# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d91ec98b-0950-4fc9-a021-7116ad67e768/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 Sr3Pr2(BO3)4 / Pna2_1 (33) / materials id 6803](https://mdr.nims.go.jp/datasets/20c1b235-56ff-4e4a-96f9-e28f36777961) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.246542660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.802132520000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.626498739999999 ] # c points: - symbol: B # 1 coordinates: [ 0.659436390000000, 0.561606900000000, 0.261488880000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.513207520000000, 0.870718910000000, 0.049002880000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.486792480000000, 0.129281090000000, 0.549002880000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.986792480000000, 0.370718910000000, 0.549002880000000 ] mass: 10.811000 - symbol: B # 5 coordinates: [ 0.013207520000000, 0.629281090000000, 0.049002880000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.228916650000000, 0.858063600000000, 0.552573890000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.771083350000000, 0.141936400000000, 0.052573890000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.271083350000000, 0.358063600000000, 0.052573890000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.728916650000000, 0.641936400000000, 0.552573890000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.171834150000000, 0.951607460000000, 0.845234900000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.828165850000000, 0.048392540000000, 0.345234900000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.328165850000000, 0.451607460000000, 0.345234900000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.671834150000000, 0.548392540000000, 0.845234900000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.159436390000000, 0.938393100000000, 0.261488880000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.840563610000000, 0.061606900000000, 0.761488880000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.340563610000000, 0.438393100000000, 0.761488880000000 ] mass: 10.811000 - symbol: O # 17 coordinates: [ 0.309404770000000, 0.992081410000000, 0.791837790000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.739866930000000, 0.218563700000000, 0.980582830000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.239866930000000, 0.281436300000000, 0.980582830000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.760133070000000, 0.718563700000000, 0.480582830000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.113737930000000, 0.762581290000000, 0.045722470000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.773595560000000, 0.717547650000000, 0.622017780000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.226404440000000, 0.282452350000000, 0.122017780000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.726404440000000, 0.217547650000000, 0.122017780000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.273595560000000, 0.782452350000000, 0.622017780000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.958768250000000, 0.554620110000000, 0.978336150000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.041231750000000, 0.445379890000000, 0.478336150000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.541231750000000, 0.054620110000000, 0.478336150000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.458768250000000, 0.945379890000000, 0.978336150000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.951224580000000, 0.572000010000000, 0.121927890000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.048775420000000, 0.427999990000000, 0.621927890000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.548775420000000, 0.072000010000000, 0.621927890000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.451224580000000, 0.927999990000000, 0.121927890000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.613737930000000, 0.737418710000000, 0.045722470000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.386262070000000, 0.262581290000000, 0.545722470000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.886262070000000, 0.237418710000000, 0.545722470000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.385003500000000, 0.561740610000000, 0.400813840000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.614996500000000, 0.438259390000000, 0.900813840000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.114996500000000, 0.061740610000000, 0.900813840000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.885003500000000, 0.938259390000000, 0.400813840000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.601568240000000, 0.692979430000000, 0.848063180000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.398431760000000, 0.307020570000000, 0.348063180000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.898431760000000, 0.192979430000000, 0.348063180000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.101568240000000, 0.807020570000000, 0.848063180000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.190595230000000, 0.492081410000000, 0.291837790000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.809404770000000, 0.507918590000000, 0.791837790000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.260133070000000, 0.781436300000000, 0.480582830000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.690595230000000, 0.007918590000000, 0.291837790000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.387440390000000, 0.540801590000000, 0.702245710000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.612559610000000, 0.459198410000000, 0.202245710000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.112559610000000, 0.040801590000000, 0.202245710000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.887440390000000, 0.959198410000000, 0.702245710000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.578822500000000, 0.705038750000000, 0.260115410000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.421177500000000, 0.294961250000000, 0.760115410000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.921177500000000, 0.205038750000000, 0.760115410000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.078822500000000, 0.794961250000000, 0.260115410000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.209810290000000, 0.470651790000000, 0.820020870000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.790189710000000, 0.529348210000000, 0.320020870000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.290189710000000, 0.970651790000000, 0.320020870000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.709810290000000, 0.029348210000000, 0.820020870000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.357296340000000, 0.496222440000000, 0.052392490000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.642703660000000, 0.503777560000000, 0.552392490000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.142703660000000, 0.996222440000000, 0.552392490000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.857296340000000, 0.003777560000000, 0.052392490000000 ] mass: 15.999400 - symbol: Sr # 65 coordinates: [ 0.818884780000000, 0.848650730000000, 0.927722250000000 ] mass: 87.620000 - symbol: Sr # 66 coordinates: [ 0.181115220000000, 0.151349270000000, 0.427722250000000 ] mass: 87.620000 - symbol: Sr # 67 coordinates: [ 0.681115220000000, 0.348650730000000, 0.427722250000000 ] mass: 87.620000 - symbol: Sr # 68 coordinates: [ 0.318884780000000, 0.651349270000000, 0.927722250000000 ] mass: 87.620000 - symbol: Sr # 69 coordinates: [ 0.540615030000000, 0.828422340000000, 0.722132680000000 ] mass: 87.620000 - symbol: Sr # 70 coordinates: [ 0.459384970000000, 0.171577660000000, 0.222132680000000 ] mass: 87.620000 - symbol: Sr # 71 coordinates: [ 0.959384970000000, 0.328422340000000, 0.222132680000000 ] mass: 87.620000 - symbol: Sr # 72 coordinates: [ 0.040615030000000, 0.671577660000000, 0.722132680000000 ] mass: 87.620000 - symbol: Sr # 73 coordinates: [ 0.803998350000000, 0.850618500000000, 0.175071980000000 ] mass: 87.620000 - symbol: Sr # 74 coordinates: [ 0.196001650000000, 0.149381500000000, 0.675071980000000 ] mass: 87.620000 - symbol: Sr # 75 coordinates: [ 0.303998350000000, 0.649381500000000, 0.175071980000000 ] mass: 87.620000 - symbol: Sr # 76 coordinates: [ 0.696001650000000, 0.350618500000000, 0.675071980000000 ] mass: 87.620000 - symbol: Pr # 77 coordinates: [ 0.534477450000000, 0.828424540000000, 0.383961390000000 ] mass: 140.907650 - symbol: Pr # 78 coordinates: [ 0.465522550000000, 0.171575460000000, 0.883961390000000 ] mass: 140.907650 - symbol: Pr # 79 coordinates: [ 0.965522550000000, 0.328424540000000, 0.883961390000000 ] mass: 140.907650 - symbol: Pr # 80 coordinates: [ 0.034477450000000, 0.671575460000000, 0.383961390000000 ] mass: 140.907650 - symbol: Pr # 81 coordinates: [ 0.819045930000000, 0.964085350000000, 0.554734770000000 ] mass: 140.907650 - symbol: Pr # 82 coordinates: [ 0.180954070000000, 0.035914650000000, 0.054734770000000 ] mass: 140.907650 - symbol: Pr # 83 coordinates: [ 0.680954070000000, 0.464085350000000, 0.054734770000000 ] mass: 140.907650 - symbol: Pr # 84 coordinates: [ 0.319045930000000, 0.535914650000000, 0.554734770000000 ] mass: 140.907650 reciprocal_lattice: # without 2pi - [ 0.137996841655245, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.113608832601398, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.060144953885823 ] # c*unit_cell: lattice: - [ 7.246542660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.802132520000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.626498739999999 ] # c points: - symbol: B # 1 coordinates: [ 0.659436390000000, 0.561606900000000, 0.261488880000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.513207520000000, 0.870718910000000, 0.049002880000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.486792480000000, 0.129281090000000, 0.549002880000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.986792480000000, 0.370718910000000, 0.549002880000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.013207520000000, 0.629281090000000, 0.049002880000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.228916650000000, 0.858063600000000, 0.552573890000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.771083350000000, 0.141936400000000, 0.052573890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.271083350000000, 0.358063600000000, 0.052573890000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.728916650000000, 0.641936400000000, 0.552573890000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.171834150000000, 0.951607460000000, 0.845234900000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.828165850000000, 0.048392540000000, 0.345234900000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.328165850000000, 0.451607460000000, 0.345234900000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.671834150000000, 0.548392540000000, 0.845234900000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.159436390000000, 0.938393100000000, 0.261488880000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.840563610000000, 0.061606900000000, 0.761488880000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.340563610000000, 0.438393100000000, 0.761488880000000 ] mass: 10.811000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.309404770000000, 0.992081410000000, 0.791837790000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.739866930000000, 0.218563700000000, 0.980582830000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.239866930000000, 0.281436300000000, 0.980582830000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.760133070000000, 0.718563700000000, 0.480582830000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.113737930000000, 0.762581290000000, 0.045722470000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.773595560000000, 0.717547650000000, 0.622017780000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.226404440000000, 0.282452350000000, 0.122017780000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.726404440000000, 0.217547650000000, 0.122017780000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.273595560000000, 0.782452350000000, 0.622017780000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.958768250000000, 0.554620110000000, 0.978336150000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.041231750000000, 0.445379890000000, 0.478336150000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.541231750000000, 0.054620110000000, 0.478336150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.458768250000000, 0.945379890000000, 0.978336150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.951224580000000, 0.572000010000000, 0.121927890000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.048775420000000, 0.427999990000000, 0.621927890000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.548775420000000, 0.072000010000000, 0.621927890000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.451224580000000, 0.927999990000000, 0.121927890000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.613737930000000, 0.737418710000000, 0.045722470000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.386262070000000, 0.262581290000000, 0.545722470000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.886262070000000, 0.237418710000000, 0.545722470000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.385003500000000, 0.561740610000000, 0.400813840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.614996500000000, 0.438259390000000, 0.900813840000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.114996500000000, 0.061740610000000, 0.900813840000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.885003500000000, 0.938259390000000, 0.400813840000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.601568240000000, 0.692979430000000, 0.848063180000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.398431760000000, 0.307020570000000, 0.348063180000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.898431760000000, 0.192979430000000, 0.348063180000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.101568240000000, 0.807020570000000, 0.848063180000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.190595230000000, 0.492081410000000, 0.291837790000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.809404770000000, 0.507918590000000, 0.791837790000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.260133070000000, 0.781436300000000, 0.480582830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.690595230000000, 0.007918590000000, 0.291837790000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.387440390000000, 0.540801590000000, 0.702245710000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.612559610000000, 0.459198410000000, 0.202245710000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.112559610000000, 0.040801590000000, 0.202245710000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.887440390000000, 0.959198410000000, 0.702245710000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.578822500000000, 0.705038750000000, 0.260115410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.421177500000000, 0.294961250000000, 0.760115410000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.921177500000000, 0.205038750000000, 0.760115410000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.078822500000000, 0.794961250000000, 0.260115410000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.209810290000000, 0.470651790000000, 0.820020870000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.790189710000000, 0.529348210000000, 0.320020870000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.290189710000000, 0.970651790000000, 0.320020870000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.709810290000000, 0.029348210000000, 0.820020870000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.357296340000000, 0.496222440000000, 0.052392490000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.642703660000000, 0.503777560000000, 0.552392490000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.142703660000000, 0.996222440000000, 0.552392490000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.857296340000000, 0.003777560000000, 0.052392490000000 ] mass: 15.999400 reduced_to: 64 - symbol: Sr # 65 coordinates: [ 0.818884780000000, 0.848650730000000, 0.927722250000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.181115220000000, 0.151349270000000, 0.427722250000000 ] mass: 87.620000 reduced_to: 66 - symbol: Sr # 67 coordinates: [ 0.681115220000000, 0.348650730000000, 0.427722250000000 ] mass: 87.620000 reduced_to: 67 - symbol: Sr # 68 coordinates: [ 0.318884780000000, 0.651349270000000, 0.927722250000000 ] mass: 87.620000 reduced_to: 68 - symbol: Sr # 69 coordinates: [ 0.540615030000000, 0.828422340000000, 0.722132680000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 70 coordinates: [ 0.459384970000000, 0.171577660000000, 0.222132680000000 ] mass: 87.620000 reduced_to: 70 - symbol: Sr # 71 coordinates: [ 0.959384970000000, 0.328422340000000, 0.222132680000000 ] mass: 87.620000 reduced_to: 71 - symbol: Sr # 72 coordinates: [ 0.040615030000000, 0.671577660000000, 0.722132680000000 ] mass: 87.620000 reduced_to: 72 - symbol: Sr # 73 coordinates: [ 0.803998350000000, 0.850618500000000, 0.175071980000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 74 coordinates: [ 0.196001650000000, 0.149381500000000, 0.675071980000000 ] mass: 87.620000 reduced_to: 74 - symbol: Sr # 75 coordinates: [ 0.303998350000000, 0.649381500000000, 0.175071980000000 ] mass: 87.620000 reduced_to: 75 - symbol: Sr # 76 coordinates: [ 0.696001650000000, 0.350618500000000, 0.675071980000000 ] mass: 87.620000 reduced_to: 76 - symbol: Pr # 77 coordinates: [ 0.534477450000000, 0.828424540000000, 0.383961390000000 ] mass: 140.907650 reduced_to: 77 - symbol: Pr # 78 coordinates: [ 0.465522550000000, 0.171575460000000, 0.883961390000000 ] mass: 140.907650 reduced_to: 78 - symbol: Pr # 79 coordinates: [ 0.965522550000000, 0.328424540000000, 0.883961390000000 ] mass: 140.907650 reduced_to: 79 - symbol: Pr # 80 coordinates: [ 0.034477450000000, 0.671575460000000, 0.383961390000000 ] mass: 140.907650 reduced_to: 80 - symbol: Pr # 81 coordinates: [ 0.819045930000000, 0.964085350000000, 0.554734770000000 ] mass: 140.907650 reduced_to: 81 - symbol: Pr # 82 coordinates: [ 0.180954070000000, 0.035914650000000, 0.054734770000000 ] mass: 140.907650 reduced_to: 82 - symbol: Pr # 83 coordinates: [ 0.680954070000000, 0.464085350000000, 0.054734770000000 ] mass: 140.907650 reduced_to: 83 - symbol: Pr # 84 coordinates: [ 0.319045930000000, 0.535914650000000, 0.554734770000000 ] mass: 140.907650 reduced_to: 84supercell: lattice: - [ 7.246542660000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.802132520000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.626498739999999 ] # c points: - symbol: B # 1 coordinates: [ 0.659436390000000, 0.561606900000000, 0.261488880000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.513207520000000, 0.870718910000000, 0.049002880000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.486792480000000, 0.129281090000000, 0.549002880000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.986792480000000, 0.370718910000000, 0.549002880000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.013207520000000, 0.629281090000000, 0.049002880000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.228916650000000, 0.858063600000000, 0.552573890000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.771083350000000, 0.141936400000000, 0.052573890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.271083350000000, 0.358063600000000, 0.052573890000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.728916650000000, 0.641936400000000, 0.552573890000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.171834150000000, 0.951607460000000, 0.845234900000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.828165850000000, 0.048392540000000, 0.345234900000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.328165850000000, 0.451607460000000, 0.345234900000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.671834150000000, 0.548392540000000, 0.845234900000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.159436390000000, 0.938393100000000, 0.261488880000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.840563610000000, 0.061606900000000, 0.761488880000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.340563610000000, 0.438393100000000, 0.761488880000000 ] mass: 10.811000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.309404770000000, 0.992081410000000, 0.791837790000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.739866930000000, 0.218563700000000, 0.980582830000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.239866930000000, 0.281436300000000, 0.980582830000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.760133070000000, 0.718563700000000, 0.480582830000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.113737930000000, 0.762581290000000, 0.045722470000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.773595560000000, 0.717547650000000, 0.622017780000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.226404440000000, 0.282452350000000, 0.122017780000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.726404440000000, 0.217547650000000, 0.122017780000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.273595560000000, 0.782452350000000, 0.622017780000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.958768250000000, 0.554620110000000, 0.978336150000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.041231750000000, 0.445379890000000, 0.478336150000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.541231750000000, 0.054620110000000, 0.478336150000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.458768250000000, 0.945379890000000, 0.978336150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.951224580000000, 0.572000010000000, 0.121927890000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.048775420000000, 0.427999990000000, 0.621927890000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.548775420000000, 0.072000010000000, 0.621927890000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.451224580000000, 0.927999990000000, 0.121927890000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.613737930000000, 0.737418710000000, 0.045722470000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.386262070000000, 0.262581290000000, 0.545722470000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.886262070000000, 0.237418710000000, 0.545722470000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.385003500000000, 0.561740610000000, 0.400813840000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.614996500000000, 0.438259390000000, 0.900813840000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.114996500000000, 0.061740610000000, 0.900813840000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.885003500000000, 0.938259390000000, 0.400813840000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.601568240000000, 0.692979430000000, 0.848063180000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.398431760000000, 0.307020570000000, 0.348063180000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.898431760000000, 0.192979430000000, 0.348063180000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.101568240000000, 0.807020570000000, 0.848063180000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.190595230000000, 0.492081410000000, 0.291837790000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.809404770000000, 0.507918590000000, 0.791837790000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.260133070000000, 0.781436300000000, 0.480582830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.690595230000000, 0.007918590000000, 0.291837790000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.387440390000000, 0.540801590000000, 0.702245710000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.612559610000000, 0.459198410000000, 0.202245710000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.112559610000000, 0.040801590000000, 0.202245710000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.887440390000000, 0.959198410000000, 0.702245710000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.578822500000000, 0.705038750000000, 0.260115410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.421177500000000, 0.294961250000000, 0.760115410000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.921177500000000, 0.205038750000000, 0.760115410000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.078822500000000, 0.794961250000000, 0.260115410000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.209810290000000, 0.470651790000000, 0.820020870000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.790189710000000, 0.529348210000000, 0.320020870000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.290189710000000, 0.970651790000000, 0.320020870000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.709810290000000, 0.029348210000000, 0.820020870000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.357296340000000, 0.496222440000000, 0.052392490000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.642703660000000, 0.503777560000000, 0.552392490000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.142703660000000, 0.996222440000000, 0.552392490000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.857296340000000, 0.003777560000000, 0.052392490000000 ] mass: 15.999400 reduced_to: 64 - symbol: Sr # 65 coordinates: [ 0.818884780000000, 0.848650730000000, 0.927722250000000 ] mass: 87.620000 reduced_to: 65 - symbol: Sr # 66 coordinates: [ 0.181115220000000, 0.151349270000000, 0.427722250000000 ] mass: 87.620000 reduced_to: 66 - symbol: Sr # 67 coordinates: [ 0.681115220000000, 0.348650730000000, 0.427722250000000 ] mass: 87.620000 reduced_to: 67 - symbol: Sr # 68 coordinates: [ 0.318884780000000, 0.651349270000000, 0.927722250000000 ] mass: 87.620000 reduced_to: 68 - symbol: Sr # 69 coordinates: [ 0.540615030000000, 0.828422340000000, 0.722132680000000 ] mass: 87.620000 reduced_to: 69 - symbol: Sr # 70 coordinates: [ 0.459384970000000, 0.171577660000000, 0.222132680000000 ] mass: 87.620000 reduced_to: 70 - symbol: Sr # 71 coordinates: [ 0.959384970000000, 0.328422340000000, 0.222132680000000 ] mass: 87.620000 reduced_to: 71 - symbol: Sr # 72 coordinates: [ 0.040615030000000, 0.671577660000000, 0.722132680000000 ] mass: 87.620000 reduced_to: 72 - symbol: Sr # 73 coordinates: [ 0.803998350000000, 0.850618500000000, 0.175071980000000 ] mass: 87.620000 reduced_to: 73 - symbol: Sr # 74 coordinates: [ 0.196001650000000, 0.149381500000000, 0.675071980000000 ] mass: 87.620000 reduced_to: 74 - symbol: Sr # 75 coordinates: [ 0.303998350000000, 0.649381500000000, 0.175071980000000 ] mass: 87.620000 reduced_to: 75 - symbol: Sr # 76 coordinates: [ 0.696001650000000, 0.350618500000000, 0.675071980000000 ] mass: 87.620000 reduced_to: 76 - symbol: Pr # 77 coordinates: [ 0.534477450000000, 0.828424540000000, 0.383961390000000 ] mass: 140.907650 reduced_to: 77 - symbol: Pr # 78 coordinates: [ 0.465522550000000, 0.171575460000000, 0.883961390000000 ] mass: 140.907650 reduced_to: 78 - symbol: Pr # 79 coordinates: [ 0.965522550000000, 0.328424540000000, 0.883961390000000 ] mass: 140.907650 reduced_to: 79 - symbol: Pr # 80 coordinates: [ 0.034477450000000, 0.671575460000000, 0.383961390000000 ] mass: 140.907650 reduced_to: 80 - symbol: Pr # 81 coordinates: [ 0.819045930000000, 0.964085350000000, 0.554734770000000 ] mass: 140.907650 reduced_to: 81 - symbol: Pr # 82 coordinates: [ 0.180954070000000, 0.035914650000000, 0.054734770000000 ] mass: 140.907650 reduced_to: 82 - symbol: Pr # 83 coordinates: [ 0.680954070000000, 0.464085350000000, 0.054734770000000 ] mass: 140.907650 reduced_to: 83 - symbol: Pr # 84 coordinates: [ 0.319045930000000, 0.535914650000000, 0.554734770000000 ] mass: 140.907650 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3066042100000000, 0.0684218400000000, -0.1347715700000000 ] - [ -0.0003258900000000, -0.0006879500000000, 0.0018459700000000 ] - [ 0.0011489100000000, -0.0007319000000000, 0.0005365700000000 ] - [ 0.0006209500000000, -0.0003047700000000, 0.0025449600000000 ] - [ 0.0002547200000000, 0.0015451900000000, -0.0009299500000000 ] - [ -0.0003421100000000, 0.0003248000000000, 0.0004610200000000 ] - [ -0.0000481700000000, -0.0005525500000000, 0.0008226100000000 ] - [ 0.0006541300000000, 0.0015209400000000, -0.0002108900000000 ] - [ 0.0000463100000000, -0.0007137400000000, 0.0022891200000000 ] - [ -0.0001122200000000, -0.0004021500000000, 0.0009092200000000 ] - [ -0.0043083900000000, -0.0018089100000000, -0.0032881100000000 ] - [ 0.0056492500000000, 0.0022808200000000, -0.0027184900000000 ] - [ -0.0005408300000000, 0.0000244500000000, 0.0012466600000000 ] - [ 0.0012575800000000, 0.0028191800000000, -0.0006118100000000 ] - [ -0.0007040100000000, -0.0001175200000000, 0.0008151300000000 ] - [ -0.0004733200000000, 0.0000542000000000, 0.0007894100000000 ] - [ 0.0004135400000000, -0.0000758500000000, -0.0009290500000000 ] - [ -0.0002163800000000, 0.0001678300000000, -0.0016539400000000 ] - [ -0.0004076900000000, -0.0007078000000000, -0.0009463000000000 ] - [ 0.0019344900000000, -0.0027507000000000, -0.0042193800000000 ] - [ -0.0007628900000000, -0.0007810500000000, -0.0003190600000000 ] - [ -0.0002651500000000, -0.0000169100000000, -0.0016321900000000 ] - [ -0.0012150200000000, -0.0004288600000000, 0.0010347700000000 ] - [ 0.0012807200000000, -0.0020202300000000, -0.0013859500000000 ] - [ 0.0001718900000000, -0.0002418400000000, -0.0004931800000000 ] - [ 0.0002780600000000, -0.0004857900000000, 0.0005317900000000 ] - [ -0.0018919900000000, 0.0016862100000000, -0.0026963200000000 ] - [ 0.0009525600000000, 0.0017647000000000, 0.0009077700000000 ] - [ -0.0006536100000000, 0.0010397700000000, -0.0014075200000000 ] - [ 0.0003865600000000, -0.0007066100000000, 0.0029776800000000 ] - [ -0.0003179300000000, -0.0002475300000000, -0.0019157600000000 ] - [ 0.0000141900000000, 0.0000665600000000, -0.0007318800000000 ] - [ -0.0007635000000000, 0.0012022400000000, -0.0015685700000000 ] - [ 0.0002349000000000, 0.0012475600000000, -0.0016776400000000 ] - [ 0.0000850200000000, 0.0002719800000000, -0.0003600700000000 ] - [ -0.0004739100000000, 0.0009734100000000, -0.0011624100000000 ] - [ -0.0019025000000000, -0.0013489800000000, 0.0033236600000000 ] - [ -0.0000362900000000, 0.0000805200000000, -0.0017678500000000 ] - [ 0.0001338200000000, -0.0000721200000000, -0.0005635400000000 ] - [ 0.0015156300000000, -0.0009261600000000, 0.0009678200000000 ] - [ 0.0003804800000000, -0.0004521700000000, -0.0010786800000000 ] - [ -0.0001445800000000, 0.0004531700000000, 0.0017962800000000 ] - [ -0.0001804700000000, 0.0041803500000000, 0.0009773400000000 ] - [ 0.0003613900000000, 0.0005352300000000, -0.0009742100000000 ] - [ -0.0080567700000000, -0.0000704200000000, 0.0023993400000000 ] - [ 0.0007066600000000, 0.0000971500000000, -0.0011399100000000 ] - [ -0.0025190500000000, -0.0017198800000000, -0.0013817400000000 ] - [ 0.0029333800000000, 0.0044411600000000, 0.0032667900000000 ] - [ -0.0002801700000000, -0.0002313900000000, -0.0010275000000000 ] - [ 0.0652096500000000, 0.0337686800000000, 0.0357765500000000 ] - [ 0.0001465800000000, -0.0008692500000000, 0.0013646200000000 ] - [ -0.0003452800000000, 0.0002014400000000, -0.0011518700000000 ] - [ 0.0847390500000000, -0.0675155900000000, 0.0065865700000000 ] - [ 0.0001392600000000, 0.0003621800000000, -0.0009120200000000 ] - [ 0.0001767900000000, -0.0002995800000000, -0.0008814400000000 ] - [ -0.0031794800000000, -0.0034295500000000, 0.0035129300000000 ] - [ 0.0001139600000000, -0.0005409300000000, -0.0006611500000000 ] - [ 0.1351247500000000, -0.0307437200000000, 0.0890936500000000 ] - [ -0.0014921200000000, -0.0008376100000000, 0.0008527100000000 ] - [ 0.0002269600000000, 0.0005574300000000, -0.0007406700000000 ] - [ -0.0017583600000000, -0.0020242100000000, -0.0002279800000000 ] - [ 0.0015231200000000, 0.0007702500000000, -0.0010158000000000 ] - [ 0.0006823900000000, -0.0008956300000000, 0.0002006300000000 ] - [ -0.0002788900000000, 0.0009404000000000, -0.0005389800000000 ] - [ -0.0006096700000000, 0.0001839600000000, 0.0005882100000000 ] - [ 0.0016230300000000, -0.0006707900000000, -0.0013649300000000 ] - [ -0.0050475900000000, -0.0055504200000000, 0.0041257600000000 ] - [ 0.0000560100000000, -0.0001596800000000, 0.0005472700000000 ] - [ 0.0000641800000000, 0.0000815600000000, 0.0011216400000000 ] - [ 0.0013346300000000, 0.0016465700000000, -0.0013685900000000 ] - [ 0.0064941600000000, -0.0120871000000000, -0.0095470900000000 ] - [ 0.0003235500000000, 0.0000893700000000, 0.0011612300000000 ] - [ -0.0056012000000000, 0.0050348300000000, -0.0021019000000000 ] - [ 0.0006016700000000, -0.0002984200000000, 0.0015602100000000 ] - [ 0.0160334100000000, -0.0035266000000000, 0.0079658600000000 ] - [ 0.0002806500000000, -0.0000018900000000, 0.0019356000000000 ] - [ -0.0029814900000000, -0.0033236000000000, -0.0136654800000000 ] - [ 0.0002493800000000, 0.0002928900000000, 0.0018386100000000 ] - [ -0.0003744900000000, -0.0003569200000000, 0.0016996600000000 ] - [ 0.0201980800000000, 0.0118031300000000, 0.0094420900000000 ] - [ -0.0003225100000000, -0.0001216100000000, 0.0011478900000000 ] - [ 0.0005487200000000, 0.0002522600000000, 0.0002156200000000 ] - [ -0.0017351500000000, -0.0004781200000000, 0.0062510300000000 ] - [ -0.0000318500000000, 0.0011507800000000, 0.0003091200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3017789600000000, -0.0697967000000000, 0.1279813900000000 ] - [ -0.0013214800000000, 0.0009635000000000, -0.0009840700000000 ] - [ 0.0005090100000000, 0.0004485500000000, 0.0003148300000000 ] - [ 0.0010345100000000, 0.0005851000000000, -0.0016915000000000 ] - [ -0.0018932700000000, -0.0017978300000000, 0.0017412600000000 ] - [ 0.0003598800000000, 0.0001948500000000, -0.0005923000000000 ] - [ 0.0000286900000000, 0.0000375900000000, -0.0009543400000000 ] - [ -0.0006679100000000, -0.0009991600000000, 0.0000665600000000 ] - [ -0.0000239800000000, 0.0001954500000000, -0.0024244400000000 ] - [ 0.0004544200000000, -0.0006632400000000, -0.0004642900000000 ] - [ 0.0039441200000000, 0.0028635000000000, 0.0037152900000000 ] - [ -0.0059700700000000, -0.0034084400000000, 0.0031955400000000 ] - [ 0.0008780700000000, 0.0010360400000000, -0.0007976000000000 ] - [ -0.0008394900000000, -0.0020175400000000, 0.0001954600000000 ] - [ 0.0003029000000000, -0.0006525600000000, -0.0012327600000000 ] - [ 0.0000731600000000, 0.0007130100000000, -0.0012060600000000 ] - [ 0.0001359100000000, 0.0000045300000000, 0.0008552600000000 ] - [ -0.0002733500000000, 0.0005971400000000, 0.0007072500000000 ] - [ -0.0000836400000000, -0.0000633700000000, 0.0000109800000000 ] - [ -0.0014388300000000, 0.0035199100000000, 0.0032730000000000 ] - [ 0.0008679200000000, 0.0001443700000000, 0.0002566600000000 ] - [ 0.0003950400000000, 0.0005944700000000, 0.0021216900000000 ] - [ 0.0010741500000000, -0.0001435100000000, -0.0005288100000000 ] - [ -0.0013875200000000, 0.0025791000000000, 0.0018718100000000 ] - [ -0.0000412700000000, -0.0003383000000000, 0.0009826100000000 ] - [ -0.0007518000000000, -0.0003704200000000, -0.0008230300000000 ] - [ 0.0024037100000000, -0.0008261900000000, 0.0023863600000000 ] - [ -0.0004639700000000, -0.0026175500000000, -0.0012188100000000 ] - [ 0.0001602800000000, -0.0001720200000000, 0.0010831300000000 ] - [ -0.0001994900000000, 0.0006417800000000, -0.0035595500000000 ] - [ 0.0001401800000000, 0.0002934900000000, 0.0012626600000000 ] - [ -0.0001936800000000, -0.0001098400000000, 0.0000783000000000 ] - [ 0.0009288100000000, -0.0011523600000000, 0.0009007900000000 ] - [ -0.0001263900000000, -0.0006138200000000, 0.0015949200000000 ] - [ -0.0001991800000000, -0.0008905300000000, 0.0002847000000000 ] - [ 0.0003639200000000, -0.0003487400000000, 0.0010875200000000 ] - [ 0.0017963100000000, 0.0014827200000000, -0.0030789600000000 ] - [ 0.0001488400000000, -0.0002145000000000, 0.0020281100000000 ] - [ -0.0000167600000000, 0.0002056200000000, 0.0008409500000000 ] - [ -0.0016235600000000, 0.0007904300000000, -0.0006858800000000 ] - [ 0.0002980900000000, -0.0007573000000000, 0.0005057000000000 ] - [ -0.0005604800000000, 0.0007775700000000, -0.0023627300000000 ] - [ -0.0004857200000000, -0.0053687700000000, -0.0015501900000000 ] - [ 0.0003178000000000, 0.0006753100000000, 0.0004032900000000 ] - [ 0.0074826700000000, 0.0000167300000000, -0.0025084800000000 ] - [ -0.0001531400000000, -0.0000255200000000, 0.0010648500000000 ] - [ 0.0030023800000000, 0.0009313000000000, 0.0004332300000000 ] - [ -0.0034555400000000, -0.0043437400000000, -0.0033187700000000 ] - [ -0.0005564400000000, -0.0007673500000000, 0.0009258900000000 ] - [ -0.0637308800000000, -0.0326640700000000, -0.0359145600000000 ] - [ 0.0006849100000000, -0.0001336100000000, -0.0014522100000000 ] - [ -0.0004896500000000, 0.0007980100000000, 0.0010548300000000 ] - [ -0.0852440200000000, 0.0696660000000000, -0.0066501500000000 ] - [ 0.0002005100000000, -0.0000224600000000, 0.0009662800000000 ] - [ 0.0001644200000000, -0.0000385200000000, 0.0009373300000000 ] - [ 0.0028330700000000, 0.0037278100000000, -0.0034621800000000 ] - [ -0.0004298800000000, -0.0006414300000000, 0.0012103700000000 ] - [ -0.1299902200000000, 0.0299982900000000, -0.0818573800000000 ] - [ 0.0017850700000000, -0.0003450800000000, -0.0003028600000000 ] - [ -0.0005429300000000, 0.0006254100000000, 0.0012891600000000 ] - [ 0.0001055500000000, 0.0001306600000000, 0.0009882300000000 ] - [ 0.0001069200000000, 0.0011264100000000, 0.0017635400000000 ] - [ 0.0009547900000000, -0.0010025200000000, 0.0005479200000000 ] - [ -0.0013503500000000, 0.0009496700000000, 0.0012863800000000 ] - [ 0.0000047700000000, 0.0001353700000000, -0.0017449200000000 ] - [ -0.0010268900000000, 0.0003408000000000, 0.0002148900000000 ] - [ 0.0056684700000000, 0.0058733100000000, -0.0052916800000000 ] - [ -0.0006508700000000, -0.0001578500000000, -0.0017060000000000 ] - [ 0.0003037000000000, -0.0001276600000000, -0.0014275100000000 ] - [ -0.0016743900000000, -0.0016128200000000, 0.0010421600000000 ] - [ -0.0068096000000000, 0.0118593600000000, 0.0091666300000000 ] - [ 0.0000427800000000, -0.0000425400000000, -0.0014675000000000 ] - [ 0.0046053400000000, -0.0046795300000000, 0.0028658300000000 ] - [ 0.0003206300000000, -0.0000411500000000, -0.0007881500000000 ] - [ -0.0170722900000000, 0.0032894900000000, -0.0073661500000000 ] - [ 0.0006420800000000, 0.0003407800000000, -0.0011629600000000 ] - [ 0.0030534200000000, 0.0027779000000000, 0.0137405000000000 ] - [ -0.0002810100000000, 0.0002619600000000, -0.0016961900000000 ] - [ 0.0003320200000000, -0.0001998800000000, -0.0015597000000000 ] - [ -0.0201650400000000, -0.0112110700000000, -0.0091968700000000 ] - [ -0.0001435000000000, -0.0013203100000000, -0.0007387100000000 ] - [ -0.0000841600000000, 0.0011903800000000, 0.0001912100000000 ] - [ 0.0021598400000000, -0.0009725100000000, -0.0057975400000000 ] - [ -0.0004353500000000, 0.0002886000000000, 0.0001305500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0741015600000000, -0.4290166700000000, -0.0651363500000000 ] - [ 0.0000433300000000, -0.0008358900000000, -0.0028485600000000 ] - [ -0.0001015100000000, 0.0008119700000000, 0.0025465900000000 ] - [ 0.0009500400000000, 0.0003271500000000, 0.0004077300000000 ] - [ -0.0014959800000000, -0.0023066300000000, 0.0003280000000000 ] - [ 0.0002288400000000, 0.0006600000000000, 0.0013732200000000 ] - [ -0.0017729400000000, 0.0037077700000000, 0.0019324300000000 ] - [ 0.0010152100000000, 0.0018702700000000, 0.0017589500000000 ] - [ -0.0004902600000000, -0.0010228700000000, 0.0011666100000000 ] - [ -0.0000970100000000, -0.0005448600000000, 0.0005680800000000 ] - [ 0.0034583400000000, 0.0053872800000000, 0.0023193100000000 ] - [ 0.0027271600000000, -0.0084367400000000, -0.0052316900000000 ] - [ -0.0004398700000000, -0.0008909500000000, 0.0014039700000000 ] - [ -0.0022109300000000, 0.0031733000000000, -0.0033105900000000 ] - [ -0.0004661700000000, 0.0000729200000000, 0.0005462600000000 ] - [ -0.0005282100000000, 0.0001327900000000, 0.0007202000000000 ] - [ 0.0003448100000000, -0.0001259900000000, -0.0006198600000000 ] - [ 0.0002646100000000, -0.0016889200000000, -0.0019490700000000 ] - [ -0.0003415400000000, -0.0016059200000000, -0.0017223900000000 ] - [ -0.0019600300000000, 0.0029492100000000, -0.0014371300000000 ] - [ 0.0010074200000000, 0.0015843400000000, 0.0007777000000000 ] - [ 0.0001702300000000, 0.0003936800000000, -0.0006632100000000 ] - [ -0.0008003600000000, -0.0021139700000000, -0.0010386300000000 ] - [ 0.0006886400000000, -0.0045102500000000, -0.0020160600000000 ] - [ -0.0001279500000000, -0.0001690400000000, -0.0006839800000000 ] - [ 0.0014370100000000, 0.0007960300000000, -0.0006693800000000 ] - [ 0.0007249100000000, 0.0004971400000000, 0.0001013400000000 ] - [ 0.0000172400000000, -0.0046784100000000, -0.0036259600000000 ] - [ -0.0002857500000000, 0.0000644100000000, 0.0013851800000000 ] - [ 0.0039827800000000, 0.0042739200000000, -0.0009215600000000 ] - [ 0.0000309200000000, 0.0000233300000000, -0.0006411900000000 ] - [ -0.0000327300000000, -0.0000747200000000, -0.0016378300000000 ] - [ 0.0013260800000000, -0.0024690300000000, 0.0038393200000000 ] - [ -0.0002936300000000, 0.0035243600000000, 0.0020620500000000 ] - [ 0.0005152500000000, -0.0012124600000000, -0.0004149000000000 ] - [ -0.0000336900000000, -0.0002351000000000, 0.0000122400000000 ] - [ 0.0029806500000000, 0.0066186000000000, -0.0020409900000000 ] - [ -0.0004470200000000, 0.0002074700000000, -0.0029663500000000 ] - [ 0.0001677200000000, -0.0003285300000000, 0.0000159000000000 ] - [ -0.0021879600000000, -0.0015772200000000, -0.0011790200000000 ] - [ 0.0003281300000000, 0.0001545100000000, -0.0007024900000000 ] - [ -0.0048028100000000, 0.0002774500000000, 0.0044246000000000 ] - [ -0.0011564500000000, -0.0051998500000000, 0.0008780900000000 ] - [ 0.0002714000000000, 0.0007516500000000, -0.0006646800000000 ] - [ 0.0011379100000000, 0.0037462000000000, 0.0016358100000000 ] - [ 0.0007379000000000, 0.0002842100000000, -0.0010830600000000 ] - [ 0.0033803600000000, 0.0011499700000000, -0.0011447700000000 ] - [ -0.0024299400000000, -0.0081642300000000, -0.0010074500000000 ] - [ -0.0003856100000000, -0.0002087900000000, -0.0010254600000000 ] - [ 0.0332301200000000, 0.1403243200000000, 0.0886175500000000 ] - [ 0.0000734900000000, -0.0039808800000000, 0.0021127100000000 ] - [ -0.0004147600000000, 0.0001923600000000, -0.0010446300000000 ] - [ -0.0726459500000000, 0.2009299500000000, -0.0070231400000000 ] - [ 0.0000869300000000, 0.0001502500000000, -0.0007253900000000 ] - [ 0.0001644700000000, -0.0005525400000000, -0.0006978100000000 ] - [ -0.0009069400000000, 0.0004193400000000, -0.0003559900000000 ] - [ 0.0001986200000000, -0.0004716000000000, -0.0005672100000000 ] - [ -0.0264785300000000, 0.0641868500000000, -0.0248520000000000 ] - [ 0.0038707600000000, -0.0049955500000000, 0.0009769100000000 ] - [ 0.0001070800000000, 0.0003488400000000, -0.0004219700000000 ] - [ -0.0047007700000000, 0.0004221100000000, -0.0014127700000000 ] - [ 0.0008079400000000, 0.0016429700000000, 0.0002309300000000 ] - [ 0.0007993300000000, -0.0014036100000000, -0.0001077000000000 ] - [ 0.0000813200000000, -0.0027696300000000, 0.0021557700000000 ] - [ -0.0001553100000000, -0.0001087100000000, -0.0006504200000000 ] - [ 0.0003700100000000, 0.0020024900000000, -0.0008832200000000 ] - [ -0.0002143900000000, 0.0035441900000000, -0.0086084900000000 ] - [ -0.0003135200000000, -0.0011298400000000, 0.0000563500000000 ] - [ 0.0002277300000000, -0.0001740300000000, 0.0008617300000000 ] - [ 0.0028198900000000, 0.0128293000000000, -0.0015827000000000 ] - [ -0.0135260500000000, 0.0089780100000000, 0.0001683800000000 ] - [ 0.0001271500000000, -0.0002146600000000, 0.0008232400000000 ] - [ 0.0107510300000000, 0.0130361000000000, -0.0147220800000000 ] - [ 0.0003265200000000, 0.0000327400000000, 0.0013129500000000 ] - [ -0.0072632400000000, -0.0112697800000000, -0.0100378100000000 ] - [ 0.0005441200000000, 0.0002925900000000, 0.0013398400000000 ] - [ -0.0032842000000000, 0.0155041900000000, 0.0286047000000000 ] - [ 0.0003948100000000, 0.0015308800000000, 0.0013195400000000 ] - [ -0.0006257800000000, 0.0003163800000000, 0.0019417200000000 ] - [ -0.0009347600000000, -0.0055243800000000, 0.0006395700000000 ] - [ 0.0005360100000000, -0.0003486700000000, 0.0023510300000000 ] - [ -0.0003177300000000, 0.0032535700000000, -0.0012666300000000 ] - [ -0.0024837800000000, -0.0031446100000000, 0.0161690400000000 ] - [ -0.0004016900000000, 0.0001281700000000, 0.0014570000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0641924100000000, 0.4179003400000000, 0.0716571800000000 ] - [ -0.0016944400000000, 0.0011159200000000, 0.0036830100000000 ] - [ 0.0017505800000000, -0.0010880300000000, -0.0016869100000000 ] - [ 0.0007066600000000, -0.0000384800000000, 0.0004354900000000 ] - [ -0.0001620800000000, 0.0020110900000000, 0.0005218100000000 ] - [ -0.0002044900000000, -0.0001475500000000, -0.0015150400000000 ] - [ 0.0017522100000000, -0.0042181200000000, -0.0020844400000000 ] - [ -0.0010310700000000, -0.0013450500000000, -0.0019007400000000 ] - [ 0.0005101500000000, 0.0005068100000000, -0.0013181000000000 ] - [ 0.0004404300000000, -0.0005233600000000, -0.0001285400000000 ] - [ -0.0037748300000000, -0.0043302900000000, -0.0018423000000000 ] - [ -0.0030559500000000, 0.0074666700000000, 0.0056543900000000 ] - [ 0.0007820000000000, 0.0019518000000000, -0.0009603400000000 ] - [ 0.0026258100000000, -0.0024154000000000, 0.0029074800000000 ] - [ 0.0000689100000000, -0.0008436000000000, -0.0009706000000000 ] - [ 0.0001306900000000, 0.0006402800000000, -0.0011441800000000 ] - [ 0.0002042400000000, 0.0000555800000000, 0.0005523000000000 ] - [ -0.0007535000000000, 0.0024493800000000, 0.0010225100000000 ] - [ -0.0001490600000000, 0.0008320500000000, 0.0007895500000000 ] - [ 0.0024491700000000, -0.0021621700000000, 0.0005136900000000 ] - [ -0.0008929100000000, -0.0021980100000000, -0.0008449900000000 ] - [ -0.0000379700000000, 0.0001876900000000, 0.0011659000000000 ] - [ 0.0006667600000000, 0.0015273200000000, 0.0015421400000000 ] - [ -0.0008171800000000, 0.0050779700000000, 0.0025404100000000 ] - [ 0.0002571900000000, -0.0004081700000000, 0.0011834500000000 ] - [ -0.0019128900000000, -0.0016517400000000, 0.0003506300000000 ] - [ -0.0002250200000000, 0.0003527900000000, -0.0003989600000000 ] - [ 0.0004700900000000, 0.0038089900000000, 0.0032934600000000 ] - [ -0.0002022100000000, 0.0007964300000000, -0.0016907300000000 ] - [ -0.0037901300000000, -0.0043115700000000, 0.0002673900000000 ] - [ -0.0002106000000000, 0.0000201400000000, -0.0000042800000000 ] - [ -0.0001465900000000, 0.0000304100000000, 0.0009833800000000 ] - [ -0.0011364300000000, 0.0025063700000000, -0.0044770600000000 ] - [ 0.0004008400000000, -0.0028874500000000, -0.0021194700000000 ] - [ -0.0006249400000000, 0.0005822700000000, 0.0003393400000000 ] - [ -0.0000767800000000, 0.0008526000000000, -0.0000840400000000 ] - [ -0.0031108000000000, -0.0064848700000000, 0.0023173800000000 ] - [ 0.0005586200000000, -0.0003445500000000, 0.0032341100000000 ] - [ -0.0000507800000000, 0.0004630500000000, 0.0002683600000000 ] - [ 0.0020589800000000, 0.0014631800000000, 0.0014344200000000 ] - [ 0.0003503700000000, -0.0013618700000000, 0.0001355000000000 ] - [ 0.0041671500000000, 0.0009065900000000, -0.0050257200000000 ] - [ 0.0004585500000000, 0.0039920300000000, -0.0014712000000000 ] - [ 0.0004068500000000, 0.0004610900000000, 0.0000976100000000 ] - [ -0.0016616900000000, -0.0038385800000000, -0.0017211100000000 ] - [ -0.0001867700000000, -0.0002129700000000, 0.0010131300000000 ] - [ -0.0028733100000000, -0.0019119200000000, 0.0002152800000000 ] - [ 0.0018818700000000, 0.0082102200000000, 0.0009047000000000 ] - [ -0.0004500600000000, -0.0007925500000000, 0.0009360900000000 ] - [ -0.0344392100000000, -0.1433465000000000, -0.0951311600000000 ] - [ 0.0007556800000000, 0.0029899000000000, -0.0022160200000000 ] - [ -0.0004212300000000, 0.0008085100000000, 0.0009530900000000 ] - [ 0.0649581700000000, -0.1876279600000000, 0.0069897200000000 ] - [ 0.0002535500000000, 0.0001854400000000, 0.0007862000000000 ] - [ 0.0001764600000000, 0.0002137600000000, 0.0007588600000000 ] - [ 0.0005544800000000, -0.0000610700000000, 0.0003863600000000 ] - [ -0.0005166500000000, -0.0007118800000000, 0.0011223500000000 ] - [ 0.0264879600000000, -0.0623625300000000, 0.0250269500000000 ] - [ -0.0035678700000000, 0.0038355100000000, -0.0004295500000000 ] - [ -0.0004252600000000, 0.0008338700000000, 0.0009778100000000 ] - [ 0.0030555200000000, -0.0023115700000000, 0.0021678200000000 ] - [ 0.0008254600000000, 0.0002503100000000, 0.0005252500000000 ] - [ 0.0008342800000000, -0.0004884400000000, 0.0008577400000000 ] - [ -0.0017197300000000, 0.0046549500000000, -0.0013867600000000 ] - [ -0.0004436300000000, 0.0004225300000000, -0.0005185800000000 ] - [ 0.0002293700000000, -0.0023231400000000, -0.0002607900000000 ] - [ 0.0008300500000000, -0.0031862500000000, 0.0075076400000000 ] - [ -0.0002878400000000, 0.0008083300000000, -0.0012215200000000 ] - [ 0.0001398800000000, 0.0001254400000000, -0.0011759400000000 ] - [ -0.0032395400000000, -0.0128442400000000, 0.0012537900000000 ] - [ 0.0132973800000000, -0.0090223300000000, -0.0005017300000000 ] - [ 0.0002396000000000, 0.0002600300000000, -0.0011379600000000 ] - [ -0.0115566900000000, -0.0125724100000000, 0.0153496700000000 ] - [ 0.0005948800000000, -0.0003713200000000, -0.0005477100000000 ] - [ 0.0063410700000000, 0.0108962300000000, 0.0108433400000000 ] - [ 0.0003792200000000, 0.0000494500000000, -0.0005756300000000 ] - [ 0.0032495500000000, -0.0160167200000000, -0.0283379400000000 ] - [ -0.0004294600000000, -0.0009711000000000, -0.0011931500000000 ] - [ 0.0005869800000000, -0.0008639300000000, -0.0018105200000000 ] - [ 0.0009214800000000, 0.0059981500000000, -0.0005354900000000 ] - [ -0.0010004900000000, -0.0011035600000000, -0.0019401200000000 ] - [ 0.0007786600000000, -0.0018064300000000, 0.0016658000000000 ] - [ 0.0029478400000000, 0.0016870600000000, -0.0157661900000000 ] - [ -0.0000631500000000, 0.0013191400000000, -0.0010569200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1335393700000000, -0.0636380400000000, -0.3710280800000000 ] - [ 0.0008666300000000, -0.0025993700000000, 0.0001390900000000 ] - [ 0.0012070600000000, -0.0007719600000000, 0.0017226800000000 ] - [ 0.0006407600000000, -0.0006571600000000, 0.0036555300000000 ] - [ -0.0012979800000000, -0.0024093100000000, 0.0038169100000000 ] - [ -0.0005109600000000, 0.0009597400000000, 0.0024639500000000 ] - [ -0.0007652700000000, 0.0013465900000000, 0.0022701600000000 ] - [ 0.0013435700000000, 0.0034304700000000, 0.0015688800000000 ] - [ 0.0001957200000000, -0.0005674900000000, 0.0036361700000000 ] - [ -0.0006477700000000, -0.0004099000000000, 0.0017851900000000 ] - [ -0.0032126500000000, -0.0002164900000000, -0.0032469300000000 ] - [ -0.0034985100000000, -0.0061503600000000, -0.0056179800000000 ] - [ -0.0009815400000000, -0.0005219100000000, 0.0025134700000000 ] - [ -0.0001957600000000, 0.0034884400000000, -0.0032403000000000 ] - [ -0.0012233200000000, 0.0003721700000000, 0.0020805700000000 ] - [ -0.0011972900000000, -0.0005472000000000, 0.0023688500000000 ] - [ 0.0006611200000000, -0.0001008800000000, -0.0020944200000000 ] - [ -0.0000158400000000, -0.0009107100000000, -0.0031861800000000 ] - [ -0.0004451600000000, -0.0017364000000000, -0.0024071500000000 ] - [ 0.0012222100000000, -0.0019873000000000, -0.0050978000000000 ] - [ 0.0007591800000000, 0.0018822800000000, -0.0009894100000000 ] - [ -0.0003348000000000, -0.0002784900000000, -0.0029388100000000 ] - [ -0.0021033700000000, -0.0020399200000000, 0.0004610400000000 ] - [ 0.0022577100000000, -0.0045038400000000, -0.0025008200000000 ] - [ 0.0001057500000000, -0.0002901100000000, -0.0021059300000000 ] - [ 0.0006385900000000, -0.0003889100000000, -0.0029745600000000 ] - [ -0.0006882700000000, 0.0021171800000000, -0.0037013900000000 ] - [ 0.0006669500000000, 0.0006963700000000, -0.0004520000000000 ] - [ -0.0008750000000000, 0.0015446600000000, -0.0012251000000000 ] - [ 0.0051296300000000, 0.0016490900000000, -0.0028349800000000 ] - [ -0.0001022800000000, -0.0001620100000000, -0.0030490300000000 ] - [ -0.0000757700000000, 0.0002265600000000, -0.0019277000000000 ] - [ -0.0001864900000000, 0.0000722700000000, 0.0012763500000000 ] - [ -0.0007022700000000, 0.0038882800000000, -0.0017822800000000 ] - [ 0.0000221900000000, 0.0006025700000000, -0.0011008200000000 ] - [ -0.0003704900000000, 0.0012140200000000, -0.0017556800000000 ] - [ 0.0044977100000000, 0.0014328200000000, -0.0003464300000000 ] - [ -0.0000717500000000, 0.0003185400000000, -0.0034867200000000 ] - [ 0.0002939600000000, -0.0003792500000000, -0.0013100500000000 ] - [ 0.0010450500000000, -0.0021853800000000, 0.0009576400000000 ] - [ 0.0003954400000000, -0.0001570300000000, -0.0020573700000000 ] - [ -0.0002164700000000, 0.0036073900000000, 0.0048109300000000 ] - [ -0.0008011600000000, 0.0026625000000000, 0.0027079300000000 ] - [ 0.0003897600000000, 0.0006798600000000, -0.0019475800000000 ] - [ -0.0064060900000000, 0.0015432400000000, 0.0072659400000000 ] - [ 0.0010016100000000, 0.0001867900000000, -0.0025903800000000 ] - [ -0.0019384500000000, -0.0028896600000000, -0.0037759100000000 ] - [ 0.0016620400000000, -0.0000427500000000, 0.0042450100000000 ] - [ -0.0002784900000000, 0.0002732800000000, -0.0030330100000000 ] - [ 0.0358924500000000, 0.0920665600000000, 0.1525977200000000 ] - [ 0.0000365800000000, -0.0026568400000000, 0.0034712000000000 ] - [ -0.0002459100000000, -0.0002266000000000, -0.0025959100000000 ] - [ 0.0017035300000000, 0.0004571700000000, 0.0568036600000000 ] - [ 0.0001356500000000, 0.0006340600000000, -0.0021321800000000 ] - [ 0.0001612900000000, -0.0006466500000000, -0.0021462600000000 ] - [ -0.0026205500000000, -0.0030448900000000, 0.0058943700000000 ] - [ 0.0007614000000000, -0.0004598000000000, -0.0021902700000000 ] - [ 0.0908205700000000, -0.0309201600000000, 0.1440423100000000 ] - [ 0.0004144700000000, -0.0019136200000000, 0.0033279500000000 ] - [ 0.0006549100000000, 0.0004385000000000, -0.0019958800000000 ] - [ -0.0038704500000000, -0.0015941200000000, -0.0020611700000000 ] - [ 0.0010109400000000, 0.0009522300000000, -0.0019790500000000 ] - [ 0.0009750200000000, -0.0014480000000000, -0.0006852600000000 ] - [ 0.0003157500000000, -0.0006808100000000, 0.0000060200000000 ] - [ -0.0004904400000000, -0.0002721700000000, 0.0017534100000000 ] - [ 0.0010101500000000, -0.0011148300000000, -0.0012462200000000 ] - [ -0.0019321500000000, -0.0102243700000000, 0.0088792100000000 ] - [ -0.0001918600000000, -0.0006265600000000, 0.0022077900000000 ] - [ 0.0001657900000000, 0.0001080700000000, 0.0028002400000000 ] - [ 0.0033466000000000, 0.0079762200000000, -0.0065142700000000 ] - [ -0.0064847100000000, -0.0000998200000000, -0.0136789000000000 ] - [ 0.0002124000000000, 0.0000272200000000, 0.0029345300000000 ] - [ -0.0041898200000000, -0.0071658300000000, -0.0036916100000000 ] - [ 0.0005265300000000, -0.0002434000000000, 0.0031794900000000 ] - [ 0.0111029300000000, -0.0073648900000000, -0.0033250300000000 ] - [ 0.0003156900000000, -0.0000778600000000, 0.0036217200000000 ] - [ -0.0058422300000000, 0.0127410900000000, 0.0001507400000000 ] - [ 0.0004041100000000, 0.0007999500000000, 0.0040810800000000 ] - [ -0.0005720300000000, 0.0003762500000000, 0.0045731300000000 ] - [ 0.0169132600000000, 0.0128445400000000, 0.0081665700000000 ] - [ -0.0003458700000000, 0.0001158000000000, 0.0028421100000000 ] - [ 0.0001261900000000, 0.0010855600000000, -0.0004615900000000 ] - [ -0.0022670700000000, 0.0020050400000000, 0.0223506900000000 ] - [ -0.0002731800000000, 0.0004996600000000, 0.0050781600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.1292753700000000, 0.0731479800000000, 0.3711320800000000 ] - [ -0.0025331300000000, 0.0029036500000000, 0.0007346400000000 ] - [ 0.0004474000000000, 0.0004871500000000, -0.0008748600000000 ] - [ 0.0010158000000000, 0.0009384800000000, -0.0028060700000000 ] - [ -0.0003422900000000, 0.0021637500000000, -0.0030009200000000 ] - [ 0.0005333600000000, -0.0004462200000000, -0.0026127200000000 ] - [ 0.0007548000000000, -0.0018755200000000, -0.0024004500000000 ] - [ -0.0013639300000000, -0.0029296900000000, -0.0016910200000000 ] - [ -0.0001738000000000, 0.0000507300000000, -0.0037701000000000 ] - [ 0.0009906800000000, -0.0006541700000000, -0.0013421800000000 ] - [ 0.0028471100000000, 0.0012629000000000, 0.0036725700000000 ] - [ 0.0031511000000000, 0.0050726100000000, 0.0059591300000000 ] - [ 0.0013261300000000, 0.0015937700000000, -0.0020749700000000 ] - [ 0.0006116600000000, -0.0027295500000000, 0.0028334200000000 ] - [ 0.0008246900000000, -0.0011446600000000, -0.0025031900000000 ] - [ 0.0007983300000000, 0.0013171700000000, -0.0027915900000000 ] - [ -0.0001108800000000, 0.0000297000000000, 0.0020240100000000 ] - [ -0.0004777600000000, 0.0016935000000000, 0.0022442600000000 ] - [ -0.0000451900000000, 0.0009694800000000, 0.0014625200000000 ] - [ -0.0007308900000000, 0.0027356600000000, 0.0041525500000000 ] - [ -0.0006615600000000, -0.0025293900000000, 0.0009165500000000 ] - [ 0.0004646500000000, 0.0008551500000000, 0.0034306800000000 ] - [ 0.0019605400000000, 0.0014665600000000, 0.0000183000000000 ] - [ -0.0023670000000000, 0.0050897800000000, 0.0029862700000000 ] - [ 0.0000250800000000, -0.0002921900000000, 0.0026097900000000 ] - [ -0.0011279200000000, -0.0004772000000000, 0.0026719300000000 ] - [ 0.0011847400000000, -0.0012576400000000, 0.0033981700000000 ] - [ -0.0001758400000000, -0.0015481600000000, 0.0001429400000000 ] - [ 0.0003908900000000, -0.0006865500000000, 0.0009015000000000 ] - [ -0.0049932400000000, -0.0017119900000000, 0.0022200000000000 ] - [ -0.0000763600000000, 0.0002070600000000, 0.0024007900000000 ] - [ -0.0001031000000000, -0.0002701600000000, 0.0012789300000000 ] - [ 0.0003667200000000, -0.0000348500000000, -0.0019570900000000 ] - [ 0.0008198000000000, -0.0032905100000000, 0.0017141800000000 ] - [ -0.0001315800000000, -0.0012215900000000, 0.0010292000000000 ] - [ 0.0002564100000000, -0.0005876400000000, 0.0016831500000000 ] - [ -0.0045332400000000, -0.0013026000000000, 0.0006377600000000 ] - [ 0.0001904700000000, -0.0004538400000000, 0.0037786700000000 ] - [ -0.0001776200000000, 0.0005140200000000, 0.0015866600000000 ] - [ -0.0011613000000000, 0.0020577200000000, -0.0006660600000000 ] - [ 0.0002836300000000, -0.0010567400000000, 0.0014892000000000 ] - [ -0.0004487000000000, -0.0023959800000000, -0.0053654100000000 ] - [ 0.0001265100000000, -0.0038475900000000, -0.0032735900000000 ] - [ 0.0002886800000000, 0.0005291100000000, 0.0013786300000000 ] - [ 0.0058597900000000, -0.0016257100000000, -0.0073292800000000 ] - [ -0.0004536300000000, -0.0001163600000000, 0.0025221100000000 ] - [ 0.0024401500000000, 0.0021120800000000, 0.0028578800000000 ] - [ -0.0021901900000000, 0.0001550800000000, -0.0042995700000000 ] - [ -0.0005568300000000, -0.0012734200000000, 0.0029387800000000 ] - [ -0.0379643500000000, -0.0982652000000000, -0.1586348600000000 ] - [ 0.0007965200000000, 0.0016674700000000, -0.0035798600000000 ] - [ -0.0005895200000000, 0.0012270800000000, 0.0025044800000000 ] - [ -0.0014831100000000, -0.0019971900000000, -0.0566692600000000 ] - [ 0.0002059000000000, -0.0002950000000000, 0.0021921300000000 ] - [ 0.0001793300000000, 0.0003106200000000, 0.0022064800000000 ] - [ 0.0022824400000000, 0.0033799000000000, -0.0058450500000000 ] - [ -0.0010789300000000, -0.0007226800000000, 0.0027437200000000 ] - [ -0.0835719400000000, 0.0301968100000000, -0.1381140900000000 ] - [ -0.0001165000000000, 0.0007515300000000, -0.0027659300000000 ] - [ -0.0009722000000000, 0.0007446500000000, 0.0025493100000000 ] - [ 0.0022490500000000, -0.0002904900000000, 0.0028087000000000 ] - [ 0.0006232200000000, 0.0009417000000000, 0.0027240700000000 ] - [ 0.0006590500000000, -0.0004462500000000, 0.0014416900000000 ] - [ -0.0019540500000000, 0.0025836000000000, 0.0007307000000000 ] - [ -0.0001085200000000, 0.0005949000000000, -0.0029140700000000 ] - [ -0.0004124900000000, 0.0007863800000000, 0.0000789300000000 ] - [ 0.0025513000000000, 0.0104469600000000, -0.0099620100000000 ] - [ -0.0004089100000000, 0.0003106600000000, -0.0033702200000000 ] - [ 0.0002002100000000, -0.0001533400000000, -0.0031132600000000 ] - [ -0.0037213400000000, -0.0079517600000000, 0.0062004400000000 ] - [ 0.0061242700000000, 0.0000612600000000, 0.0134141800000000 ] - [ 0.0001559100000000, 0.0000210300000000, -0.0032477000000000 ] - [ 0.0032761100000000, 0.0075588200000000, 0.0045331500000000 ] - [ 0.0003959800000000, -0.0000978600000000, -0.0024146400000000 ] - [ -0.0120569200000000, 0.0070647600000000, 0.0041762500000000 ] - [ 0.0006071700000000, 0.0004159000000000, -0.0028554200000000 ] - [ 0.0058467700000000, -0.0132194500000000, -0.0001431900000000 ] - [ -0.0004425900000000, -0.0002496000000000, -0.0039452100000000 ] - [ 0.0005389400000000, -0.0009368100000000, -0.0044405700000000 ] - [ -0.0168401400000000, -0.0122645800000000, -0.0080617000000000 ] - [ -0.0001151300000000, -0.0015570400000000, -0.0024449500000000 ] - [ 0.0003358500000000, 0.0003613900000000, 0.0008905100000000 ] - [ 0.0027079400000000, -0.0035189600000000, -0.0220657900000000 ] - [ -0.0001977800000000, 0.0009476300000000, -0.0046551300000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006955400000000, 0.0004823800000000, 0.0014892000000000 ] - [ -0.2712540800000000, 0.1489469600000000, 0.0200502100000000 ] - [ 0.0008110700000000, -0.0001495100000000, 0.0004139000000000 ] - [ 0.0008077200000000, 0.0000963700000000, 0.0004019700000000 ] - [ 0.0031938500000000, 0.0051840200000000, -0.0000582600000000 ] - [ -0.0000277500000000, 0.0003246700000000, -0.0001136600000000 ] - [ -0.0047685200000000, 0.0084954900000000, -0.0002244000000000 ] - [ -0.0013549400000000, -0.0036971100000000, -0.0000466300000000 ] - [ 0.0000049200000000, -0.0002933300000000, -0.0001263300000000 ] - [ 0.0015497100000000, 0.0002685400000000, 0.0003813600000000 ] - [ -0.0003054800000000, 0.0003625800000000, 0.0000972600000000 ] - [ -0.0001192900000000, -0.0010189000000000, 0.0004362800000000 ] - [ 0.0010304900000000, -0.0000765000000000, -0.0009567800000000 ] - [ 0.0012878200000000, 0.0010492000000000, -0.0006818700000000 ] - [ -0.0004073200000000, -0.0005081400000000, -0.0000223900000000 ] - [ 0.0001241500000000, -0.0005480300000000, -0.0005919800000000 ] - [ -0.0005995300000000, -0.0003387600000000, -0.0006675600000000 ] - [ 0.0021060300000000, 0.0009854100000000, 0.0025279100000000 ] - [ -0.0007778100000000, 0.0023521400000000, -0.0002707000000000 ] - [ 0.0002732200000000, 0.0003116600000000, -0.0004439200000000 ] - [ -0.0071996300000000, -0.0053693200000000, -0.0002673500000000 ] - [ 0.0000769400000000, 0.0002461400000000, 0.0003399300000000 ] - [ -0.0002639300000000, 0.0026484800000000, -0.0000473200000000 ] - [ 0.0025825300000000, 0.0013667400000000, -0.0025574800000000 ] - [ 0.0000716100000000, -0.0003547600000000, 0.0002984300000000 ] - [ -0.0031473800000000, -0.0011864500000000, -0.0002488500000000 ] - [ 0.0002226200000000, 0.0004730700000000, -0.0001603600000000 ] - [ 0.0002712600000000, -0.0004648000000000, -0.0001348400000000 ] - [ 0.0600595900000000, -0.0176046800000000, 0.0312556300000000 ] - [ -0.0035107100000000, -0.0009729200000000, -0.0000201500000000 ] - [ -0.0001093300000000, 0.0000884100000000, -0.0002737200000000 ] - [ -0.0000480900000000, -0.0000644200000000, -0.0003253200000000 ] - [ 0.0679539200000000, -0.0206159500000000, -0.0492147000000000 ] - [ 0.1022861900000000, -0.0871291600000000, -0.0050068400000000 ] - [ -0.0000250000000000, -0.0002821600000000, -0.0000319700000000 ] - [ -0.0000649700000000, 0.0003543400000000, -0.0000176200000000 ] - [ -0.0000085600000000, 0.0002542700000000, 0.0000821400000000 ] - [ 0.0005311300000000, 0.0014435500000000, 0.0020124700000000 ] - [ -0.0010254800000000, -0.0001235800000000, -0.0000417900000000 ] - [ 0.0000050100000000, -0.0001406200000000, 0.0002986900000000 ] - [ 0.0012081800000000, -0.0008592700000000, 0.0018372400000000 ] - [ -0.0004616300000000, 0.0012262300000000, 0.0002685100000000 ] - [ -0.0003318900000000, -0.0003288800000000, -0.0003306300000000 ] - [ -0.0011030000000000, -0.0001385400000000, 0.0000179300000000 ] - [ -0.0005276300000000, -0.0000019500000000, -0.0000826700000000 ] - [ -0.0002753300000000, 0.0002353100000000, 0.0006091000000000 ] - [ 0.0002250800000000, -0.0004639900000000, -0.0004348200000000 ] - [ 0.0009016500000000, -0.0003136200000000, 0.0001997400000000 ] - [ -0.0003580400000000, -0.0000746600000000, 0.0000775900000000 ] - [ 0.0007453900000000, 0.0011560900000000, -0.0026002600000000 ] - [ -0.0008761200000000, -0.0006403200000000, 0.0004297100000000 ] - [ -0.0003821800000000, 0.0004422500000000, -0.0001230100000000 ] - [ 0.0009441800000000, -0.0015389100000000, -0.0009258000000000 ] - [ -0.0001235800000000, 0.0011709300000000, -0.0013962500000000 ] - [ 0.0002126000000000, 0.0002161800000000, 0.0001801000000000 ] - [ -0.0012117100000000, -0.0003845900000000, -0.0001265400000000 ] - [ -0.0005696500000000, -0.0002891900000000, 0.0006178500000000 ] - [ -0.0002116300000000, 0.0003443500000000, -0.0004164400000000 ] - [ -0.0002998700000000, -0.0008456700000000, 0.0009002300000000 ] - [ 0.0014312200000000, 0.0000195200000000, -0.0000725000000000 ] - [ 0.0040259300000000, 0.0035169400000000, 0.0001667400000000 ] - [ 0.0008292200000000, 0.0009706300000000, 0.0003975900000000 ] - [ 0.0008177600000000, -0.0010053300000000, 0.0003872000000000 ] - [ -0.0109606400000000, -0.0071723300000000, 0.0000558000000000 ] - [ 0.0088345700000000, 0.0019529900000000, -0.0151199100000000 ] - [ 0.0004124000000000, -0.0002475200000000, -0.0007763000000000 ] - [ 0.0001887500000000, -0.0000078400000000, -0.0004775200000000 ] - [ -0.0022936100000000, 0.0062623400000000, 0.0014599700000000 ] - [ -0.0000974700000000, 0.0005537300000000, -0.0001897100000000 ] - [ -0.0004464300000000, -0.0037532800000000, -0.0025093000000000 ] - [ 0.0006914500000000, -0.0005093900000000, 0.0006698500000000 ] - [ 0.0003991400000000, 0.0001784200000000, -0.0004970300000000 ] - [ 0.0066298500000000, 0.0019128800000000, 0.0157394100000000 ] - [ 0.0006471600000000, -0.0002175400000000, 0.0005693400000000 ] - [ -0.0013251600000000, 0.0057277300000000, -0.0010411900000000 ] - [ 0.0002563700000000, -0.0000435500000000, 0.0002121700000000 ] - [ -0.0003214800000000, 0.0004065200000000, -0.0002356000000000 ] - [ -0.0005405400000000, -0.0055478300000000, 0.0045731700000000 ] - [ 0.0013235500000000, -0.0011963700000000, -0.0010495300000000 ] - [ 0.0003002300000000, 0.0005585400000000, 0.0003101100000000 ] - [ -0.0002089200000000, -0.0006530800000000, 0.0001445000000000 ] - [ 0.0370373800000000, -0.0204742000000000, -0.0003992000000000 ] - [ 0.0041675600000000, -0.0156211800000000, 0.0012904400000000 ] - [ -0.0002306300000000, 0.0006820900000000, 0.0001573300000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003031300000000, -0.0012468900000000, -0.0019101100000000 ] - [ 0.2680067900000000, -0.1451491500000000, -0.0194889200000000 ] - [ 0.0008412300000000, -0.0001332400000000, 0.0004568600000000 ] - [ 0.0008447500000000, 0.0001868700000000, 0.0004690400000000 ] - [ -0.0048897200000000, -0.0056143100000000, 0.0009269100000000 ] - [ 0.0000448700000000, 0.0001925600000000, 0.0000005400000000 ] - [ 0.0045677300000000, -0.0087426200000000, 0.0001137600000000 ] - [ 0.0013369200000000, 0.0042043700000000, -0.0000741000000000 ] - [ 0.0000124500000000, -0.0002238200000000, 0.0000126600000000 ] - [ -0.0011640900000000, -0.0013595100000000, 0.0000330600000000 ] - [ -0.0000458800000000, 0.0007271400000000, 0.0003287500000000 ] - [ -0.0002263000000000, -0.0000802400000000, -0.0000084600000000 ] - [ -0.0006843700000000, 0.0011616200000000, 0.0013870400000000 ] - [ -0.0008628600000000, -0.0002926900000000, 0.0002739900000000 ] - [ 0.0000089100000000, -0.0002565200000000, -0.0003970800000000 ] - [ -0.0005131500000000, 0.0012952100000000, 0.0001684400000000 ] - [ 0.0011073400000000, 0.0002537100000000, 0.0006005200000000 ] - [ -0.0025423500000000, -0.0002820900000000, -0.0034411500000000 ] - [ 0.0002665100000000, -0.0031220900000000, -0.0006695900000000 ] - [ 0.0002202500000000, 0.0004621100000000, -0.0005096800000000 ] - [ 0.0073905800000000, 0.0048556400000000, 0.0001954400000000 ] - [ 0.0000470800000000, 0.0003182500000000, 0.0001345500000000 ] - [ 0.0001256600000000, -0.0032156600000000, 0.0005162200000000 ] - [ -0.0026456400000000, -0.0008907800000000, 0.0030054000000000 ] - [ 0.0000511000000000, -0.0002099400000000, 0.0001753100000000 ] - [ 0.0026845200000000, 0.0003733900000000, -0.0000524900000000 ] - [ 0.0002655400000000, 0.0003904800000000, -0.0001677800000000 ] - [ 0.0002178600000000, -0.0003982000000000, -0.0001929700000000 ] - [ -0.0602611500000000, 0.0188138500000000, -0.0320290900000000 ] - [ 0.0037203300000000, 0.0009926900000000, -0.0006666800000000 ] - [ -0.0000762900000000, -0.0000568600000000, -0.0003916500000000 ] - [ -0.0001361500000000, 0.0000327000000000, -0.0003400400000000 ] - [ -0.0674415700000000, 0.0211504900000000, 0.0494871000000000 ] - [ -0.1008587100000000, 0.0831784700000000, 0.0047267800000000 ] - [ -0.0000861100000000, -0.0003464500000000, -0.0000419700000000 ] - [ -0.0000459500000000, 0.0002744400000000, -0.0000562300000000 ] - [ -0.0000987800000000, -0.0001066700000000, 0.0002057500000000 ] - [ -0.0004120000000000, -0.0015827400000000, -0.0017239200000000 ] - [ 0.0011067600000000, 0.0002647700000000, 0.0003559900000000 ] - [ -0.0001110800000000, -0.0000041700000000, -0.0000104300000000 ] - [ -0.0005037800000000, -0.0003777000000000, -0.0024048600000000 ] - [ -0.0002374900000000, 0.0000208700000000, -0.0008269200000000 ] - [ -0.0003596100000000, -0.0009090600000000, -0.0002409600000000 ] - [ 0.0017782100000000, 0.0013739200000000, -0.0005720500000000 ] - [ -0.0000089500000000, -0.0000777200000000, 0.0000211100000000 ] - [ 0.0008121300000000, -0.0001547200000000, -0.0006667800000000 ] - [ 0.0002673600000000, -0.0003104000000000, -0.0005187800000000 ] - [ -0.0014204700000000, 0.0003890700000000, -0.0002609200000000 ] - [ -0.0004753300000000, -0.0009256100000000, -0.0001696000000000 ] - [ 0.0000934000000000, -0.0001489700000000, 0.0025128800000000 ] - [ 0.0016827800000000, -0.0003667300000000, -0.0005477200000000 ] - [ -0.0004503400000000, 0.0005649500000000, 0.0000321800000000 ] - [ -0.0012639500000000, 0.0011784200000000, 0.0009823900000000 ] - [ 0.0004421800000000, -0.0007980500000000, 0.0014244000000000 ] - [ 0.0001199200000000, -0.0005720400000000, -0.0001196700000000 ] - [ 0.0008689400000000, 0.0007443500000000, 0.0001684100000000 ] - [ 0.0002521000000000, -0.0008918100000000, -0.0000652700000000 ] - [ 0.0005251100000000, 0.0008379500000000, 0.0009637700000000 ] - [ 0.0005924000000000, -0.0003384500000000, -0.0003522700000000 ] - [ -0.0017223000000000, 0.0011536300000000, 0.0006230000000000 ] - [ -0.0056897000000000, -0.0054135000000000, 0.0005884600000000 ] - [ 0.0008188500000000, 0.0009365700000000, 0.0003544000000000 ] - [ 0.0008297600000000, -0.0009027700000000, 0.0003650100000000 ] - [ 0.0091060000000000, 0.0088041900000000, 0.0006884100000000 ] - [ -0.0093686300000000, -0.0016692200000000, 0.0137139100000000 ] - [ 0.0001895300000000, -0.0000668900000000, -0.0003833000000000 ] - [ 0.0004085800000000, 0.0003224000000000, -0.0006821300000000 ] - [ 0.0017430800000000, -0.0065982100000000, -0.0026661700000000 ] - [ 0.0004638200000000, -0.0005984700000000, -0.0001120200000000 ] - [ 0.0000776500000000, 0.0037795200000000, 0.0021898400000000 ] - [ -0.0010601500000000, 0.0004635100000000, -0.0009618600000000 ] - [ -0.0000293500000000, -0.0001318400000000, 0.0001877200000000 ] - [ -0.0075036600000000, -0.0016040400000000, -0.0147217100000000 ] - [ 0.0002776700000000, -0.0001197600000000, 0.0002026200000000 ] - [ 0.0004426200000000, -0.0060822600000000, 0.0018490200000000 ] - [ 0.0006613100000000, 0.0003813000000000, 0.0005589300000000 ] - [ 0.0003580500000000, -0.0009579100000000, 0.0003660000000000 ] - [ 0.0004988200000000, 0.0060663600000000, -0.0044018300000000 ] - [ -0.0013597100000000, 0.0006441900000000, 0.0011585000000000 ] - [ -0.0002609000000000, -0.0000070900000000, -0.0001687600000000 ] - [ -0.0002495000000000, -0.0007967800000000, 0.0002736100000000 ] - [ -0.0368381700000000, 0.0223949300000000, 0.0008472700000000 ] - [ -0.0037430300000000, 0.0141826700000000, -0.0008912300000000 ] - [ -0.0002271500000000, 0.0007670700000000, 0.0002612000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006223400000000, -0.0013597600000000, -0.0029551500000000 ] - [ 0.1431250400000000, -0.3661024500000000, -0.0036212000000000 ] - [ 0.0008159300000000, -0.0000659700000000, 0.0002665400000000 ] - [ 0.0008690700000000, 0.0002686500000000, 0.0003119700000000 ] - [ -0.0062461000000000, -0.0008542600000000, 0.0012488500000000 ] - [ 0.0000733100000000, 0.0001404000000000, -0.0001963300000000 ] - [ 0.0046806300000000, 0.0092524700000000, 0.0008109500000000 ] - [ 0.0028072600000000, 0.0085189500000000, 0.0002683000000000 ] - [ -0.0000150700000000, -0.0002567600000000, -0.0001653400000000 ] - [ -0.0027871500000000, -0.0030123300000000, -0.0020775500000000 ] - [ -0.0001865200000000, 0.0006460700000000, 0.0004694800000000 ] - [ -0.0004564000000000, -0.0001077300000000, -0.0003182300000000 ] - [ -0.0009327800000000, 0.0015485500000000, 0.0021575400000000 ] - [ -0.0014621900000000, -0.0017709200000000, 0.0020662300000000 ] - [ 0.0002449500000000, -0.0002030600000000, -0.0010059700000000 ] - [ -0.0007878100000000, 0.0013325400000000, 0.0004177600000000 ] - [ 0.0013544100000000, 0.0001868800000000, 0.0021592800000000 ] - [ -0.0021167100000000, -0.0057129300000000, -0.0009340000000000 ] - [ -0.0000622500000000, -0.0055946800000000, -0.0013770200000000 ] - [ 0.0002045700000000, 0.0005132200000000, -0.0003448800000000 ] - [ 0.0023288300000000, 0.0060815800000000, 0.0000341000000000 ] - [ 0.0000597000000000, 0.0004297400000000, 0.0002937800000000 ] - [ -0.0006888000000000, -0.0054926500000000, 0.0006439300000000 ] - [ -0.0012823300000000, -0.0060709700000000, 0.0002013800000000 ] - [ 0.0000633400000000, -0.0001313000000000, 0.0003597000000000 ] - [ 0.0037214100000000, -0.0030591300000000, -0.0024565900000000 ] - [ 0.0002450200000000, 0.0003216100000000, 0.0000074900000000 ] - [ 0.0002257800000000, -0.0003576600000000, -0.0000336500000000 ] - [ -0.0206926700000000, 0.0852404900000000, -0.0628052900000000 ] - [ 0.0049556500000000, -0.0020052400000000, 0.0013647700000000 ] - [ -0.0000804400000000, -0.0000922300000000, -0.0002825200000000 ] - [ -0.0001284600000000, -0.0000467200000000, -0.0001449500000000 ] - [ -0.0212671500000000, 0.0785289000000000, 0.0597076100000000 ] - [ -0.0812556400000000, 0.1789268900000000, 0.0072232600000000 ] - [ -0.0001032600000000, -0.0004233200000000, 0.0000634600000000 ] - [ -0.0000376900000000, 0.0001878800000000, 0.0000310000000000 ] - [ -0.0000719800000000, 0.0000328200000000, 0.0004598000000000 ] - [ -0.0001787900000000, -0.0031370800000000, -0.0023353700000000 ] - [ 0.0028177400000000, -0.0006691100000000, 0.0025180200000000 ] - [ -0.0000964400000000, 0.0000790300000000, 0.0000321200000000 ] - [ 0.0000119100000000, 0.0003298800000000, -0.0036624300000000 ] - [ -0.0003357900000000, -0.0000974300000000, -0.0003509600000000 ] - [ -0.0002039500000000, -0.0010042000000000, -0.0003512000000000 ] - [ 0.0019523600000000, 0.0030596500000000, -0.0007225300000000 ] - [ -0.0002012400000000, -0.0004489700000000, 0.0006698400000000 ] - [ 0.0011556500000000, -0.0004205600000000, -0.0009319200000000 ] - [ 0.0002567700000000, -0.0001961100000000, -0.0003446200000000 ] - [ -0.0012348900000000, 0.0005965900000000, -0.0002837700000000 ] - [ -0.0004288400000000, -0.0008164700000000, -0.0002499900000000 ] - [ 0.0004380300000000, -0.0012305200000000, 0.0033789200000000 ] - [ 0.0023332000000000, -0.0005190600000000, -0.0029570100000000 ] - [ -0.0005046700000000, 0.0006797100000000, 0.0004107600000000 ] - [ -0.0008861800000000, 0.0018912200000000, 0.0019856400000000 ] - [ 0.0003635600000000, -0.0011490600000000, 0.0008214000000000 ] - [ 0.0001736300000000, -0.0009423000000000, 0.0001012100000000 ] - [ 0.0008858000000000, 0.0019798400000000, 0.0003102300000000 ] - [ -0.0000778400000000, -0.0016178100000000, -0.0006533700000000 ] - [ 0.0008872100000000, 0.0007763800000000, 0.0014800000000000 ] - [ 0.0002956100000000, -0.0001493200000000, -0.0011698100000000 ] - [ -0.0020817700000000, 0.0012947700000000, 0.0013507100000000 ] - [ -0.0070087600000000, -0.0098852200000000, 0.0005415900000000 ] - [ 0.0008300100000000, 0.0009404800000000, 0.0004376900000000 ] - [ 0.0007994500000000, -0.0008509500000000, 0.0004807200000000 ] - [ -0.0018235100000000, 0.0037373700000000, 0.0002560500000000 ] - [ -0.0023578700000000, -0.0104581000000000, 0.0059608500000000 ] - [ 0.0002496800000000, 0.0001263400000000, -0.0003900200000000 ] - [ 0.0003292500000000, 0.0004605100000000, -0.0009248900000000 ] - [ 0.0075714100000000, -0.0004637000000000, 0.0110281600000000 ] - [ 0.0006859800000000, -0.0011674700000000, -0.0004461100000000 ] - [ -0.0000724600000000, 0.0051227600000000, 0.0036896200000000 ] - [ -0.0007080800000000, 0.0023487200000000, -0.0005167100000000 ] - [ -0.0000958400000000, -0.0004825100000000, 0.0001780300000000 ] - [ -0.0017008900000000, -0.0099050000000000, -0.0058034400000000 ] - [ 0.0003208300000000, 0.0001902600000000, -0.0002138400000000 ] - [ 0.0054180700000000, -0.0014696800000000, -0.0089416200000000 ] - [ 0.0005793700000000, 0.0005690800000000, 0.0005109700000000 ] - [ 0.0005886200000000, -0.0014985500000000, 0.0000689900000000 ] - [ 0.0006378800000000, 0.0126591500000000, -0.0085650800000000 ] - [ -0.0008068100000000, 0.0041037500000000, 0.0007283500000000 ] - [ -0.0003354200000000, -0.0004268400000000, -0.0005363900000000 ] - [ -0.0002904600000000, -0.0008328500000000, -0.0000315100000000 ] - [ -0.0264810700000000, 0.0079813900000000, 0.0024598700000000 ] - [ -0.0059573300000000, 0.0307509700000000, -0.0009388000000000 ] - [ -0.0002042700000000, 0.0007234800000000, 0.0000731300000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010291900000000, 0.0005920000000000, 0.0025476900000000 ] - [ -0.1511167900000000, 0.3772608700000000, 0.0066006300000000 ] - [ 0.0008358900000000, -0.0002142500000000, 0.0005890200000000 ] - [ 0.0007823800000000, 0.0000100400000000, 0.0005433500000000 ] - [ 0.0045472900000000, 0.0005789000000000, -0.0003967500000000 ] - [ -0.0000542300000000, 0.0003787300000000, 0.0000594300000000 ] - [ -0.0046792200000000, -0.0097070300000000, -0.0009519300000000 ] - [ -0.0028472800000000, -0.0080276700000000, -0.0004091800000000 ] - [ 0.0000348000000000, -0.0002614300000000, 0.0000282000000000 ] - [ 0.0031580900000000, 0.0019576500000000, 0.0025423500000000 ] - [ -0.0001547300000000, 0.0004182200000000, -0.0000272700000000 ] - [ 0.0001166100000000, -0.0009594200000000, 0.0007655900000000 ] - [ 0.0012848900000000, -0.0004960800000000, -0.0017166600000000 ] - [ 0.0018804400000000, 0.0025467700000000, -0.0025066800000000 ] - [ -0.0006448400000000, -0.0005687300000000, 0.0005894900000000 ] - [ 0.0003927800000000, -0.0005674200000000, -0.0008414100000000 ] - [ -0.0008135200000000, -0.0002563800000000, -0.0022503400000000 ] - [ 0.0016272300000000, 0.0064734000000000, 0.0000099800000000 ] - [ -0.0004175300000000, 0.0048369200000000, 0.0004533800000000 ] - [ 0.0002868400000000, 0.0002574700000000, -0.0005941400000000 ] - [ -0.0022058600000000, -0.0067108800000000, -0.0001103800000000 ] - [ 0.0000710800000000, 0.0001482800000000, 0.0002004700000000 ] - [ 0.0005709100000000, 0.0049249400000000, -0.0001574000000000 ] - [ 0.0011485500000000, 0.0066295000000000, 0.0002919100000000 ] - [ 0.0000675900000000, -0.0004489300000000, 0.0001341900000000 ] - [ -0.0041895400000000, 0.0021766400000000, 0.0021268500000000 ] - [ 0.0002440800000000, 0.0005431200000000, -0.0003252700000000 ] - [ 0.0002633200000000, -0.0005067800000000, -0.0002838400000000 ] - [ 0.0191382400000000, -0.0836221400000000, 0.0596555900000000 ] - [ -0.0047602500000000, 0.0019444300000000, -0.0020016500000000 ] - [ -0.0000983200000000, 0.0001371700000000, -0.0003709600000000 ] - [ -0.0000501100000000, 0.0000027700000000, -0.0005093700000000 ] - [ 0.0208261100000000, -0.0787476800000000, -0.0590229600000000 ] - [ 0.0897216200000000, -0.1895382000000000, -0.0079155500000000 ] - [ -0.0000060300000000, -0.0002008100000000, -0.0001371400000000 ] - [ -0.0000721900000000, 0.0004377500000000, -0.0001045300000000 ] - [ -0.0000453700000000, 0.0000997200000000, -0.0001841200000000 ] - [ 0.0002973000000000, 0.0030203900000000, 0.0026231100000000 ] - [ -0.0027412400000000, 0.0008217500000000, -0.0022506500000000 ] - [ -0.0000213100000000, -0.0002130100000000, 0.0002469900000000 ] - [ 0.0006630700000000, -0.0015365200000000, 0.0031147600000000 ] - [ -0.0003424900000000, 0.0013102900000000, -0.0002211600000000 ] - [ -0.0004757000000000, -0.0002029700000000, -0.0002190300000000 ] - [ -0.0012817500000000, -0.0018629000000000, 0.0001533200000000 ] - [ -0.0003498800000000, 0.0003779100000000, -0.0007465900000000 ] - [ -0.0006114700000000, 0.0004946900000000, 0.0008642300000000 ] - [ 0.0002344700000000, -0.0005769300000000, -0.0005942600000000 ] - [ 0.0006886300000000, -0.0005246300000000, 0.0002144400000000 ] - [ -0.0004067800000000, -0.0001831500000000, 0.0001580500000000 ] - [ 0.0003936400000000, 0.0022352800000000, -0.0034868800000000 ] - [ -0.0015349300000000, -0.0004615200000000, 0.0028736000000000 ] - [ -0.0003312900000000, 0.0003195500000000, -0.0005072600000000 ] - [ 0.0005470100000000, -0.0022380000000000, -0.0019419500000000 ] - [ -0.0000243300000000, 0.0014913100000000, -0.0007690500000000 ] - [ 0.0001666200000000, 0.0006092400000000, -0.0000446400000000 ] - [ -0.0012307400000000, -0.0016510200000000, -0.0002500700000000 ] - [ -0.0002401200000000, 0.0004395100000000, 0.0012112300000000 ] - [ -0.0005758600000000, 0.0004052600000000, -0.0009356100000000 ] - [ 0.0000181400000000, -0.0010320400000000, 0.0017333100000000 ] - [ 0.0017733700000000, -0.0001133700000000, -0.0008042500000000 ] - [ 0.0053945200000000, 0.0080464700000000, 0.0002076400000000 ] - [ 0.0008048600000000, 0.0009559000000000, 0.0003138800000000 ] - [ 0.0008357500000000, -0.0010462400000000, 0.0002707800000000 ] - [ 0.0001326500000000, -0.0018783600000000, 0.0004930400000000 ] - [ 0.0017186800000000, 0.0107970300000000, -0.0070893700000000 ] - [ 0.0003511600000000, -0.0004465800000000, -0.0007708100000000 ] - [ 0.0002715500000000, -0.0001447300000000, -0.0002323300000000 ] - [ -0.0082626900000000, 0.0001294700000000, -0.0122957300000000 ] - [ -0.0003223300000000, 0.0011288200000000, 0.0001374900000000 ] - [ -0.0003060200000000, -0.0050947500000000, -0.0039702100000000 ] - [ 0.0003458700000000, -0.0023974400000000, 0.0002146800000000 ] - [ 0.0004645500000000, 0.0005328700000000, -0.0004886000000000 ] - [ 0.0007318000000000, 0.0102714400000000, 0.0065425500000000 ] - [ 0.0006019100000000, -0.0005325800000000, 0.0009862700000000 ] - [ -0.0064129700000000, 0.0011303700000000, 0.0097969800000000 ] - [ 0.0003427700000000, -0.0002321000000000, 0.0002571700000000 ] - [ -0.0005572400000000, 0.0009533800000000, 0.0000651500000000 ] - [ -0.0007007000000000, -0.0121468900000000, 0.0086691900000000 ] - [ 0.0007786100000000, -0.0046644700000000, -0.0006007400000000 ] - [ 0.0003731700000000, 0.0009871500000000, 0.0006730200000000 ] - [ -0.0001709200000000, -0.0006097700000000, 0.0004417200000000 ] - [ 0.0268455900000000, -0.0066297800000000, -0.0020379900000000 ] - [ 0.0065109600000000, -0.0322795600000000, 0.0013377700000000 ] - [ -0.0002580000000000, 0.0007198000000000, 0.0003361600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0016204400000000, -0.0036713700000000, -0.0005157700000000 ] - [ 0.0236144100000000, -0.0115985200000000, -0.4331899700000000 ] - [ 0.0008398300000000, 0.0000219700000000, 0.0032106700000000 ] - [ 0.0008521600000000, 0.0000240500000000, 0.0029644700000000 ] - [ -0.0013264900000000, -0.0009601700000000, -0.0026832100000000 ] - [ 0.0000260500000000, 0.0004486400000000, 0.0028147500000000 ] - [ -0.0007161800000000, 0.0007904200000000, -0.0119338200000000 ] - [ 0.0001490200000000, 0.0001355100000000, -0.0065829700000000 ] - [ 0.0000106000000000, -0.0004403600000000, 0.0026840600000000 ] - [ 0.0024876200000000, -0.0013918200000000, 0.0028586800000000 ] - [ 0.0016515400000000, 0.0009557900000000, 0.0026982600000000 ] - [ 0.0003868800000000, 0.0003605600000000, 0.0013235100000000 ] - [ -0.0011294700000000, 0.0031127800000000, 0.0002078100000000 ] - [ -0.0011339300000000, 0.0004884400000000, 0.0031906100000000 ] - [ -0.0023151000000000, -0.0003969800000000, 0.0030209700000000 ] - [ -0.0003100800000000, -0.0017370300000000, 0.0010909800000000 ] - [ -0.0010201800000000, 0.0003633700000000, -0.0030184900000000 ] - [ 0.0039619700000000, 0.0023161200000000, 0.0049459700000000 ] - [ -0.0028336100000000, 0.0016777400000000, 0.0050734500000000 ] - [ 0.0002441000000000, 0.0008543900000000, -0.0032164700000000 ] - [ 0.0011313200000000, 0.0005398900000000, 0.0061736800000000 ] - [ -0.0000563300000000, -0.0000516400000000, -0.0022395400000000 ] - [ 0.0012489500000000, -0.0023585000000000, 0.0050759400000000 ] - [ -0.0035377700000000, -0.0023170000000000, 0.0055716000000000 ] - [ -0.0002029500000000, -0.0001053400000000, -0.0023679700000000 ] - [ -0.0007310900000000, 0.0011410700000000, 0.0036250300000000 ] - [ 0.0002652300000000, 0.0011467800000000, -0.0025298800000000 ] - [ 0.0002132800000000, -0.0012996300000000, -0.0028483100000000 ] - [ 0.0273186300000000, -0.0528549500000000, 0.1632748300000000 ] - [ 0.0012721900000000, -0.0004807600000000, 0.0033371900000000 ] - [ -0.0001770400000000, -0.0001827300000000, -0.0025871300000000 ] - [ -0.0000928000000000, 0.0002755300000000, -0.0028821900000000 ] - [ -0.0459693400000000, 0.0581611000000000, 0.2064575000000000 ] - [ -0.0049573800000000, 0.0084498400000000, 0.0552314400000000 ] - [ -0.0000341200000000, -0.0003682800000000, -0.0017547400000000 ] - [ -0.0000331200000000, 0.0003530000000000, -0.0016363900000000 ] - [ -0.0000159300000000, -0.0002756100000000, -0.0018764100000000 ] - [ 0.0012390500000000, 0.0004972200000000, 0.0019671200000000 ] - [ -0.0039553000000000, 0.0024744700000000, 0.0008954100000000 ] - [ -0.0004198400000000, 0.0003131000000000, -0.0024570000000000 ] - [ 0.0014940100000000, -0.0038803700000000, -0.0022046400000000 ] - [ -0.0000893100000000, -0.0004099700000000, -0.0025552700000000 ] - [ -0.0008089700000000, -0.0014785500000000, -0.0015624300000000 ] - [ -0.0001652200000000, -0.0002136100000000, -0.0020351600000000 ] - [ -0.0000953000000000, 0.0005124100000000, -0.0017325300000000 ] - [ 0.0011174600000000, -0.0008759100000000, -0.0011155600000000 ] - [ 0.0004552600000000, -0.0006366600000000, -0.0033335600000000 ] - [ -0.0020696300000000, -0.0004419600000000, -0.0036014200000000 ] - [ -0.0004583400000000, 0.0005859700000000, -0.0026354100000000 ] - [ -0.0005784000000000, 0.0009545800000000, 0.0021675000000000 ] - [ 0.0040403100000000, -0.0026745700000000, -0.0002234400000000 ] - [ -0.0000833000000000, -0.0000934300000000, -0.0032252300000000 ] - [ -0.0013523900000000, 0.0031938900000000, -0.0033037600000000 ] - [ -0.0007271300000000, 0.0024566100000000, -0.0041258700000000 ] - [ 0.0007294800000000, 0.0005997300000000, -0.0013495900000000 ] - [ -0.0001193300000000, 0.0013089100000000, -0.0024231500000000 ] - [ -0.0004667500000000, -0.0009096500000000, -0.0009137300000000 ] - [ -0.0008241900000000, 0.0016179500000000, -0.0009322700000000 ] - [ 0.0003739400000000, -0.0008263500000000, -0.0026510200000000 ] - [ 0.0025757700000000, 0.0010520200000000, -0.0035008200000000 ] - [ -0.0011648500000000, -0.0009050700000000, 0.0042976900000000 ] - [ 0.0008617800000000, 0.0010636500000000, -0.0012468600000000 ] - [ 0.0008498000000000, -0.0010752800000000, -0.0014060400000000 ] - [ 0.0001652100000000, 0.0006890300000000, 0.0066878900000000 ] - [ -0.0155158400000000, 0.0040230400000000, 0.0038252300000000 ] - [ 0.0001979400000000, 0.0001057700000000, 0.0022825900000000 ] - [ 0.0005009200000000, 0.0003167300000000, 0.0018876400000000 ] - [ 0.0057542800000000, 0.0120601200000000, 0.0018834000000000 ] - [ -0.0000568000000000, 0.0005137100000000, 0.0037338400000000 ] - [ -0.0009094000000000, 0.0086437200000000, 0.0060822900000000 ] - [ -0.0002656000000000, 0.0009835500000000, -0.0011313600000000 ] - [ 0.0003869500000000, 0.0005279400000000, 0.0026227400000000 ] - [ 0.0164739300000000, -0.0041221000000000, 0.0068760000000000 ] - [ 0.0007099600000000, -0.0003024500000000, 0.0036914500000000 ] - [ -0.0061936100000000, -0.0121269100000000, 0.0031347100000000 ] - [ 0.0000804400000000, -0.0001072900000000, 0.0032280200000000 ] - [ 0.0003048800000000, -0.0007678800000000, 0.0058709300000000 ] - [ 0.0014246500000000, -0.0151645200000000, 0.0120881300000000 ] - [ -0.0000410800000000, -0.0020129500000000, -0.0016509200000000 ] - [ -0.0002031700000000, -0.0006533100000000, 0.0042461100000000 ] - [ -0.0001471700000000, -0.0005827800000000, 0.0045800500000000 ] - [ -0.0038357700000000, 0.0044310100000000, -0.0327620400000000 ] - [ 0.0002560800000000, -0.0003793100000000, -0.0052624100000000 ] - [ -0.0001467200000000, 0.0005894200000000, 0.0043246200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012096800000000, 0.0028602700000000, 0.0000796300000000 ] - [ -0.0159690400000000, -0.0013739900000000, 0.4316060600000000 ] - [ 0.0008111700000000, -0.0003004500000000, -0.0023523600000000 ] - [ 0.0007996300000000, 0.0002553800000000, -0.0021065900000000 ] - [ -0.0003553300000000, 0.0006855300000000, 0.0035354400000000 ] - [ -0.0000069300000000, 0.0000711100000000, -0.0029487300000000 ] - [ 0.0006841100000000, -0.0013513300000000, 0.0117922800000000 ] - [ -0.0001620500000000, 0.0004023100000000, 0.0064443500000000 ] - [ 0.0000081700000000, -0.0000796900000000, -0.0028181900000000 ] - [ -0.0021389600000000, 0.0003420900000000, -0.0024029900000000 ] - [ -0.0019834700000000, 0.0001163500000000, -0.0022507600000000 ] - [ -0.0007282300000000, -0.0014310500000000, -0.0008807100000000 ] - [ 0.0014787500000000, -0.0020866800000000, 0.0002545800000000 ] - [ 0.0015374400000000, 0.0002946300000000, -0.0036272100000000 ] - [ 0.0019215700000000, -0.0003693700000000, -0.0034408500000000 ] - [ -0.0000883200000000, 0.0024966200000000, -0.0015067600000000 ] - [ 0.0015692100000000, -0.0004455700000000, 0.0029358700000000 ] - [ -0.0044564500000000, -0.0015576200000000, -0.0059039900000000 ] - [ 0.0023419000000000, -0.0024602100000000, -0.0060167700000000 ] - [ 0.0002466100000000, -0.0000815100000000, 0.0022738200000000 ] - [ -0.0010115600000000, -0.0011467200000000, -0.0062436300000000 ] - [ 0.0001866000000000, 0.0006309000000000, 0.0027317900000000 ] - [ -0.0013779300000000, 0.0017678400000000, -0.0045702900000000 ] - [ 0.0033989400000000, 0.0028718200000000, -0.0050447400000000 ] - [ 0.0003338500000000, -0.0004733700000000, 0.0028599400000000 ] - [ 0.0002643500000000, -0.0020129000000000, -0.0039580400000000 ] - [ 0.0002240000000000, -0.0002812600000000, 0.0022101200000000 ] - [ 0.0002761600000000, 0.0004327000000000, 0.0025271600000000 ] - [ -0.0314739600000000, 0.0600159300000000, -0.1733539500000000 ] - [ -0.0010697900000000, 0.0004325600000000, -0.0039677200000000 ] - [ -0.0000016400000000, 0.0002270400000000, 0.0019310000000000 ] - [ -0.0000855000000000, -0.0003205900000000, 0.0022262800000000 ] - [ 0.0410194900000000, -0.0523058800000000, -0.1950592700000000 ] - [ 0.0042684900000000, -0.0064745600000000, -0.0551537200000000 ] - [ -0.0000750200000000, -0.0002573400000000, 0.0016795200000000 ] - [ -0.0000767000000000, 0.0002714700000000, 0.0015613600000000 ] - [ -0.0000991200000000, 0.0004124500000000, 0.0021523900000000 ] - [ -0.0011176700000000, -0.0006099500000000, -0.0017052800000000 ] - [ 0.0040509500000000, -0.0023411600000000, -0.0006294200000000 ] - [ 0.0002998100000000, -0.0004473200000000, 0.0027317700000000 ] - [ -0.0008297500000000, 0.0027133200000000, 0.0016511100000000 ] - [ -0.0005916500000000, 0.0016227800000000, 0.0019881500000000 ] - [ 0.0001255300000000, 0.0002624300000000, 0.0009943000000000 ] - [ 0.0008409000000000, 0.0014182400000000, 0.0014679300000000 ] - [ -0.0004526500000000, -0.0005777600000000, 0.0016597100000000 ] - [ -0.0005738000000000, 0.0009589700000000, 0.0010390300000000 ] - [ 0.0000369700000000, -0.0001354100000000, 0.0023911800000000 ] - [ 0.0015095600000000, 0.0005034400000000, 0.0035169600000000 ] - [ -0.0003754200000000, -0.0015800100000000, 0.0025367500000000 ] - [ 0.0014107400000000, 0.0000615600000000, -0.0022374600000000 ] - [ -0.0032303000000000, 0.0016768200000000, 0.0001458300000000 ] - [ -0.0007536000000000, 0.0010911700000000, 0.0031284000000000 ] - [ 0.0009976700000000, -0.0034904600000000, 0.0033302300000000 ] - [ 0.0010600600000000, -0.0021129900000000, 0.0041618200000000 ] - [ -0.0003925700000000, -0.0009422300000000, 0.0014020300000000 ] - [ -0.0002283800000000, -0.0009752100000000, 0.0024773900000000 ] - [ 0.0001517300000000, -0.0002664900000000, 0.0014632200000000 ] - [ 0.0011330200000000, -0.0004233000000000, 0.0014840800000000 ] - [ -0.0000538000000000, -0.0003618100000000, 0.0032072000000000 ] - [ -0.0028977100000000, 0.0001187500000000, 0.0040588700000000 ] - [ -0.0005036900000000, -0.0010216700000000, -0.0035423500000000 ] - [ 0.0007737200000000, 0.0008338100000000, 0.0019967000000000 ] - [ 0.0007854200000000, -0.0008222600000000, 0.0021560700000000 ] - [ -0.0017502300000000, 0.0012349900000000, -0.0059311100000000 ] - [ 0.0150933800000000, -0.0037284300000000, -0.0049976900000000 ] - [ 0.0004027900000000, -0.0004224500000000, -0.0034412200000000 ] - [ 0.0000994600000000, 0.0000003500000000, -0.0030457600000000 ] - [ -0.0064205100000000, -0.0124914600000000, -0.0030316500000000 ] - [ 0.0004226500000000, -0.0005578600000000, -0.0040504300000000 ] - [ 0.0005262900000000, -0.0085448800000000, -0.0063611000000000 ] - [ -0.0001018300000000, -0.0010304400000000, 0.0008060300000000 ] - [ -0.0000187700000000, -0.0004830800000000, -0.0029308800000000 ] - [ -0.0171785600000000, 0.0044372600000000, -0.0060680300000000 ] - [ 0.0002132100000000, -0.0000354600000000, -0.0029176300000000 ] - [ 0.0052087500000000, 0.0116899400000000, -0.0023766500000000 ] - [ 0.0008404000000000, 0.0004461700000000, -0.0024542100000000 ] - [ -0.0002718200000000, 0.0002186600000000, -0.0057156800000000 ] - [ -0.0014793600000000, 0.0157970400000000, -0.0119819300000000 ] - [ 0.0000048000000000, 0.0014596900000000, 0.0018090300000000 ] - [ 0.0002403500000000, 0.0012053700000000, -0.0041057500000000 ] - [ -0.0003135400000000, -0.0008592000000000, -0.0041662700000000 ] - [ 0.0044318000000000, -0.0031122900000000, 0.0331505400000000 ] - [ 0.0001894300000000, -0.0010063100000000, 0.0056522100000000 ] - [ -0.0003145200000000, 0.0008522600000000, -0.0039103900000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001514200000000, -0.0001701800000000, -0.0007304700000000 ] - [ -0.0008632900000000, 0.0002035700000000, 0.0004445700000000 ] - [ -0.0038862200000000, 0.0045853900000000, 0.0011332100000000 ] - [ -0.0005160300000000, -0.0026857500000000, 0.0002710100000000 ] - [ -0.0008305200000000, -0.0001147400000000, 0.0004293300000000 ] - [ -0.2338925800000000, 0.1422148400000000, -0.0192373500000000 ] - [ -0.0000228400000000, -0.0002181400000000, -0.0000526600000000 ] - [ -0.0000559100000000, 0.0001684400000000, -0.0000535400000000 ] - [ 0.0012252200000000, 0.0009733300000000, 0.0003609000000000 ] - [ 0.0001811300000000, 0.0000382600000000, 0.0001517200000000 ] - [ 0.0005192100000000, -0.0002469500000000, 0.0010520700000000 ] - [ 0.0001560000000000, -0.0021596100000000, -0.0000836900000000 ] - [ 0.0000255900000000, 0.0004811300000000, 0.0005281500000000 ] - [ 0.0002384400000000, 0.0008839000000000, -0.0000225600000000 ] - [ 0.0004623600000000, -0.0014027100000000, -0.0015572900000000 ] - [ -0.0002354100000000, -0.0013717900000000, 0.0005453300000000 ] - [ 0.0004437600000000, -0.0010983500000000, -0.0000126800000000 ] - [ -0.0002425300000000, 0.0004503500000000, -0.0004475700000000 ] - [ -0.0002549600000000, -0.0003230100000000, -0.0004574900000000 ] - [ -0.0017442100000000, -0.0007068500000000, -0.0012244200000000 ] - [ 0.0000681400000000, -0.0003516100000000, -0.0000554100000000 ] - [ -0.0022452300000000, -0.0012078600000000, 0.0008796000000000 ] - [ -0.0000634200000000, -0.0002324300000000, 0.0002024900000000 ] - [ -0.0000591800000000, 0.0003438000000000, 0.0001923800000000 ] - [ 0.0662829500000000, -0.0237198800000000, 0.0454065700000000 ] - [ -0.0002467600000000, -0.0003737200000000, -0.0001677700000000 ] - [ 0.0012354300000000, 0.0022656600000000, -0.0004602000000000 ] - [ -0.0017973500000000, -0.0032797500000000, -0.0005074000000000 ] - [ -0.0002508100000000, 0.0003596500000000, -0.0001352600000000 ] - [ 0.0000943500000000, -0.0000061000000000, -0.0003139200000000 ] - [ 0.0010475200000000, 0.0019382600000000, -0.0000377200000000 ] - [ -0.0021734200000000, -0.0021011200000000, 0.0002894100000000 ] - [ 0.0000904700000000, -0.0000460100000000, -0.0003702200000000 ] - [ 0.0000608100000000, 0.0002553300000000, -0.0000563200000000 ] - [ 0.0039188400000000, 0.0033175800000000, -0.0002548800000000 ] - [ -0.0012205600000000, 0.0035530400000000, -0.0000451700000000 ] - [ -0.0007764200000000, 0.0001265200000000, 0.0004817200000000 ] - [ 0.0001619100000000, 0.0001496100000000, -0.0000304800000000 ] - [ 0.0001560100000000, -0.0001669600000000, 0.0001431600000000 ] - [ -0.0014390000000000, -0.0006326300000000, -0.0023001600000000 ] - [ 0.0002196100000000, -0.0005996700000000, -0.0005982200000000 ] - [ 0.0003897300000000, 0.0018713900000000, -0.0008879900000000 ] - [ -0.0011845500000000, -0.0001296700000000, -0.0008882300000000 ] - [ 0.0003285700000000, 0.0000218200000000, -0.0007029100000000 ] - [ -0.0005006900000000, 0.0005394900000000, 0.0002544600000000 ] - [ 0.0009494200000000, 0.0007728200000000, -0.0004065500000000 ] - [ 0.0581822500000000, -0.0125688200000000, -0.0260317400000000 ] - [ -0.0010186100000000, 0.0001916700000000, -0.0008552100000000 ] - [ -0.0013953400000000, 0.0006434100000000, -0.0010801600000000 ] - [ 0.0005596700000000, 0.0006802100000000, 0.0002335300000000 ] - [ 0.0004890900000000, -0.0007175300000000, -0.0000893000000000 ] - [ -0.0018959400000000, 0.0004615400000000, 0.0028640200000000 ] - [ -0.0002099800000000, -0.0003742500000000, 0.0002802200000000 ] - [ 0.0008512000000000, 0.0014905400000000, 0.0005239900000000 ] - [ -0.0005081800000000, 0.0006011100000000, 0.0008812100000000 ] - [ -0.0002727000000000, -0.0004792700000000, 0.0004211700000000 ] - [ -0.0001003100000000, -0.0000315100000000, -0.0001290300000000 ] - [ 0.0017408400000000, 0.0014589600000000, 0.0009006500000000 ] - [ 0.0002987600000000, -0.0017529300000000, 0.0002886200000000 ] - [ -0.0009517400000000, 0.0006548500000000, 0.0012281200000000 ] - [ -0.0007917000000000, -0.0008859100000000, 0.0003670600000000 ] - [ -0.0007434400000000, 0.0005707500000000, 0.0003416800000000 ] - [ 0.0925163900000000, -0.0895795700000000, 0.0009846300000000 ] - [ -0.0008122100000000, 0.0009185500000000, 0.0003620900000000 ] - [ -0.0003735800000000, 0.0003929000000000, -0.0006218400000000 ] - [ -0.0021728000000000, -0.0028546900000000, 0.0050182900000000 ] - [ 0.0007269800000000, -0.0001746900000000, -0.0003521700000000 ] - [ -0.0002669100000000, -0.0001619800000000, -0.0003388000000000 ] - [ 0.0041370100000000, 0.0001169300000000, 0.0036530800000000 ] - [ -0.0000959300000000, -0.0000593600000000, 0.0001170300000000 ] - [ -0.0001773200000000, -0.0004329200000000, 0.0000701000000000 ] - [ -0.0019477100000000, 0.0007611600000000, -0.0006528900000000 ] - [ -0.0005394700000000, 0.0004049500000000, 0.0005097100000000 ] - [ -0.0025949600000000, -0.0022439900000000, -0.0051599200000000 ] - [ -0.0004332100000000, -0.0001411700000000, 0.0002577400000000 ] - [ 0.0009434000000000, -0.0003114600000000, 0.0000945400000000 ] - [ 0.0042581400000000, -0.0008663100000000, -0.0047863500000000 ] - [ 0.0002100600000000, 0.0001485300000000, -0.0002608400000000 ] - [ -0.0000769800000000, -0.0009237700000000, -0.0002671000000000 ] - [ -0.0029869000000000, 0.0015691800000000, 0.0009192100000000 ] - [ 0.0319140200000000, -0.0060549600000000, -0.0002360700000000 ] - [ 0.0002407800000000, 0.0007671400000000, 0.0002454300000000 ] - [ 0.0002585200000000, -0.0008042900000000, 0.0001980700000000 ] - [ -0.0005634000000000, -0.0125816900000000, -0.0005663200000000 ]- atom: 6 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005505700000000, -0.0006035800000000, 0.0003139100000000 ] - [ -0.0007885200000000, 0.0000760200000000, 0.0004115100000000 ] - [ 0.0054467900000000, -0.0047746000000000, -0.0002674200000000 ] - [ 0.0021738400000000, 0.0029685100000000, 0.0005819700000000 ] - [ -0.0008209900000000, -0.0001645800000000, 0.0004268400000000 ] - [ 0.2360934900000000, -0.1455742800000000, 0.0186619300000000 ] - [ 0.0000035500000000, -0.0003007900000000, -0.0000832200000000 ] - [ 0.0000366700000000, 0.0003503400000000, -0.0000821600000000 ] - [ -0.0012125500000000, -0.0015405000000000, -0.0005191600000000 ] - [ 0.0001639700000000, -0.0011075800000000, 0.0002901600000000 ] - [ -0.0008559200000000, 0.0013221700000000, -0.0006178700000000 ] - [ -0.0004912100000000, 0.0011069200000000, 0.0005361700000000 ] - [ 0.0003145900000000, 0.0005826900000000, -0.0000844000000000 ] - [ 0.0001682300000000, -0.0001163400000000, -0.0003919300000000 ] - [ -0.0008597500000000, 0.0006434700000000, 0.0011501300000000 ] - [ -0.0001585600000000, 0.0021532400000000, -0.0009746100000000 ] - [ 0.0001140200000000, 0.0010291800000000, -0.0000534700000000 ] - [ -0.0002485100000000, 0.0003213800000000, -0.0004929900000000 ] - [ -0.0002361300000000, -0.0004495400000000, -0.0004832100000000 ] - [ 0.0022436400000000, 0.0014973700000000, 0.0003051000000000 ] - [ 0.0000411600000000, -0.0002734700000000, -0.0000184500000000 ] - [ 0.0023981100000000, 0.0018151200000000, -0.0003863700000000 ] - [ -0.0000671000000000, -0.0003469100000000, 0.0002906500000000 ] - [ -0.0000713700000000, 0.0002347900000000, 0.0003010900000000 ] - [ -0.0669819100000000, 0.0231616500000000, -0.0450192000000000 ] - [ -0.0002427500000000, -0.0004913000000000, -0.0001506400000000 ] - [ -0.0007566500000000, -0.0014111400000000, 0.0001464700000000 ] - [ 0.0022596100000000, 0.0023444000000000, 0.0002050500000000 ] - [ -0.0002378700000000, 0.0005052200000000, -0.0001832200000000 ] - [ 0.0000840300000000, -0.0000380400000000, -0.0003409900000000 ] - [ -0.0012371200000000, -0.0019002800000000, -0.0006155300000000 ] - [ 0.0019811900000000, 0.0019993800000000, -0.0009414800000000 ] - [ 0.0000888200000000, 0.0000901600000000, -0.0002843700000000 ] - [ 0.0000490900000000, 0.0003695600000000, -0.0000175400000000 ] - [ -0.0039694100000000, -0.0039948300000000, 0.0001807600000000 ] - [ 0.0010590900000000, -0.0029241900000000, -0.0000289400000000 ] - [ 0.0006914500000000, -0.0000259800000000, -0.0002285200000000 ] - [ -0.0000439400000000, -0.0002821700000000, 0.0003079800000000 ] - [ -0.0000403700000000, 0.0003027800000000, 0.0001347200000000 ] - [ 0.0013088100000000, 0.0004984700000000, 0.0025969300000000 ] - [ 0.0004596200000000, -0.0006078900000000, 0.0000240500000000 ] - [ -0.0010610100000000, -0.0006743000000000, 0.0003190000000000 ] - [ 0.0004976000000000, -0.0010870000000000, 0.0003206800000000 ] - [ 0.0003480400000000, 0.0011919400000000, 0.0001347700000000 ] - [ -0.0000506100000000, -0.0006151500000000, -0.0003327800000000 ] - [ -0.0004030800000000, -0.0007058000000000, 0.0003310300000000 ] - [ -0.0582906500000000, 0.0120831300000000, 0.0256410600000000 ] - [ 0.0004686900000000, -0.0001207400000000, 0.0007914900000000 ] - [ 0.0005855200000000, -0.0016720700000000, 0.0010087400000000 ] - [ 0.0002761100000000, 0.0003204700000000, -0.0003302800000000 ] - [ 0.0003435000000000, -0.0002793300000000, -0.0000090700000000 ] - [ 0.0010477200000000, 0.0005309400000000, -0.0029778600000000 ] - [ -0.0001308800000000, 0.0000410000000000, -0.0002196800000000 ] - [ -0.0005025200000000, -0.0011637700000000, -0.0004668600000000 ] - [ 0.0008425600000000, -0.0009457500000000, -0.0008271800000000 ] - [ -0.0000705300000000, 0.0008216800000000, -0.0003690800000000 ] - [ -0.0002179900000000, -0.0011550300000000, 0.0006838700000000 ] - [ -0.0014354000000000, -0.0002839100000000, -0.0003497000000000 ] - [ 0.0000269200000000, 0.0005779100000000, 0.0002496000000000 ] - [ 0.0006374500000000, 0.0005252600000000, -0.0006862400000000 ] - [ -0.0008431200000000, -0.0010108800000000, 0.0003840900000000 ] - [ 0.0023998800000000, 0.0013562500000000, 0.0004146400000000 ] - [ -0.0912895400000000, 0.0912092600000000, -0.0002522500000000 ] - [ -0.0008233100000000, 0.0009781200000000, 0.0003890400000000 ] - [ -0.0002252900000000, -0.0000763000000000, -0.0005349800000000 ] - [ 0.0027612000000000, 0.0025138900000000, -0.0061571900000000 ] - [ -0.0001199200000000, 0.0005125300000000, -0.0008223900000000 ] - [ -0.0003350800000000, -0.0001556000000000, -0.0008214900000000 ] - [ -0.0037849900000000, -0.0001757000000000, -0.0039021600000000 ] - [ -0.0002758000000000, 0.0001071300000000, -0.0004272200000000 ] - [ -0.0001874000000000, 0.0003884000000000, -0.0003794100000000 ] - [ 0.0023495200000000, -0.0007219400000000, 0.0003514900000000 ] - [ -0.0003807500000000, -0.0000668200000000, 0.0002586800000000 ] - [ 0.0035023300000000, 0.0018779300000000, 0.0059040600000000 ] - [ -0.0004908900000000, -0.0001984900000000, 0.0005150800000000 ] - [ -0.0000144300000000, 0.0006642900000000, 0.0006872000000000 ] - [ -0.0042664800000000, 0.0002745700000000, 0.0048450100000000 ] - [ -0.0002513400000000, 0.0004072000000000, 0.0004002300000000 ] - [ 0.0000448200000000, 0.0003722700000000, 0.0004058800000000 ] - [ 0.0030968700000000, -0.0010140400000000, -0.0007670500000000 ] - [ -0.0326127000000000, 0.0047877700000000, 0.0006514500000000 ] - [ 0.0002209900000000, 0.0006761200000000, 