] - [ 0.0003321600000000, -0.0003255600000000, 0.0008501300000000 ] - [ 0.0008133500000000, -0.0002578400000000, -0.0004849500000000 ] - [ -0.0007821000000000, 0.0003402800000000, 0.0001932400000000 ] - [ 0.0002481800000000, -0.0002213000000000, -0.0000734100000000 ] - [ 0.0002964000000000, -0.0000322200000000, 0.0001637300000000 ] - [ -0.0001205600000000, 0.0001287800000000, 0.0001733800000000 ] - [ -0.0000357800000000, 0.0005283500000000, -0.0001041800000000 ] - [ 0.0010151400000000, -0.0001813400000000, 0.0001962000000000 ] - [ -0.0005907200000000, 0.0003578100000000, -0.0004252200000000 ] - [ -0.0003124100000000, 0.0002337200000000, 0.0008885500000000 ] - [ -0.0002898900000000, 0.0002044500000000, -0.0002671600000000 ] - [ 0.0011764800000000, -0.0000935600000000, -0.0017124700000000 ] - [ 0.0003604700000000, 0.0003800100000000, 0.0009133400000000 ] - [ 0.0006206200000000, 0.0003396000000000, -0.0003897000000000 ] - [ -0.0007961600000000, -0.0001623300000000, 0.0001839000000000 ] - [ -0.0004386800000000, 0.0007201300000000, 0.0013968300000000 ] - [ 0.0004070800000000, 0.0005066800000000, -0.0000737100000000 ]- atom: 126 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003731400000000, -0.0001651400000000, -0.0005905900000000 ] - [ -0.0000138800000000, -0.0001026800000000, -0.0003876600000000 ] - [ -0.0001342200000000, -0.0000017400000000, -0.0003023000000000 ] - [ 0.0000077600000000, 0.0001139400000000, -0.0004625700000000 ] - [ -0.0004538600000000, 0.0000267600000000, -0.0004472500000000 ] - [ -0.0051472500000000, -0.0050549000000000, -0.0081231100000000 ] - [ 0.0001409300000000, 0.0002263400000000, -0.0004439100000000 ] - [ 0.0000010600000000, 0.0002599600000000, -0.0004483900000000 ] - [ 0.0003689600000000, -0.0000715700000000, 0.0000123200000000 ] - [ 0.0003305300000000, 0.0005657400000000, -0.0003940500000000 ] - [ 0.0921623300000000, -0.0809576500000000, -0.2302128800000000 ] - [ 0.0000294900000000, 0.0000080600000000, -0.0000613700000000 ] - [ -0.0001696900000000, -0.0000036100000000, -0.0000334300000000 ] - [ 0.0002888800000000, -0.0001795000000000, 0.0002550600000000 ] - [ -0.0000250700000000, 0.0000681500000000, 0.0000214000000000 ] - [ 0.0008533700000000, -0.0003070200000000, -0.0005434600000000 ] - [ 0.0000263100000000, -0.0001939700000000, -0.0005235100000000 ] - [ 0.0000902800000000, 0.0001956600000000, 0.0004595400000000 ] - [ -0.0001932600000000, 0.0003684800000000, -0.0002238600000000 ] - [ 0.0000837800000000, 0.0002391600000000, -0.0000005700000000 ] - [ 0.0003554700000000, 0.0001609400000000, 0.0000553800000000 ] - [ 0.0007939800000000, -0.0003769300000000, -0.0001757500000000 ] - [ 0.0000140300000000, -0.0001705900000000, 0.0005108500000000 ] - [ -0.0004795400000000, 0.0001214800000000, -0.0008504000000000 ] - [ -0.0002039100000000, 0.0000313200000000, -0.0000428500000000 ] - [ 0.0003016200000000, 0.0002138900000000, 0.0002759500000000 ] - [ -0.0004566000000000, 0.0001841300000000, 0.0003188800000000 ] - [ 0.0003214500000000, -0.0000109800000000, -0.0001211600000000 ] - [ 0.0000109600000000, 0.0002145200000000, -0.0005477900000000 ] - [ -0.0000171900000000, -0.0000924500000000, 0.0003291200000000 ] - [ -0.0001973600000000, -0.0003402900000000, -0.0002150600000000 ] - [ -0.0003500600000000, 0.0001083500000000, 0.0000529200000000 ] - [ 0.0007543500000000, 0.0004190200000000, -0.0007926100000000 ] - [ 0.0002164300000000, 0.0003990800000000, -0.0002396800000000 ] - [ -0.0000123800000000, 0.0001740100000000, 0.0004043900000000 ] - [ -0.0000466800000000, -0.0001699500000000, -0.0004858100000000 ] - [ -0.0013328800000000, 0.0010127200000000, 0.0001019700000000 ] - [ -0.0472467500000000, 0.0971464000000000, -0.1010217100000000 ] - [ -0.0002942000000000, -0.0001743100000000, 0.0002422900000000 ] - [ 0.0002011600000000, -0.0000034000000000, -0.0000425700000000 ] - [ 0.0014231100000000, 0.0008548300000000, 0.0023826300000000 ] - [ -0.0002133800000000, 0.0001463800000000, 0.0001039000000000 ] - [ -0.0021621100000000, 0.0019463800000000, 0.0007193800000000 ] - [ -0.0003508700000000, -0.0001132800000000, 0.0000364000000000 ] - [ 0.0001764800000000, 0.0003288100000000, 0.0005279700000000 ] - [ 0.0001788200000000, -0.0002765700000000, -0.0001668100000000 ] - [ 0.0000135100000000, -0.0001038500000000, 0.0003188600000000 ] - [ -0.0000215000000000, 0.0002896400000000, -0.0006196900000000 ] - [ -0.0001807500000000, 0.0001152000000000, -0.0000915900000000 ] - [ 0.0003040300000000, 0.0002482000000000, 0.0002621300000000 ] - [ -0.0003112500000000, 0.0002844600000000, 0.0002866600000000 ] - [ 0.0002406300000000, 0.0000538900000000, -0.0000437900000000 ] - [ 0.0000401100000000, 0.0002510600000000, -0.0005751300000000 ] - [ -0.0000649100000000, -0.0000930200000000, 0.0003045100000000 ] - [ -0.0001697400000000, -0.0002977600000000, -0.0001772300000000 ] - [ -0.0003239600000000, 0.0001648300000000, 0.0000829500000000 ] - [ 0.0003307500000000, -0.0001417300000000, 0.0000652100000000 ] - [ 0.0001611500000000, 0.0002725100000000, -0.0001610500000000 ] - [ 0.0000223500000000, 0.0000611500000000, 0.0002930900000000 ] - [ -0.0000352500000000, -0.0002866000000000, -0.0006174300000000 ] - [ -0.0002824700000000, -0.0000293800000000, -0.0000529300000000 ] - [ 0.0002765200000000, -0.0001868000000000, 0.0002516700000000 ] - [ -0.0003457900000000, -0.0002985300000000, 0.0002968400000000 ] - [ 0.0001494200000000, -0.0000503200000000, -0.0000330300000000 ] - [ 0.0000151200000000, -0.0001970000000000, -0.0005174800000000 ] - [ -0.0000451700000000, 0.0001143100000000, 0.0003373200000000 ] - [ -0.0002133400000000, 0.0003766200000000, -0.0002301900000000 ] - [ -0.0003534300000000, -0.0002112400000000, 0.0000935100000000 ] - [ 0.0002956100000000, 0.0001847400000000, 0.0001254900000000 ] - [ 0.0002988500000000, -0.0006755700000000, -0.0004877300000000 ] - [ -0.0000758300000000, -0.0002017600000000, 0.0004014600000000 ] - [ -0.0001717000000000, -0.0002182500000000, -0.0000546600000000 ] - [ -0.0003117200000000, 0.0001136100000000, -0.0000308100000000 ] - [ 0.0002685200000000, 0.0002959100000000, 0.0002775100000000 ] - [ -0.0000954400000000, -0.0002977100000000, -0.0000179900000000 ] - [ 0.0002195000000000, 0.0000992100000000, -0.0003928400000000 ] - [ 0.0000508600000000, 0.0003524600000000, -0.0009580500000000 ] - [ -0.0000477900000000, -0.0000410400000000, 0.0002744800000000 ] - [ -0.0000721600000000, -0.0001661600000000, 0.0000229500000000 ] - [ -0.0000860200000000, -0.0006903600000000, -0.0006409000000000 ] - [ 0.0003616600000000, -0.0001175800000000, 0.0000410900000000 ] - [ 0.0002108200000000, 0.0003503600000000, -0.0002164000000000 ] - [ 0.0000008900000000, 0.0001479100000000, 0.0003786100000000 ] - [ -0.0000135900000000, -0.0002111300000000, -0.0005427000000000 ] - [ -0.0000995200000000, -0.0000401300000000, -0.0000201000000000 ] - [ 0.0003767400000000, -0.0003091700000000, 0.0003005800000000 ] - [ -0.0002669300000000, -0.0001835900000000, 0.0002510300000000 ] - [ 0.0002595500000000, -0.0000258900000000, -0.0000470800000000 ] - [ 0.0000807600000000, -0.0003103900000000, -0.0006788500000000 ] - [ 0.0000365900000000, 0.0001670500000000, 0.0004077200000000 ] - [ -0.0001028100000000, 0.0002346700000000, -0.0001292600000000 ] - [ -0.0003393000000000, -0.0001121400000000, 0.0000472700000000 ] - [ 0.0003987700000000, 0.0001394700000000, 0.0000076400000000 ] - [ 0.0001698400000000, -0.0002607400000000, -0.0001547100000000 ] - [ 0.0000542400000000, -0.0000498900000000, 0.0002745000000000 ] - [ -0.0000261600000000, 0.0003112600000000, -0.0006376100000000 ] - [ -0.0000149900000000, 0.0001023300000000, -0.0000496200000000 ] - [ 0.0003745600000000, 0.0003804800000000, 0.0003049100000000 ] - [ -0.0003304500000000, 0.0003191700000000, 0.0002995700000000 ] - [ 0.0002491200000000, 0.0000715500000000, -0.0000469900000000 ] - [ 0.0000577200000000, 0.0003765800000000, -0.0006498900000000 ] - [ -0.0005354000000000, -0.0004077900000000, 0.0000695400000000 ] - [ -0.0001095700000000, -0.0001159100000000, -0.0000963400000000 ] - [ -0.0003214900000000, 0.0001865300000000, 0.0000957400000000 ] - [ -0.0003188300000000, -0.0001187100000000, -0.0000493600000000 ] - [ -0.0006150700000000, -0.0042587800000000, 0.0029057500000000 ] - [ -0.0003087200000000, 0.0008011000000000, -0.0001436400000000 ] - [ 0.0001438300000000, 0.0002958800000000, -0.0002025600000000 ] - [ -0.0009364500000000, -0.0002617300000000, 0.0009265000000000 ] - [ 0.0003557500000000, -0.0004305400000000, -0.0001125700000000 ] - [ 0.0014188600000000, 0.0005581000000000, -0.0052422700000000 ] - [ 0.0004689900000000, 0.0007976900000000, -0.0001374700000000 ] - [ -0.0004761800000000, -0.0006144600000000, -0.0001226200000000 ] - [ 0.0001867000000000, -0.0011550800000000, -0.0004505000000000 ] - [ -0.0006012700000000, 0.0009468200000000, -0.0001581400000000 ] - [ -0.0009072100000000, 0.0090826000000000, -0.0031730000000000 ] - [ -0.0001454100000000, -0.0004369100000000, -0.0002151200000000 ] - [ 0.0004410800000000, -0.0003617600000000, -0.0001051900000000 ] - [ 0.0001350900000000, 0.0009480500000000, -0.0000981400000000 ] - [ 0.0004027800000000, 0.0010585400000000, -0.0001661800000000 ] - [ -0.0011093600000000, 0.0002613600000000, 0.0022664800000000 ] - [ 0.0132728100000000, -0.0168085000000000, -0.0198383000000000 ] - [ 0.0007422400000000, 