0.0001664200000000 ] - [ 0.0002023500000000, -0.0006387300000000, 0.0002132900000000 ] - [ 0.0000019400000000, 0.0140984700000000, 0.0009663300000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002654400000000, 0.0000198500000000, 0.0004958300000000 ] - [ -0.0007603100000000, 0.0000200300000000, 0.0006169800000000 ] - [ 0.0094837400000000, 0.0093452300000000, -0.0006440000000000 ] - [ 0.0047682500000000, 0.0084080700000000, 0.0002920600000000 ] - [ -0.0007920000000000, -0.0001373800000000, 0.0006086000000000 ] - [ 0.1474870600000000, -0.4672140900000000, 0.0134675300000000 ] - [ 0.0000317700000000, -0.0003900000000000, 0.0001172500000000 ] - [ 0.0000816400000000, 0.0004598100000000, 0.0001106000000000 ] - [ -0.0012476600000000, -0.0004897700000000, -0.0002230800000000 ] - [ 0.0001267500000000, -0.0015866600000000, 0.0003885900000000 ] - [ -0.0014967100000000, 0.0007690500000000, -0.0022401600000000 ] - [ -0.0006700000000000, 0.0038040100000000, 0.0014429400000000 ] - [ 0.0000280500000000, 0.0011157500000000, -0.0000718000000000 ] - [ 0.0006512700000000, -0.0003833100000000, 0.0000979000000000 ] - [ -0.0014621700000000, 0.0012225000000000, 0.0029749700000000 ] - [ -0.0004989500000000, 0.0043538200000000, -0.0018218200000000 ] - [ -0.0000140200000000, 0.0025045600000000, -0.0002487900000000 ] - [ -0.0002610800000000, 0.0003112000000000, -0.0007237000000000 ] - [ -0.0002376800000000, -0.0005282200000000, -0.0007142200000000 ] - [ 0.0006127300000000, 0.0033854900000000, 0.0008153100000000 ] - [ 0.0000077000000000, -0.0002692700000000, -0.0001233000000000 ] - [ 0.0002633500000000, 0.0038971700000000, -0.0007122900000000 ] - [ -0.0000729000000000, -0.0003556700000000, 0.0001563300000000 ] - [ -0.0000561500000000, 0.0002142900000000, 0.0001585700000000 ] - [ -0.0238091000000000, 0.0986311400000000, -0.0846035600000000 ] - [ -0.0002488300000000, -0.0006333800000000, -0.0003390900000000 ] - [ -0.0022295600000000, -0.0051770600000000, 0.0006513600000000 ] - [ -0.0012018000000000, -0.0004761500000000, 0.0048857300000000 ] - [ -0.0002350900000000, 0.0006635800000000, -0.0004101600000000 ] - [ 0.0000653700000000, -0.0000770700000000, -0.0004931100000000 ] - [ -0.0027771500000000, -0.0052763400000000, -0.0006262700000000 ] - [ -0.0008449100000000, -0.0018511000000000, -0.0036791100000000 ] - [ 0.0000862500000000, 0.0001424700000000, -0.0004598500000000 ] - [ 0.0000470400000000, 0.0004019400000000, -0.0001171900000000 ] - [ -0.0016483700000000, -0.0122081100000000, 0.0003678600000000 ] - [ 0.0001662200000000, -0.0092239700000000, 0.0002136400000000 ] - [ 0.0004963200000000, -0.0028527200000000, -0.0014460400000000 ] - [ -0.0000680300000000, -0.0005996800000000, 0.0002055300000000 ] - [ -0.0001355200000000, 0.0005115500000000, -0.0000291900000000 ] - [ 0.0017214700000000, 0.0031319400000000, 0.0054874600000000 ] - [ 0.0006891000000000, -0.0010515200000000, 0.0005089200000000 ] - [ -0.0011960200000000, -0.0030543500000000, 0.0012948700000000 ] - [ 0.0012563000000000, -0.0009262000000000, 0.0015535400000000 ] - [ 0.0002952200000000, 0.0017024400000000, 0.0003590400000000 ] - [ 0.0000924300000000, -0.0015589600000000, -0.0008483200000000 ] - [ -0.0004514500000000, -0.0012845700000000, 0.0001945800000000 ] - [ -0.0123076800000000, 0.0879113900000000, 0.0672793400000000 ] - [ 0.0015774800000000, 0.0014810400000000, 0.0009708800000000 ] - [ 0.0001252400000000, -0.0033995700000000, 0.0021712500000000 ] - [ 0.0002905000000000, -0.0000328000000000, -0.0005486200000000 ] - [ 0.0001166200000000, 0.0000681500000000, -0.0003617600000000 ] - [ 0.0016425500000000, 0.0020713000000000, -0.0064100900000000 ] - [ -0.0000221800000000, -0.0005165500000000, -0.0008806800000000 ] - [ -0.0006152600000000, -0.0029468700000000, -0.0015373000000000 ] - [ 0.0014939800000000, -0.0015315500000000, -0.0020882200000000 ] - [ -0.0001389000000000, 0.0012797500000000, -0.0008055600000000 ] - [ -0.0002087300000000, -0.0018750100000000, 0.0009668600000000 ] - [ -0.0016642700000000, -0.0008967800000000, -0.0004062100000000 ] - [ -0.0002668400000000, 0.0028824400000000, -0.0007152000000000 ] - [ 0.0015263600000000, 0.0010866400000000, -0.0016320100000000 ] - [ -0.0008560200000000, -0.0011004100000000, 0.0002710800000000 ] - [ 0.0040863500000000, -0.0009031900000000, 0.0003993600000000 ] - [ -0.0872947500000000, 0.2362329800000000, -0.0003692200000000 ] - [ -0.0008419500000000, 0.0010438300000000, 0.0002623900000000 ] - [ -0.0002560800000000, -0.0003143000000000, -0.0003617600000000 ] - [ 0.0011114600000000, 0.0079034200000000, -0.0150474800000000 ] - [ 0.0002213300000000, 0.0035445600000000, -0.0021074400000000 ] - [ -0.0002843200000000, -0.0001057000000000, -0.0009132500000000 ] - [ -0.0051525600000000, -0.0041710500000000, -0.0032899100000000 ] - [ -0.0004011300000000, -0.0000721000000000, -0.0007126300000000 ] - [ -0.0001224200000000, 0.0006927500000000, -0.0006121200000000 ] - [ 0.0052991900000000, 0.0017917600000000, -0.0055434200000000 ] - [ -0.0003973000000000, -0.0002127500000000, 0.0004831700000000 ] - [ 0.0021136300000000, 0.0083026900000000, 0.0152871500000000 ] - [ -0.0004439400000000, -0.0001262600000000, 0.0009579400000000 ] - [ 0.0003694500000000, 0.0035966500000000, 0.0016075900000000 ] - [ -0.0087043300000000, -0.0079803400000000, 0.0043929300000000 ] - [ -0.0004640400000000, 0.0003524800000000, 0.0013371200000000 ] - [ 0.0001443300000000, 0.0009551600000000, 0.0012043800000000 ] - [ 0.0083191100000000, 0.0031771800000000, 0.0084263800000000 ] - [ -0.0252791600000000, -0.0088409900000000, 0.0006646900000000 ] - [ 0.0002026900000000, 0.0005924500000000, 0.0004942100000000 ] - [ 0.0001621400000000, -0.0005356900000000, 0.0004785800000000 ] - [ -0.0093885000000000, 0.0431849300000000, -0.0002033600000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001356000000000, -0.0007875500000000, -0.0009100600000000 ] - [ -0.0008908100000000, 0.0002585200000000, 0.0002394100000000 ] - [ -0.0077540700000000, -0.0096140000000000, 0.0014978600000000 ] - [ -0.0031355100000000, -0.0081386900000000, 0.0005587900000000 ] - [ -0.0008596600000000, -0.0001422100000000, 0.0002479000000000 ] - [ -0.1405077200000000, 0.4554702100000000, -0.0138759600000000 ] - [ -0.0000510600000000, -0.0001290000000000, -0.0002527900000000 ] - [ -0.0001004800000000, 0.0000599200000000, -0.0002461100000000 ] - [ 0.0012661700000000, 0.0000086800000000, 0.0000868500000000 ] - [ 0.0002098400000000, 0.0005135300000000, 0.0000582000000000 ] - [ 0.0011484700000000, 0.0002920200000000, 0.0026751800000000 ] - [ 0.0003225800000000, -0.0048533700000000, -0.0009959000000000 ] - [ 0.0003134200000000, -0.0000446700000000, 0.0005145700000000 ] - [ -0.0002578300000000, 0.0011462000000000, -0.0005202400000000 ] - [ 0.0010579500000000, -0.0019927500000000, -0.0033849100000000 ] - [ 0.0000910300000000, -0.0035721900000000, 0.0014004800000000 ] - [ 0.0005608700000000, -0.0025618100000000, 0.0001671900000000 ] - [ -0.0002300800000000, 0.0004604400000000, -0.0002169600000000 ] - [ -0.0002532500000000, -0.0002444300000000, -0.0002268000000000 ] - [ -0.0001220700000000, -0.0026216500000000, -0.0017559400000000 ] - [ 0.0001018900000000, -0.0003552400000000, 0.0000494200000000 ] - [ -0.0001314900000000, -0.0033298700000000, 0.0012094200000000 ] - [ -0.0000576300000000, -0.0002239600000000, 0.0003367000000000 ] - [ -0.0000743900000000, 0.0003640900000000, 0.0003342500000000 ] - [ 0.0250385900000000, -0.0999767300000000, 0.0886114800000000 ] - [ -0.0002400100000000, -0.0002320800000000, 0.0000204500000000 ] - [ 0.0027298900000000, 0.0060372800000000, -0.0009630400000000 ] - [ 0.0016592000000000, -0.0003589100000000, -0.0051921400000000 ] - [ -0.0002541200000000, 0.0002025400000000, 0.0000909800000000 ] - [ 0.0001135000000000, 0.0000327700000000, -0.0001621200000000 ] - [ 0.0026111800000000, 0.0053182000000000, -0.0000259600000000 ] - [ 0.0006394800000000, 0.0018277900000000, 0.0030228000000000 ] - [ 0.0000921700000000, -0.0000974500000000, -0.0001946900000000 ] - [ 0.0000623100000000, 0.0002235700000000, 0.0000432900000000 ] - [ 0.0014952000000000, 0.0115558400000000, -0.0004380900000000 ] - [ -0.0002994500000000, 0.0098947600000000, -0.0002891200000000 ] - [ -0.0006037700000000, 0.0029430500000000, 0.0017212600000000 ] - [ 0.0001840400000000, 0.0004623300000000, 0.0000725700000000 ] - [ 0.0002533100000000, -0.0003760600000000, 0.0003051800000000 ] - [ -0.0018242900000000, -0.0032463300000000, -0.0051932300000000 ] - [ -0.0000093300000000, -0.0001644800000000, -0.0010742600000000 ] - [ 0.0005098400000000, 0.0042422600000000, -0.0018545700000000 ] - [ -0.0019222500000000, -0.0002824100000000, -0.0021144100000000 ] - [ 0.0003846600000000, -0.0004856100000000, -0.0009266200000000 ] - [ -0.0006364600000000, 0.0014777500000000, 0.0007730400000000 ] - [ 0.0009988400000000, 0.0013466700000000, -0.0002656000000000 ] - [ 0.0135028300000000, -0.0894606000000000, -0.0714542400000000 ] - [ -0.0021190900000000, -0.0013971300000000, -0.0010426900000000 ] - [ -0.0009591600000000, 0.0023705800000000, -0.0022667300000000 ] - [ 0.0005436800000000, 0.0010285500000000, 0.0004492200000000 ] - [ 0.0007201700000000, -0.0010658100000000, 0.0002672300000000 ] - [ -0.0024636100000000, -0.0010607200000000, 0.0062980100000000 ] - [ -0.0003185900000000, 0.0001747300000000, 0.0009315400000000 ] - [ 0.0009506200000000, 0.0032708800000000, 0.0015834700000000 ] - [ -0.0011418000000000, 0.0011921500000000, 0.0021349300000000 ] - [ -0.0001999300000000, -0.0009336000000000, 0.0008573500000000 ] - [ -0.0001040600000000, 0.0006862700000000, -0.0004170500000000 ] - [ 0.0019676500000000, 0.0020663100000000, 0.0009504400000000 ] - [ 0.0005775900000000, -0.0040465800000000, 0.0012759500000000 ] - [ -0.0018363600000000, 0.0001031200000000, 0.0021779900000000 ] - [ -0.0007795000000000, -0.0007972700000000, 0.0004798900000000 ] - [ -0.0024670900000000, 0.0027770300000000, 0.0003526300000000 ] - [ 0.0800119000000000, -0.2238907000000000, 0.0010749700000000 ] - [ -0.0007931800000000, 0.0008536400000000, 0.0004886700000000 ] - [ -0.0003448600000000, 0.0006297500000000, -0.0007979200000000 ] - [ -0.0005304000000000, -0.0081607000000000, 0.0137847200000000 ] - [ 0.0003847700000000, -0.0032105500000000, 0.0009389300000000 ] - [ -0.0003157500000000, -0.0002109600000000, -0.0002470000000000 ] - [ 0.0055089200000000, 0.0041010800000000, 0.0029566400000000 ] - [ 0.0000344900000000, 0.0001188500000000, 0.0003996800000000 ] - [ -0.0002454000000000, -0.0007357800000000, 0.0003009200000000 ] - [ -0.0049376600000000, -0.0017295800000000, 0.0052373500000000 ] - [ -0.0005254500000000, 0.0005499800000000, 0.0002889500000000 ] - [ -0.0012057600000000, -0.0085776700000000, -0.0144090700000000 ] - [ -0.0004780200000000, -0.0002135800000000, -0.0001849600000000 ] - [ 0.0005582500000000, -0.0032426100000000, -0.0008330000000000 ] - [ 0.0087067600000000, 0.0073743500000000, -0.0042179400000000 ] - [ 0.0004287600000000, 0.0002004500000000, -0.0011917900000000 ] - [ -0.0001809400000000, -0.0015047500000000, -0.0010616500000000 ] - [ -0.0082758700000000, -0.0025957800000000, -0.0082863000000000 ] - [ 0.0248885500000000, 0.0073085300000000, -0.0002541600000000 ] - [ 0.0002586600000000, 0.0008499900000000, -0.0000830600000000 ] - [ 0.0002988800000000, -0.0009060300000000, -0.0000665300000000 ] - [ 0.0091156700000000, -0.0422228400000000, 0.0006268900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007284500000000, 0.0010574600000000, 0.0023323000000000 ] - [ -0.0008715100000000, 0.0000112700000000, 0.0033101100000000 ] - [ 0.0009532700000000, -0.0010434500000000, -0.0114325000000000 ] - [ 0.0007914000000000, 0.0004630600000000, -0.0060862000000000 ] - [ -0.0008846800000000, -0.0000436000000000, 0.0031795800000000 ] - [ -0.0225057800000000, 0.0222992900000000, -0.4583697400000000 ] - [ -0.0000252000000000, -0.0004437000000000, 0.0027638100000000 ] - [ -0.0000238100000000, 0.0004377300000000, 0.0027534800000000 ] - [ 0.0004440300000000, -0.0000985700000000, -0.0114239500000000 ] - [ -0.0017026100000000, 0.0005881100000000, 0.0032073600000000 ] - [ -0.0006938400000000, -0.0018196100000000, 0.0010968300000000 ] - [ 0.0007126200000000, 0.0020633700000000, 0.0016795400000000 ] - [ -0.0002694400000000, -0.0006952600000000, 0.0019445700000000 ] - [ 0.0025482400000000, -0.0008610400000000, 0.0034870800000000 ] - [ -0.0000589000000000, 0.0014494600000000, 0.0014206300000000 ] - [ -0.0010851100000000, -0.0016253800000000, 0.0021223700000000 ] - [ 0.0008385400000000, -0.0021464600000000, -0.0042521200000000 ] - [ -0.0004247700000000, 0.0007135200000000, -0.0032895100000000 ] - [ -0.0003071600000000, -0.0007909700000000, -0.0032953800000000 ] - [ -0.0003687900000000, -0.0013291100000000, 0.0066599700000000 ] - [ 0.0000505400000000, -0.0003385800000000, -0.0018785900000000 ] - [ 0.0006284000000000, 0.0017711500000000, 0.0067687800000000 ] - [ 0.0001049100000000, 0.0000146200000000, -0.0023152400000000 ] - [ 0.0001619200000000, 0.0000519600000000, -0.0023138200000000 ] - [ 0.0449114400000000, -0.0835798400000000, 0.2204444000000000 ] - [ -0.0002219800000000, -0.0010438500000000, -0.0027026600000000 ] - [ 0.0005789300000000, -0.0035783900000000, 0.0054610900000000 ] - [ 0.0035298100000000, 0.0052669200000000, 0.0066213900000000 ] - [ -0.0002657500000000, 0.0011335400000000, -0.0028797500000000 ] - [ 0.0001282800000000, 0.0001540400000000, -0.0028133200000000 ] - [ 0.0001461500000000, 0.0027204900000000, 0.0045749100000000 ] - [ -0.0032158100000000, -0.0046121300000000, 0.0060517600000000 ] - [ 0.0001644800000000, -0.0002037700000000, -0.0029518300000000 ] - [ 0.0000418200000000, 0.0003542800000000, -0.0018652700000000 ] - [ -0.0004351200000000, 0.0011919600000000, 0.0029596800000000 ] - [ -0.0000572900000000, 0.0000127800000000, 0.0026223600000000 ] - [ 0.0016365900000000, -0.0065715900000000, -0.0019458800000000 ] - [ 0.0001414200000000, 0.0006725600000000, -0.0021506000000000 ] - [ 0.0006851100000000, -0.0010922100000000, -0.0026419200000000 ] - [ -0.0019597200000000, 0.0031507500000000, 0.0008977100000000 ] - [ 0.0000281600000000, 0.0005081800000000, -0.0028608600000000 ] - [ -0.0001757500000000, -0.0016683000000000, -0.0003111300000000 ] - [ -0.0000028400000000, 0.0009644000000000, -0.0001790300000000 ] - [ 0.0005653100000000, 0.0000240800000000, -0.0031262500000000 ] - [ 0.0000726800000000, -0.0014304100000000, -0.0023266600000000 ] - [ 0.0017289600000000, 0.0016683200000000, -0.0016114900000000 ] - [ -0.0241130900000000, 0.0628074300000000, 0.1836022700000000 ] - [ 0.0005977400000000, 0.0019237900000000, -0.0025088700000000 ] - [ -0.0014343400000000, 0.0053349600000000, -0.0018588200000000 ] - [ 0.0003378500000000, -0.0006620900000000, -0.0031160500000000 ] - [ -0.0002547900000000, 0.0009257400000000, -0.0036174300000000 ] - [ 0.0014710700000000, -0.0026173200000000, 0.0005346800000000 ] - [ 0.0000393000000000, -0.0016294200000000, -0.0030525200000000 ] - [ -0.0001744400000000, 0.0019440300000000, -0.0008118400000000 ] - [ -0.0000496400000000, -0.0014204900000000, -0.0005235800000000 ] - [ -0.0002405700000000, 0.0011125100000000, -0.0030193600000000 ] - [ 0.0002611000000000, 0.0003996800000000, -0.0020341900000000 ] - [ -0.0027299200000000, -0.0016040600000000, -0.0014327500000000 ] - [ -0.0008340000000000, 0.0017233300000000, -0.0045309100000000 ] - [ -0.0002669400000000, -0.0004627300000000, -0.0019118600000000 ] - [ -0.0008587600000000, -0.0010523600000000, -0.0014425300000000 ] - [ 0.0001745600000000, 0.0011035200000000, 0.0044394600000000 ] - [ 0.0018600400000000, -0.0023038000000000, 0.0544657900000000 ] - [ -0.0008644200000000, 0.0010584900000000, -0.0014835800000000 ] - [ -0.0004891400000000, 0.0002807300000000, 0.0025257400000000 ] - [ 0.0021396000000000, -0.0088104000000000, -0.0008030800000000 ] - [ -0.0001632200000000, 0.0004668300000000, -0.0037343600000000 ] - [ -0.0003056000000000, -0.0004743300000000, 0.0026520700000000 ] - [ 0.0092468000000000, 0.0010236600000000, 0.0089870900000000 ] - [ -0.0004148200000000, -0.0005770400000000, 0.0025760500000000 ] - [ -0.0001417300000000, 0.0002050500000000, 0.0022622100000000 ] - [ -0.0074548700000000, -0.0069486100000000, 0.0089667700000000 ] - [ -0.0003020800000000, 0.0000282100000000, 0.0038140400000000 ] - [ -0.0015558300000000, 0.0098109900000000, 0.0013677200000000 ] - [ -0.0004174300000000, 0.0001557700000000, 0.0039147300000000 ] - [ 0.0010212900000000, -0.0002811000000000, -0.0018485200000000 ] - [ -0.0131488500000000, -0.0025715300000000, 0.0115941900000000 ] - [ 0.0004360900000000, 0.0010138800000000, 0.0041719900000000 ] - [ -0.0001579500000000, -0.0004168000000000, 0.0036541000000000 ] - [ 0.0122428500000000, 0.0108479500000000, 0.0130305800000000 ] - [ -0.0003330200000000, -0.0000492800000000, -0.0133596800000000 ] - [ 0.0001375800000000, 0.0005943300000000, 0.0048864800000000 ] - [ 0.0001595800000000, -0.0006002400000000, 0.0045433200000000 ] - [ -0.0001855700000000, -0.0040063600000000, -0.0282353900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003250000000000, -0.0018309500000000, -0.0027448500000000 ] - [ -0.0007798000000000, 0.0002669100000000, -0.0024533600000000 ] - [ 0.0006380700000000, 0.0007194700000000, 0.0122935400000000 ] - [ 0.0008414300000000, -0.0002146200000000, 0.0069410500000000 ] - [ -0.0007678600000000, -0.0002370300000000, -0.0023226700000000 ] - [ 0.0154215100000000, -0.0050546500000000, 0.4581634100000000 ] - [ 0.0000051700000000, -0.0000737900000000, -0.0028988600000000 ] - [ 0.0000046400000000, 0.0000811600000000, -0.0028884400000000 ] - [ -0.0004355700000000, -0.0004086300000000, 0.0112877700000000 ] - [ 0.0020312300000000, -0.0016546500000000, -0.0027495400000000 ] - [ 0.0003564000000000, 0.0028979900000000, -0.0006509100000000 ] - [ -0.0010450300000000, -0.0031340100000000, -0.0012275800000000 ] - [ 0.0006125700000000, 0.0017591400000000, -0.0015032200000000 ] - [ -0.0021658800000000, 0.0016238200000000, -0.0039197600000000 ] - [ -0.0003362800000000, -0.0022104000000000, -0.0018397500000000 ] - [ 0.0006920400000000, 0.0023913800000000, -0.0025486900000000 ] - [ -0.0002909500000000, 0.0020596600000000, 0.0041534500000000 ] - [ -0.0000668700000000, 0.0000578100000000, 0.0023486400000000 ] - [ -0.0001837800000000, 0.0000175500000000, 0.0023540100000000 ] - [ 0.0008614700000000, 0.0020932100000000, -0.0076213600000000 ] - [ 0.0000595100000000, -0.0002851900000000, 0.0018040300000000 ] - [ -0.0004937100000000, -0.0012035100000000, -0.0062476500000000 ] - [ -0.0002352300000000, -0.0005947800000000, 0.0028074000000000 ] - [ -0.0002924200000000, 0.0005258700000000, 0.0028058300000000 ] - [ -0.0409421100000000, 0.0751770400000000, -0.2084440200000000 ] - [ -0.0002668100000000, 0.0001802900000000, 0.0023842700000000 ] - [ -0.0000801200000000, 0.0044597600000000, -0.0057901900000000 ] - [ -0.0030545900000000, -0.0061360500000000, -0.0069799900000000 ] - [ -0.0002241200000000, -0.0002687000000000, 0.0025601500000000 ] - [ 0.0000509500000000, -0.0001969700000000, 0.0021573300000000 ] - [ -0.0003170700000000, -0.0026635500000000, -0.0052143600000000 ] - [ 0.0030217900000000, 0.0045690000000000, -0.0066675500000000 ] - [ 0.0000137600000000, 0.0002481200000000, 0.0022972300000000 ] - [ 0.0000676200000000, 0.0002717300000000, 0.0017909000000000 ] - [ 0.0003377200000000, -0.0017621200000000, -0.0030336500000000 ] - [ -0.0000696200000000, 0.0006682500000000, -0.0026977100000000 ] - [ -0.0017285900000000, 0.0066706000000000, 0.0022040900000000 ] - [ -0.0000246200000000, -0.0008057700000000, 0.0024289100000000 ] - [ -0.0005623400000000, 0.0012201500000000, 0.0029137800000000 ] - [ 0.0018648400000000, -0.0032974400000000, -0.0006297500000000 ] - [ 0.0006493000000000, -0.0017147400000000, 0.0022880900000000 ] - [ -0.0005073600000000, 0.0028726500000000, -0.0002678300000000 ] - [ -0.0006776600000000, -0.0021830100000000, -0.0003988900000000 ] - [ 0.0001166800000000, 0.0011888600000000, 0.0025477000000000 ] - [ -0.0006276900000000, 0.0013613600000000, 0.0022471000000000 ] - [ -0.0011719700000000, -0.0015926900000000, 0.0015423400000000 ] - [ 0.0269734400000000, -0.0708078100000000, -0.1959366800000000 ] - [ -0.0011512800000000, -0.0018567500000000, 0.0024356800000000 ] - [ 0.0006076200000000, -0.0063594200000000, 0.0017860500000000 ] - [ 0.0004966700000000, 0.0016620300000000, 0.0030160000000000 ] - [ 0.0010966000000000, -0.0019285600000000, 0.0035269400000000 ] - [ -0.0022838200000000, 0.0035987500000000, -0.0006121800000000 ] - [ -0.0003809800000000, 0.0012975300000000, 0.0031102500000000 ] - [ 0.0005125200000000, -0.0016110300000000, 0.0008795300000000 ] - [ 0.0003885800000000, 0.0010771900000000, 0.0005881700000000 ] - [ -0.0000965200000000, -0.0007676200000000, 0.0030759900000000 ] - [ -0.0005822100000000, -0.0015791300000000, 0.0025888500000000 ] - [ 0.0030470700000000, 0.0027854500000000, 0.0019758300000000 ] - [ 0.0011489000000000, -0.0029152300000000, 0.0051113700000000 ] - [ -0.0000527400000000, 0.0016433500000000, 0.0024632800000000 ] - [ -0.0007768200000000, -0.0008441700000000, 0.0021930900000000 ] - [ 0.0014591600000000, 0.0007909000000000, -0.0036871100000000 ] - [ 0.0005737800000000, -0.0012279300000000, -0.0537271300000000 ] - [ -0.0007701800000000, 0.0008377000000000, 0.0022343500000000 ] - [ -0.0001131900000000, 0.0000365500000000, -0.0036835300000000 ] - [ -0.0015460900000000, 0.0085623700000000, -0.0003159700000000 ] - [ 0.0007613000000000, -0.0001497900000000, 0.0025899900000000 ] - [ -0.0002940000000000, 0.0001535300000000, -0.0038093900000000 ] - [ -0.0088029600000000, -0.0010879600000000, -0.0092580200000000 ] - [ 0.0000500800000000, 0.0006299400000000, -0.0028825000000000 ] - [ -0.0002256200000000, -0.0002493700000000, -0.0025658800000000 ] - [ 0.0077691300000000, 0.0069274400000000, -0.0092288500000000 ] - [ -0.0006209900000000, 0.0003099700000000, -0.0030421400000000 ] - [ 0.0024698300000000, -0.0100722300000000, -0.0006460600000000 ] - [ -0.0005046900000000, -0.0004983700000000, -0.0031425000000000 ] - [ -0.0001003600000000, 0.0006182800000000, 0.0025979200000000 ] - [ 0.0132681100000000, 0.0019876300000000, -0.0115044100000000 ] - [ -0.0004666300000000, -0.0004506700000000, -0.0040355700000000 ] - [ 0.0001215200000000, -0.0001356200000000, -0.0035212200000000 ] - [ -0.0122490700000000, -0.0103700900000000, -0.0129481600000000 ] - [ -0.0000146800000000, -0.0014221500000000, 0.0137550200000000 ] - [ 0.0003245900000000, 0.0008496200000000, -0.0044745300000000 ] - [ 0.0003017700000000, -0.0008426300000000, -0.0041304600000000 ] - [ -0.0003115000000000, 0.0055497300000000, 0.0286435400000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000838300000000, -0.0006550500000000, -0.0010308400000000 ] - [ 0.0005412100000000, -0.0028570200000000, 0.0027658200000000 ] - [ 0.0006926700000000, -0.0001550200000000, -0.0013907600000000 ] - [ 0.0008771800000000, 0.0004273900000000, -0.0001290100000000 ] - [ 0.0000386400000000, 0.0009705100000000, -0.0008818600000000 ] - [ 0.0000191800000000, 0.0002173600000000, -0.0019368000000000 ] - [ 0.0006812600000000, -0.0015820800000000, 0.0004588200000000 ] - [ 0.0003156100000000, 0.0007542300000000, -0.0009512700000000 ] - [ -0.0001360300000000, -0.0001179000000000, -0.0005119300000000 ] - [ -0.3304831300000000, -0.0916611600000000, 0.1359448500000000 ] - [ -0.0003618900000000, 0.0006350300000000, -0.0004274800000000 ] - [ -0.0005802400000000, -0.0006052400000000, -0.0004825300000000 ] - [ 0.0008976500000000, -0.0002779600000000, -0.0000238300000000 ] - [ -0.0005123300000000, 0.0009992100000000, -0.0013673700000000 ] - [ 0.0056237100000000, -0.0032475000000000, 0.0030969500000000 ] - [ -0.0043358000000000, 0.0040059500000000, 0.0028295500000000 ] - [ 0.1544222600000000, 0.0355412600000000, -0.0968808200000000 ] - [ -0.0024132000000000, 0.0003351500000000, -0.0016397300000000 ] - [ 0.0022262700000000, 0.0024180600000000, 0.0020255800000000 ] - [ 0.0003061100000000, 0.0002804300000000, 0.0001400100000000 ] - [ 0.0002152300000000, -0.0013181700000000, 0.0021328300000000 ] - [ -0.0015497400000000, 0.0008896300000000, 0.0005972000000000 ] - [ -0.0001716400000000, -0.0001505300000000, 0.0012257000000000 ] - [ -0.0002100700000000, 0.0005508100000000, 0.0004948700000000 ] - [ 0.0011966600000000, 0.0017434400000000, 0.0025446100000000 ] - [ -0.0010585100000000, -0.0014880600000000, 0.0007140000000000 ] - [ 0.0002907800000000, 0.0002169400000000, 0.0004646900000000 ] - [ 0.0000463600000000, 0.0001358400000000, 0.0012362400000000 ] - [ -0.0005691700000000, 0.0020626600000000, -0.0051756100000000 ] - [ -0.0004948000000000, -0.0004877500000000, 0.0007976800000000 ] - [ 0.0006372100000000, -0.0013879400000000, -0.0005234500000000 ] - [ -0.0019851000000000, -0.0007429100000000, 0.0017383700000000 ] - [ 0.0008429500000000, 0.0002955500000000, -0.0015877100000000 ] - [ -0.0010320400000000, 0.0012416600000000, 0.0002740000000000 ] - [ -0.0004603100000000, -0.0007502000000000, 0.0010965100000000 ] - [ 0.0000650800000000, 0.0000362400000000, 0.0002824000000000 ] - [ -0.0000009400000000, 0.0002227100000000, 0.0008950200000000 ] - [ -0.0011068500000000, -0.0013320900000000, -0.0004564700000000 ] - [ 0.0685416800000000, -0.0337792000000000, -0.0355583000000000 ] - [ 0.0000485600000000, -0.0001721000000000, 0.0007327000000000 ] - [ -0.0016420200000000, 0.0012158900000000, -0.0026557600000000 ] - [ -0.0003044400000000, 0.0005808500000000, 0.0003799500000000 ] - [ -0.0003326800000000, -0.0006305600000000, 0.0003729700000000 ] - [ 0.0848336300000000, 0.0742345100000000, -0.0047116100000000 ] - [ -0.0000703800000000, -0.0000495000000000, 0.0008269500000000 ] - [ -0.0012180500000000, 0.0002301100000000, -0.0007604000000000 ] - [ 0.0000671700000000, -0.0000467900000000, 0.0011578300000000 ] - [ -0.0001872900000000, 0.0000129500000000, 0.0007423300000000 ] - [ 0.0008618000000000, -0.0010346300000000, -0.0006281400000000 ] - [ 0.0005149600000000, 0.0007183400000000, 0.0007973300000000 ] - [ 0.0003054000000000, -0.0008887100000000, 0.0019456500000000 ] - [ -0.0016945200000000, 0.0016067000000000, -0.0034873800000000 ] - [ -0.0001719800000000, 0.0000389900000000, 0.0007910700000000 ] - [ -0.0005266400000000, -0.0063778100000000, -0.0006360000000000 ] - [ 0.0005435800000000, -0.0001560100000000, -0.0024097400000000 ] - [ -0.0001777300000000, -0.0001201100000000, 0.0009124700000000 ] - [ 0.0024199900000000, -0.0037593900000000, -0.0026404300000000 ] - [ 0.0004261400000000, 0.0006293300000000, 0.0010969000000000 ] - [ 0.0006793700000000, -0.0006690600000000, 0.0013370700000000 ] - [ -0.0077412800000000, 0.0017081600000000, -0.0010579500000000 ] - [ -0.0002762700000000, -0.0009626800000000, 0.0015913600000000 ] - [ 0.0006385800000000, 0.0008017600000000, 0.0005021200000000 ] - [ 0.0015351900000000, -0.0004173700000000, 0.0016656800000000 ] - [ -0.0018740400000000, 0.0020971600000000, 0.0011205000000000 ] - [ 0.0167528800000000, 0.0045396700000000, -0.0085887700000000 ] - [ 0.0001361300000000, -0.0000952500000000, -0.0018500800000000 ] - [ 0.0004203800000000, 0.0003020000000000, -0.0015210700000000 ] - [ -0.0050333100000000, -0.0039432700000000, 0.0009849000000000 ] - [ 0.0103136400000000, -0.0071041600000000, -0.0053266400000000 ] - [ -0.0004100700000000, 0.0001441500000000, -0.0011199300000000 ] - [ -0.0000018500000000, -0.0000267900000000, -0.0012363200000000 ] - [ -0.0009042600000000, 0.0019993600000000, 0.0069455400000000 ] - [ -0.0000399200000000, 0.0001453600000000, -0.0007213700000000 ] - [ -0.0054550500000000, 0.0048510700000000, -0.0056064800000000 ] - [ -0.0008040600000000, -0.0002830200000000, -0.0009039800000000 ] - [ 0.0019502500000000, 0.0006010400000000, 0.0011376600000000 ] - [ 0.0001738600000000, -0.0004267300000000, -0.0015844600000000 ] - [ 0.0141910900000000, 0.0231774200000000, 0.0169944500000000 ] - [ 0.0031696000000000, -0.0042809800000000, 0.0017500900000000 ] - [ -0.0001548300000000, 0.0002682900000000, -0.0015746100000000 ] - [ 0.0000710500000000, -0.0011557400000000, 0.0006354200000000 ] - [ -0.0020632500000000, 0.0009468100000000, -0.0057227100000000 ] - [ 0.0003226900000000, -0.0001455400000000, 0.0000206300000000 ] - [ -0.0002240800000000, 0.0005119900000000, -0.0004976400000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004828500000000, -0.0001177900000000, 0.0006075600000000 ] - [ -0.0021806600000000, 0.0030885400000000, -0.0018607400000000 ] - [ 0.0009606200000000, -0.0001232200000000, 0.0022438900000000 ] - [ 0.0007782500000000, -0.0001456700000000, 0.0009859100000000 ] - [ -0.0016844300000000, -0.0012469700000000, 0.0017261200000000 ] - [ 0.0000021900000000, 0.0003001400000000, 0.0017963100000000 ] - [ -0.0006941100000000, 0.0010631600000000, -0.0005917800000000 ] - [ -0.0003318800000000, -0.0002387200000000, 0.0008058100000000 ] - [ 0.0001531700000000, -0.0004030900000000, 0.0003696300000000 ] - [ 0.3240112700000000, 0.0889388700000000, -0.1292018600000000 ] - [ 0.0000188900000000, 0.0004341000000000, 0.0008677000000000 ] - [ 0.0002365700000000, -0.0004614400000000, 0.0009236700000000 ] - [ -0.0005422400000000, 0.0013150500000000, 0.0004640200000000 ] - [ 0.0009066300000000, -0.0002225300000000, 0.0009402100000000 ] - [ -0.0059956900000000, 0.0025356700000000, -0.0035524600000000 ] - [ 0.0039166600000000, -0.0032265800000000, -0.0032300800000000 ] - [ -0.1477869300000000, -0.0327608400000000, 0.0896108500000000 ] - [ 0.0019079900000000, 0.0004274800000000, 0.0006913100000000 ] - [ -0.0026794200000000, -0.0031687200000000, -0.0029539100000000 ] - [ 0.0001856300000000, 0.0004928900000000, -0.0010740300000000 ] - [ -0.0001075700000000, 0.0006871500000000, -0.0021925200000000 ] - [ 0.0016741300000000, -0.0002980000000000, -0.0000965300000000 ] - [ 0.0000416000000000, -0.0004236600000000, -0.0007245500000000 ] - [ 0.0000796300000000, 0.0000270000000000, -0.0000036900000000 ] - [ -0.0010612600000000, -0.0023174300000000, -0.0020454100000000 ] - [ 0.0005567800000000, 0.0006173700000000, -0.0010164600000000 ] - [ 0.0001977400000000, 0.0006464100000000, -0.0007809200000000 ] - [ 0.0004441200000000, -0.0010014100000000, -0.0015518200000000 ] - [ 0.0000767900000000, -0.0011705600000000, 0.0047747400000000 ] - [ 0.0006682900000000, 0.0004420500000000, -0.0014433200000000 ] - [ -0.0008173300000000, 0.0014286500000000, -0.0001338400000000 ] - [ 0.0018214600000000, 0.0006972600000000, -0.0023938800000000 ] - [ -0.0006466200000000, -0.0002528800000000, 0.0009031500000000 ] - [ 0.0011375100000000, -0.0005984600000000, -0.0003579600000000 ] - [ 0.0003510700000000, 0.0001235400000000, -0.0011680600000000 ] - [ -0.0001778600000000, 0.0005833200000000, -0.0003543600000000 ] - [ -0.0001154500000000, -0.0000878600000000, -0.0006144000000000 ] - [ 0.0012185000000000, 0.0012023400000000, 0.0007298700000000 ] - [ -0.0680565800000000, 0.0343400100000000, 0.0364061900000000 ] - [ -0.0001664500000000, 0.0000375300000000, -0.0004477900000000 ] - [ 0.0023188600000000, -0.0023871700000000, 0.0020807500000000 ] - [ -0.0003741700000000, 0.0006303400000000, -0.0009476400000000 ] - [ -0.0003470500000000, -0.0005821900000000, -0.0009401100000000 ] - [ -0.0837776500000000, -0.0747970100000000, 0.0043133300000000 ] - [ -0.0004789100000000, -0.0000208300000000, -0.0008948600000000 ] - [ 0.0017481400000000, -0.0001538300000000, 0.0006788300000000 ] - [ 0.0004235900000000, -0.0007234100000000, -0.0020923300000000 ] - [ -0.0003620800000000, 0.0000569200000000, -0.0008111100000000 ] - [ -0.0016898100000000, 0.0000381400000000, 0.0005254800000000 ] - [ 0.0003211800000000, 0.0002835300000000, -0.0008884600000000 ] - [ 0.0005263400000000, -0.0001143700000000, -0.0020218800000000 ] - [ 0.0008602300000000, -0.0006223400000000, 0.0034211600000000 ] - [ -0.0001690800000000, -0.0003749900000000, -0.0007317200000000 ] - [ 0.0008783200000000, 0.0067083600000000, 0.0006951600000000 ] - [ -0.0002374000000000, -0.0002043800000000, 0.0024461800000000 ] - [ -0.0001642400000000, 0.0004555800000000, -0.0008509500000000 ] - [ -0.0027205200000000, 0.0025570200000000, 0.0031727700000000 ] - [ -0.0001089600000000, 0.0005544300000000, -0.0005421500000000 ] - [ -0.0003587700000000, -0.0005152600000000, -0.0007807500000000 ] - [ 0.0074040400000000, -0.0005627100000000, 0.0016315600000000 ] - [ -0.0013538300000000, -0.0009266500000000, -0.0008312200000000 ] - [ 0.0009987900000000, 0.0010968900000000, 0.0002516400000000 ] - [ 0.0000951600000000, -0.0014800000000000, -0.0009100100000000 ] - [ 0.0002204000000000, -0.0002060000000000, -0.0003726300000000 ] - [ -0.0174673200000000, -0.0043373900000000, 0.0075937800000000 ] - [ 0.0004646300000000, -0.0002214300000000, 0.0006869500000000 ] - [ 0.0001801600000000, 0.0000156800000000, 0.0003585500000000 ] - [ 0.0043641900000000, 0.0036082700000000, -0.0021383400000000 ] - [ -0.0099301500000000, 0.0070234700000000, 0.0049467800000000 ] - [ 0.0000391700000000, -0.0000947100000000, 0.0008065000000000 ] - [ -0.0003626700000000, -0.0000201400000000, 0.0009210300000000 ] - [ 0.0012952000000000, -0.0019618200000000, -0.0072296000000000 ] - [ -0.0008764300000000, 0.0001938000000000, 0.0014889700000000 ] - [ 0.0063964800000000, -0.0051988400000000, 0.0063970000000000 ] - [ -0.0001230700000000, -0.0000597600000000, 0.0016681100000000 ] - [ -0.0010326900000000, -0.0002508900000000, -0.0003722700000000 ] - [ -0.0001392700000000, -0.0001274700000000, 0.0017149700000000 ] - [ -0.0141363600000000, -0.0223177600000000, -0.0167423900000000 ] - [ -0.0031513500000000, 0.0037351600000000, -0.0015677900000000 ] - [ 0.0001916300000000, 0.0002849500000000, 0.0017045700000000 ] - [ -0.0005367400000000, -0.0002857200000000, -0.0002582300000000 ] - [ 0.0024884000000000, 0.0005134900000000, 0.0060695600000000 ] - [ 0.0001400500000000, -0.0013001200000000, 0.0003863800000000 ] - [ -0.0002402900000000, 0.0009284800000000, 0.0009078400000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003307700000000, -0.0003952400000000, -0.0000863500000000 ] - [ -0.0000288000000000, -0.0023348400000000, -0.0004396600000000 ] - [ 0.0006582900000000, -0.0000283600000000, 0.0000129800000000 ] - [ 0.0013071600000000, 0.0005637600000000, 0.0013218800000000 ] - [ -0.0002233500000000, 0.0008765600000000, -0.0021654200000000 ] - [ 0.0005817100000000, -0.0007883800000000, 0.0010558900000000 ] - [ -0.0007936900000000, -0.0000195000000000, 0.0022877600000000 ] - [ 0.0016225100000000, 0.0045814900000000, 0.0025296300000000 ] - [ 0.0000616500000000, 0.0003220200000000, 0.0011588400000000 ] - [ -0.0852818800000000, -0.4566949100000000, -0.0369209000000000 ] - [ -0.0000702400000000, 0.0004061900000000, 0.0006365800000000 ] - [ -0.0000986100000000, -0.0002574800000000, 0.0004732900000000 ] - [ 0.0009727400000000, 0.0055160000000000, -0.0017320200000000 ] - [ 0.0007059600000000, -0.0010346500000000, 0.0008479700000000 ] - [ -0.0030374500000000, -0.0083788600000000, -0.0058087700000000 ] - [ -0.0025255800000000, 0.0052401100000000, 0.0005179000000000 ] - [ 0.0375944400000000, 0.0660542200000000, -0.0320954900000000 ] - [ 0.0007363000000000, -0.0011282700000000, -0.0025187700000000 ] - [ -0.0011355500000000, -0.0053763100000000, -0.0037715300000000 ] - [ 0.0003221700000000, 0.0004899400000000, -0.0013005700000000 ] - [ -0.0001275200000000, 0.0013805000000000, 0.0043592900000000 ] - [ -0.0019990600000000, 0.0009993200000000, -0.0009786800000000 ] - [ -0.0005278200000000, -0.0021281900000000, -0.0010657500000000 ] - [ 0.0000461600000000, -0.0005834500000000, -0.0008897200000000 ] - [ 0.0013716700000000, 