0.0001365100000000, 0.0001688500000000 ] - [ -0.0023772300000000, -0.0016947900000000, -0.0013114200000000 ] - [ -0.0005094500000000, -0.0004748000000000, 0.0007437400000000 ] - [ -0.0449297300000000, -0.0058124100000000, 0.3753544900000000 ] - [ 0.0000478400000000, -0.0002850100000000, -0.0001490400000000 ] - [ 0.0002841600000000, -0.0002003500000000, 0.0008999800000000 ] - [ 0.0005119600000000, -0.0003359900000000, -0.0004010800000000 ] - [ -0.0013027400000000, 0.0006282600000000, 0.0007926000000000 ] - [ -0.0000109300000000, -0.0004213400000000, -0.0001289300000000 ] - [ 0.0000671200000000, -0.0001018400000000, 0.0001703300000000 ] - [ -0.0004476400000000, -0.0002834200000000, -0.0013349500000000 ] - [ 0.0002213500000000, 0.0009445800000000, -0.0003185900000000 ] - [ 0.0007398200000000, -0.0002762900000000, 0.0001812600000000 ] - [ -0.0004031500000000, 0.0008749300000000, -0.0006707700000000 ] - [ -0.0002999700000000, 0.0000626400000000, 0.0012617500000000 ] - [ -0.0003990800000000, 0.0001249800000000, -0.0003665600000000 ] - [ 0.0003621100000000, -0.0000202500000000, -0.0002585800000000 ] - [ 0.0002943100000000, 0.0001723700000000, 0.0009300500000000 ] - [ 0.0005578500000000, 0.0002610100000000, -0.0004129000000000 ] - [ -0.0008455800000000, -0.0001817000000000, 0.0002150400000000 ] - [ 0.0001279200000000, 0.0002815200000000, -0.0000857900000000 ] - [ 0.0001075200000000, 0.0000466700000000, 0.0001538500000000 ] - [ -0.0001118800000000, -0.0001536100000000, 0.0001790600000000 ] - [ -0.0000499700000000, -0.0005325500000000, -0.0000852600000000 ] - [ 0.0004887600000000, -0.0029606300000000, -0.0011548900000000 ] - [ -0.0005788000000000, -0.0003939900000000, -0.0004345400000000 ] - [ -0.0001994500000000, -0.0003165900000000, 0.0008901900000000 ] - [ -0.0003459400000000, -0.0001422000000000, -0.0002929100000000 ] - [ 0.0005648200000000, -0.0002106800000000, -0.0001490300000000 ] - [ 0.0036047900000000, -0.0027346600000000, -0.0094706100000000 ] - [ -0.0067153100000000, 0.0089093400000000, -0.0029160300000000 ] - [ -0.0007513900000000, 0.0001961100000000, 0.0001721100000000 ] - [ 0.0000315600000000, 0.0004360900000000, 0.0006274100000000 ] - [ 0.0020606300000000, -0.0016680500000000, 0.0013913600000000 ] - [ -0.0000853100000000, -0.0000197400000000, 0.0001468600000000 ] - [ -0.0001144100000000, 0.0002615700000000, -0.0000930500000000 ] - [ 0.0006019400000000, -0.0003228800000000, -0.0000851400000000 ] - [ -0.0005394000000000, 0.0001587500000000, -0.0003927800000000 ] - [ -0.0003169900000000, -0.0000195100000000, 0.0009252400000000 ] - [ -0.0003443600000000, 0.0000158400000000, -0.0002392900000000 ] - [ 0.0005284200000000, 0.0000360300000000, -0.0003163400000000 ] - [ 0.0002858600000000, 0.0000477300000000, 0.0008973200000000 ] - [ 0.0002814300000000, 0.0002959100000000, -0.0002592200000000 ] - [ -0.0008087200000000, -0.0003153600000000, 0.0001795400000000 ] - [ 0.0000960500000000, 0.0002636200000000, -0.0000261200000000 ] - [ 0.0000366200000000, 0.0000006400000000, 0.0001723200000000 ] - [ -0.0000139800000000, 0.0000349800000000, 0.0001178800000000 ] - [ -0.0001068000000000, -0.0001689100000000, -0.0000615500000000 ] - [ 0.0008307000000000, 0.0002391200000000, 0.0001846800000000 ] - [ -0.0003500700000000, -0.0001405900000000, -0.0003390900000000 ] - [ -0.0002338300000000, -0.0000331100000000, 0.0009239200000000 ] - [ -0.0004096700000000, 0.0000808700000000, -0.0002606700000000 ] - [ 0.0004555500000000, -0.0000091000000000, -0.0002851100000000 ] - [ 0.0003046300000000, -0.0001977300000000, 0.0008964800000000 ] - [ 0.0006733100000000, -0.0003354400000000, -0.0004457200000000 ] - [ -0.0006803000000000, 0.0003656700000000, 0.0001668200000000 ] - [ 0.0001691500000000, -0.0004209400000000, -0.0000608600000000 ] - [ 0.0001801900000000, -0.0001157500000000, 0.0001612600000000 ] - [ -0.0002125000000000, 0.0003507100000000, 0.0004740600000000 ] - [ 0.0001997300000000, 0.0006260000000000, 0.0000083800000000 ] - [ 0.0009161300000000, -0.0003798900000000, 0.0001638900000000 ] - [ -0.0001015600000000, 0.0008661900000000, -0.0002736400000000 ] - [ -0.0015407200000000, 0.0005440800000000, 0.0006226500000000 ] - [ -0.0001872000000000, 0.0000518800000000, -0.0003663800000000 ] - [ 0.0003994600000000, -0.0000884600000000, -0.0002303400000000 ] - [ 0.0004820400000000, -0.0009511300000000, 0.0011377300000000 ] - [ 0.0005421000000000, -0.0000219400000000, -0.0002572800000000 ] - [ -0.0011787900000000, 0.0011713400000000, -0.0014880500000000 ] - [ 0.0001837400000000, 0.0000469300000000, -0.0001062400000000 ] - [ 0.0000508400000000, -0.0001720900000000, 0.0000554300000000 ] - [ -0.0001409600000000, -0.0000862800000000, 0.0001702300000000 ] - [ -0.0000967600000000, -0.0004223500000000, -0.0000886200000000 ] - [ 0.0006893300000000, 0.0002551000000000, 0.0001594000000000 ] - [ -0.0006246300000000, -0.0003185600000000, -0.0004217700000000 ] - [ -0.0003565500000000, -0.0001357100000000, 0.0009104900000000 ] - [ -0.0003444000000000, -0.0001113400000000, -0.0002701600000000 ] - [ 0.0002836100000000, -0.0001206200000000, -0.0002853400000000 ] - [ 0.0002684500000000, 0.0001454800000000, 0.0009635600000000 ] - [ 0.0003116100000000, -0.0002053000000000, -0.0003267500000000 ] - [ -0.0008229500000000, 0.0001921600000000, 0.0001790400000000 ] - [ -0.0000261400000000, -0.0004507300000000, -0.0001128000000000 ] - [ -0.0000823800000000, -0.0000480500000000, 0.0001307400000000 ] - [ -0.0000961000000000, -0.0000489000000000, 0.0001231600000000 ] - [ -0.0001877900000000, 0.0001406000000000, -0.0000823700000000 ] - [ 0.0005896700000000, -0.0003516800000000, 0.0001748400000000 ] - [ -0.0005383000000000, 0.0001048800000000, -0.0003885100000000 ] - [ -0.0002897800000000, -0.0000528400000000, 0.0009247300000000 ] - [ -0.0004414700000000, -0.0001221500000000, -0.0002396100000000 ] - [ -0.0004045700000000, 0.0001752200000000, 0.0012136400000000 ] - [ 0.0002407800000000, -0.0002009000000000, 0.0009001600000000 ] - [ 0.0005083100000000, 0.0001176000000000, -0.0004225100000000 ] - [ -0.0008079600000000, -0.0003686600000000, 0.0001865600000000 ] - [ 0.0006676000000000, -0.0000803800000000, -0.0015948500000000 ] - [ -0.0001891400000000, -0.0004311900000000, 0.0003653400000000 ]