0.0014139300000000, -0.0012322300000000 ] - [ -0.0015745700000000, -0.0045084100000000, 0.0020729300000000 ] - [ 0.0001558900000000, 0.0004416800000000, -0.0007235300000000 ] - [ 0.0001772000000000, -0.0003272500000000, -0.0000944500000000 ] - [ -0.0029923800000000, 0.0057026400000000, -0.0007682600000000 ] - [ -0.0004896400000000, -0.0007634900000000, 0.0011590500000000 ] - [ -0.0000207200000000, -0.0022918400000000, -0.0017631400000000 ] - [ -0.0007614300000000, 0.0000056700000000, 0.0003876200000000 ] - [ -0.0016285600000000, 0.0016088300000000, -0.0001903400000000 ] - [ -0.0008803800000000, 0.0017647700000000, 0.0017313100000000 ] - [ -0.0000942100000000, -0.0008118800000000, 0.0002167400000000 ] - [ -0.0003769200000000, -0.0001212600000000, -0.0001775400000000 ] - [ -0.0000470700000000, -0.0000560600000000, -0.0002702900000000 ] - [ 0.0004299800000000, -0.0052772800000000, 0.0014539000000000 ] - [ -0.0374211800000000, 0.1316362700000000, 0.0739363800000000 ] - [ -0.0000730600000000, 0.0001076600000000, -0.0002716700000000 ] - [ 0.0015165100000000, -0.0028161200000000, -0.0008571900000000 ] - [ -0.0003427100000000, 0.0003823900000000, -0.0005546300000000 ] - [ -0.0002620200000000, -0.0006590800000000, -0.0006305900000000 ] - [ 0.0711847000000000, 0.2288477700000000, -0.0061015000000000 ] - [ -0.0003527700000000, -0.0002197800000000, -0.0002893100000000 ] - [ -0.0009122100000000, -0.0049424600000000, 0.0010172900000000 ] - [ 0.0001108300000000, -0.0002721000000000, -0.0012840300000000 ] - [ -0.0003770400000000, 0.0001836400000000, -0.0004321400000000 ] - [ 0.0010457600000000, -0.0029455400000000, -0.0008633600000000 ] - [ 0.0003657500000000, 0.0002049200000000, -0.0000209100000000 ] - [ 0.0010127600000000, 0.0002479500000000, -0.0029511600000000 ] - [ -0.0027554200000000, 0.0064526400000000, -0.0013509000000000 ] - [ -0.0000777200000000, -0.0000522500000000, -0.0001101800000000 ] - [ 0.0007183200000000, -0.0035199000000000, 0.0016997800000000 ] - [ 0.0051346800000000, -0.0009069300000000, 0.0045603500000000 ] - [ -0.0001055000000000, 0.0009904900000000, -0.0002109100000000 ] - [ -0.0000233600000000, -0.0085198600000000, -0.0000726900000000 ] - [ 0.0000902300000000, 0.0005256500000000, 0.0000401900000000 ] - [ -0.0002882400000000, -0.0002866800000000, -0.0004837900000000 ] - [ -0.0021370000000000, 0.0052397200000000, 0.0019135500000000 ] - [ -0.0016474000000000, -0.0051604900000000, 0.0020358300000000 ] - [ 0.0008139400000000, 0.0003893100000000, 0.0001302800000000 ] - [ 0.0008161100000000, -0.0000768800000000, 0.0004922200000000 ] - [ 0.0022254700000000, 0.0032818600000000, -0.0008749800000000 ] - [ 0.0100957800000000, -0.0098009900000000, -0.0111485000000000 ] - [ 0.0002369400000000, -0.0000869900000000, -0.0001822900000000 ] - [ 0.0003737700000000, 0.0003483000000000, -0.0002188200000000 ] - [ -0.0122900600000000, 0.0152444400000000, -0.0141314600000000 ] - [ -0.0011692100000000, -0.0041834900000000, 0.0018983000000000 ] - [ 0.0001484700000000, 0.0002432900000000, 0.0006849700000000 ] - [ -0.0004013800000000, 0.0007040500000000, 0.0003522000000000 ] - [ 0.0035734200000000, 0.0100164400000000, 0.0160978300000000 ] - [ -0.0003855400000000, -0.0008103300000000, 0.0003966100000000 ] - [ 0.0005337800000000, 0.0024698200000000, -0.0078108600000000 ] - [ -0.0007264300000000, -0.0002158700000000, -0.0002608600000000 ] - [ 0.0004174600000000, 0.0020648200000000, -0.0002098900000000 ] - [ 0.0001167200000000, -0.0006494900000000, 0.0008064500000000 ] - [ 0.0229130200000000, 0.0143025400000000, 0.0029749900000000 ] - [ -0.0060395700000000, 0.0210248100000000, -0.0012043600000000 ] - [ -0.0000289100000000, 0.0001021000000000, 0.0008670100000000 ] - [ 0.0000805400000000, -0.0015261000000000, 0.0008997500000000 ] - [ 0.0020281700000000, -0.0051370400000000, 0.0130736800000000 ] - [ 0.0006259200000000, 0.0022670800000000, -0.0004017300000000 ] - [ -0.0007214800000000, 0.0014486500000000, 0.0018208800000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000697600000000, -0.0003737500000000, -0.0003302700000000 ] - [ -0.0016307700000000, 0.0026350300000000, 0.0012938900000000 ] - [ 0.0009973800000000, -0.0002560400000000, 0.0008522000000000 ] - [ 0.0003423700000000, -0.0002881500000000, -0.0004699100000000 ] - [ -0.0014355500000000, -0.0011679000000000, 0.0030337400000000 ] - [ -0.0005643900000000, 0.0013120100000000, -0.0011873600000000 ] - [ 0.0007755800000000, -0.0004967700000000, -0.0024303800000000 ] - [ -0.0016440300000000, -0.0040756200000000, -0.0026684100000000 ] - [ -0.0000400900000000, -0.0008386200000000, -0.0012960800000000 ] - [ 0.0953916800000000, 0.4676971200000000, 0.0307447800000000 ] - [ -0.0002707400000000, 0.0006590200000000, -0.0001910300000000 ] - [ -0.0002420200000000, -0.0008099700000000, -0.0000276000000000 ] - [ -0.0006207300000000, -0.0044536100000000, 0.0021727700000000 ] - [ -0.0003055800000000, 0.0018080900000000, -0.0012673000000000 ] - [ 0.0026515300000000, 0.0075244800000000, 0.0054143100000000 ] - [ 0.0021470500000000, -0.0044773700000000, -0.0009611900000000 ] - [ -0.0369925600000000, -0.0667424600000000, 0.0320762500000000 ] - [ -0.0012325300000000, 0.0019067900000000, 0.0015807300000000 ] - [ 0.0006638300000000, 0.0046356000000000, 0.0028320200000000 ] - [ 0.0001680900000000, 0.0002797600000000, 0.0003610800000000 ] - [ 0.0002387000000000, -0.0020105300000000, -0.0044575500000000 ] - [ 0.0021387000000000, -0.0004272300000000, 0.0014739800000000 ] - [ 0.0004003800000000, 0.0015573000000000, 0.0015562400000000 ] - [ -0.0001756400000000, 0.0011629900000000, 0.0013817600000000 ] - [ -0.0012454400000000, -0.0020076100000000, 0.0017233000000000 ] - [ 0.0010934500000000, 0.0036525800000000, -0.0023951600000000 ] - [ 0.0003338300000000, 0.0004235400000000, 0.0004067900000000 ] - [ 0.0003112000000000, -0.0005385200000000, -0.0002300100000000 ] - [ 0.0025133100000000, -0.0048512200000000, 0.0004619700000000 ] - [ 0.0006722100000000, 0.0007250400000000, -0.0018215600000000 ] - [ -0.0001597600000000, 0.0023435500000000, 0.0011181500000000 ] - [ 0.0005891300000000, -0.0000413100000000, -0.0010574300000000 ] - [ 0.0018153200000000, -0.0015736900000000, -0.0004593400000000 ] - [ 0.0009962500000000, -0.0011498800000000, -0.0018130200000000 ] - [ -0.0000158400000000, 0.0001939400000000, -0.0002936000000000 ] - [ 0.0002676400000000, 0.0007509200000000, 0.0001044400000000 ] - [ -0.0000704100000000, 0.0001895600000000, 0.0005476500000000 ] - [ -0.0003149300000000, 0.0051541100000000, -0.0011766100000000 ] - [ 0.0350039400000000, -0.1266961400000000, -0.0677497500000000 ] - [ -0.0000439100000000, -0.0002414100000000, 0.0005465500000000 ] - [ -0.0008532800000000, 0.0016011000000000, 0.0003000300000000 ] - [ -0.0003363400000000, 0.0008299800000000, -0.0000172400000000 ] - [ -0.0004173300000000, -0.0005512500000000, 0.0000587400000000 ] - [ -0.0780764600000000, -0.2438326400000000, 0.0061283900000000 ] - [ -0.0001978900000000, 0.0001495800000000, 0.0002147400000000 ] - [ 0.0014586900000000, 0.0050119600000000, -0.0010965400000000 ] - [ 0.0003812300000000, -0.0005022900000000, 0.0003420300000000 ] - [ -0.0001736800000000, -0.0001130100000000, 0.0003577400000000 ] - [ -0.0018912900000000, 0.0019454000000000, 0.0007880900000000 ] - [ 0.0004699000000000, 0.0007950000000000, -0.0000779700000000 ] - [ -0.0001809300000000, -0.0012476800000000, 0.0028608300000000 ] - [ 0.0019053900000000, -0.0054561200000000, 0.0012458600000000 ] - [ -0.0002634900000000, -0.0002875300000000, 0.0001647000000000 ] - [ -0.0003974500000000, 0.0038726700000000, -0.0016329600000000 ] - [ -0.0047583100000000, 0.0005897000000000, -0.0044876700000000 ] - [ -0.0002358200000000, -0.0006546100000000, 0.0002651900000000 ] - [ -0.0002917300000000, 0.0073626300000000, 0.0006347100000000 ] - [ 0.0002252700000000, 0.0006572200000000, 0.0005081000000000 ] - [ 0.0006046000000000, -0.0008972100000000, 0.0010334000000000 ] - [ 0.0018513500000000, -0.0040456000000000, -0.0013535300000000 ] - [ 0.0000112500000000, 0.0032841100000000, -0.0012956100000000 ] - [ 0.0008203100000000, 0.0015060800000000, 0.0006239200000000 ] - [ 0.0008195700000000, -0.0018221400000000, 0.0002551700000000 ] - [ -0.0038644600000000, -0.0013969000000000, 0.0016238000000000 ] - [ -0.0106963500000000, 0.0101653200000000, 0.0099593600000000 ] - [ 0.0003644800000000, -0.0002318000000000, -0.0009736100000000 ] - [ 0.0002262400000000, -0.0000324500000000, -0.0009383800000000 ] - [ 0.0117910800000000, -0.0156906100000000, 0.0130990000000000 ] - [ 0.0015271500000000, 0.0041953300000000, -0.0021953100000000 ] - [ -0.0005170500000000, -0.0001989100000000, -0.0009936800000000 ] - [ 0.0000346300000000, -0.0007534100000000, -0.0006585800000000 ] - [ -0.0032572100000000, -0.0100137200000000, -0.0165036800000000 ] - [ -0.0005386800000000, 0.0011532300000000, 0.0003779700000000 ] - [ 0.0004029300000000, -0.0028527700000000, 0.0085482900000000 ] - [ -0.0001934100000000, -0.0001223400000000, 0.0010383700000000 ] - [ 0.0005027200000000, -0.0017300200000000, 0.0009690700000000 ] - [ -0.0000807700000000, 0.0000984200000000, -0.0006651900000000 ] - [ -0.0227462200000000, -0.0137735300000000, -0.0028105700000000 ] - [ 0.0059455200000000, -0.0215290800000000, 0.0014018600000000 ] - [ 0.0000654000000000, 0.0004540900000000, -0.0007266900000000 ] - [ -0.0005443000000000, 0.0000860300000000, -0.0004801700000000 ] - [ -0.0015643600000000, 0.0066074900000000, -0.0126876700000000 ] - [ -0.0001657200000000, -0.0037188700000000, 0.0008157700000000 ] - [ 0.0002583900000000, -0.0000044800000000, -0.0014191200000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008863700000000, -0.0000389100000000, 0.0013522000000000 ] - [ -0.0006557400000000, -0.0021945500000000, 0.0030780100000000 ] - [ 0.0009524200000000, -0.0003873500000000, 0.0029019500000000 ] - [ 0.0006143100000000, -0.0004004900000000, 0.0015318500000000 ] - [ -0.0020154000000000, -0.0020914700000000, 0.0003915700000000 ] - [ -0.0000589800000000, 0.0004240800000000, 0.0029056400000000 ] - [ -0.0008449100000000, 0.0022095900000000, 0.0007954600000000 ] - [ 0.0003034400000000, 0.0014825400000000, 0.0013790100000000 ] - [ 0.0003160400000000, 0.0000336300000000, 0.0016574900000000 ] - [ 0.1306094200000000, -0.0389142100000000, -0.3228575600000000 ] - [ 0.0004760900000000, 0.0001200400000000, 0.0017221800000000 ] - [ 0.0005319400000000, -0.0002822000000000, 0.0015345000000000 ] - [ -0.0000675000000000, 0.0024881400000000, -0.0007407600000000 ] - [ 0.0012226600000000, -0.0007995300000000, 0.0020857500000000 ] - [ 0.0027503700000000, -0.0058213600000000, -0.0059333700000000 ] - [ 0.0032939700000000, -0.0016926100000000, -0.0036578400000000 ] - [ -0.0870738400000000, -0.0274931700000000, 0.1370147700000000 ] - [ 0.0027815000000000, -0.0008152100000000, 0.0002803100000000 ] - [ -0.0029666000000000, -0.0035248900000000, -0.0023866300000000 ] - [ 0.0001803800000000, 0.0003838000000000, -0.0022572300000000 ] - [ 0.0006786400000000, 0.0025408800000000, -0.0010443500000000 ] - [ 0.0009242000000000, -0.0011805700000000, -0.0014404800000000 ] - [ -0.0001243500000000, -0.0013868800000000, -0.0014474300000000 ] - [ 0.0000775200000000, -0.0006530300000000, -0.0009268100000000 ] - [ -0.0004394500000000, -0.0020421800000000, -0.0029990600000000 ] - [ -0.0001241800000000, -0.0009361200000000, 0.0003792500000000 ] - [ 0.0002602400000000, 0.0009110500000000, -0.0014828500000000 ] - [ 0.0002255700000000, -0.0010177200000000, -0.0023008400000000 ] - [ -0.0047905900000000, 0.0008336500000000, -0.0012135800000000 ] - [ 0.0006209100000000, 0.0007192100000000, -0.0013391500000000 ] - [ -0.0005515300000000, 0.0008587100000000, -0.0006894600000000 ] - [ 0.0004953600000000, 0.0010391600000000, -0.0028950900000000 ] - [ -0.0005876600000000, 0.0005543500000000, -0.0022553100000000 ] - [ -0.0003947400000000, 0.0021330700000000, -0.0005649500000000 ] - [ 0.0001932500000000, 0.0003163900000000, -0.0014957400000000 ] - [ -0.0000657600000000, 0.0010299000000000, -0.0008712200000000 ] - [ -0.0001734400000000, -0.0002680500000000, -0.0013164900000000 ] - [ 0.0016678700000000, -0.0005681900000000, 0.0017088500000000 ] - [ -0.0376281100000000, 0.0709606100000000, 0.1259859400000000 ] - [ -0.0001547500000000, 0.0002331300000000, -0.0016648600000000 ] - [ 0.0020701900000000, -0.0024825600000000, 0.0029809800000000 ] - [ -0.0003853600000000, 0.0005350500000000, -0.0015903400000000 ] - [ -0.0003680500000000, -0.0004998800000000, -0.0015947500000000 ] - [ -0.0034176500000000, -0.0049062500000000, 0.0543783900000000 ] - [ -0.0006245300000000, -0.0000779400000000, -0.0016706400000000 ] - [ 0.0014898200000000, -0.0012430600000000, 0.0031574500000000 ] - [ 0.0004254400000000, -0.0009776700000000, -0.0031658300000000 ] - [ -0.0006573500000000, 0.0001066200000000, -0.0018101500000000 ] - [ -0.0013288100000000, -0.0011660600000000, 0.0008608800000000 ] - [ 0.0002372100000000, 0.0000383800000000, -0.0015558400000000 ] - [ 0.0005698700000000, 0.0002604300000000, -0.0035063900000000 ] - [ -0.0048152500000000, 0.0027039300000000, -0.0003560700000000 ] - [ -0.0001692900000000, -0.0003494400000000, -0.0015731900000000 ] - [ 0.0010300600000000, 0.0051548100000000, 0.0024288100000000 ] - [ 0.0004625600000000, 0.0033803200000000, 0.0061346100000000 ] - [ -0.0001459200000000, 0.0008227700000000, -0.0016771800000000 ] - [ -0.0029642300000000, -0.0006670300000000, 0.0042966600000000 ] - [ -0.0004183900000000, 0.0005303200000000, -0.0013474300000000 ] - [ -0.0007164300000000, -0.0004072700000000, -0.0018320900000000 ] - [ 0.0053484100000000, 0.0017920500000000, 0.0062836500000000 ] - [ -0.0015997100000000, -0.0021728000000000, 0.0000327500000000 ] - [ 0.0007688200000000, 0.0007092900000000, -0.0002611900000000 ] - [ 0.0006800200000000, -0.0012361600000000, -0.0015730300000000 ] - [ 0.0012272600000000, 0.0003707200000000, -0.0013555100000000 ] - [ -0.0103194200000000, -0.0058150700000000, -0.0028733200000000 ] - [ 0.0004221500000000, -0.0002917700000000, 0.0016662600000000 ] - [ 0.0002377300000000, 0.0000191900000000, 0.0012703000000000 ] - [ 0.0026735600000000, -0.0054280700000000, -0.0033080600000000 ] - [ -0.0078272500000000, 0.0069032100000000, 0.0039594300000000 ] - [ 0.0000743900000000, 0.0002617300000000, 0.0021601200000000 ] - [ -0.0004076500000000, 0.0002365800000000, 0.0019452000000000 ] - [ 0.0035123100000000, 0.0078734400000000, 0.0002161800000000 ] - [ -0.0005309600000000, -0.0002056800000000, 0.0027329300000000 ] - [ 0.0025395100000000, -0.0095551600000000, 0.0109493500000000 ] - [ -0.0003093200000000, -0.0004680200000000, 0.0024348400000000 ] - [ -0.0002675800000000, -0.0009217600000000, -0.0003633300000000 ] - [ 0.0000169700000000, -0.0001277300000000, 0.0034757800000000 ] - [ 0.0070645500000000, -0.0028394100000000, -0.0209305400000000 ] - [ -0.0061872400000000, 0.0106015000000000, -0.0085311600000000 ] - [ 0.0000920400000000, 0.0003218900000000, 0.0033271600000000 ] - [ -0.0000002400000000, -0.0005357400000000, 0.0041632000000000 ] - [ 0.0011993100000000, 0.0024058400000000, 0.0170316600000000 ] - [ 0.0002050700000000, -0.0007152200000000, 0.0002911700000000 ] - [ -0.0002315000000000, 0.0012984800000000, 0.0017746300000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004872600000000, -0.0007354900000000, -0.0017751200000000 ] - [ -0.0009848100000000, 0.0024257200000000, -0.0021839300000000 ] - [ 0.0007015900000000, 0.0001094700000000, -0.0020471100000000 ] - [ 0.0010396900000000, 0.0006833400000000, -0.0006724200000000 ] - [ 0.0003481600000000, 0.0017828500000000, 0.0004384300000000 ] - [ 0.0000792600000000, 0.0000937900000000, -0.0030509900000000 ] - [ 0.0008254500000000, -0.0027060400000000, -0.0009521000000000 ] - [ -0.0003162100000000, -0.0009561400000000, -0.0015278600000000 ] - [ -0.0002967900000000, -0.0005528100000000, -0.0017901800000000 ] - [ -0.1345446900000000, 0.0287175400000000, 0.3234172700000000 ] - [ -0.0008189000000000, 0.0009478900000000, -0.0012789500000000 ] - [ -0.0008740800000000, -0.0007832800000000, -0.0010910900000000 ] - [ 0.0004199100000000, -0.0014163100000000, 0.0011793500000000 ] - [ -0.0008217300000000, 0.0015648200000000, -0.0025026300000000 ] - [ -0.0031638300000000, 0.0050650700000000, 0.0056440700000000 ] - [ -0.0037095500000000, 0.0024686900000000, 0.0032617600000000 ] - [ 0.0938654100000000, 0.0295592400000000, -0.1408775200000000 ] - [ -0.0032845000000000, 0.0015793300000000, -0.0011974900000000 ] - [ 0.0024955200000000, 0.0027410800000000, 0.0014593800000000 ] - [ 0.0003111200000000, 0.0003911700000000, 0.0013151800000000 ] - [ -0.0005594000000000, -0.0031329000000000, 0.0009736500000000 ] - [ -0.0007909400000000, 0.0017682700000000, 0.0019280900000000 ] - [ -0.0000091600000000, 0.0007945800000000, 0.0019485800000000 ] - [ -0.0002085600000000, 0.0012264900000000, 0.0014304900000000 ] - [ 0.0005676400000000, 0.0014810100000000, 0.0035043800000000 ] - [ -0.0003644400000000, 0.0000795600000000, -0.0006624800000000 ] - [ 0.0002283400000000, -0.0000466500000000, 0.0011632400000000 ] - [ 0.0002641100000000, 0.0001521700000000, 0.0019825300000000 ] - [ 0.0042513500000000, 0.0000450500000000, 0.0008629000000000 ] - [ -0.0004363800000000, -0.0007547600000000, 0.0006949900000000 ] - [ 0.0003741700000000, -0.0008221900000000, 0.0000292300000000 ] - [ -0.0006694900000000, -0.0010863500000000, 0.0022375300000000 ] - [ 0.0007660500000000, -0.0005033500000000, 0.0015888900000000 ] - [ 0.0004916500000000, -0.0014824300000000, 0.0004956000000000 ] - [ -0.0003047300000000, -0.0009448700000000, 0.0014223000000000 ] - [ -0.0000439400000000, -0.0004107400000000, 0.0007968000000000 ] - [ 0.0000562300000000, 0.0004027100000000, 0.0015941600000000 ] - [ -0.0015515100000000, 0.0004309200000000, -0.0014229300000000 ] - [ 0.0351427400000000, -0.0652326000000000, -0.1218294900000000 ] - [ 0.0000375300000000, -0.0003671000000000, 0.0019458200000000 ] - [ -0.0013900700000000, 0.0012748200000000, -0.0035512300000000 ] - [ -0.0002937500000000, 0.0006747900000000, 0.0010205800000000 ] - [ -0.0003101900000000, -0.0007126900000000, 0.0010245200000000 ] - [ 0.0046722900000000, 0.0075665200000000, -0.0551036900000000 ] - [ 0.0000743000000000, 0.0000075500000000, 0.0015991500000000 ] - [ -0.0009559600000000, 0.0013042400000000, -0.0032552000000000 ] - [ 0.0000652600000000, 0.0002089000000000, 0.0022328000000000 ] - [ 0.0001071400000000, -0.0000364800000000, 0.0017385000000000 ] - [ 0.0004951500000000, 0.0001696900000000, -0.0009759700000000 ] - [ 0.0005979900000000, 0.0009629200000000, 0.0014671200000000 ] - [ 0.0002683000000000, -0.0012581300000000, 0.0033996600000000 ] - [ 0.0040572500000000, -0.0017279900000000, 0.0002449000000000 ] - [ -0.0001722700000000, 0.0000143600000000, 0.0016316400000000 ] - [ -0.0006883900000000, -0.0048199400000000, -0.0023869000000000 ] - [ -0.0000996200000000, -0.0037305200000000, -0.0061031400000000 ] - [ -0.0001950200000000, -0.0004814400000000, 0.0017344300000000 ] - [ 0.0026625800000000, -0.0005384000000000, -0.0037632500000000 ] - [ 0.0007358800000000, 0.0006534800000000, 0.0019002000000000 ] - [ 0.0010313800000000, -0.0007750600000000, 0.0023816500000000 ] - [ -0.0056295300000000, -0.0006030900000000, -0.0057576600000000 ] - [ -0.0000397500000000, 0.0002696600000000, 0.0007355100000000 ] - [ 0.0008667800000000, 0.0011881200000000, 0.0010096200000000 ] - [ 0.0009537800000000, -0.0006595800000000, 0.0023321900000000 ] - [ -0.0028489500000000, 0.0015143200000000, 0.0021133400000000 ] - [ 0.0097002100000000, 0.0060984200000000, 0.0016305300000000 ] - [ 0.0001786800000000, -0.0000236500000000, -0.0028267000000000 ] - [ 0.0003630400000000, 0.0002995800000000, -0.0024293800000000 ] - [ -0.0032730300000000, 0.0050755400000000, 0.0020837300000000 ] - [ 0.0082286000000000, -0.0069665800000000, -0.0042381600000000 ] - [ -0.0004397000000000, -0.0002106800000000, -0.0024709800000000 ] - [ 0.0000388200000000, -0.0002811000000000, -0.0022585700000000 ] - [ -0.0031683500000000, -0.0078849300000000, -0.0004633500000000 ] - [ -0.0003912900000000, 0.0005431200000000, -0.0019643000000000 ] - [ -0.0015933000000000, 0.0093192800000000, -0.0102615900000000 ] - [ -0.0006121800000000, 0.0001226900000000, -0.0016682900000000 ] - [ 0.0011846600000000, 0.0012708800000000, 0.0011478400000000 ] - [ 0.0000202100000000, -0.0004282300000000, -0.0033403100000000 ] - [ -0.0071228900000000, 0.0033420200000000, 0.0209523900000000 ] - [ 0.0061516300000000, -0.0111352900000000, 0.0087036700000000 ] - [ -0.0000573200000000, 0.0002294700000000, -0.0031916200000000 ] - [ -0.0004691800000000, -0.0009101800000000, -0.0037762900000000 ] - [ -0.0007570000000000, -0.0009075600000000, -0.0164910800000000 ] - [ 0.0002575700000000, -0.0007347000000000, 0.0000947900000000 ] - [ -0.0002287500000000, 0.0001391500000000, -0.0013534200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003384000000000, -0.0003153600000000, 0.0001756900000000 ] - [ -0.0016885500000000, 0.0012207200000000, -0.0008641800000000 ] - [ 0.0019991400000000, -0.0011042400000000, 0.0022180500000000 ] - [ 0.0005748300000000, 0.0000653700000000, 0.0002464400000000 ] - [ -0.0013791700000000, -0.0010234800000000, 0.0012717500000000 ] - [ 0.0001737500000000, -0.0000263500000000, 0.0004918000000000 ] - [ -0.0007545000000000, 0.0015872500000000, -0.0009405500000000 ] - [ -0.0002349000000000, -0.0001060900000000, -0.0004205300000000 ] - [ 0.0006880600000000, 0.0004692200000000, 0.0013863200000000 ] - [ 0.1482940500000000, 0.0353796200000000, -0.0867012300000000 ] - [ -0.0000838100000000, 0.0004309800000000, 0.0006042000000000 ] - [ 0.0000327400000000, -0.0004557200000000, 0.0005710800000000 ] - [ -0.0013117700000000, 0.0017205300000000, 0.0014437500000000 ] - [ 0.0006289500000000, -0.0000762100000000, 0.0005166900000000 ] - [ -0.0079744900000000, -0.0017903100000000, 0.0059417300000000 ] - [ 0.0029855400000000, -0.0017569600000000, -0.0021352100000000 ] - [ -0.2189680800000000, -0.0528746600000000, 0.1458195800000000 ] - [ 0.0029498100000000, 0.0000930100000000, 0.0013878800000000 ] - [ -0.0032373600000000, -0.0011023100000000, 0.0000179000000000 ] - [ 0.0000967900000000, 0.0005492600000000, -0.0015689700000000 ] - [ 0.0000057100000000, 0.0005600600000000, -0.0014538700000000 ] - [ 0.0028202600000000, -0.0011180700000000, -0.0022243100000000 ] - [ -0.0000396500000000, -0.0007241900000000, 0.0000874700000000 ] - [ 0.0000102100000000, -0.0000828100000000, 0.0004160400000000 ] - [ -0.0019577700000000, -0.0002774700000000, -0.0000007900000000 ] - [ 0.0005238500000000, 0.0005788000000000, -0.0009240100000000 ] - [ 0.0002243500000000, 0.0004578600000000, -0.0003004700000000 ] - [ 0.0001352500000000, -0.0006133300000000, -0.0013798400000000 ] - [ -0.0009726300000000, -0.0014475600000000, 0.0037597700000000 ] - [ 0.0005420400000000, 0.0003690500000000, -0.0010199100000000 ] - [ 0.0000113100000000, 0.0000112400000000, 0.0001144300000000 ] - [ 0.0006402800000000, 0.0015476600000000, -0.0034525000000000 ] - [ -0.0006037800000000, 0.0001529000000000, 0.0004097000000000 ] - [ 0.0005634200000000, 0.0001417700000000, 0.0000459900000000 ] - [ -0.0010275600000000, 0.0001114200000000, -0.0001788100000000 ] - [ 0.0003289000000000, 0.0005103800000000, -0.0000567700000000 ] - [ -0.0001293500000000, -0.0000289100000000, -0.0002526500000000 ] - [ 0.0019765300000000, 0.0020432200000000, 0.0002678400000000 ] - [ 0.0144668600000000, -0.0132402700000000, -0.0405317100000000 ] - [ -0.0000232900000000, 0.0000400400000000, -0.0002547600000000 ] - [ 0.0020520700000000, -0.0031534600000000, 0.0022118700000000 ] - [ -0.0003899400000000, 0.0005952100000000, -0.0005878600000000 ] - [ -0.0002937200000000, -0.0005793400000000, -0.0006215400000000 ] - [ 0.0179828700000000, 0.0345015000000000, -0.0217686000000000 ] - [ -0.0003768900000000, -0.0000312700000000, -0.0004773100000000 ] - [ 0.0023877900000000, -0.0003351000000000, 0.0000703000000000 ] - [ 0.0002584200000000, -0.0003489700000000, -0.0008591600000000 ] - [ -0.0003034600000000, 0.0000429600000000, -0.0004735100000000 ] - [ -0.0019416000000000, -0.0004124700000000, -0.0002083600000000 ] - [ 0.0003561700000000, 0.0004120500000000, -0.0003599300000000 ] - [ 0.0005612500000000, -0.0002669300000000, -0.0014409400000000 ] - [ 0.0055724200000000, -0.0000735500000000, 0.0000483600000000 ] - [ -0.0001652600000000, -0.0002314800000000, -0.0003936600000000 ] - [ -0.0024329900000000, 0.0067307000000000, -0.0013710200000000 ] - [ 0.0043606000000000, 0.0012606800000000, -0.0002286300000000 ] - [ -0.0001669300000000, 0.0004015400000000, -0.0004800100000000 ] - [ -0.0022797500000000, 0.0009487500000000, 0.0020896600000000 ] - [ 0.0000573000000000, 0.0005700000000000, -0.0001510000000000 ] - [ -0.0002314200000000, -0.0005121500000000, -0.0003321800000000 ] - [ 0.0161185200000000, 0.0016060900000000, -0.0004350300000000 ] - [ -0.0011333300000000, -0.0007787900000000, 0.0000359300000000 ] - [ 0.0005965700000000, 0.0005287600000000, 0.0000130000000000 ] - [ 0.0008091100000000, -0.0004412000000000, 0.0005583800000000 ] - [ 0.0005997000000000, 0.0000721500000000, -0.0005058000000000 ] - [ -0.0081680300000000, 0.0003491300000000, -0.0005941700000000 ] - [ 0.0004118900000000, -0.0001589900000000, -0.0001549900000000 ] - [ 0.0002420900000000, 0.0001590000000000, -0.0000820000000000 ] - [ 0.0047145200000000, -0.0014836900000000, -0.0003188200000000 ] - [ 0.0101031300000000, -0.0052368600000000, -0.0034930500000000 ] - [ -0.0000016200000000, 0.0000500700000000, 0.0003277400000000 ] - [ -0.0003185300000000, 0.0000106900000000, 0.0003580700000000 ] - [ -0.0012311400000000, -0.0034336700000000, -0.0050002100000000 ] - [ -0.0007517300000000, 0.0001090700000000, 0.0010519400000000 ] - [ 0.0070308300000000, -0.0027398000000000, 0.0033072900000000 ] - [ -0.0002050800000000, -0.0002333800000000, 0.0010277300000000 ] - [ -0.0009713700000000, -0.0002469400000000, 0.0005884400000000 ] - [ 0.0001607500000000, -0.0002141100000000, 0.0010980200000000 ] - [ 0.0091398900000000, -0.0004519300000000, -0.0013375400000000 ] - [ -0.0037599100000000, 0.0036061300000000, -0.0011155500000000 ] - [ -0.0000975800000000, 0.0002795000000000, 0.0009693900000000 ] - [ -0.0017137000000000, -0.0012473600000000, 0.0004860400000000 ] - [ 0.0025778900000000, 0.0009566300000000, 0.0055323700000000 ] - [ -0.0001590100000000, -0.0013748000000000, -0.0004600900000000 ] - [ 0.0003748100000000, 0.0009195800000000, 0.0009434000000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000610300000000, -0.0004555700000000, -0.0005961500000000 ] - [ 0.0000372400000000, -0.0009469000000000, 0.0017250000000000 ] - [ -0.0003418500000000, 0.0008195200000000, -0.0013606500000000 ] - [ 0.0010749000000000, 0.0002141900000000, 0.0006040800000000 ] - [ -0.0002723500000000, 0.0007437300000000, -0.0004192400000000 ] - [ -0.0001560600000000, 0.0005489600000000, -0.0006376100000000 ] - [ 0.0007331500000000, -0.0021092000000000, 0.0008084900000000 ] - [ 0.0002155800000000, 0.0006231500000000, 0.0002799500000000 ] - [ -0.0006646200000000, -0.0009811000000000, -0.0015143700000000 ] - [ -0.1539199400000000, -0.0392659800000000, 0.0942740900000000 ] - [ -0.0002580800000000, 0.0006347500000000, -0.0001603300000000 ] - [ -0.0003752000000000, -0.0006106000000000, -0.0001278200000000 ] - [ 0.0016540500000000, -0.0006498900000000, -0.0010020900000000 ] - [ -0.0002307400000000, 0.0008486000000000, -0.0009383600000000 ] - [ 0.0075644700000000, 0.0010094800000000, -0.0063247100000000 ] - [ -0.0034032900000000, 0.0025543700000000, 0.0017171800000000 ] - [ 0.2247330300000000, 0.0560697200000000, -0.1535458900000000 ] - [ -0.0034503500000000, 0.0006783500000000, -0.0023417300000000 ] - [ 0.0027345200000000, 0.0003309200000000, -0.0009565400000000 ] - [ 0.0003933100000000, 0.0002229100000000, 0.0006256100000000 ] - [ 0.0001037800000000, -0.0011839500000000, 0.0013814500000000 ] - [ -0.0026714600000000, 0.0016892200000000, 0.0027016800000000 ] - [ -0.0000908000000000, 0.0001455900000000, 0.0004086300000000 ] - [ -0.0001396500000000, 0.0006614600000000, 0.0000755400000000 ] - [ 0.0020857600000000, -0.0002909600000000, 0.0005136800000000 ] - [ -0.0010146900000000, -0.0014443200000000, 0.0006091000000000 ] - [ 0.0002652800000000, 0.0004061300000000, -0.0000143700000000 ] - [ 0.0003515900000000, -0.0002496200000000, 0.0010606900000000 ] - [ 0.0004796300000000, 0.0023124100000000, -0.0040811100000000 ] - [ -0.0003635600000000, -0.0004126200000000, 0.0003673300000000 ] - [ -0.0001849400000000, 0.0000262200000000, -0.0007651300000000 ] - [ -0.0008223000000000, -0.0015830700000000, 0.0027837600000000 ] - [ 0.0007855300000000, -0.0001088200000000, -0.0010654200000000 ] - [ -0.0004543300000000, 0.0004854500000000, -0.0001192000000000 ] - [ 0.0009125100000000, -0.0007323600000000, 0.0001071200000000 ] - [ -0.0004351300000000, 0.0001160600000000, -0.0000150100000000 ] - [ 0.0000116000000000, 0.0001628400000000, 0.0005323600000000 ] - [ -0.0018582700000000, -0.0021825700000000, 0.0000100400000000 ] - [ -0.0142645000000000, 0.0134368100000000, 0.0412066200000000 ] - [ -0.0000932100000000, -0.0001734100000000, 0.0005324000000000 ] - [ -0.0013746700000000, 0.0019329400000000, -0.0027748300000000 ] - [ -0.0002890500000000, 0.0006163200000000, 0.0000187300000000 ] - [ -0.0003849200000000, -0.0006313600000000, 0.0000521700000000 ] - [ -0.0172359300000000, -0.0336454400000000, 0.0214566600000000 ] - [ -0.0001733600000000, -0.0000392000000000, 0.0004064200000000 ] - [ -0.0018348200000000, 0.0004056300000000, -0.0001425800000000 ] - [ 0.0002318300000000, -0.0004218800000000, -0.0000713900000000 ] - [ -0.0002472000000000, 0.0000277900000000, 0.0004019000000000 ] - [ 0.0011018700000000, -0.0005983800000000, 0.0001202900000000 ] - [ 0.0004796700000000, 0.0005882700000000, 0.0002663000000000 ] - [ 0.0002724400000000, -0.0007333500000000, 0.0013509200000000 ] - [ -0.0064182000000000, 0.0010673700000000, -0.0001682100000000 ] - [ -0.0001758700000000, -0.0001060300000000, 0.0004519200000000 ] - [ 0.0027386000000000, -0.0064219300000000, 0.0014289900000000 ] - [ -0.0040132600000000, -0.0015688000000000, 0.0002736600000000 ] - [ -0.0001745200000000, -0.0000643900000000, 0.0005385100000000 ] - [ 0.0019696900000000, -0.0021361700000000, -0.0015452600000000 ] - [ 0.0002595800000000, 0.0006131200000000, 0.0007029600000000 ] - [ 0.0005484900000000, -0.0006710400000000, 0.0008850300000000 ] - [ -0.0162425000000000, -0.0004050400000000, 0.0010033500000000 ] - [ -0.0005011600000000, -0.0011167900000000, 0.0007181500000000 ] - [ 0.0010347900000000, 0.0013634900000000, 0.0007373900000000 ] - [ 0.0008316400000000, -0.0014523700000000, 0.0001997100000000 ] - [ -0.0022367000000000, 0.0018258100000000, 0.0012554900000000 ] - [ 0.0075639100000000, -0.0000296300000000, -0.0005765200000000 ] - [ 0.0001888900000000, -0.0001583100000000, -0.0010070100000000 ] - [ 0.0003585600000000, 0.0001589600000000, -0.0010778900000000 ] - [ -0.0053126100000000, 0.0011496300000000, -0.0008245900000000 ] - [ -0.0093717300000000, 0.0047896400000000, 0.0028601800000000 ] - [ -0.0003675500000000, -0.0000035700000000, -0.0006382300000000 ] - [ -0.0000480400000000, -0.0000574300000000, -0.0006687100000000 ] - [ 0.0015734000000000, 0.0034745800000000, 0.0046834800000000 ] - [ -0.0001702200000000, 0.0002305200000000, -0.0002825800000000 ] - [ -0.0060993000000000, 0.0024391200000000, -0.0026077200000000 ] - [ -0.0007175600000000, -0.0001064200000000, -0.0002594100000000 ] - [ 0.0019000200000000, 0.0005830200000000, 0.0001832800000000 ] - [ -0.0001228000000000, -0.0003392300000000, -0.0009627000000000 ] - [ -0.0090311100000000, 0.0012151900000000, 0.0017083800000000 ] - [ 0.0037091100000000, -0.0041554800000000, 0.0012476900000000 ] - [ 0.0001312900000000, 0.0002750800000000, -0.0008353700000000 ] - [ 0.0012439300000000, -0.0002014300000000, -0.0000633800000000 ] - [ -0.0021125300000000, 0.0004926800000000, -0.0051154000000000 ] - [ 0.0006179900000000, -0.0000669300000000, 0.0008682300000000 ] - [ -0.0008317500000000, 0.0005215200000000, -0.0005370700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001605000000000, -0.0004762400000000, -0.0002730900000000 ] - [ -0.0011252800000000, 0.0003544500000000, 0.0008348000000000 ] - [ 0.0004799900000000, 0.0004212200000000, 0.0009058100000000 ] - [ 0.0007927500000000, -0.0002755100000000, 0.0009761300000000 ] - [ -0.0010280400000000, -0.0006010800000000, 0.0013456700000000 ] - [ -0.0010550200000000, 0.0027946700000000, -0.0021718900000000 ] - [ 0.0001443500000000, 0.0011907500000000, -0.0019624500000000 ] - [ -0.0005874200000000, -0.0012587100000000, -0.0014633200000000 ] - [ -0.0007301800000000, -0.0015768800000000, -0.0016964900000000 ] - [ 0.0341582600000000, 0.0661627900000000, -0.0281528200000000 ] - [ -0.0001924000000000, 0.0006811900000000, 0.0001526400000000 ] - [ -0.0001555400000000, -0.0007178200000000, 0.0001814300000000 ] - [ -0.0000235700000000, -0.0044413300000000, 0.0014924200000000 ] - [ 0.0001403700000000, 0.0006309400000000, -0.0003574700000000 ] - [ -0.0001674400000000, 0.0034108500000000, 0.0013742400000000 ] - [ 0.0042156300000000, -0.0078240300000000, -0.0001196500000000 ] - [ -0.0542142500000000, -0.1152851500000000, 0.0303749400000000 ] - [ 0.0027949500000000, 0.0005752100000000, 0.0023590700000000 ] - [ -0.0014861000000000, 0.0009712600000000, 0.0015175500000000 ] - [ 0.0003587400000000, 0.0002864100000000, 0.0004421200000000 ] - [ 0.0001051400000000, -0.0005241800000000, -0.0013800900000000 ] - [ -0.0008781900000000, 0.0015528200000000, 0.0030259200000000 ] - [ 0.0000688800000000, -0.0000490600000000, 0.0008844900000000 ] - [ -0.0002075200000000, 0.0003975100000000, 0.0011082500000000 ] - [ 0.0006422100000000, 0.0001462400000000, 0.0042754200000000 ] - [ 0.0002026100000000, 0.0011567500000000, -0.0010597700000000 ] - [ 0.0003718900000000, 0.0007325700000000, -0.0004220000000000 ] - [ 0.0003909100000000, -0.0008923900000000, -0.0005678900000000 ] - [ -0.0002279100000000, -0.0021466800000000, -0.0004539700000000 ] - [ 0.0003668600000000, 0.0003100200000000, -0.0008526500000000 ] - [ -0.0004420800000000, 0.0017629000000000, -0.0005550200000000 ] - [ 0.0010054500000000, -0.0013186700000000, -0.0008815300000000 ] - [ 0.0004367800000000, -0.0003233000000000, -0.0006983800000000 ] - [ 0.0003944400000000, 0.0002162900000000, -0.0007485300000000 ] - [ 0.0007067400000000, 0.0000097500000000, -0.0010052700000000 ] - [ -0.0002235600000000, 0.0003915800000000, -0.0004664800000000 ] - [ -0.0000525200000000, 0.0002248500000000, 0.0002176300000000 ] - [ 0.0013856100000000, 0.0045268900000000, -0.0007419000000000 ] - [ -0.0137994700000000, -0.0123202400000000, 0.0191165300000000 ] - [ -0.0000753800000000, -0.0002296600000000, 0.0002438400000000 ] - [ -0.0017027400000000, 0.0036442000000000, -0.0018692100000000 ] - [ -0.0003593000000000, 0.0007319500000000, -0.0003139500000000 ] - [ -0.0003803300000000, -0.0006782400000000, -0.0002872500000000 ] - [ 0.0398936100000000, 0.0239172700000000, -0.0257282500000000 ] - [ -0.0002796700000000, 0.0000912700000000, 0.0000057100000000 ] - [ 0.0006501600000000, 0.0027461600000000, -0.0000501700000000 ] - [ 0.0004243000000000, -0.0005935500000000, 0.0007566300000000 ] - [ -0.0002677800000000, -0.0000811800000000, 0.0000399500000000 ] - [ -0.0010978900000000, 0.0047222000000000, -0.0015189900000000 ] - [ 0.0004208400000000, 0.0006527300000000, 0.0000333500000000 ] - [ 0.0003602900000000, -0.0006912700000000, 0.0003054000000000 ] - [ -0.0003786000000000, -0.0028392200000000, 0.0001303200000000 ] - [ -0.0002090900000000, -0.0001258200000000, 0.0000360200000000 ] - [ 0.0033073100000000, 0.0158240300000000, -0.0028209600000000 ] - [ -0.0026994100000000, -0.0007534000000000, 0.0000030000000000 ] - [ -0.0001890100000000, 0.0000132400000000, 0.0000392300000000 ] - [ -0.0017763300000000, 0.0033880400000000, 0.0014496000000000 ] - [ 0.0002090700000000, 0.0007031800000000, 0.0003457900000000 ] - [ 0.0002350000000000, -0.0007494800000000, 0.0003885000000000 ] - [ 0.0024008700000000, -0.0035488500000000, -0.0006919200000000 ] - [ -0.0006715500000000, 0.0003595100000000, 0.0000662900000000 ] - [ 0.0010940200000000, 0.0019765900000000, 0.0004642800000000 ] - [ 0.0009105000000000, -0.0030957300000000, -0.0002219300000000 ] - [ -0.0011822400000000, -0.0005245900000000, 0.0006234400000000 ] - [ -0.0026484800000000, 0.0029053200000000, 0.0027662700000000 ] - [ 0.0003639000000000, -0.0000323600000000, -0.0003055800000000 ] - [ 0.0002679500000000, -0.0000540800000000, -0.0004664700000000 ] - [ 0.0021273500000000, -0.0057776900000000, 0.0045178400000000 ] - [ -0.0053837000000000, 0.0085727200000000, 0.0026816600000000 ] - [ -0.0001829500000000, 0.0001009600000000, -0.0003629400000000 ] - [ -0.0001858800000000, -0.0002287200000000, -0.0003195700000000 ] - [ -0.0025306000000000, -0.0056737300000000, -0.0051193200000000 ] - [ -0.0004769100000000, 0.0004404000000000, 0.0004841900000000 ] - [ -0.0009486700000000, 0.0083956900000000, -0.0031662900000000 ] - [ -0.0003776000000000, -0.0002999600000000, 0.0006132000000000 ] - [ -0.0007972900000000, -0.0011375700000000, 0.0014983500000000 ] - [ 0.0000239700000000, 0.0000034600000000, -0.0002198500000000 ] - [ -0.0012006000000000, 0.0132456600000000, 0.0038394300000000 ] - [ 0.0013133400000000, -0.0040624700000000, -0.0004192400000000 ] - [ 0.0000090100000000, 0.0000959800000000, -0.0002384700000000 ] - [ 0.0000008800000000, 0.0009505300000000, -0.0006649200000000 ] - [ -0.0004472900000000, 0.0026321200000000, -0.0010458500000000 ] - [ -0.0000038900000000, -0.0024238000000000, -0.0001112400000000 ] - [ -0.0002857800000000, -0.0013885200000000, 0.0000556800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002411700000000, -0.0002946000000000, -0.0001423700000000 ] - [ -0.0005226400000000, -0.0000888000000000, 0.0000260500000000 ] - [ 0.0011730100000000, -0.0006997600000000, -0.0000394600000000 ] - [ 0.0008586900000000, 0.0005513000000000, -0.0001141400000000 ] - [ -0.0006278500000000, 0.0003143800000000, -0.0004890500000000 ] - [ 0.0010727100000000, -0.0022714800000000, 0.0020339300000000 ] - [ -0.0001677900000000, -0.0016873900000000, 0.0018179700000000 ] - [ 0.0005674500000000, 0.0017780600000000, 0.0013282900000000 ] - [ 0.0007486000000000, 0.0010544100000000, 0.0015642800000000 ] - [ -0.0340876500000000, -0.0666355900000000, 0.0288618600000000 ] - [ -0.0001480000000000, 0.0003845000000000, 0.0002959400000000 ] - [ -0.0001838600000000, -0.0003482200000000, 0.0002670700000000 ] - [ 0.0003602200000000, 0.0055128100000000, -0.0010547300000000 ] - [ 0.0002632300000000, 0.0001339000000000, -0.0000541500000000 ] - [ -0.0002543100000000, -0.0041738100000000, -0.0017948100000000 ] - [ -0.0045694800000000, 0.0085497900000000, -0.0003176500000000 ] - [ 0.0546838100000000, 0.1143378600000000, -0.0306722600000000 ] - [ -0.0032364800000000, 0.0001922500000000, -0.0032698200000000 ] - [ 0.0009725900000000, -0.0017532600000000, -0.0024560200000000 ] - [ 0.0001330700000000, 0.0004867100000000, -0.0013858100000000 ] - [ 0.0000071600000000, -0.0000914600000000, 0.0013034900000000 ] - [ 0.0010137600000000, -0.0009766800000000, -0.0025337200000000 ] - [ -0.0001990800000000, -0.0005356600000000, -0.0003949500000000 ] - [ 0.0000760800000000, 0.0001769200000000, -0.0006128700000000 ] - [ -0.0005162900000000, -0.0007157700000000, -0.0037875400000000 ] - [ -0.0006891000000000, -0.0020201100000000, 0.0007423700000000 ] - [ 0.0001174800000000, 0.0001337500000000, 0.0000989300000000 ] - [ 0.0000990400000000, 0.0000233200000000, 0.0002405100000000 ] - [ -0.0002774600000000, 0.0030103000000000, 0.0001297500000000 ] - [ -0.0001856900000000, -0.0003513500000000, 0.0001950300000000 ] - [ 0.0002614700000000, -0.0017132600000000, -0.0001009900000000 ] - [ -0.0011736300000000, 0.0012758800000000, 0.0002095200000000 ] - [ -0.0002632400000000, 0.0003708200000000, 0.0000357600000000 ] - [ -0.0002871200000000, 0.0004151300000000, 0.0006749500000000 ] - [ -0.0008147700000000, -0.0006324800000000, 0.0009237100000000 ] - [ 0.0001125000000000, 0.0002331100000000, 0.0003880800000000 ] - [ -0.0000649000000000, -0.0000920900000000, 0.0000550600000000 ] - [ -0.0012647200000000, -0.0046625900000000, 0.0010287400000000 ] - [ 0.0140747600000000, 0.0122147600000000, -0.0190627000000000 ] - [ -0.0000420900000000, 0.0000960300000000, 0.0000301200000000 ] - [ 0.0023983500000000, -0.0048669900000000, 0.0013148600000000 ] - [ -0.0003201300000000, 0.0004790500000000, -0.0002606900000000 ] - [ -0.0002986400000000, -0.0005343200000000, -0.0002875800000000 ] - [ -0.0397267300000000, -0.0228308800000000, 0.0254640200000000 ] - [ -0.0002717300000000, -0.0001621900000000, -0.0000827600000000 ] - [ -0.0000898400000000, -0.0026801100000000, -0.0000126100000000 ] - [ 0.0000677600000000, -0.0001800500000000, -0.0017004700000000 ] - [ -0.0002833900000000, 0.0001512600000000, -0.0001172100000000 ] - [ 0.0002503900000000, -0.0057057800000000, 0.0014084500000000 ] - [ 0.0004140700000000, 0.0003459900000000, -0.0001317300000000 ] - [ 0.0004772500000000, -0.0003066100000000, -0.0004152400000000 ] - [ -0.0004222600000000, 0.0038373600000000, -0.0002104100000000 ] - [ -0.0001319200000000, -0.0002124300000000, 0.0000163200000000 ] - [ -0.0028697800000000, -0.0152594600000000, 0.0028324200000000 ] - [ 0.0030320800000000, 0.0004098800000000, 0.0000695300000000 ] - [ -0.0001519700000000, 0.0003274400000000, 0.0000123900000000 ] - [ 0.0014364700000000, -0.0045593900000000, -0.0008738100000000 ] - [ 0.0001061200000000, 0.0004797800000000, 0.0002004900000000 ] - [ 0.0000783300000000, -0.0004336800000000, 0.0001553600000000 ] - [ -0.0026811300000000, 0.0047162200000000, 0.0012570700000000 ] - [ -0.0009671500000000, -0.0022589200000000, 0.0006826700000000 ] - [ 0.0005421900000000, -0.0000778400000000, 0.0002838600000000 ] - [ 0.0007231800000000, 0.0011897000000000, 0.0009698700000000 ] - [ -0.0004393300000000, 0.0024138400000000, 0.0001216700000000 ] - [ 0.0020131400000000, -0.0026053000000000, -0.0039230200000000 ] - [ 0.0002376500000000, -0.0002847800000000, -0.0008449900000000 ] - [ 0.0003323800000000, 0.0003705900000000, -0.0006853800000000 ] - [ -0.0027127300000000, 0.0054559600000000, -0.0056977200000000 ] - [ 0.0060285500000000, -0.0087123600000000, -0.0031923100000000 ] - [ -0.0001824200000000, -0.0000525900000000, 0.0000605600000000 ] - [ -0.0001827800000000, 0.0001825100000000, 0.0000159100000000 ] - [ 0.0029164100000000, 0.0057140300000000, 0.0047996400000000 ] - [ -0.0004456800000000, -0.0001026400000000, 0.0002927300000000 ] - [ 0.0017682300000000, -0.0085750100000000, 0.0036289100000000 ] - [ -0.0005441400000000, -0.0000421800000000, 0.0001627300000000 ] - [ 0.0017031500000000, 0.0014753400000000, -0.0007253100000000 ] - [ 0.0000124000000000, -0.0005573300000000, 0.0003675200000000 ] - [ 0.0015244000000000, -0.0122858800000000, -0.0033104700000000 ] - [ -0.0013674600000000, 0.0035640500000000, 0.0005237700000000 ] - [ 0.0000271400000000, 0.0004562000000000, 0.0003854300000000 ] - [ -0.0004678400000000, -0.0023896200000000, 0.0010737400000000 ] - [ 0.0009157400000000, -0.0011930200000000, 0.0015197800000000 ] - [ 0.0004650400000000, 0.0009736300000000, 0.0005166300000000 ] - [ -0.0001739700000000, 0.0028248800000000, 0.0003670100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006904700000000, -0.0009666600000000, -0.0022644900000000 ] - [ -0.0014555000000000, 0.0023498100000000, -0.0025396500000000 ] - [ 0.0005885800000000, 0.0001090000000000, -0.0031191600000000 ] - [ 0.0008729700000000, 0.0008454100000000, -0.0012583100000000 ] - [ -0.0001838900000000, 0.0007549600000000, -0.0006383300000000 ] - [ 0.0000286600000000, 0.0000511200000000, -0.0042524000000000 ] - [ 0.0008141000000000, -0.0012637600000000, -0.0025303500000000 ] - [ -0.0003038300000000, -0.0005556200000000, -0.0023432800000000 ] - [ -0.0003602200000000, -0.0004879700000000, -0.0016385100000000 ] - [ -0.0961598200000000, -0.0337427100000000, 0.1410127500000000 ] - [ -0.0009490000000000, 0.0009396400000000, -0.0015559500000000 ] - [ -0.0010326700000000, -0.0007976500000000, -0.0014166400000000 ] - [ -0.0005445900000000, -0.0005182600000000, 0.0034220400000000 ] - [ -0.0009001300000000, 0.0014285000000000, -0.0027613700000000 ] - [ -0.0026488200000000, 0.0012923500000000, 0.0070698200000000 ] - [ -0.0035030300000000, 0.0013551000000000, 0.0040557600000000 ] - [ 0.1532502000000000, 0.0310355300000000, -0.2105734700000000 ] - [ 0.0007258900000000, 0.0013032200000000, 0.0013103900000000 ] - [ -0.0002305100000000, 0.0021026700000000, 0.0018006200000000 ] - [ 0.0003530800000000, 0.0003857700000000, 0.0013995300000000 ] - [ -0.0002674300000000, -0.0016677900000000, 0.0010718500000000 ] - [ -0.0012616700000000, 0.0016456400000000, 0.0017754400000000 ] - [ -0.0000664600000000, 0.0001289300000000, 0.0023769400000000 ] - [ -0.0003599500000000, 0.0010428800000000, 0.0023681100000000 ] - [ 0.0010628900000000, 0.0038267800000000, 0.0051903300000000 ] - [ -0.0004172300000000, -0.0007972100000000, 0.0002058300000000 ] - [ 0.0002135100000000, -0.0001811800000000, 0.0015501000000000 ] - [ 0.0001139500000000, 0.0005785600000000, 0.0027683900000000 ] - [ 0.0014439800000000, -0.0015156600000000, 0.0041331700000000 ] - [ -0.0000966300000000, -0.0004033800000000, 0.0011370400000000 ] - [ 0.0010412300000000, -0.0020845500000000, 0.0000979500000000 ] - [ -0.0027409800000000, -0.0017057900000000, 0.0036074100000000 ] - [ 0.0004484100000000, -0.0003742500000000, 0.0024803800000000 ] - [ 0.0005182300000000, -0.0010207600000000, 0.0010223000000000 ] - [ -0.0008546300000000, -0.0013116200000000, 0.0020490300000000 ] - [ 0.0003023100000000, -0.0005371000000000, 0.0009551000000000 ] - [ 0.0000683100000000, 0.0004713300000000, 0.0018945900000000 ] - [ 0.0015537200000000, 0.0035778100000000, -0.0022708900000000 ] - [ -0.0396089300000000, 0.0180354200000000, 0.0347828300000000 ] - [ 0.0001571400000000, -0.0003976900000000, 0.0020888500000000 ] - [ -0.0000170400000000, 0.0000030000000000, -0.0044574900000000 ] - [ -0.0003227500000000, 0.0006545100000000, 0.0013693100000000 ] - [ -0.0002504500000000, -0.0007310700000000, 0.0013110700000000 ] - [ -0.0183120900000000, -0.0179349200000000, -0.0076384800000000 ] - [ 0.0001645400000000, 0.0000065200000000, 0.0019752500000000 ] - [ 0.0003813900000000, 0.0000593100000000, -0.0039233500000000 ] - [ -0.0000784100000000, 0.0004475200000000, 0.0031683700000000 ] - [ 0.0001602700000000, -0.0000409400000000, 0.0021396800000000 ] - [ 0.0005612700000000, 0.0007659600000000, -0.0023860200000000 ] - [ 0.0006000000000000, 0.0011337000000000, 0.0021413800000000 ] - [ 0.0004166200000000, -0.0012799100000000, 0.0032043100000000 ] - [ 0.0029288200000000, -0.0007413400000000, -0.0034686100000000 ] - [ -0.0001849500000000, 0.0001509700000000, 0.0020530900000000 ] - [ -0.0018572400000000, -0.0051078600000000, -0.0070586800000000 ] - [ 0.0022569400000000, -0.0019142800000000, -0.0055722600000000 ] - [ -0.0001536400000000, -0.0004249000000000, 0.0020534600000000 ] - [ 0.0021604300000000, -0.0011603300000000, -0.0040921000000000 ] - [ 0.0009277900000000, 0.0006888800000000, 0.0023308800000000 ] - [ 0.0010595700000000, -0.0007436500000000, 0.0027426900000000 ] - [ 0.0006982600000000, -0.0002636500000000, -0.0079602100000000 ] - [ -0.0004181100000000, -0.0002948800000000, 0.0014234500000000 ] - [ 0.0007184000000000, 0.0010647500000000, 0.0007794500000000 ] - [ 0.0016517900000000, -0.0001137900000000, 0.0031138100000000 ] - [ -0.0019660100000000, 0.0007851000000000, 0.0025342500000000 ] - [ 0.0029538900000000, 0.0022773100000000, 0.0002543400000000 ] - [ 0.0000861100000000, 0.0000300600000000, -0.0034939100000000 ] - [ 0.0004196300000000, 0.0004394100000000, -0.0028650200000000 ] - [ -0.0015789600000000, 0.0031097700000000, -0.0004504100000000 ] - [ -0.0019380600000000, 0.0017454400000000, 0.0090343200000000 ] - [ -0.0002794300000000, -0.0001567500000000, -0.0030445300000000 ] - [ -0.0000979600000000, -0.0002337200000000, -0.0028204300000000 ] - [ -0.0021058900000000, -0.0027388000000000, 0.0061112200000000 ] - [ -0.0005582300000000, 0.0004917900000000, -0.0024802400000000 ] - [ 0.0014670100000000, -0.0023871700000000, 0.0103026100000000 ] - [ -0.0004666600000000, 0.0000251800000000, -0.0022063600000000 ] - [ 0.0011065800000000, 0.0013635900000000, 0.0028221800000000 ] - [ 0.0002252600000000, -0.0005882900000000, -0.0041196300000000 ] - [ -0.0008866100000000, 0.0058923600000000, 0.0243853000000000 ] - [ 0.0021555100000000, -0.0060017800000000, 0.0074572300000000 ] - [ -0.0002360000000000, 0.0001871400000000, -0.0039110800000000 ] - [ -0.0002911200000000, -0.0014386600000000, -0.0022937200000000 ] - [ -0.0003406600000000, 0.0012261200000000, -0.0082817600000000 ] - [ 0.0000620300000000, -0.0011602500000000, -0.0016512800000000 ] - [ 0.0002573800000000, -0.0000223400000000, -0.0009958500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010933700000000, 0.0002018500000000, 0.0018537500000000 ] - [ -0.0001990600000000, -0.0020611600000000, 0.0034098100000000 ] - [ 0.0010617500000000, -0.0003880700000000, 0.0039943200000000 ] - [ 0.0007813000000000, -0.0005719200000000, 0.0021293300000000 ] - [ -0.0014721500000000, -0.0010400500000000, 0.0015115600000000 ] - [ -0.0000113200000000, 0.0004691900000000, 0.0041454400000000 ] - [ -0.0008334200000000, 0.0007475100000000, 0.0024065700000000 ] - [ 0.0002826800000000, 0.0010680700000000, 0.0022228900000000 ] - [ 0.0003782700000000, -0.0000300300000000, 0.0015079700000000 ] - [ 0.0902981300000000, 0.0304830200000000, -0.1368770900000000 ] - [ 0.0006067300000000, 0.0001375700000000, 0.0019999000000000 ] - [ 0.0006913600000000, -0.0002810800000000, 0.0018605600000000 ] - [ 0.0008924200000000, 0.0015829300000000, -0.0029828500000000 ] - [ 0.0013042400000000, -0.0006638500000000, 0.0023509500000000 ] - [ 0.0022593900000000, -0.0020681400000000, -0.0075253200000000 ] - [ 0.0030830200000000, -0.0005525900000000, -0.0044889200000000 ] - [ -0.1460685600000000, -0.0300443000000000, 0.2068581600000000 ] - [ -0.0012288500000000, -0.0005353800000000, -0.0022498700000000 ] - [ -0.0002505000000000, -0.0028659500000000, -0.0027440800000000 ] - [ 0.0001351100000000, 0.0003794500000000, -0.0023405900000000 ] - [ 0.0003740000000000, 0.0010389200000000, -0.0011582600000000 ] - [ 0.0013933800000000, -0.0010685300000000, -0.0012720100000000 ] - [ -0.0000631700000000, -0.0007028000000000, -0.0018874500000000 ] - [ 0.0002304100000000, -0.0004673200000000, -0.0018766000000000 ] - [ -0.0009346800000000, -0.0044506400000000, -0.0047310500000000 ] - [ -0.0000657300000000, -0.0000518600000000, -0.0005317200000000 ] - [ 0.0002745500000000, 0.0010441700000000, -0.0018737000000000 ] - [ 0.0003748100000000, -0.0014447300000000, -0.0030971400000000 ] - [ -0.0019258200000000, 0.0023684500000000, -0.0044339500000000 ] - [ 0.0002774500000000, 0.0003672200000000, -0.0018025500000000 ] - [ -0.0012316900000000, 0.0021485000000000, -0.0007532200000000 ] - [ 0.0025898900000000, 0.0016767700000000, -0.0042849500000000 ] - [ -0.0002688500000000, 0.0004090700000000, -0.0031401700000000 ] - [ -0.0004095800000000, 0.0016491100000000, -0.0011022400000000 ] - [ 0.0007567100000000, 0.0006876800000000, -0.0021314300000000 ] - [ -0.0004159000000000, 0.0011721100000000, -0.0010321600000000 ] - [ -0.0001836600000000, -0.0003394500000000, -0.0016203900000000 ] - [ -0.0014327600000000, -0.0036835100000000, 0.0025471900000000 ] - [ 0.0389915400000000, -0.0176091400000000, -0.0341415900000000 ] - [ -0.0002734400000000, 0.0002649300000000, -0.0018152000000000 ] - [ 0.0006922800000000, -0.0012083700000000, 0.0038930000000000 ] - [ -0.0003629500000000, 0.0005674000000000, -0.0019463700000000 ] - [ -0.0004358200000000, -0.0004901800000000, -0.0018879300000000 ] - [ 0.0190689800000000, 0.0192690900000000, 0.0067758400000000 ] - [ -0.0007179200000000, -0.0000793500000000, -0.0020556600000000 ] - [ 0.0001675500000000, 0.0000192800000000, 0.0038578100000000 ] - [ 0.0005693200000000, -0.0012191900000000, -0.0041231400000000 ] - [ -0.0007136900000000, 0.0001137600000000, -0.0022204600000000 ] - [ -0.0013930400000000, -0.0017885100000000, 0.0023224900000000 ] - [ 0.0002345400000000, -0.0001349700000000, -0.0022449800000000 ] - [ 0.0004176000000000, 0.0002810400000000, -0.0033084300000000 ] - [ -0.0037786000000000, 0.0017464000000000, 0.0034066100000000 ] - [ -0.0001532900000000, -0.0004943900000000, -0.0020014000000000 ] - [ 0.0021716300000000, 0.0053756200000000, 0.0071631100000000 ] - [ -0.0019172700000000, 0.0015669700000000, 0.0056586800000000 ] - [ -0.0001847700000000, 0.0007675800000000, -0.0020020700000000 ] - [ -0.0024643100000000, -0.0000249000000000, 0.0046422400000000 ] - [ -0.0006235800000000, 0.0004982600000000, -0.0017937900000000 ] - [ -0.0007550700000000, -0.0004441400000000, -0.0022064400000000 ] - [ -0.0010518400000000, 0.0014457500000000, 0.0085244100000000 ] - [ -0.0012193600000000, -0.0015916900000000, -0.0006791800000000 ] - [ 0.0009193100000000, 0.0008265200000000, -0.0000240400000000 ] - [ -0.0000211500000000, -0.0017834100000000, -0.0023740300000000 ] - [ 0.0003256900000000, 0.0010992600000000, -0.0017848900000000 ] - [ -0.0035730900000000, -0.0019488900000000, -0.0013907800000000 ] - [ 0.0005154700000000, -0.0003472700000000, 0.0023493000000000 ] - [ 0.0001802900000000, -0.0001257800000000, 0.0017154000000000 ] - [ 0.0010033300000000, -0.0034473300000000, -0.0006790400000000 ] - [ 0.0024937600000000, -0.0019466900000000, -0.0094219600000000 ] - [ -0.0000901400000000, 0.0002023900000000, 0.0027491100000000 ] - [ -0.0002716800000000, 0.0001867800000000, 0.0025251800000000 ] - [ 0.0024703300000000, 0.0027793900000000, -0.0064730500000000 ] - [ -0.0003640500000000, -0.0001537200000000, 0.0032586000000000 ] - [ -0.0008007000000000, 0.0024767000000000, -0.0101159800000000 ] - [ -0.0004541000000000, -0.0003625700000000, 0.0029855900000000 ] - [ -0.0001768900000000, -0.0010301300000000, -0.0020812400000000 ] - [ -0.0001890100000000, 0.0000364100000000, 0.0042686400000000 ] - [ 0.0012493200000000, -0.0048229400000000, -0.0238168200000000 ] - [ -0.0022077400000000, 0.0054322200000000, -0.0073083000000000 ] - [ 0.0002765200000000, 0.0003673300000000, 0.0040597000000000 ] - [ -0.0001645700000000, 0.0000025900000000, 0.0027041900000000 ] - [ 0.0007970700000000, 0.0002287900000000, 0.0087024600000000 ] - [ 0.0003953300000000, -0.0002903900000000, 0.0020729200000000 ] - [ -0.0007250600000000, 0.0014692100000000, 0.0014008400000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002296600000000, 0.0001374900000000, 0.0000295100000000 ] - [ 0.0014799800000000, -0.0017189000000000, 0.0046323900000000 ] - [ 0.0008061300000000, -0.0001312200000000, 0.0002412900000000 ] - [ 0.0008543800000000, 0.0001844000000000, 0.0004520300000000 ] - [ -0.0013516800000000, -0.0003288700000000, -0.0021638200000000 ] - [ 0.0000106500000000, 0.0002430100000000, -0.0002164400000000 ] - [ 0.0579170800000000, -0.0129901200000000, 0.0251645500000000 ] - [ -0.0020021200000000, -0.0001329500000000, 0.0005283100000000 ] - [ -0.0000018400000000, -0.0002664500000000, -0.0000997600000000 ] - [ -0.0019731300000000, 0.0004413600000000, 0.0032366300000000 ] - [ -0.0003521200000000, 0.0004214700000000, 0.0000309900000000 ] - [ -0.0001180700000000, -0.0006338900000000, 0.0002724200000000 ] - [ 0.0026504300000000, 0.0014573200000000, -0.0025408500000000 ] - [ 0.0000357600000000, 0.0004692000000000, -0.0004047600000000 ] - [ 0.0015007600000000, 0.0018398400000000, -0.0011880200000000 ] - [ -0.0029586100000000, 0.0034901400000000, 0.0019873600000000 ] - [ 0.0034468100000000, 0.0029479000000000, 0.0009367700000000 ] - [ -0.0605268300000000, 0.0364673700000000, -0.0342487000000000 ] - [ 0.0082025200000000, -0.0012791700000000, -0.0006206800000000 ] - [ 0.0002567900000000, 0.0003784000000000, -0.0004151500000000 ] - [ 0.0013544300000000, -0.0004090800000000, 0.0003624500000000 ] - [ -0.0000323300000000, 0.0003690900000000, 0.0002518600000000 ] - [ 0.0007676900000000, 0.0001458000000000, 0.0001377500000000 ] - [ -0.0196121400000000, -0.0007221500000000, -0.0045933200000000 ] - [ 0.0001498900000000, -0.0001669600000000, 0.0004336400000000 ] - [ -0.0004620600000000, 0.0032119600000000, 0.0013741100000000 ] - [ 0.0002463400000000, 0.0004091700000000, -0.0001612800000000 ] - [ 0.0002333100000000, -0.0003761400000000, 0.0000018000000000 ] - [ 0.0029260700000000, 0.0063340600000000, -0.0024485800000000 ] - [ -0.0014576100000000, -0.0004045900000000, 0.0003471700000000 ] - [ -0.0000492300000000, -0.0000238100000000, -0.0004345100000000 ] - [ -0.0001766700000000, -0.0000472700000000, -0.0000860400000000 ] - [ 0.0001696100000000, -0.0002315200000000, -0.0017357500000000 ] - [ -0.0014031000000000, -0.0001335200000000, -0.0007949300000000 ] - [ -0.0000454800000000, -0.0003557300000000, 0.0000849700000000 ] - [ -0.0000775500000000, 0.0002754600000000, -0.0000387500000000 ] - [ -0.0000793600000000, 0.0000615200000000, 0.0001542400000000 ] - [ -0.0034267600000000, -0.0095016900000000, 0.0074345400000000 ] - [ 0.0055262500000000, -0.0028067700000000, -0.0023041500000000 ] - [ -0.0000187100000000, -0.0000744300000000, 0.0002856100000000 ] - [ -0.0002379900000000, -0.0013750400000000, 0.0004480300000000 ] - [ -0.0003573400000000, 0.0007392700000000, -0.0002169200000000 ] - [ -0.0002994800000000, -0.0004942200000000, -0.0003009500000000 ] - [ 0.0011075100000000, 0.0009658300000000, -0.0010895000000000 ] - [ -0.0004076900000000, -0.0001608100000000, -0.0001369000000000 ] - [ -0.0027465100000000, 0.0012852600000000, -0.0000185600000000 ] - [ 0.0002288700000000, -0.0003595800000000, -0.0003303400000000 ] - [ -0.0002431300000000, 0.0002273800000000, 0.0002882600000000 ] - [ 0.0001752900000000, -0.0011938400000000, -0.0006710300000000 ] - [ 0.0005474800000000, 0.0003683100000000, -0.0006699100000000 ] - [ 0.0006275700000000, -0.0003503400000000, 0.0003411500000000 ] - [ -0.0007119600000000, -0.0000536100000000, 0.0002393900000000 ] - [ -0.0004696900000000, -0.0006016900000000, 0.0001709400000000 ] - [ 0.0012448000000000, -0.0033148500000000, 0.0029812100000000 ] - [ -0.0012155900000000, -0.0027450100000000, -0.0021658600000000 ] - [ 0.0001270700000000, 0.0000465300000000, 0.0002489900000000 ] - [ 0.0059614600000000, 0.0011518400000000, -0.0024021100000000 ] - [ 0.0001109600000000, 0.0004520300000000, 0.0001916500000000 ] - [ 0.0002664600000000, -0.0006323500000000, 0.0004900500000000 ] - [ -0.0035385400000000, 0.0012924000000000, 0.0021406700000000 ] - [ 0.0001837700000000, -0.0010256900000000, 0.0000451200000000 ] - [ 0.0008312900000000, 0.0009549700000000, 0.0003815200000000 ] - [ 0.0008485300000000, -0.0009374900000000, 0.0004978800000000 ] - [ -0.0067982300000000, -0.0236347800000000, 0.0167967500000000 ] - [ 0.0021465100000000, 0.0010278400000000, 0.0012585100000000 ] - [ 0.0002954300000000, -0.0001848800000000, -0.0007066100000000 ] - [ 0.0003028000000000, 0.0001460500000000, -0.0006186900000000 ] - [ -0.0018014500000000, -0.0008153700000000, -0.0010176300000000 ] - [ 0.0005268800000000, -0.0005740100000000, -0.0006561800000000 ] - [ -0.0003771200000000, -0.0002009300000000, 0.0002233400000000 ] - [ -0.0000312600000000, -0.0001216800000000, -0.0004561800000000 ] - [ 0.0000616900000000, -0.0006192300000000, 0.0002179600000000 ] - [ 0.0001656700000000, 0.0008585400000000, -0.0009144700000000 ] - [ -0.0003583600000000, 0.0001112600000000, 0.0000167600000000 ] - [ -0.0007288400000000, 0.0000524600000000, 0.0005655000000000 ] - [ 0.0012305200000000, 0.0003093300000000, 0.0003700300000000 ] - [ 0.0000337500000000, -0.0002087800000000, -0.0001873300000000 ] - [ 0.0021816300000000, -0.0012194500000000, -0.0055428800000000 ] - [ 0.0087764500000000, 0.0022481900000000, -0.0026925000000000 ] - [ 0.0000121500000000, 0.0004308700000000, -0.0001173100000000 ] - [ -0.0001918700000000, -0.0007386600000000, 0.0000629800000000 ] - [ -0.0093108700000000, 0.0023602800000000, -0.0008483800000000 ] - [ 0.0094531500000000, -0.0007360100000000, -0.0002291000000000 ] - [ -0.0002609400000000, 0.0007198700000000, 0.0001277300000000 ]- atom: 18 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001758400000000, -0.0008892200000000, -0.0004321200000000 ] - [ -0.0031656700000000, 0.0020211100000000, -0.0038003800000000 ] - [ 0.0008459400000000, -0.0001500900000000, 0.0006448600000000 ] - [ 0.0007988600000000, 0.0000984700000000, 0.0004346900000000 ] - [ -0.0003051600000000, 0.0000296700000000, 0.0029973600000000 ] - [ 0.0000067800000000, 0.0002752500000000, 0.0001185800000000 ] - [ -0.0585621500000000, 0.0128066500000000, -0.0258794700000000 ] - [ 0.0019831900000000, 0.0006027100000000, -0.0007247600000000 ] - [ 0.0000189200000000, -0.0002526400000000, 0.0000010400000000 ] - [ 0.0023398700000000, -0.0015011300000000, -0.0028099900000000 ] - [ 0.0000127200000000, 0.0006660900000000, 0.0004105700000000 ] - [ -0.0002301600000000, -0.0004539000000000, 0.0001613200000000 ] - [ -0.0022640400000000, -0.0003678400000000, 0.0029409700000000 ] - [ 0.0003628100000000, 0.0002850400000000, -0.0000046300000000 ] - [ -0.0018755700000000, -0.0025780200000000, 0.0007652300000000 ] - [ 0.0025600800000000, -0.0027546700000000, -0.0023919900000000 ] - [ -0.0029348100000000, -0.0030737800000000, -0.0010288900000000 ] - [ 0.0609605400000000, -0.0362859100000000, 0.0352681000000000 ] - [ -0.0086981000000000, 0.0005309300000000, -0.0002881300000000 ] - [ 0.0002364700000000, 0.0003973700000000, -0.0005520700000000 ] - [ -0.0012528700000000, -0.0002050500000000, -0.0004172200000000 ] - [ 0.0001545700000000, 0.0001942100000000, 0.0002092900000000 ] - [ -0.0008910800000000, -0.0007159300000000, 0.0003809800000000 ] - [ 0.0195300000000000, 0.0013086400000000, 0.0046519200000000 ] - [ -0.0000274200000000, -0.0003954300000000, 0.0000260800000000 ] - [ -0.0000419100000000, -0.0040286600000000, -0.0016618000000000 ] - [ 0.0002420500000000, 0.0004573900000000, -0.0001803800000000 ] - [ 0.0002558000000000, -0.0004914500000000, -0.0003440100000000 ] - [ -0.0034183600000000, -0.0055456500000000, 0.0021629600000000 ] - [ 0.0016339400000000, 0.0003677200000000, -0.0009878400000000 ] - [ -0.0001365500000000, 0.0000540900000000, -0.0002452000000000 ] - [ -0.0000070500000000, 0.0000155000000000, -0.0005919200000000 ] - [ 0.0000296400000000, 0.0002680000000000, 0.0010912700000000 ] - [ 0.0015371200000000, 0.0007242000000000, 0.0007407300000000 ] - [ -0.0000651200000000, -0.0002739600000000, -0.0001684800000000 ] - [ -0.0000338000000000, 0.0003525100000000, -0.0000446500000000 ] - [ -0.0000270500000000, 0.0000812200000000, 0.0001224800000000 ] - [ 0.0035448800000000, 0.0093975500000000, -0.0071087800000000 ] - [ -0.0054080100000000, 0.0028903000000000, 0.0025899700000000 ] - [ -0.0000911700000000, -0.0000656200000000, -0.0000111600000000 ] - [ 0.0009300400000000, 0.0001388200000000, -0.0010043200000000 ] - [ -0.0003348700000000, 0.0004969500000000, -0.0003624600000000 ] - [ -0.0003969600000000, -0.0007449600000000, -0.0002803500000000 ] - [ -0.0004272100000000, 0.0002545700000000, 0.0005281700000000 ] - [ -0.0001304100000000, 0.0000749100000000, 0.0000702500000000 ] - [ 0.0032447800000000, -0.0011835300000000, -0.0000494100000000 ] - [ 0.0002650300000000, -0.0004155900000000, -0.0006372200000000 ] - [ -0.0002891400000000, -0.0001393700000000, -0.0003703800000000 ] - [ -0.0010062800000000, 0.0002033900000000, 0.0005605600000000 ] - [ 0.0002909400000000, 0.0006209500000000, 0.0005605200000000 ] - [ 0.0001899100000000, -0.0006494600000000, -0.0004360800000000 ] - [ -0.0001282500000000, 0.0010519800000000, -0.0003396400000000 ] - [ 0.0001458900000000, 0.0002376800000000, -0.0001260100000000 ] - [ -0.0009134200000000, 0.0037077500000000, -0.0029676100000000 ] - [ 0.0015291300000000, 0.0023599500000000, 0.0021976800000000 ] - [ -0.0004605700000000, 0.0003173000000000, -0.0002006000000000 ] - [ -0.0062476200000000, -0.0023094200000000, 0.0029424000000000 ] - [ 0.0001924100000000, 0.0007266900000000, 0.0003427300000000 ] - [ 0.0000413500000000, -0.0005469400000000, 0.0000461300000000 ] - [ 0.0032545500000000, -0.0001158600000000, -0.0015569500000000 ] - [ -0.0018115700000000, -0.0008561100000000, 0.0007323400000000 ] - [ 0.0008177400000000, 0.0009535900000000, 0.0003610300000000 ] - [ 0.0007996400000000, -0.0009719000000000, 0.0002450400000000 ] - [ 0.0048677300000000, 0.0255368200000000, -0.0160978400000000 ] - [ -0.0027351800000000, -0.0007468100000000, -0.0024644500000000 ] - [ 0.0003053000000000, -0.0001301000000000, -0.0004375400000000 ] - [ 0.0002965700000000, 0.0001699300000000, -0.0005239200000000 ] - [ 0.0011950200000000, 0.0004918100000000, -0.0001630700000000 ] - [ -0.0001656500000000, 0.0005279800000000, 0.0003594400000000 ] - [ -0.0000341400000000, 0.0002450600000000, -0.0005091900000000 ] - [ -0.0002965800000000, 0.0000974000000000, 0.0001723400000000 ] - [ 0.0003097800000000, 0.0006629900000000, -0.0005097700000000 ] - [ -0.0010919600000000, -0.0005520900000000, 0.0017042900000000 ] - [ 0.0012830500000000, -0.0004470600000000, 0.0007794700000000 ] - [ -0.0001977300000000, -0.0003939300000000, 0.0001959200000000 ] - [ -0.0003112700000000, 0.0000282500000000, 0.0004194300000000 ] - [ 0.0000019100000000, -0.0003471500000000, 0.0003463000000000 ] - [ -0.0027252200000000, 0.0017063000000000, 0.0053111300000000 ] - [ -0.0084397900000000, -0.0025576000000000, 0.0024092900000000 ] - [ 0.0000281100000000, 0.0001219000000000, 0.0002728100000000 ] - [ -0.0002655700000000, -0.0007102800000000, 0.0003771400000000 ] - [ 0.0098152500000000, -0.0008310100000000, 0.0011739400000000 ] - [ -0.0089919700000000, -0.0006078200000000, 0.0005694700000000 ] - [ -0.0001967500000000, 0.0007283600000000, 0.0003144600000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000181800000000, -0.0024566700000000, -0.0015208800000000 ] - [ -0.0001815300000000, -0.0059624600000000, 0.0023653100000000 ] - [ 0.0007489700000000, 0.0000494500000000, 0.0006802800000000 ] - [ 0.0009015400000000, 0.0002698100000000, 0.0008981300000000 ] - [ -0.0035692400000000, -0.0053634000000000, -0.0016348300000000 ] - [ 0.0000737200000000, 0.0001814800000000, 0.0002652000000000 ] - [ -0.0119997100000000, 0.0881267300000000, -0.0650779000000000 ] - [ 0.0011006200000000, 0.0032844800000000, -0.0017632700000000 ] - [ -0.0000542500000000, -0.0003980500000000, 0.0003416100000000 ] - [ 0.0001235600000000, -0.0020739300000000, -0.0009813000000000 ] - [ 0.0001658600000000, 0.0006586200000000, 0.0008095400000000 ] - [ -0.0000671700000000, -0.0004383400000000, 0.0002101200000000 ] - [ -0.0026313200000000, -0.0044615600000000, 0.0033496300000000 ] - [ 0.0005199000000000, -0.0008390700000000, 0.0011404000000000 ] - [ 0.0029432500000000, 0.0021744200000000, -0.0025838300000000 ] - [ -0.0015254400000000, 0.0019166100000000, 0.0022919700000000 ] - [ -0.0000105800000000, 0.0001636200000000, 0.0008880300000000 ] - [ 0.0356875500000000, -0.1564278100000000, 0.1158117100000000 ] - [ 0.0006602500000000, -0.0034134100000000, 0.0004233700000000 ] - [ 0.0002534000000000, 0.0005705100000000, -0.0008602200000000 ] - [ 0.0006218400000000, 0.0053744500000000, 0.0007922100000000 ] - [ 0.0000016700000000, 0.0005199400000000, -0.0001189600000000 ] - [ -0.0004582700000000, -0.0026813200000000, 0.0011814200000000 ] - [ -0.0009995500000000, -0.0184463100000000, -0.0015589300000000 ] - [ 0.0000954000000000, -0.0000328600000000, -0.0000428500000000 ] - [ 0.0025958100000000, 0.0052359300000000, 0.0010696400000000 ] - [ 0.0002200500000000, 0.0005075800000000, -0.0005366300000000 ] - [ 0.0002751600000000, -0.0005674200000000, -0.0004492100000000 ] - [ 0.0031077300000000, 0.0062101600000000, -0.0006988500000000 ] - [ 0.0032311000000000, 0.0021511100000000, 0.0016618800000000 ] - [ -0.0000921800000000, -0.0001218400000000, -0.0008502100000000 ] - [ -0.0000481000000000, -0.0001381200000000, -0.0004281100000000 ] - [ 0.0000444600000000, 0.0015809100000000, -0.0013601900000000 ] - [ -0.0012442300000000, 0.0100272800000000, -0.0006945500000000 ] - [ -0.0000237300000000, -0.0005057700000000, -0.0002326700000000 ] - [ -0.0000606700000000, 0.0001437200000000, -0.0002960100000000 ] - [ -0.0000366000000000, 0.0001045200000000, -0.0001140500000000 ] - [ -0.0071577800000000, 0.0150715500000000, -0.0159918100000000 ] - [ -0.0015495700000000, -0.0005495100000000, 0.0024872700000000 ] - [ -0.0001381800000000, 0.0000649200000000, -0.0002653800000000 ] - [ 0.0009362600000000, 0.0046846000000000, -0.0004296700000000 ] - [ -0.0004543000000000, 0.0003316600000000, -0.0004006500000000 ] - [ -0.0003488700000000, -0.0008914600000000, -0.0006056500000000 ] - [ -0.0002265300000000, 0.0020438700000000, 0.0001844100000000 ] - [ -0.0004426500000000, -0.0001399500000000, -0.0000304700000000 ] - [ 0.0010040100000000, 0.0013980800000000, -0.0025271000000000 ] - [ 0.0002719100000000, -0.0002923700000000, -0.0008143600000000 ] - [ -0.0002415500000000, -0.0001650200000000, -0.0008705500000000 ] - [ -0.0000812700000000, -0.0004594600000000, -0.0014113200000000 ] - [ 0.0001802800000000, -0.0000093000000000, 0.0035228200000000 ] - [ -0.0006167000000000, -0.0003905000000000, -0.0022409500000000 ] - [ -0.0013138500000000, 0.0003901900000000, 0.0007591400000000 ] - [ 0.0002697900000000, 0.0012641900000000, -0.0002390200000000 ] - [ 0.0002730000000000, -0.0019298800000000, 0.0005931900000000 ] - [ -0.0011296600000000, -0.0032530100000000, -0.0013618500000000 ] - [ -0.0005489700000000, 0.0011734900000000, -0.0005218600000000 ] - [ 0.0036113800000000, 0.0013659400000000, -0.0019324100000000 ] - [ 0.0006035900000000, 0.0009567000000000, 0.0007605500000000 ] - [ -0.0003209000000000, -0.0003819900000000, -0.0007033500000000 ] - [ -0.0006903700000000, 0.0006863000000000, 0.0063706000000000 ] - [ -0.0045530000000000, -0.0014366900000000, 0.0011222100000000 ] - [ 0.0008780400000000, 0.0010307800000000, 0.0000745700000000 ] - [ 0.0007479700000000, -0.0009239800000000, 0.0002191000000000 ] - [ -0.0280904000000000, 0.0391339700000000, -0.0357176100000000 ] - [ 0.0005377900000000, -0.0093274500000000, -0.0053736400000000 ] - [ 0.0003230900000000, 0.0000233100000000, -0.0001068700000000 ] - [ 0.0002956600000000, 0.0003491000000000, -0.0003602400000000 ] - [ 0.0002607500000000, -0.0033121400000000, -0.0014420600000000 ] - [ 0.0000848500000000, -0.0012820500000000, -0.0001900600000000 ] - [ -0.0003639100000000, 0.0011764400000000, 0.0007653300000000 ] - [ -0.0002529500000000, 0.0017005500000000, -0.0002291400000000 ] - [ 0.0000024700000000, -0.0011976000000000, 0.0005076300000000 ] - [ -0.0015888100000000, -0.0034005500000000, 0.0039200300000000 ] - [ 0.0002688600000000, 0.0003754700000000, 0.0005736500000000 ] - [ -0.0003421100000000, -0.0016452600000000, -0.0003679200000000 ] - [ 0.0006912500000000, 0.0007866500000000, 0.0013993600000000 ] - [ 0.0000976800000000, -0.0007387800000000, 0.0007946100000000 ] - [ -0.0008234600000000, 0.0105729500000000, -0.0033684300000000 ] - [ 0.0015964500000000, 0.0093145700000000, -0.0034891300000000 ] - [ -0.0001253200000000, -0.0002684800000000, 0.0006315500000000 ] - [ -0.0002482800000000, -0.0007517400000000, 0.0004375400000000 ] - [ 0.0085240600000000, 0.0028246400000000, 0.0001296200000000 ] - [ 0.0000373900000000, 0.0104715100000000, 0.0023446900000000 ] - [ -0.0001982300000000, 0.0006327200000000, 0.0010166800000000 ]- atom: 18 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004108700000000, 0.0016787200000000, 0.0010833800000000 ] - [ -0.0014511200000000, 0.0062223900000000, -0.0015131700000000 ] - [ 0.0009036600000000, -0.0003298600000000, 0.0001745100000000 ] - [ 0.0007519000000000, 0.0000129200000000, -0.0000422300000000 ] - [ 0.0019043800000000, 0.0050694300000000, 0.0024982200000000 ] - [ -0.0000543000000000, 0.0003332300000000, -0.0003986100000000 ] - [ 0.0126644300000000, -0.0892535100000000, 0.0683994300000000 ] - [ -0.0011048700000000, -0.0027203100000000, 0.0016505000000000 ] - [ 0.0000731700000000, -0.0001166100000000, -0.0004747700000000 ] - [ 0.0002141300000000, 0.0009726600000000, 0.0014188700000000 ] - [ -0.0005089100000000, 0.0004174100000000, -0.0003709800000000 ] - [ -0.0002778500000000, -0.0006370800000000, 0.0002235800000000 ] - [ 0.0029537400000000, 0.0055383100000000, -0.0029097300000000 ] - [ -0.0001248200000000, 0.0016021400000000, -0.0015652900000000 ] - [ -0.0033271900000000, -0.0029396400000000, 0.0021390700000000 ] - [ 0.0011260500000000, -0.0011417100000000, -0.0027099800000000 ] - [ 0.0005712200000000, -0.0002176100000000, -0.0009533400000000 ] - [ -0.0370955600000000, 0.1568798200000000, -0.1206360300000000 ] - [ -0.0011512500000000, 0.0026289900000000, -0.0013897300000000 ] - [ 0.0002352200000000, 0.0001968400000000, -0.0000748200000000 ] - [ -0.0005057400000000, -0.0059934300000000, -0.0008690600000000 ] - [ 0.0001297700000000, 0.0000594100000000, 0.0006214400000000 ] - [ 0.0003248000000000, 0.0020950500000000, -0.0006810600000000 ] - [ 0.0008545100000000, 0.0190369700000000, 0.0016404100000000 ] - [ 0.0000368300000000, -0.0005437400000000, 0.0005454400000000 ] - [ -0.0030500400000000, -0.0060670100000000, -0.0014079700000000 ] - [ 0.0002669900000000, 0.0003500300000000, 0.0002253100000000 ] - [ 0.0002121700000000, -0.0002896900000000, 0.0001381700000000 ] - [ -0.0036379500000000, -0.0053613500000000, 0.0003715500000000 ] - [ -0.0030152100000000, -0.0021837100000000, -0.0023000700000000 ] - [ -0.0000858200000000, 0.0001607700000000, 0.0001980900000000 ] - [ -0.0001299500000000, 0.0000984500000000, -0.0002226100000000 ] - [ 0.0001313500000000, -0.0015255500000000, 0.0007159100000000 ] - [ 0.0013368400000000, -0.0093444800000000, 0.0006021400000000 ] - [ -0.0000826800000000, -0.0001246400000000, 0.0001626900000000 ] - [ -0.0000455000000000, 0.0004860600000000, 0.0002256300000000 ] - [ -0.0000791600000000, 0.0000275000000000, 0.0003956500000000 ] - [ 0.0070920400000000, -0.0149592800000000, 0.0159973600000000 ] - [ 0.0016655800000000, 0.0007072300000000, -0.0022161700000000 ] - [ 0.0000215100000000, -0.0001947500000000, 0.0005453000000000 ] - [ -0.0002453400000000, -0.0058880600000000, -0.0001511800000000 ] - [ -0.0002309200000000, 0.0008854100000000, -0.0001704200000000 ] - [ -0.0003363700000000, -0.0003284000000000, 0.0000324300000000 ] - [ 0.0009174200000000, -0.0008061600000000, -0.0007651900000000 ] - [ -0.0001132500000000, 0.0000623000000000, -0.0000396800000000 ] - [ -0.0004321500000000, -0.0013282300000000, 0.0024383700000000 ] - [ 0.0002168600000000, -0.0004727800000000, -0.0001200500000000 ] - [ -0.0003115800000000, 0.0002466000000000, 0.0007935000000000 ] - [ -0.0007556000000000, -0.0005449900000000, 0.0013192600000000 ] - [ 0.0006543000000000, 0.0009879700000000, -0.0035721600000000 ] - [ 0.0014543100000000, -0.0006002100000000, 0.0021550100000000 ] - [ 0.0004739200000000, 0.0006141600000000, -0.0008432200000000 ] - [ -0.0006102500000000, -0.0016014700000000, 0.0003086600000000 ] - [ 0.0000649600000000, 0.0022562100000000, -0.0005254400000000 ] - [ 0.0014604800000000, 0.0029051300000000, 0.0014265000000000 ] - [ 0.0002131400000000, -0.0008280800000000, 0.0005886400000000 ] - [ -0.0039365100000000, -0.0025490000000000, 0.0024815600000000 ] - [ -0.0002877000000000, 0.0002309200000000, -0.0002062900000000 ] - [ 0.0006327000000000, -0.0008017500000000, 0.0012510300000000 ] - [ 0.0003820200000000, 0.0005477800000000, -0.0058126900000000 ] - [ 0.0028712900000000, -0.0004742800000000, -0.0003765500000000 ] - [ 0.0007574900000000, 0.0008584500000000, 0.0006792200000000 ] - [ 0.0008871100000000, -0.0009638100000000, 0.0005355000000000 ] - [ 0.0269496700000000, -0.0377510000000000, 0.0370990800000000 ] - [ -0.0011540900000000, 0.0096533000000000, 0.0042512100000000 ] - [ 0.0002778800000000, -0.0003392800000000, -0.0010556800000000 ] - [ 0.0003045900000000, -0.0000301200000000, -0.0008032500000000 ] - [ -0.0008568300000000, 0.0029940300000000, 0.0003034700000000 ] - [ 0.0002834700000000, 0.0012264500000000, -0.0001170600000000 ] - [ -0.0000285600000000, -0.0011314700000000, -0.0010571600000000 ] - [ -0.0000987400000000, -0.0017213400000000, -0.0000692900000000 ] - [ 0.0003643700000000, 0.0012424600000000, -0.0008117300000000 ] - [ 0.0006719800000000, 0.0037168400000000, -0.0031691900000000 ] - [ 0.0006525100000000, -0.0007114400000000, 0.0001863200000000 ] - [ -0.0005754500000000, 0.0013043800000000, 0.0011176700000000 ] - [ 0.0002318100000000, -0.0004432400000000, -0.0006352200000000 ] - [ -0.0000598300000000, 0.0001792800000000, -0.0006716800000000 ] - [ 0.0007602500000000, -0.0100156700000000, 0.0035004900000000 ] - [ -0.0014373300000000, -0.0098120400000000, 0.0034415600000000 ] - [ 0.0001619000000000, 0.0008226800000000, -0.0005099100000000 ] - [ -0.0002108900000000, -0.0006952300000000, -0.0000337900000000 ] - [ -0.0080769000000000, -0.0014136400000000, 0.0003122500000000 ] - [ 0.0002217600000000, -0.0109277500000000, -0.0013311700000000 ] - [ -0.0002611600000000, 0.0008146900000000, -0.0006107900000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009777700000000, -0.0018693600000000, -0.0029191100000000 ] - [ 0.0021490000000000, -0.0003324900000000, 0.0058639900000000 ] - [ 0.0007906600000000, -0.0002646500000000, -0.0024325400000000 ] - [ 0.0007994200000000, 0.0002642700000000, -0.0023153900000000 ] - [ -0.0006303100000000, 0.0007828600000000, 0.0059806000000000 ] - [ 0.0000322000000000, 0.0000068000000000, -0.0028854800000000 ] - [ 0.0271182700000000, -0.0734482200000000, 0.1952933500000000 ] - [ 0.0007489700000000, 0.0015409100000000, 0.0070870400000000 ] - [ 0.0000226200000000, -0.0000158200000000, -0.0028910600000000 ] - [ -0.0009920000000000, -0.0025775800000000, 0.0009595300000000 ] - [ -0.0017976200000000, 0.0013482200000000, -0.0024780000000000 ] - [ -0.0007770500000000, -0.0013654000000000, -0.0015616900000000 ] - [ 0.0026625600000000, 0.0038454300000000, -0.0017081200000000 ] - [ -0.0002760400000000, 0.0016426600000000, -0.0021398000000000 ] - [ 0.0035323400000000, -0.0013624300000000, -0.0048217700000000 ] - [ 0.0007041600000000, 0.0010670500000000, -0.0035224000000000 ] - [ 0.0021385200000000, 0.0027734100000000, 0.0017443300000000 ] - [ -0.0362610200000000, 0.1221028500000000, -0.3246935800000000 ] - [ -0.0004026900000000, -0.0012912100000000, -0.0084152200000000 ] - [ 0.0001707200000000, -0.0000063600000000, 0.0023826500000000 ] - [ 0.0008443500000000, -0.0017852200000000, -0.0028402400000000 ] - [ 0.0002106200000000, 0.0006005900000000, 0.0027699400000000 ] - [ 0.0003811900000000, 0.0006688300000000, -0.0037693800000000 ] - [ -0.0032791200000000, 0.0003450200000000, 0.0775742000000000 ] - [ 0.0003185000000000, -0.0005380800000000, 0.0027548300000000 ] - [ 0.0005590700000000, -0.0032832600000000, -0.0070032500000000 ] - [ 0.0002683000000000, -0.0002637000000000, 0.0024157200000000 ] - [ 0.0002371100000000, 0.0003264100000000, 0.0025556900000000 ] - [ -0.0003377000000000, 0.0034948900000000, -0.0074653200000000 ] - [ 0.0019651400000000, 0.0015016100000000, -0.0031365900000000 ] - [ -0.0000532600000000, 0.0001583000000000, 0.0021449700000000 ] - [ 0.0000118500000000, -0.0002283300000000, 0.0022817000000000 ] - [ -0.0014249900000000, -0.0018550300000000, -0.0030615500000000 ] - [ -0.0019403400000000, 0.0028787000000000, -0.0030673600000000 ] - [ -0.0000650000000000, -0.0002697400000000, 0.0017635400000000 ] - [ -0.0000780200000000, 0.0002643800000000, 0.0017789600000000 ] - [ 0.0000107000000000, 0.0006066700000000, 0.0024643200000000 ] - [ 0.0063052200000000, -0.0189096100000000, 0.0074841400000000 ] - [ -0.0010167000000000, 0.0036443300000000, -0.0033377300000000 ] - [ 0.0003844100000000, -0.0009032200000000, 0.0027795500000000 ] - [ 0.0003095100000000, -0.0049107600000000, -0.0008698200000000 ] - [ -0.0005112100000000, 0.0012395300000000, 0.0019036300000000 ] - [ -0.0000338600000000, -0.0008927600000000, 0.0021138100000000 ] - [ 0.0010614200000000, 0.0020537900000000, -0.0015748600000000 ] - [ 0.0008243900000000, 0.0008829100000000, 0.0018327600000000 ] - [ 0.0007554900000000, -0.0019472100000000, 0.0022381000000000 ] - [ 0.0000854600000000, -0.0000392000000000, 0.0023708900000000 ] - [ 0.0001179200000000, -0.0011997200000000, 0.0036134500000000 ] - [ -0.0006750400000000, -0.0016887000000000, 0.0034884400000000 ] - [ -0.0000637300000000, 0.0035587000000000, 0.0021661800000000 ] - [ 0.0018409900000000, -0.0019830000000000, 0.0008815300000000 ] - [ -0.0015976400000000, 0.0021146200000000, 0.0038652700000000 ] - [ -0.0007971700000000, 0.0008066300000000, 0.0017786400000000 ] - [ 0.0000836400000000, -0.0009382600000000, 0.0029995200000000 ] - [ -0.0003962100000000, 0.0006651700000000, 0.0031464300000000 ] - [ 0.0000269200000000, -0.0007180100000000, 0.0013900100000000 ] - [ -0.0061179500000000, -0.0043109900000000, 0.0029754400000000 ] - [ 0.0009544100000000, 0.0011637500000000, 0.0027433500000000 ] - [ 0.0005114400000000, -0.0011857700000000, 0.0025658900000000 ] - [ -0.0006486900000000, 0.0062454000000000, 0.0078453900000000 ] - [ -0.0029508400000000, -0.0013744700000000, -0.0027602800000000 ] - [ 0.0007579500000000, 0.0008030500000000, 0.0021962100000000 ] - [ 0.0007376600000000, -0.0008042600000000, 0.0022181900000000 ] - [ 0.0140997000000000, -0.0284663500000000, 0.0025108700000000 ] - [ 0.0005073200000000, -0.0025468300000000, 0.0073633000000000 ] - [ 0.0001545400000000, -0.0001221400000000, -0.0035733900000000 ] - [ 0.0002842200000000, -0.0000049800000000, -0.0037117800000000 ] - [ -0.0011251000000000, 0.0012640700000000, 0.0049219500000000 ] - [ -0.0003913100000000, -0.0008093800000000, -0.0026283800000000 ] - [ 0.0051056500000000, 0.0009712300000000, -0.0050842600000000 ] - [ -0.0049617400000000, -0.0032951400000000, -0.0051065300000000 ] - [ 0.0002070000000000, 0.0005779400000000, -0.0021529600000000 ] - [ -0.0006132500000000, 0.0040304400000000, -0.0021017400000000 ] - [ 0.0007045000000000, -0.0004551000000000, -0.0028641300000000 ] - [ 0.0000563400000000, -0.0003613800000000, 0.0006839500000000 ] - [ 0.0005057800000000, 0.0005748900000000, -0.0032163100000000 ] - [ 0.0003438200000000, 0.0000416700000000, -0.0044131400000000 ] - [ -0.0025892800000000, -0.0034957800000000, 0.0074378400000000 ] - [ -0.0017333000000000, -0.0015502600000000, 0.0128929700000000 ] - [ -0.0001416200000000, 0.0003069500000000, -0.0040277500000000 ] - [ -0.0003440100000000, -0.0009036100000000, -0.0044772600000000 ] - [ -0.0064813500000000, 0.0006042900000000, 0.0081890000000000 ] - [ 0.0004225000000000, -0.0040955900000000, 0.0227991000000000 ] - [ -0.0003415500000000, 0.0009001400000000, -0.0041830000000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013835000000000, 0.0011017300000000, 0.0025111100000000 ] - [ -0.0038061400000000, 0.0006109900000000, -0.0049853200000000 ] - [ 0.0008612100000000, -0.0000151500000000, 0.0032921800000000 ] - [ 0.0008519000000000, 0.0000147500000000, 0.0031748800000000 ] - [ -0.0010162900000000, -0.0010476500000000, -0.0051088100000000 ] - [ -0.0000135200000000, 0.0005132800000000, 0.0027531200000000 ] - [ -0.0246223000000000, 0.0654228700000000, -0.1842522800000000 ] - [ -0.0007798500000000, -0.0010303100000000, -0.0071930800000000 ] - [ -0.0000033900000000, -0.0005033300000000, 0.0027587100000000 ] - [ 0.0013385300000000, 0.0015212100000000, -0.0005179800000000 ] - [ 0.0014534300000000, -0.0002777100000000, 0.0029206600000000 ] - [ 0.0004377700000000, 0.0002957600000000, 0.0020107000000000 ] - [ -0.0023174900000000, -0.0027568900000000, 0.0021379500000000 ] - [ 0.0006813900000000, -0.0008693800000000, 0.0017297400000000 ] - [ -0.0039603100000000, 0.0005879500000000, 0.0044283300000000 ] - [ -0.0011106000000000, -0.0002928400000000, 0.0031112000000000 ] - [ -0.0015907400000000, -0.0028556200000000, -0.0018168100000000 ] - [ 0.0333173500000000, -0.1144791400000000, 0.3115740700000000 ] - [ -0.0000825500000000, 0.0005220800000000, 0.0075027400000000 ] - [ 0.0003207200000000, 0.0007782100000000, -0.0033244400000000 ] - [ -0.0007442200000000, 0.0011520300000000, 0.0027665500000000 ] - [ -0.0000798700000000, -0.0000228600000000, -0.0022776500000000 ] - [ -0.0005146400000000, -0.0012396400000000, 0.0042418200000000 ] - [ 0.0030667800000000, 0.0001831800000000, -0.0753846900000000 ] - [ -0.0001885900000000, -0.0000409700000000, -0.0022623300000000 ] - [ -0.0010652800000000, 0.0023808400000000, 0.0067028000000000 ] - [ 0.0002208100000000, 0.0011300600000000, -0.0027355400000000 ] - [ 0.0002516500000000, -0.0011919200000000, -0.0028752300000000 ] - [ -0.0001302600000000, -0.0026057400000000, 0.0071614000000000 ] - [ -0.0018063100000000, -0.0015485700000000, 0.0024603200000000 ] - [ -0.0001253600000000, -0.0001135700000000, -0.0027999100000000 ] - [ -0.0001906300000000, 0.0001847000000000, -0.0029372000000000 ] - [ 0.0016041600000000, 0.0018921700000000, 0.0023917400000000 ] - [ 0.0020513000000000, -0.0022614300000000, 0.0029964700000000 ] - [ -0.0000448700000000, -0.0003545000000000, -0.0018375300000000 ] - [ -0.0000316000000000, 0.0003610300000000, -0.0018530200000000 ] - [ -0.0001278800000000, -0.0004720000000000, -0.0021882900000000 ] - [ -0.0063111400000000, 0.0189730300000000, -0.0071656800000000 ] - [ 0.0011346600000000, -0.0035292800000000, 0.0036453600000000 ] - [ -0.0004997300000000, 0.0007667700000000, -0.0025014900000000 ] - [ 0.0003699900000000, 0.0037067200000000, 0.0003068700000000 ] - [ -0.0001686800000000, -0.0000231200000000, -0.0024717900000000 ] - [ -0.0006439200000000, -0.0003202500000000, -0.0026803400000000 ] - [ -0.0003833600000000, -0.0008481500000000, 0.0010151300000000 ] - [ -0.0013703300000000, -0.0009454800000000, -0.0019087000000000 ] - [ -0.0002186400000000, 0.0020263000000000, -0.0023068100000000 ] - [ 0.0004054300000000, -0.0007333300000000, -0.0033126200000000 ] - [ -0.0006700000000000, 0.0012575100000000, -0.0036792100000000 ] - [ -0.0001574600000000, 0.0006895200000000, -0.0035904300000000 ] - [ 0.0008979400000000, -0.0025421400000000, -0.0022944300000000 ] - [ -0.0010077600000000, 0.0009769300000000, -0.0009927400000000 ] - [ 0.0007707700000000, -0.0011189300000000, -0.0039712600000000 ] - [ 0.0004570100000000, -0.0011433100000000, -0.0017309100000000 ] - [ 0.0002613800000000, 0.0012717600000000, -0.0029401100000000 ] - [ 0.0007456900000000, -0.0009967100000000, -0.0030903400000000 ] - [ -0.0003704200000000, 0.0010536800000000, -0.0013422900000000 ] - [ 0.0058542100000000, 0.0031667600000000, -0.0024489600000000 ] - [ -0.0006443700000000, 0.0000217200000000, -0.0021991100000000 ] - [ -0.0002011000000000, -0.0000017600000000, -0.0020196000000000 ] - [ 0.0003222400000000, -0.0051392400000000, -0.0073743000000000 ] - [ 0.0013390600000000, -0.0005241700000000, 0.0035069200000000 ] - [ 0.0008775500000000, 0.0010938600000000, -0.0014453800000000 ] - [ 0.0008985100000000, -0.0010928100000000, -0.0014673500000000 ] - [ -0.0157392800000000, 0.0303601600000000, -0.0019907200000000 ] - [ -0.0011068600000000, 0.0028674300000000, -0.0085634200000000 ] - [ 0.0004456400000000, -0.0001945400000000, 0.0024173800000000 ] - [ 0.0003167900000000, 0.0003200500000000, 0.0025558100000000 ] - [ 0.0005282500000000, -0.0015833400000000, -0.0061114600000000 ] - [ 0.0007635800000000, 0.0007692900000000, 0.0023206400000000 ] - [ -0.0054427100000000, -0.0009193600000000, 0.0047748400000000 ] - [ 0.0045670300000000, 0.0032272300000000, 0.0048000900000000 ] - [ 0.0001612200000000, -0.0005330200000000, 0.0018426500000000 ] - [ -0.0003169700000000, -0.0036713100000000, 0.0028955800000000 ] - [ 0.0002160500000000, 0.0001174000000000, 0.0036381100000000 ] - [ -0.0009763800000000, 0.0000233100000000, 0.0001083400000000 ] - [ 0.0004171200000000, -0.0002389200000000, 0.0039903600000000 ] - [ -0.0003056800000000, -0.0005902500000000, 0.0045602100000000 ] - [ 0.0022145200000000, 0.0039892500000000, -0.0076339600000000 ] - [ 0.0022005800000000, 0.0012512900000000, -0.0132013800000000 ] - [ 0.0001782300000000, 0.0002461500000000, 0.0041764500000000 ] - [ -0.0001168400000000, -0.0005381000000000, 0.0048944100000000 ] - [ 0.0069714100000000, 0.0008237400000000, -0.0077655800000000 ] - [ -0.0000316200000000, 0.0030121100000000, -0.0221235500000000 ] - [ -0.0001194200000000, 0.0005419800000000, 0.0045984100000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006173700000000, 0.0005689800000000, 0.0005025400000000 ] - [ -0.0081388800000000, 0.0023855100000000, 0.0014984000000000 ] - [ 0.0008157600000000, -0.0001225700000000, 0.0004061300000000 ] - [ 0.0008556100000000, 0.0001885700000000, 0.0004075500000000 ] - [ 0.1001148400000000, 0.0830762500000000, -0.0040962100000000 ] - [ 0.0000232000000000, 0.0002123900000000, -0.0000724100000000 ] - [ -0.0011508500000000, -0.0000239600000000, -0.0000747200000000 ] - [ 0.0039395000000000, 0.0018282300000000, 0.0003170800000000 ] - [ 0.0000155900000000, -0.0002517200000000, -0.0000808500000000 ] - [ 0.0003370700000000, -0.0007125500000000, 0.0008391200000000 ] - [ -0.0000513500000000, 0.0002108100000000, 0.0002319500000000 ] - [ -0.0005775100000000, -0.0004938200000000, -0.0000274200000000 ] - [ -0.0009171700000000, 0.0014771600000000, -0.0002228100000000 ] - [ 0.0003847100000000, 0.0007338200000000, -0.0009676200000000 ] - [ -0.0000604500000000, -0.0009555500000000, -0.0002849400000000 ] - [ -0.0006199100000000, 0.0004069900000000, 0.0001044800000000 ] - [ 0.0002225600000000, 0.0000125600000000, -0.0003545900000000 ] - [ 0.0010582500000000, 0.0009543900000000, 0.0003246800000000 ] - [ -0.0017178600000000, 0.0008985500000000, -0.0024639000000000 ] - [ 0.0002564600000000, 0.0003583500000000, -0.0004602000000000 ] - [ -0.1328460900000000, -0.1390248900000000, 0.0102423100000000 ] - [ 0.0000753300000000, 0.0002847300000000, 0.0002599400000000 ] - [ -0.0015412700000000, 0.0018440200000000, 0.0022586600000000 ] - [ 0.0012182500000000, 0.0008498800000000, -0.0004214900000000 ] - [ 0.0000487900000000, -0.0002824000000000, 0.0002234200000000 ] - [ 0.0050892600000000, 0.0295508900000000, 0.0165997800000000 ] - [ 0.0001938000000000, 0.0003956700000000, -0.0001257100000000 ] - [ 0.0002817500000000, -0.0004100500000000, -0.0001373400000000 ] - [ 0.0053932100000000, 0.0036173600000000, -0.0019193100000000 ] - [ 0.0079016200000000, 0.0306992000000000, -0.0199983900000000 ] - [ -0.0001475300000000, -0.0000181100000000, -0.0003158000000000 ] - [ -0.0000480700000000, -0.0000095200000000, -0.0003116800000000 ] - [ 0.0070638500000000, 0.0032895800000000, 0.0011758400000000 ] - [ 0.0067252500000000, -0.0022649400000000, -0.0000604200000000 ] - [ -0.0000364700000000, -0.0003299600000000, -0.0000296400000000 ] - [ -0.0000853900000000, 0.0002869300000000, -0.0000214500000000 ] - [ 0.0000237300000000, 0.0001359500000000, 0.0002091400000000 ] - [ 0.0019008300000000, -0.0002826900000000, 0.0009265600000000 ] - [ -0.0011243600000000, 0.0005584100000000, -0.0007854000000000 ] - [ -0.0001302300000000, 0.0001263800000000, 0.0001347900000000 ] - [ 0.0029254700000000, -0.0005145800000000, -0.0005609600000000 ] - [ -0.0001899500000000, 0.0006407900000000, -0.0001468800000000 ] - [ -0.0002784200000000, -0.0002367200000000, -0.0007291500000000 ] - [ -0.0015125100000000, 0.0007129000000000, -0.0006802100000000 ] - [ -0.0012473900000000, -0.0007981300000000, 0.0007734900000000 ] - [ 0.0007855100000000, -0.0003059500000000, 0.0004302900000000 ] - [ 0.0002243100000000, -0.0003955800000000, -0.0004470400000000 ] - [ 0.0001076000000000, -0.0001309300000000, -0.0003906800000000 ] - [ -0.0003128400000000, -0.0004125600000000, -0.0001777700000000 ] - [ 0.0023260200000000, 0.0002104500000000, -0.0011116700000000 ] - [ -0.0007449800000000, -0.0004410500000000, 0.0011360800000000 ] - [ -0.0005198300000000, 0.0008591700000000, 0.0000703400000000 ] - [ 0.0015168800000000, -0.0003995900000000, 0.0003268300000000 ] - [ 0.0003524000000000, 0.0002394900000000, -0.0002539600000000 ] - [ 0.0003399300000000, 0.0004162900000000, 0.0010300900000000 ] - [ -0.0014524800000000, -0.0001805700000000, 0.0001303700000000 ] - [ -0.0015098100000000, -0.0018528900000000, -0.0004909600000000 ] - [ 0.0003964800000000, 0.0002809600000000, -0.0001406400000000 ] - [ 0.0001309300000000, -0.0006924800000000, 0.0006132900000000 ] - [ 0.0004268200000000, 0.0001550900000000, 0.0007672400000000 ] - [ 0.0039606800000000, -0.0097940400000000, 0.0006644800000000 ] - [ 0.0008475100000000, 0.0009219400000000, 0.0003868800000000 ] - [ 0.0007864400000000, -0.0009246600000000, 0.0003875700000000 ] - [ 0.0024174000000000, -0.0065849000000000, 0.0001605500000000 ] - [ -0.0037997700000000, 0.0033532100000000, -0.0056346800000000 ] - [ 0.0004215300000000, -0.0001908600000000, -0.0006637900000000 ] - [ 0.0001748700000000, 0.0001528700000000, -0.0004556900000000 ] - [ 0.0038260700000000, 0.0007041900000000, 0.0008076200000000 ] - [ -0.0000638400000000, -0.0000878300000000, 0.0000519900000000 ] - [ -0.0008870000000000, -0.0009820200000000, -0.0011143000000000 ] - [ 0.0005363500000000, -0.0022413400000000, 0.0021171000000000 ] - [ 0.0004939500000000, 0.0001351900000000, -0.0001610600000000 ] - [ -0.0048076300000000, 0.0033652400000000, 0.0052074300000000 ] - [ 0.0006663500000000, -0.0001905300000000, 0.0004555100000000 ] - [ 0.0029039800000000, 0.0022235900000000, -0.0035832900000000 ] - [ 0.0002626100000000, 0.0002129200000000, 0.0001975300000000 ] - [ -0.0002792900000000, -0.0002872600000000, -0.0002082100000000 ] - [ -0.0012103300000000, -0.0013007500000000, 0.0016357000000000 ] - [ 0.0010793100000000, -0.0038191400000000, -0.0039970000000000 ] - [ 0.0004248100000000, 0.0004012000000000, 0.0001319500000000 ] - [ -0.0002382200000000, -0.0007542500000000, 0.0001391400000000 ] - [ 0.0085603300000000, 0.0003263500000000, -0.0001019100000000 ] - [ -0.0117334700000000, -0.0023111200000000, -0.0002270600000000 ] - [ -0.0002352400000000, 0.0007491000000000, 0.0002253700000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010093700000000, -0.0013229300000000, -0.0009191000000000 ] - [ 0.0064467300000000, -0.0021447000000000, -0.0006306800000000 ] - [ 0.0008369500000000, -0.0001610400000000, 0.0004636000000000 ] - [ 0.0007970600000000, 0.0000953500000000, 0.0004626900000000 ] - [ -0.1030376200000000, -0.0877703700000000, 0.0051468600000000 ] - [ -0.0000068800000000, 0.0003054300000000, -0.0000409600000000 ] - [ 0.0011308800000000, -0.0004882600000000, -0.0000394500000000 ] - [ -0.0039463300000000, -0.0013160900000000, -0.0004331500000000 ] - [ 0.0000010900000000, -0.0002655900000000, -0.0000329100000000 ] - [ 0.0000224200000000, -0.0003710400000000, -0.0004175400000000 ] - [ -0.0003034200000000, 0.0008791500000000, 0.0001912700000000 ] - [ 0.0002250000000000, -0.0005967000000000, 0.0004516200000000 ] - [ 0.0012608200000000, -0.0003749400000000, 0.0006443600000000 ] - [ 0.0000195900000000, 0.0000312500000000, 0.0005532100000000 ] - [ -0.0003415200000000, 0.0001928800000000, -0.0001320300000000 ] - [ 0.0002209700000000, 0.0003549700000000, -0.0005228000000000 ] - [ 0.0003032600000000, -0.0000947600000000, 0.0002956700000000 ] - [ -0.0015487600000000, -0.0001756700000000, -0.0012764400000000 ] - [ 0.0012226200000000, -0.0016793900000000, 0.0015157400000000 ] - [ 0.0002358400000000, 0.0004142300000000, -0.0004923300000000 ] - [ 0.1337116900000000, 0.1431550600000000, -0.0104600500000000 ] - [ 0.0000483500000000, 0.0002804400000000, 0.0002157100000000 ] - [ 0.0014177500000000, -0.0024156800000000, -0.0017796200000000 ] - [ -0.0013408600000000, -0.0002794100000000, 0.0008977000000000 ] - [ 0.0000739200000000, -0.0002827300000000, 0.0002520000000000 ] - [ -0.0053914900000000, -0.0305518000000000, -0.0169950100000000 ] - [ 0.0002947100000000, 0.0004665300000000, -0.0002014000000000 ] - [ 0.0002070000000000, -0.0004513800000000, -0.0001894500000000 ] - [ -0.0058468000000000, -0.0027002000000000, 0.0015643600000000 ] - [ -0.0075142000000000, -0.0309128300000000, 0.0194622500000000 ] - [ -0.0000365800000000, 0.0000492200000000, -0.0003483500000000 ] - [ -0.0001357100000000, -0.0000213500000000, -0.0003521200000000 ] - [ -0.0068344600000000, -0.0031982800000000, -0.0017985400000000 ] - [ -0.0065917600000000, 0.0028778200000000, -0.0000094100000000 ] - [ -0.0000760800000000, -0.0002965200000000, -0.0000437300000000 ] - [ -0.0000268100000000, 0.0003399400000000, -0.0000520400000000 ] - [ -0.0001317500000000, 0.0000070700000000, 0.0000770900000000 ] - [ -0.0017836300000000, 0.0001391900000000, -0.0006323500000000 ] - [ 0.0012299600000000, -0.0004212500000000, 0.0010774300000000 ] - [ 0.0000236400000000, -0.0002695900000000, 0.0001512000000000 ] - [ -0.0022311000000000, -0.0007288800000000, -0.0000104400000000 ] - [ -0.0005024200000000, 0.0005940700000000, -0.0004202700000000 ] - [ -0.0004126500000000, -0.0009966400000000, 0.0001614100000000 ] - [ 0.0022034900000000, 0.0005171400000000, 0.0001326200000000 ] - [ 0.0007090000000000, 0.0007144000000000, -0.0008287200000000 ] - [ -0.0002499600000000, 0.0003848700000000, -0.0004881700000000 ] - [ 0.0002673800000000, -0.0003772500000000, -0.0005057200000000 ] - [ -0.0006398700000000, 0.0002140000000000, 0.0003366100000000 ] - [ -0.0005206900000000, -0.0005950600000000, 0.0000845200000000 ] - [ -0.0014852900000000, 0.0007976500000000, 0.0010128200000000 ] - [ 0.0015754600000000, -0.0005752600000000, -0.0012370600000000 ] - [ -0.0003118100000000, 0.0001486600000000, -0.0001628900000000 ] - [ -0.0018470100000000, 0.0000377200000000, -0.0002689700000000 ] - [ -0.0000213300000000, 0.0001174300000000, 0.0003074800000000 ] - [ -0.0000070100000000, -0.0007706100000000, -0.0009756500000000 ] - [ 0.0011206700000000, 0.0005342900000000, -0.0000884400000000 ] - [ 0.0011913700000000, 0.0006608800000000, 0.0010349000000000 ] - [ -0.0000852300000000, 0.0009017000000000, 0.0006876700000000 ] - [ 0.0001733100000000, -0.0004918200000000, -0.0000667600000000 ] - [ -0.0007365800000000, 0.0010356700000000, -0.0002267500000000 ] - [ -0.0055974000000000, 0.0078242400000000, 0.0000931700000000 ] - [ 0.0007977600000000, 0.0009850400000000, 0.0003656700000000 ] - [ 0.0008594100000000, -0.0009826800000000, 0.0003654900000000 ] - [ -0.0040592000000000, 0.0085532200000000, 0.0005956700000000 ] - [ 0.0031203600000000, -0.0030273700000000, 0.0044522600000000 ] - [ 0.0001779800000000, -0.0001231700000000, -0.0004953300000000 ] - [ 0.0004239500000000, 0.0001612100000000, -0.0007034100000000 ] - [ -0.0042836000000000, -0.0011011000000000, -0.0021419800000000 ] - [ 0.0004335500000000, 0.0000404900000000, -0.0003545800000000 ] - [ 0.0005221800000000, 0.0010219600000000, 0.0008041000000000 ] - [ -0.0009046700000000, 0.0021848200000000, -0.0024147800000000 ] - [ -0.0001250600000000, -0.0000892500000000, -0.0001461400000000 ] - [ 0.0038417900000000, -0.0030216000000000, -0.0044497400000000 ] - [ 0.0002550000000000, -0.0001465700000000, 0.0003139900000000 ] - [ -0.0037274900000000, -0.0026052600000000, 0.0044516900000000 ] - [ 0.0006581100000000, 0.0001248600000000, 0.0005722200000000 ] - [ 0.0003193200000000, -0.0002658100000000, 0.0003401600000000 ] - [ 0.0011785000000000, 0.0018405100000000, -0.0014957000000000 ] - [ -0.0011159300000000, 0.0032473000000000, 0.0041128200000000 ] - [ -0.0003850800000000, 0.0001497000000000, 0.0000056000000000 ] - [ -0.0002197300000000, -0.0006951200000000, 0.0002790600000000 ] - [ -0.0081350700000000, 0.0012001000000000, 0.0005143800000000 ] - [ 0.0121531800000000, 0.0008754300000000, 0.0006412900000000 ] - [ -0.0002225500000000, 0.0007000700000000, 0.0001925700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002632100000000, 0.0015089300000000, 0.0019927800000000 ] - [ -0.0059449700000000, 0.0065843700000000, 0.0012877800000000 ] - [ 0.0008686700000000, -0.0002682000000000, 0.0004003300000000 ] - [ 0.0007962800000000, 0.0000327800000000, 0.0003862100000000 ] - [ 0.0802272800000000, 0.1784769100000000, -0.0067124500000000 ] - [ -0.0000319200000000, 0.0003019300000000, -0.0000734300000000 ] - [ 0.0032293400000000, -0.0098295800000000, 0.0002829400000000 ] - [ -0.0036867300000000, -0.0116596800000000, 0.0014344600000000 ] - [ 0.0000646000000000, -0.0001685600000000, -0.0000882900000000 ] - [ -0.0008187700000000, 0.0011724800000000, 0.0030487800000000 ] - [ -0.0004517900000000, 0.0001243200000000, -0.0005187900000000 ] - [ 0.0002606100000000, -0.0010639500000000, 0.0008349700000000 ] - [ -0.0007350700000000, 0.0020055900000000, -0.0016010900000000 ] - [ -0.0007332200000000, 0.0036076600000000, -0.0038079200000000 ] - [ -0.0007763600000000, -0.0012703800000000, 0.0007029900000000 ] - [ 0.0004661100000000, -0.0001697400000000, -0.0011112000000000 ] - [ 0.0011269500000000, -0.0002701200000000, -0.0013786200000000 ] - [ -0.0003469100000000, 0.0060799100000000, -0.0019564900000000 ] - [ 0.0001939100000000, 0.0093401100000000, -0.0030803100000000 ] - [ 0.0002862900000000, 0.0001993300000000, -0.0004395700000000 ] - [ -0.1367216500000000, -0.2934775100000000, 0.0067395800000000 ] - [ 0.0000573900000000, 0.0001332500000000, 0.0002751600000000 ] - [ 0.0008515000000000, 0.0121688900000000, 0.0026033300000000 ] - [ -0.0007627600000000, 0.0061459200000000, 0.0013721100000000 ] - [ 0.0000610900000000, -0.0004216500000000, 0.0002270300000000 ] - [ 0.0293937000000000, 0.0345654000000000, 0.0261914200000000 ] - [ 0.0002434200000000, 0.0004374200000000, -0.0001765100000000 ] - [ 0.0002480800000000, -0.0003713900000000, -0.0000680500000000 ] - [ 0.0062630100000000, 0.0006834100000000, -0.0028864700000000 ] - [ 0.0311654800000000, 0.0276379500000000, -0.0273314800000000 ] - [ -0.0001103400000000, 0.0000551200000000, -0.0002389500000000 ] - [ -0.0000820500000000, 0.0000758700000000, -0.0003568400000000 ] - [ 0.0075076300000000, -0.0008982800000000, 0.0019052500000000 ] - [ 0.0026339500000000, -0.0068915500000000, -0.0001041600000000 ] - [ -0.0000390300000000, -0.0001805900000000, -0.0000146000000000 ] - [ -0.0000817900000000, 0.0004431100000000, 0.0000109100000000 ] - [ -0.0001494900000000, -0.0000274600000000, -0.0001345100000000 ] - [ 0.0018862000000000, 0.0011708900000000, 0.0024665900000000 ] - [ -0.0002800300000000, 0.0023667200000000, -0.0048436600000000 ] - [ -0.0000021600000000, -0.0001307100000000, 0.0004510100000000 ] - [ -0.0006067600000000, -0.0028608800000000, 0.0000337900000000 ] - [ -0.0003914000000000, 0.0013858900000000, -0.0002220300000000 ] - [ -0.0003186800000000, 0.0001961400000000, -0.0004000500000000 ] - [ 0.0006255500000000, -0.0019605400000000, -0.0021478000000000 ] - [ -0.0006773000000000, 0.0002832700000000, -0.0010253100000000 ] - [ 0.0004274100000000, -0.0000490500000000, 0.0013110700000000 ] - [ 0.0002062800000000, -0.0005610200000000, -0.0004336200000000 ] - [ -0.0000590400000000, 0.0001210800000000, 0.0008332600000000 ] - [ -0.0005172600000000, -0.0005331000000000, 0.0003529300000000 ] - [ 0.0021138700000000, 0.0009992700000000, -0.0029082100000000 ] - [ 0.0001877300000000, 0.0002608000000000, 0.0062153200000000 ] - [ -0.0003789200000000, 0.0007410600000000, -0.0003256500000000 ] - [ -0.0007053800000000, -0.0022507000000000, -0.0003867100000000 ] - [ -0.0000027200000000, 0.0012024500000000, -0.0001881400000000 ] - [ 0.0005350400000000, 0.0012111800000000, 0.0009373700000000 ] - [ -0.0002269400000000, -0.0028708400000000, 0.0009532900000000 ] - [ -0.0010375900000000, -0.0000735200000000, 0.0015171800000000 ] - [ -0.0000709000000000, 0.0002895000000000, -0.0010135800000000 ] - [ 0.0010861600000000, -0.0012716800000000, 0.0019344900000000 ] - [ 0.0002356800000000, 0.0011055400000000, -0.0008399800000000 ] - [ -0.0034766900000000, 0.0099311000000000, -0.0002618000000000 ] - [ 0.0008009000000000, 0.0008982600000000, 0.0004190100000000 ] - [ 0.0008486300000000, -0.0009884100000000, 0.0003979600000000 ] - [ -0.0138858200000000, 0.0135429300000000, 0.0006577500000000 ] - [ 0.0025871000000000, 0.0064711600000000, 0.0039313000000000 ] - [ 0.0003492100000000, -0.0005147300000000, -0.0009714900000000 ] - [ 0.0002454100000000, -0.0001728000000000, -0.0003496700000000 ] - [ 0.0011602900000000, 0.0080736100000000, -0.0000661700000000 ] - [ -0.0000715700000000, 0.0006588500000000, -0.0000004000000000 ] - [ -0.0014206500000000, -0.0022414600000000, -0.0017563700000000 ] - [ 0.0008434100000000, -0.0052220800000000, 0.0021045500000000 ] - [ 0.0004713500000000, 0.0008887100000000, -0.0003967500000000 ] - [ 0.0018101900000000, 0.0060141000000000, -0.0037367200000000 ] - [ 0.0006065800000000, -0.0005639000000000, 0.0006752700000000 ] - [ 0.0022956100000000, 0.0067881300000000, 0.0017645700000000 ] - [ 0.0003249800000000, -0.0001437000000000, -0.0000049400000000 ] - [ -0.0003695500000000, 0.0007990200000000, -0.0001861900000000 ] - [ -0.0017698200000000, -0.0037746200000000, 0.0024488200000000 ] - [ 0.0013287300000000, -0.0097403500000000, -0.0049509300000000 ] - [ 0.0003942000000000, 0.0014787500000000, 0.0003615100000000 ] - [ -0.0002014000000000, -0.0007012700000000, 0.0001682200000000 ] - [ 0.0009193700000000, 0.0091228100000000, -0.0005687600000000 ] - [ -0.0097619900000000, -0.0049901200000000, 0.0003119500000000 ] - [ -0.0002665400000000, 0.0008022300000000, 0.0001214200000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006651100000000, -0.0022822200000000, -0.0024188500000000 ] - [ 0.0042829800000000, -0.0062134200000000, -0.0004122100000000 ] - [ 0.0007839000000000, -0.0000151800000000, 0.0004682700000000 ] - [ 0.0008559000000000, 0.0002505200000000, 0.0004831600000000 ] - [ -0.0902115500000000, -0.1899870000000000, 0.0082149500000000 ] - [ 0.0000484300000000, 0.0002165000000000, -0.0000415800000000 ] - [ -0.0032499100000000, 0.0092863200000000, -0.0003944700000000 ] - [ 0.0036243400000000, 0.0121048100000000, -0.0015412700000000 ] - [ -0.0000475400000000, -0.0003490400000000, -0.0000269500000000 ] - [ 0.0011790600000000, -0.0021938100000000, -0.0026062800000000 ] - [ 0.0001031100000000, 0.0009707600000000, 0.0009402800000000 ] - [ -0.0006052500000000, -0.0000335300000000, -0.0004074300000000 ] - [ 0.0010968500000000, -0.0009350100000000, 0.0020332700000000 ] - [ 0.0011311000000000, -0.0027964700000000, 0.0033703600000000 ] - [ 0.0003831700000000, 0.0005150000000000, -0.0011213500000000 ] - [ -0.0008585800000000, 0.0009260500000000, 0.0006894200000000 ] - [ -0.0005999800000000, 0.0001717300000000, 0.0013116100000000 ] - [ -0.0001449400000000, -0.0052953400000000, 0.0009932200000000 ] - [ -0.0006667500000000, -0.0100268600000000, 0.0020719900000000 ] - [ 0.0002067900000000, 0.0005733700000000, -0.0005119900000000 ] - [ 0.1456047200000000, 0.3025229200000000, -0.0075234000000000 ] - [ 0.0000667200000000, 0.0004316800000000, 0.0002017700000000 ] - [ -0.0009585400000000, -0.0126084200000000, -0.0020699100000000 ] - [ 0.0006415200000000, -0.0055649900000000, -0.0008878700000000 ] - [ 0.0000618000000000, -0.0001433800000000, 0.0002498200000000 ] - [ -0.0303547800000000, -0.0356455600000000, -0.0268645200000000 ] - [ 0.0002453300000000, 0.0004259000000000, -0.0001505900000000 ] - [ 0.0002407300000000, -0.0004906300000000, -0.0002580100000000 ] - [ -0.0066827900000000, 0.0001436300000000, 0.0025274600000000 ] - [ -0.0313804200000000, -0.0277023100000000, 0.0269701600000000 ] - [ -0.0000736500000000, -0.0000227000000000, -0.0004240400000000 ] - [ -0.0001018600000000, -0.0001076800000000, -0.0003056400000000 ] - [ -0.0072522900000000, 0.0008791800000000, -0.0025388100000000 ] - [ -0.0025086400000000, 0.0074909600000000, 0.0000258000000000 ] - [ -0.0000727600000000, -0.0004463100000000, -0.0000581900000000 ] - [ -0.0000294900000000, 0.0001845700000000, -0.0000838500000000 ] - [ 0.0000416200000000, 0.0001728400000000, 0.0004213400000000 ] - [ -0.0017985000000000, -0.0013025900000000, -0.0021910700000000 ] - [ 0.0003815900000000, -0.0022403000000000, 0.0050762300000000 ] - [ -0.0001035200000000, -0.0000158600000000, -0.0001627500000000 ] - [ 0.0012865700000000, 0.0016337600000000, -0.0005935900000000 ] - [ -0.0003044500000000, -0.0001436400000000, -0.0003418800000000 ] - [ -0.0003767100000000, -0.0014340300000000, -0.0001631200000000 ] - [ 0.0000655600000000, 0.0031560500000000, 0.0016335500000000 ] - [ 0.0001492700000000, -0.0003499600000000, 0.0009576400000000 ] - [ 0.0001016300000000, 0.0001390400000000, -0.0013755700000000 ] - [ 0.0002858400000000, -0.0002125900000000, -0.0005181000000000 ] - [ -0.0004711000000000, -0.0000479600000000, -0.0008927800000000 ] - [ -0.0003161900000000, -0.0004710000000000, -0.0004443200000000 ] - [ -0.0012946300000000, 0.0000183400000000, 0.0028278600000000 ] - [ 0.0006372100000000, -0.0012909300000000, -0.0062465200000000 ] - [ -0.0004523600000000, 0.0002625500000000, 0.0002350100000000 ] - [ 0.0003645200000000, 0.0018956800000000, 0.0004358100000000 ] - [ 0.0003294800000000, -0.0008400000000000, 0.0002381400000000 ] - [ -0.0002099800000000, -0.0015725600000000, -0.0008900100000000 ] - [ -0.0001024400000000, 0.0032012300000000, -0.0009263900000000 ] - [ 0.0007376100000000, -0.0010893700000000, -0.0009661900000000 ] - [ 0.0003807200000000, 0.0008986500000000, 0.0015640300000000 ] - [ -0.0007748300000000, 0.0000775400000000, -0.0013768400000000 ] - [ -0.0005400100000000, 0.0000635800000000, 0.0013910000000000 ] - [ 0.0018923100000000, -0.0118022300000000, 0.0010142300000000 ] - [ 0.0008457300000000, 0.0010094100000000, 0.0003338500000000 ] - [ 0.0007988100000000, -0.0009197600000000, 0.0003556600000000 ] - [ 0.0120551800000000, -0.0115687200000000, 0.0000987400000000 ] - [ -0.0032624700000000, -0.0060932900000000, -0.0051466000000000 ] - [ 0.0002502400000000, 0.0001998400000000, -0.0001923100000000 ] - [ 0.0003539000000000, 0.0004862900000000, -0.0008124600000000 ] - [ -0.0016595200000000, -0.0084412000000000, -0.0012144200000000 ] - [ 0.0004411100000000, -0.0007034600000000, -0.0003088800000000 ] - [ 0.0010400600000000, 0.0022874300000000, 0.0014250200000000 ] - [ -0.0012045600000000, 0.0051613300000000, -0.0024278100000000 ] - [ -0.0001050000000000, -0.0008466400000000, 0.0000823500000000 ] - [ -0.0027915000000000, -0.0056247200000000, 0.0045541600000000 ] - [ 0.0003142600000000, 0.0002268200000000, 0.0000959100000000 ] - [ -0.0031442200000000, -0.0071808600000000, -0.0008837600000000 ] - [ 0.0005965600000000, 0.0004813200000000, 0.0007760400000000 ] - [ 0.0004078500000000, -0.0013477300000000, 0.0003209300000000 ] - [ 0.0017154400000000, 0.0043294000000000, -0.0022757600000000 ] - [ -0.0013572000000000, 0.0091791300000000, 0.0051231200000000 ] - [ -0.0003569600000000, -0.0009279900000000, -0.0002208000000000 ] - [ -0.0002564800000000, -0.0007477800000000, 0.0002478000000000 ] - [ -0.0000632900000000, -0.0060504400000000, 0.0010640100000000 ] - [ 0.0102420400000000, 0.0035045700000000, 0.0001004600000000 ] - [ -0.0001910500000000, 0.0006467300000000, 0.0002947000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000921400000000, 0.0004333000000000, -0.0011582100000000 ] - [ -0.0010763900000000, 0.0002153500000000, 0.0066350300000000 ] - [ 0.0008063700000000, -0.0002076900000000, -0.0011713100000000 ] - [ 0.0008208800000000, 0.0002402200000000, -0.0012896800000000 ] - [ -0.0053615800000000, -0.0071800900000000, 0.0555408500000000 ] - [ -0.0000087300000000, 0.0001725000000000, -0.0019095600000000 ] - [ -0.0000035900000000, -0.0005094900000000, 0.0025910600000000 ] - [ 0.0002031600000000, 0.0006445000000000, 0.0029323000000000 ] - [ -0.0000096000000000, -0.0001786000000000, -0.0018964700000000 ] - [ 0.0023269700000000, 0.0038573100000000, -0.0007899900000000 ] - [ -0.0004892600000000, 0.0006718700000000, -0.0006116400000000 ] - [ -0.0013048400000000, -0.0002765200000000, -0.0012376600000000 ] - [ 0.0004807500000000, -0.0012296400000000, -0.0003125300000000 ] - [ -0.0014405400000000, -0.0017135100000000, -0.0019598700000000 ] - [ 0.0001221200000000, -0.0007665900000000, -0.0012753400000000 ] - [ 0.0009247300000000, 0.0003384900000000, -0.0019301100000000 ] - [ -0.0011376900000000, -0.0013715300000000, 0.0010793600000000 ] - [ 0.0001462400000000, 0.0012182500000000, -0.0032695700000000 ] - [ -0.0010153800000000, 0.0002662600000000, -0.0034972800000000 ] - [ 0.0001185900000000, 0.0001878100000000, 0.0013309800000000 ] - [ 0.0100154900000000, 0.0065746500000000, -0.0777571300000000 ] - [ 0.0002581200000000, 0.0004526300000000, 0.0019162300000000 ] - [ 0.0007126600000000, -0.0009982500000000, -0.0021392500000000 ] - [ -0.0001430400000000, -0.0003949900000000, -0.0020958000000000 ] - [ 0.0001368200000000, -0.0004781300000000, 0.0019371100000000 ] - [ 0.0188850200000000, 0.0304264500000000, 0.0002317700000000 ] - [ 0.0002519800000000, -0.0001719700000000, 0.0015156600000000 ] - [ 0.0002553500000000, 0.0000455200000000, 0.0013519600000000 ] - [ -0.0017962000000000, -0.0003313100000000, -0.0039345400000000 ] - [ -0.0237148400000000, -0.0332855000000000, 0.0037487100000000 ] - [ -0.0000599000000000, 0.0002740000000000, 0.0012399600000000 ] - [ -0.0000501800000000, -0.0002202600000000, 0.0011201200000000 ] - [ 0.0027612300000000, 0.0013545100000000, -0.0037914700000000 ] - [ 0.0000423900000000, 0.0003673500000000, -0.0035468100000000 ] - [ -0.0000621800000000, -0.0002908900000000, 0.0009469600000000 ] - [ -0.0000707800000000, 0.0002652000000000, 0.0009810800000000 ] - [ 0.0001415000000000, 0.0002079200000000, 0.0016225700000000 ] - [ 0.0001810000000000, 0.0012811300000000, -0.0008465200000000 ] - [ -0.0005614500000000, -0.0023228200000000, -0.0004936900000000 ] - [ -0.0001981700000000, -0.0000627900000000, 0.0014815800000000 ] - [ -0.0012059200000000, -0.0002677000000000, 0.0011294900000000 ] - [ 0.0000357600000000, 0.0002256400000000, 0.0004358000000000 ] - [ -0.0004194000000000, -0.0006797000000000, 0.0006663800000000 ] - [ 0.0003175300000000, -0.0019919200000000, 0.0057211300000000 ] - [ -0.0001359600000000, -0.0010039800000000, 0.0020558400000000 ] - [ 0.0003596100000000, 0.0007437100000000, 0.0010303300000000 ] - [ 0.0002425800000000, -0.0001248700000000, 0.0013464600000000 ] - [ -0.0002543800000000, 0.0004642600000000, 0.0009568900000000 ] - [ -0.0005855400000000, -0.0006907300000000, 0.0017416200000000 ] - [ 0.0002929400000000, -0.0005293200000000, -0.0005648800000000 ] - [ 0.0010277900000000, 0.0019435000000000, 0.0004329800000000 ] - [ -0.0002461100000000, 0.0006702100000000, 0.0016766200000000 ] - [ 0.0009364100000000, 0.0000128000000000, 0.0015608100000000 ] - [ -0.0002505100000000, 0.0003861000000000, 0.0007704700000000 ] - [ 0.0003391200000000, 0.0001797600000000, 0.0013551400000000 ] - [ -0.0004153500000000, 0.0012750100000000, 0.0040765500000000 ] - [ -0.0004175700000000, 0.0006994500000000, 0.0021028600000000 ] - [ 0.0002572500000000, 0.0001654800000000, 0.0014832600000000 ] - [ 0.0013127600000000, 0.0000169200000000, 0.0017062900000000 ] - [ -0.0000549100000000, -0.0001625900000000, 0.0012507600000000 ] - [ -0.0008313900000000, -0.0014176800000000, -0.0034282100000000 ] - [ 0.0007995300000000, 0.0008980000000000, 0.0014237300000000 ] - [ 0.0007947900000000, -0.0008975300000000, 0.0014248800000000 ] - [ -0.0013097900000000, 0.0014304600000000, -0.0030854100000000 ] - [ -0.0063089300000000, 0.0030303900000000, -0.0008509600000000 ] - [ 0.0002471400000000, -0.0002197400000000, -0.0022381300000000 ] - [ 0.0003009000000000, 0.0002563100000000, -0.0021447600000000 ] - [ 0.0017579200000000, 0.0005041000000000, 0.0050998900000000 ] - [ 0.0003043000000000, 0.0001569300000000, -0.0022204900000000 ] - [ -0.0004845800000000, -0.0002445500000000, 0.0003926200000000 ] - [ -0.0000022000000000, 0.0017730700000000, -0.0009929200000000 ] - [ -0.0000042300000000, -0.0004220900000000, -0.0028744900000000 ] - [ 0.0052932000000000, -0.0026612400000000, -0.0011730300000000 ] - [ 0.0005472900000000, -0.0000890100000000, -0.0014909200000000 ] - [ -0.0043173900000000, 0.0007574000000000, 0.0020331800000000 ] - [ 0.0004296700000000, 0.0001356500000000, -0.0013771200000000 ] - [ -0.0001561700000000, -0.0005939000000000, -0.0027782300000000 ] - [ 0.0002929500000000, 0.0007814000000000, 0.0015279900000000 ] - [ -0.0004194500000000, -0.0031369200000000, -0.0010360600000000 ] - [ 0.0001917200000000, 0.0007141300000000, -0.0036354100000000 ] - [ -0.0002848300000000, -0.0007778200000000, -0.0024433400000000 ] - [ 0.0002221800000000, 0.0005010300000000, 0.0110847700000000 ] - [ 0.0010826400000000, -0.0000815000000000, 0.0090327000000000 ] - [ -0.0002762700000000, 0.0007664000000000, -0.0024739200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004840400000000, -0.0011858100000000, 0.0007483700000000 ] - [ -0.0006147400000000, 0.0000722400000000, -0.0057776500000000 ] - [ 0.0008461000000000, -0.0000733900000000, 0.0020313500000000 ] - [ 0.0008319600000000, 0.0000407900000000, 0.0021495200000000 ] - [ 0.0043671500000000, 0.0079410400000000, -0.0548406600000000 ] - [ 0.0000275200000000, 0.0003428700000000, 0.0017811100000000 ] - [ -0.0000190700000000, -0.0000043400000000, -0.0027204600000000 ] - [ -0.0002317400000000, -0.0001637300000000, -0.0030522700000000 ] - [ 0.0000285100000000, -0.0003366300000000, 0.0017675700000000 ] - [ -0.0019963300000000, -0.0049718300000000, 0.0012216600000000 ] - [ 0.0001452000000000, 0.0004018700000000, 0.0010499300000000 ] - [ 0.0009574900000000, -0.0007989400000000, 0.0016738100000000 ] - [ -0.0001490800000000, 0.0023268600000000, 0.0007414800000000 ] - [ 0.0018325000000000, 0.0024644200000000, 0.0015371300000000 ] - [ -0.0005231400000000, -0.0000087800000000, 0.0008551900000000 ] - [ -0.0013257700000000, 0.0004310300000000, 0.0015094300000000 ] - [ 0.0016992700000000, 0.0013098900000000, -0.0011525300000000 ] - [ -0.0006311100000000, -0.0004476400000000, 0.0023370000000000 ] - [ 0.0005226000000000, -0.0010255000000000, 0.0025672400000000 ] - [ 0.0003698700000000, 0.0005787200000000, -0.0022705200000000 ] - [ -0.0106843300000000, -0.0076784400000000, 0.0779347300000000 ] - [ -0.0001280000000000, 0.0001232200000000, -0.0014187400000000 ] - [ -0.0008395300000000, 0.0004538700000000, 0.0026393500000000 ] - [ 0.0000146400000000, 0.0009753600000000, 0.0025872100000000 ] - [ -0.0000061100000000, -0.0000983500000000, -0.0014401000000000 ] - [ -0.0194211800000000, -0.0313725200000000, -0.0003928000000000 ] - [ 0.0002352400000000, 0.0010306500000000, -0.0018317700000000 ] - [ 0.0002322400000000, -0.0009048900000000, -0.0016686900000000 ] - [ 0.0013137500000000, 0.0012023300000000, 0.0036204800000000 ] - [ 0.0237564500000000, 0.0330469800000000, -0.0045070400000000 ] - [ -0.0001193400000000, -0.0002361900000000, -0.0018955500000000 ] - [ -0.0001288400000000, 0.0001822900000000, -0.0017763800000000 ] - [ -0.0025775000000000, -0.0013060400000000, 0.0031340500000000 ] - [ 0.0000898700000000, 0.0002422400000000, 0.0034770000000000 ] - [ -0.0000445200000000, -0.0003391700000000, -0.0010195300000000 ] - [ -0.0000362800000000, 0.0003651500000000, -0.0010536600000000 ] - [ -0.0002563500000000, -0.0000764400000000, -0.0013440200000000 ] - [ -0.0000484200000000, -0.0014213700000000, 0.0011387600000000 ] - [ 0.0006735300000000, 0.0024699700000000, 0.0007780300000000 ] - [ 0.0000812400000000, -0.0000668000000000, -0.0012028500000000 ] - [ 0.0019133200000000, -0.0009596200000000, -0.0017084000000000 ] - [ -0.0007195400000000, 0.0009949700000000, -0.0010091000000000 ] - [ -0.0002657200000000, -0.0005382200000000, -0.0012423000000000 ] - [ 0.0003637000000000, 0.0032390500000000, -0.0063668500000000 ] - [ -0.0004234900000000, 0.0009228400000000, -0.0021265000000000 ] - [ 0.0001960100000000, -0.0006775200000000, -0.0010960300000000 ] - [ 0.0002462900000000, -0.0006420500000000, -0.0022858400000000 ] - [ -0.0002979600000000, -0.0003880000000000, -0.0010324000000000 ] - [ -0.0002497700000000, -0.0003124800000000, -0.0018354500000000 ] - [ 0.0005597500000000, 0.0015222100000000, 0.0004535200000000 ] - [ -0.0001936600000000, -0.0029279200000000, -0.0005265500000000 ] - [ -0.0005913600000000, 0.0003359800000000, -0.0017715000000000 ] - [ -0.0012587600000000, -0.0003572500000000, -0.0014980700000000 ] - [ 0.0005904000000000, -0.0000451400000000, -0.0007088000000000 ] - [ 0.0000011200000000, -0.0005141700000000, -0.0012862300000000 ] - [ 0.0000694400000000, -0.0009281700000000, -0.0039859300000000 ] - [ 0.0001003600000000, -0.0018977400000000, -0.0015574400000000 ] - [ 0.0000496800000000, 0.0010171800000000, -0.0009453700000000 ] - [ -0.0010004000000000, -0.0012006500000000, -0.0011602700000000 ] - [ -0.0002530100000000, 0.0013571600000000, -0.0007069800000000 ] - [ -0.0008403200000000, -0.0004281800000000, 0.0041740200000000 ] - [ 0.0008359500000000, 0.0009915900000000, -0.0006724500000000 ] - [ 0.0008408900000000, -0.0009917800000000, -0.0006734400000000 ] - [ -0.0003056800000000, 0.0004259600000000, 0.0038346500000000 ] - [ 0.0056773200000000, -0.0026897000000000, -0.0003808200000000 ] - [ 0.0003540100000000, -0.0000978900000000, 0.0010786100000000 ] - [ 0.0002988800000000, 0.0000600900000000, 0.0009876400000000 ] - [ -0.0021183100000000, -0.0009708200000000, -0.0065539300000000 ] - [ 0.0000623300000000, -0.0002039700000000, 0.0019183900000000 ] - [ 0.0001128100000000, 0.0002865300000000, -0.0006895700000000 ] - [ -0.0003657500000000, -0.0018385800000000, 0.0007124800000000 ] - [ 0.0003765000000000, 0.0004759700000000, 0.0025731100000000 ] - [ -0.0062133700000000, 0.0030119100000000, 0.0019779100000000 ] - [ 0.0003750200000000, -0.0002507000000000, 0.0022577900000000 ] - [ 0.0035520300000000, -0.0012005900000000, -0.0010181000000000 ] - [ 0.0004908600000000, 0.0002021800000000, 0.0021411300000000 ] - [ 0.0001920200000000, 0.0000391500000000, 0.0029094500000000 ] - [ -0.0003322800000000, -0.0002383200000000, -0.0014090400000000 ] - [ 0.0003805700000000, 0.0025465700000000, 0.0011213200000000 ] - [ -0.0001497400000000, -0.0001531100000000, 0.0037646500000000 ] - [ -0.0001744500000000, -0.0006695000000000, 0.0028551900000000 ] - [ 0.0002495900000000, 0.0009179100000000, -0.0106942600000000 ] - [ -0.0006791800000000, -0.0013910700000000, -0.0086186900000000 ] - [ -0.0001839400000000, 0.0006808900000000, 0.0028852800000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001351000000000, -0.0002792100000000, -0.0006168900000000 ] - [ -0.0008153600000000, 0.0001352700000000, 0.0003056100000000 ] - [ 0.0006371000000000, -0.0007756500000000, -0.0008680600000000 ] - [ 0.0034570600000000, 0.0013634000000000, 0.0039129600000000 ] - [ -0.0008194800000000, -0.0001380200000000, 0.0001590000000000 ] - [ -0.0023165900000000, 0.0004332500000000, 0.0005355300000000 ] - [ -0.0000068700000000, -0.0002647300000000, -0.0002351900000000 ] - [ -0.0000027600000000, 0.0002474700000000, -0.0002924400000000 ] - [ 0.0670710700000000, 0.0242137000000000, 0.0429081500000000 ] - [ -0.0014369200000000, -0.0026220400000000, 0.0010686200000000 ] - [ -0.0002831600000000, 0.0000846400000000, 0.0002688800000000 ] - [ -0.0003185400000000, -0.0006593700000000, 0.0000700500000000 ] - [ 0.0012966000000000, -0.0007568600000000, -0.0002868000000000 ] - [ 0.0003058200000000, 0.0005756400000000, -0.0001740000000000 ] - [ 0.0011232200000000, -0.0011337300000000, -0.0025114100000000 ] - [ -0.0013490100000000, -0.0003436100000000, 0.0018191400000000 ] - [ 0.0030152800000000, -0.0009749600000000, -0.0013594000000000 ] - [ -0.0003328100000000, 0.0003162100000000, -0.0003209800000000 ] - [ -0.0001510300000000, -0.0004091700000000, -0.0002119500000000 ] - [ -0.0193045800000000, 0.0013079800000000, 0.0028987900000000 ] - [ 0.0000612700000000, -0.0003193500000000, 0.0001607500000000 ] - [ -0.0682880800000000, -0.0495780800000000, -0.0647981100000000 ] - [ -0.0000905800000000, -0.0002973400000000, 0.0004613600000000 ] - [ -0.0000710400000000, 0.0003213500000000, 0.0004209300000000 ] - [ 0.0083867700000000, 0.0000677300000000, 0.0000075800000000 ] - [ -0.0003030300000000, -0.0003591800000000, 0.0001377600000000 ] - [ 0.0001061300000000, 0.0005832000000000, -0.0014811000000000 ] - [ -0.0010013300000000, -0.0001854700000000, -0.0001395400000000 ] - [ -0.0002057800000000, 0.0004287400000000, -0.0001010900000000 ] - [ 0.0000634800000000, -0.0000602500000000, -0.0000862200000000 ] - [ 0.0024031900000000, -0.0046605100000000, -0.0024549100000000 ] - [ -0.0006644500000000, -0.0016697800000000, 0.0005474400000000 ] - [ 0.0000993000000000, 0.0000281700000000, -0.0002122400000000 ] - [ 0.0000356900000000, 0.0003141100000000, 0.0000388400000000 ] - [ 0.0012354000000000, 0.0003928000000000, 0.0000368300000000 ] - [ -0.0015377300000000, 0.0012001500000000, -0.0008176900000000 ] - [ 0.0002461500000000, -0.0001597500000000, 0.0004602900000000 ] - [ -0.0001943800000000, 0.0001650300000000, 0.0004726200000000 ] - [ 0.0004236600000000, 0.0005701500000000, -0.0000792800000000 ] - [ -0.0000459400000000, -0.0002241900000000, -0.0003359300000000 ] - [ -0.0005384000000000, 0.0006513900000000, -0.0014927600000000 ] - [ 0.0000107000000000, 0.0007743600000000, -0.0001102200000000 ] - [ -0.0007294600000000, -0.0001974000000000, -0.0001003200000000 ] - [ 0.0013093100000000, 0.0027652900000000, 0.0017722700000000 ] - [ -0.0002011000000000, 0.0001062800000000, 0.0002628500000000 ] - [ -0.0017525700000000, -0.0005428200000000, 0.0009514900000000 ] - [ 0.0010720300000000, -0.0007748800000000, -0.0009398200000000 ] - [ -0.0002494400000000, 0.0001697200000000, -0.0000304400000000 ] - [ 0.0033763100000000, 0.0012135100000000, -0.0020289000000000 ] - [ 0.0004896500000000, 0.0005525000000000, 0.0002647900000000 ] - [ 0.0003718300000000, -0.0005306600000000, 0.0000611700000000 ] - [ -0.0029631700000000, 0.0065819400000000, 0.0044793100000000 ] - [ -0.0000778300000000, -0.0003254800000000, 0.0001173100000000 ] - [ 0.0004950600000000, 0.0003355600000000, -0.0005498900000000 ] - [ -0.0000012000000000, 0.0007705800000000, 0.0007487400000000 ] - [ -0.0001751400000000, -0.0000474500000000, 0.0002168000000000 ] - [ 0.0014011300000000, -0.0018265900000000, 0.0002845100000000 ] - [ 0.0001899700000000, 0.0004822400000000, 0.0008483600000000 ] - [ -0.0000812000000000, -0.0005436700000000, 0.0001168400000000 ] - [ -0.0015697800000000, 0.0001257000000000, 0.0007258000000000 ] - [ -0.0008025700000000, -0.0009445800000000, 0.0005337700000000 ] - [ -0.0018946500000000, 0.0277631100000000, 0.0180976400000000 ] - [ 0.0018694700000000, -0.0007075300000000, -0.0001173800000000 ] - [ -0.0008237300000000, 0.0009575500000000, 0.0004780500000000 ] - [ 0.0002771800000000, 0.0001288300000000, -0.0008796200000000 ] - [ 0.0001040000000000, -0.0004286000000000, -0.0002055900000000 ] - [ 0.0009104600000000, -0.0009932200000000, -0.0021192300000000 ] - [ -0.0008927800000000, -0.0001649000000000, -0.0008662300000000 ] - [ 0.0061082300000000, -0.0016262800000000, -0.0023578100000000 ] - [ -0.0002027900000000, -0.0000954300000000, -0.0003709200000000 ] - [ -0.0001539600000000, -0.0001047200000000, -0.0004388200000000 ] - [ 0.0059635200000000, -0.0004682100000000, 0.0004691200000000 ] - [ -0.0004590000000000, 0.0002128300000000, 0.0001866700000000 ] - [ -0.0009136400000000, -0.0000911800000000, 0.0001070500000000 ] - [ -0.0004702000000000, -0.0001217800000000, 0.0001147100000000 ] - [ 0.0031313700000000, -0.0013098400000000, 0.0025558100000000 ] - [ -0.0004148000000000, 0.0003652300000000, -0.0006257500000000 ] - [ -0.0000089700000000, 0.0006774600000000, 0.0003673700000000 ] - [ 0.0001657000000000, 0.0001121400000000, -0.0006621600000000 ] - [ 0.0006838000000000, 0.0003715000000000, 0.0006084000000000 ] - [ 0.0080449700000000, -0.0000108300000000, 0.0004634600000000 ] - [ 0.0001991900000000, 0.0006941300000000, -0.0000891500000000 ] - [ 0.0002671900000000, -0.0007362800000000, -0.0001089700000000 ] - [ -0.0113573700000000, -0.0000972100000000, -0.0000462100000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005245800000000, -0.0004910600000000, 0.0001820200000000 ] - [ -0.0008372200000000, 0.0001458800000000, 0.0005435600000000 ] - [ 0.0010184500000000, 0.0004848300000000, 0.0017537800000000 ] - [ -0.0017791800000000, -0.0010680700000000, -0.0030287800000000 ] - [ -0.0008320800000000, -0.0001416400000000, 0.0006906600000000 ] - [ 0.0023270200000000, 0.0000410800000000, -0.0005946300000000 ] - [ -0.0000113900000000, -0.0002517500000000, 0.0000966400000000 ] - [ -0.0000158300000000, 0.0002681600000000, 0.0001535900000000 ] - [ -0.0661979900000000, -0.0246232500000000, -0.0428606700000000 ] - [ 0.0017844900000000, 0.0015278600000000, -0.0006401900000000 ] - [ -0.0000675000000000, 0.0010011300000000, 0.0001601800000000 ] - [ -0.0000264400000000, -0.0004255300000000, 0.0003626800000000 ] - [ -0.0009639700000000, 0.0018483400000000, 0.0007269000000000 ] - [ 0.0000922000000000, 0.0001943500000000, -0.0002550500000000 ] - [ -0.0015448500000000, 0.0003680000000000, 0.0021126900000000 ] - [ 0.0009405900000000, 0.0011275200000000, -0.0022455600000000 ] - [ -0.0024776900000000, 0.0009187500000000, 0.0012965100000000 ] - [ -0.0001555400000000, 0.0004502100000000, -0.0006100300000000 ] - [ -0.0003382000000000, -0.0003566500000000, -0.0007181200000000 ] - [ 0.0198473600000000, -0.0005399900000000, -0.0034442600000000 ] - [ 0.0000447400000000, -0.0003114000000000, -0.0002259500000000 ] - [ 0.0671336300000000, 0.0500871500000000, 0.0639765300000000 ] - [ -0.0000403800000000, -0.0002794900000000, 0.0000436600000000 ] - [ -0.0000598400000000, 0.0002561200000000, 0.0000844000000000 ] - [ -0.0082541000000000, -0.0006226400000000, 0.0004584000000000 ] - [ -0.0001856500000000, -0.0005001400000000, -0.0004470100000000 ] - [ 0.0003719000000000, 0.0002750500000000, 0.0011467400000000 ] - [ 0.0014972800000000, -0.0006818000000000, -0.0001961600000000 ] - [ -0.0002813600000000, 0.0004289200000000, -0.0002062300000000 ] - [ 0.0001146700000000, 0.0000204000000000, -0.0005607900000000 ] - [ -0.0025796800000000, 0.0046500800000000, 0.0017758000000000 ] - [ 0.0004967600000000, 0.0016547800000000, -0.0012251100000000 ] - [ 0.0000793000000000, 0.0000108800000000, -0.0004347000000000 ] - [ 0.0000712400000000, 0.0003150900000000, -0.0001046200000000 ] - [ -0.0013338100000000, -0.0010130800000000, -0.0001215500000000 ] - [ 0.0014109900000000, -0.0006082200000000, 0.0007342500000000 ] - [ -0.0003489500000000, 0.0002968800000000, -0.0001810000000000 ] - [ 0.0003135400000000, -0.0003013900000000, -0.0001882200000000 ] - [ -0.0003118700000000, -0.0004261600000000, 0.0003700700000000 ] - [ -0.0000748500000000, 0.0000754700000000, 0.0006244200000000 ] - [ 0.0012343400000000, -0.0018890000000000, 0.0009331600000000 ] - [ -0.0006948600000000, 0.0004533600000000, -0.0004587500000000 ] - [ 0.0000392500000000, -0.0010301700000000, -0.0004666400000000 ] - [ -0.0006230300000000, -0.0015212700000000, -0.0023179700000000 ] - [ -0.0003504100000000, -0.0001751400000000, -0.0003267900000000 ] - [ 0.0022899400000000, 0.0006137100000000, -0.0010452900000000 ] - [ -0.0005771500000000, 0.0000026900000000, -0.0000424400000000 ] - [ -0.0002999400000000, -0.0001002200000000, -0.0000331500000000 ] - [ -0.0042155800000000, -0.0022512100000000, 0.0019353900000000 ] - [ 0.0003486400000000, 0.0004530400000000, -0.0003464000000000 ] - [ 0.0004635000000000, -0.0004736000000000, -0.0001446800000000 ] - [ 0.0021152600000000, -0.0055687500000000, -0.0046022800000000 ] - [ -0.0002575200000000, -0.0000163000000000, -0.0000480500000000 ] - [ -0.0001485200000000, -0.0000034200000000, 0.0006073900000000 ] - [ 0.0003364900000000, -0.0011170900000000, -0.0006995300000000 ] - [ -0.0001627400000000, 0.0003874500000000, -0.0001490800000000 ] - [ -0.0017046300000000, 0.0006186200000000, 0.0002772900000000 ] - [ 0.0001176900000000, 0.0007135100000000, -0.0002833100000000 ] - [ 0.0004005200000000, -0.0006494600000000, 0.0004342900000000 ] - [ 0.0012747200000000, 0.0010699500000000, -0.0001800100000000 ] - [ -0.0008334800000000, -0.0009475600000000, 0.0002244400000000 ] - [ 0.0037997000000000, -0.0259739600000000, -0.0173600200000000 ] - [ -0.0002440600000000, -0.0011569100000000, 0.0008491600000000 ] - [ -0.0008130200000000, 0.0009340500000000, 0.0002799300000000 ] - [ -0.0008748900000000, 0.0001860400000000, -0.0002922000000000 ] - [ 0.0005003400000000, 0.0001099800000000, -0.0009439500000000 ] - [ -0.0003067000000000, 0.0012856900000000, 0.0009481700000000 ] - [ 0.0002896400000000, -0.0001485500000000, -0.0003107600000000 ] - [ -0.0059714600000000, 0.0017464900000000, 0.0023211700000000 ] - [ -0.0001669900000000, 0.0001423100000000, 0.0000554300000000 ] - [ -0.0002135200000000, 0.0000561500000000, 0.0001217800000000 ] - [ -0.0051866500000000, 0.0004366600000000, -0.0004226000000000 ] - [ -0.0004626400000000, 0.0001254400000000, 0.0005672000000000 ] - [ 0.0018420200000000, -0.0002553800000000, 0.0006695500000000 ] - [ -0.0004523300000000, -0.0002159400000000, 0.0006399800000000 ] - [ -0.0022173500000000, 0.0016191000000000, -0.0017593900000000 ] - [ 0.0004001900000000, -0.0008916000000000, 0.0007344700000000 ] - [ -0.0000341500000000, -0.0001273800000000, -0.0002475600000000 ] - [ -0.0001943900000000, -0.0006645200000000, 0.0007884300000000 ] - [ -0.0005934500000000, 0.0001775100000000, -0.0004838900000000 ] - [ -0.0085184300000000, -0.0014226600000000, 0.0000519700000000 ] - [ 0.0002605700000000, 0.0007511200000000, 0.0004833600000000 ] - [ 0.0001921600000000, -0.0007095300000000, 0.0005045000000000 ] - [ 0.0108625600000000, 0.0016220800000000, 0.0005327800000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001082300000000, -0.0002825700000000, -0.0007789100000000 ] - [ -0.0008694300000000, 0.0002810500000000, 0.0000870500000000 ] - [ 0.0037733400000000, -0.0053584200000000, 0.0024948700000000 ] - [ -0.0003089400000000, -0.0062267900000000, -0.0021628300000000 ] - [ -0.0007607800000000, 0.0000190900000000, 0.0002444200000000 ] - [ -0.0015124400000000, 0.0039037700000000, 0.0014119900000000 ] - [ 0.0000475100000000, -0.0003247300000000, -0.0003723600000000 ] - [ -0.0000644700000000, 0.0001835800000000, -0.0003044800000000 ] - [ 0.0229134400000000, 0.0987098200000000, 0.0773289800000000 ] - [ 0.0007646400000000, 0.0001837700000000, -0.0012545400000000 ] - [ -0.0000313400000000, -0.0013112900000000, 0.0013197000000000 ] - [ -0.0004301900000000, -0.0014115500000000, -0.0007160800000000 ] - [ -0.0018618900000000, 0.0022401800000000, 0.0019899800000000 ] - [ 0.0001516700000000, 0.0005053400000000, -0.0002103700000000 ] - [ 0.0021101100000000, -0.0051825400000000, -0.0050140600000000 ] - [ -0.0003398000000000, -0.0014451900000000, 0.0015460500000000 ] - [ -0.0011232100000000, 0.0012262200000000, 0.0013231100000000 ] - [ -0.0001503400000000, 0.0006175800000000, -0.0001586600000000 ] - [ -0.0003522000000000, -0.0001307400000000, -0.0002214700000000 ] - [ 0.0012705100000000, -0.0183647500000000, -0.0001428600000000 ] - [ 0.0000504000000000, -0.0004550800000000, 0.0001260700000000 ] - [ -0.0491279400000000, -0.1626496200000000, -0.1144453800000000 ] - [ -0.0000755700000000, -0.0002259200000000, 0.0004854200000000 ] - [ -0.0000990500000000, 0.0004154800000000, 0.0005167000000000 ] - [ -0.0002710400000000, -0.0037485200000000, -0.0003232700000000 ] - [ -0.0002896200000000, -0.0004588700000000, -0.0001158200000000 ] - [ 0.0003748500000000, 0.0018434400000000, 0.0010721000000000 ] - [ -0.0031653700000000, 0.0012645400000000, -0.0023485800000000 ] - [ -0.0002597400000000, 0.0003094500000000, 0.0002473600000000 ] - [ 0.0000689100000000, -0.0001094700000000, -0.0001270100000000 ] - [ -0.0023645900000000, 0.0059436800000000, 0.0010358300000000 ] - [ -0.0034209000000000, 0.0050105600000000, -0.0011940200000000 ] - [ 0.0000880400000000, 0.0000098600000000, -0.0000573600000000 ] - [ 0.0000480000000000, 0.0001649600000000, 0.0001511900000000 ] - [ -0.0006178600000000, 0.0055577300000000, -0.0007235100000000 ] - [ 0.0020931400000000, 0.0127407100000000, 0.0006938900000000 ] - [ 0.0008498800000000, -0.0004245400000000, 0.0019452700000000 ] - [ 0.0006712200000000, 0.0000855100000000, -0.0004770400000000 ] - [ -0.0001471200000000, 0.0002746000000000, 0.0009576900000000 ] - [ 0.0000777200000000, -0.0008894100000000, -0.0028493200000000 ] - [ 0.0010316200000000, -0.0026123300000000, 0.0003542800000000 ] - [ 0.0001495100000000, 0.0013724900000000, 0.0000770600000000 ] - [ -0.0008575200000000, 0.0007801200000000, -0.0000888100000000 ] - [ 0.0003426600000000, -0.0006521000000000, -0.0003366500000000 ] - [ 0.0000945500000000, 0.0000786800000000, 0.0007205800000000 ] - [ 0.0002684400000000, 0.0004792200000000, -0.0041760500000000 ] - [ 0.0006702900000000, -0.0027817000000000, -0.0014266800000000 ] - [ -0.0007143400000000, 0.0002765900000000, -0.0004537100000000 ] - [ 0.0011535500000000, -0.0003115000000000, -0.0026500800000000 ] - [ 0.0004739600000000, 0.0005713400000000, 0.0003359900000000 ] - [ 0.0004016100000000, -0.0005361600000000, 0.0001878000000000 ] - [ 0.0041237700000000, 0.0125349600000000, 0.0128522200000000 ] - [ -0.0001581200000000, -0.0004616000000000, 0.0002251100000000 ] - [ 0.0007068300000000, 0.0018536700000000, -0.0006346800000000 ] - [ -0.0000652200000000, 0.0049443600000000, 0.0009707800000000 ] - [ -0.0000819400000000, -0.0001972600000000, 0.0001856200000000 ] - [ 0.0002577300000000, -0.0002828900000000, -0.0008401700000000 ] - [ 0.0001623900000000, 0.0001624400000000, 0.0008934900000000 ] - [ 0.0003944200000000, -0.0008139400000000, 0.0001817900000000 ] - [ -0.0012678300000000, 0.0018501400000000, 0.0028454600000000 ] - [ -0.0007672200000000, -0.0009239500000000, 0.0005008800000000 ] - [ 0.0313049500000000, 0.0391163000000000, 0.0353767300000000 ] - [ 0.0056172300000000, -0.0015700400000000, -0.0003676100000000 ] - [ -0.0008440600000000, 0.0009979500000000, 0.0005936500000000 ] - [ -0.0004297100000000, 0.0006792300000000, -0.0014315500000000 ] - [ 0.0000324600000000, -0.0017369700000000, 0.0003927700000000 ] - [ 0.0013882400000000, -0.0034543900000000, -0.0041851700000000 ] - [ -0.0001977800000000, 0.0003037200000000, -0.0006563200000000 ] - [ -0.0017312800000000, 0.0061004100000000, 0.0019823800000000 ] - [ -0.0001091100000000, -0.0002704200000000, -0.0004443100000000 ] - [ -0.0002283600000000, -0.0002640700000000, -0.0005646200000000 ] - [ 0.0003794500000000, 0.0061595800000000, 0.0010518500000000 ] - [ -0.0004756500000000, 0.0003331800000000, 0.0002205400000000 ] - [ -0.0002250500000000, -0.0032408900000000, 0.0006692200000000 ] - [ -0.0004610400000000, -0.0000167600000000, -0.0000286400000000 ] - [ -0.0002641400000000, -0.0101593200000000, 0.0054909200000000 ] - [ 0.0001697700000000, 0.0024473300000000, 0.0005506400000000 ] - [ 0.0003880100000000, -0.0013947100000000, -0.0006353800000000 ] - [ 0.0001035000000000, -0.0021211700000000, 0.0001078100000000 ] - [ -0.0000364300000000, 0.0022990500000000, -0.0010195200000000 ] - [ 0.0000855600000000, 0.0149889100000000, -0.0078107000000000 ] - [ 0.0002291500000000, 0.0006772400000000, -0.0003370000000000 ] - [ 0.0002518300000000, -0.0007496400000000, -0.0000283500000000 ] - [ -0.0088679900000000, 0.0030539800000000, 0.0003686400000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005036100000000, -0.0004849800000000, 0.0003551700000000 ] - [ -0.0007839000000000, 0.0000007200000000, 0.0007737900000000 ] - [ -0.0021051300000000, 0.0050581600000000, -0.0016266800000000 ] - [ 0.0019356900000000, 0.0064743000000000, 0.0030307300000000 ] - [ -0.0008918400000000, -0.0002993100000000, 0.0006168700000000 ] - [ 0.0015100900000000, -0.0033259300000000, -0.0015545200000000 ] - [ -0.0000664300000000, -0.0001905000000000, 0.0002448200000000 ] - [ 0.0000451100000000, 0.0003309600000000, 0.0001771900000000 ] - [ -0.0239832100000000, -0.0999012400000000, -0.0812800600000000 ] - [ -0.0004208900000000, -0.0012547000000000, 0.0016879400000000 ] - [ -0.0003067100000000, 0.0023859200000000, -0.0008680200000000 ] - [ 0.0000914300000000, 0.0003231300000000, 0.0011569900000000 ] - [ 0.0022012300000000, -0.0011693000000000, -0.0015395300000000 ] - [ 0.0002486100000000, 0.0002626700000000, -0.0002078100000000 ] - [ -0.0024900400000000, 0.0044083300000000, 0.0045798500000000 ] - [ -0.0000551900000000, 0.0021922700000000, -0.0019593400000000 ] - [ 0.0016851100000000, -0.0013052300000000, -0.0013955000000000 ] - [ -0.0003383800000000, 0.0001512500000000, -0.0007838200000000 ] - [ -0.0001372500000000, -0.0006358100000000, -0.0007206200000000 ] - [ -0.0007467700000000, 0.0191127500000000, -0.0003074000000000 ] - [ 0.0000566400000000, -0.0001751900000000, -0.0001999600000000 ] - [ 0.0505687700000000, 0.1627232800000000, 0.1194246600000000 ] - [ -0.0000545200000000, -0.0003498200000000, 0.0000087400000000 ] - [ -0.0000311500000000, 0.0001613500000000, -0.0000219300000000 ] - [ 0.0004165300000000, 0.0031471800000000, 0.0008448100000000 ] - [ -0.0001979300000000, -0.0004002700000000, -0.0002035800000000 ] - [ 0.0001152500000000, -0.0009597600000000, -0.0014043000000000 ] - [ 0.0036123100000000, -0.0021279100000000, 0.0020019600000000 ] - [ -0.0002275000000000, 0.0005485300000000, -0.0005647400000000 ] - [ 0.0001097900000000, 0.0000711500000000, -0.0005307100000000 ] - [ 0.0022174000000000, -0.0059031300000000, -0.0016806000000000 ] - [ 0.0032039100000000, -0.0050241900000000, 0.0005543600000000 ] - [ 0.0000906900000000, 0.0000276600000000, -0.0006001400000000 ] - [ 0.0000591300000000, 0.0004634600000000, -0.0002253700000000 ] - [ 0.0005008800000000, -0.0061722700000000, 0.0006500400000000 ] - [ -0.0021774200000000, -0.0120150800000000, -0.0007543400000000 ] - [ -0.0009644600000000, 0.0005698000000000, -0.0016728900000000 ] - [ -0.0005542400000000, -0.0002138300000000, 0.0007516400000000 ] - [ 0.0002631800000000, -0.0001448300000000, -0.0006786300000000 ] - [ -0.0001936700000000, 0.0007237500000000, 0.0030906900000000 ] - [ -0.0003424300000000, 0.0013887300000000, -0.0009358600000000 ] - [ -0.0008384600000000, -0.0001413500000000, -0.0006559800000000 ] - [ 0.0001729500000000, -0.0020053200000000, -0.0004929200000000 ] - [ 0.0003428700000000, 0.0018629400000000, -0.0002419600000000 ] - [ -0.0006508000000000, -0.0001441000000000, -0.0007935500000000 ] - [ 0.0002833700000000, -0.0003807200000000, 0.0040971600000000 ] - [ -0.0001776000000000, 0.0020004500000000, 0.0004790100000000 ] - [ 0.0001538600000000, -0.0002079800000000, 0.0003735600000000 ] - [ -0.0019810800000000, -0.0006648800000000, 0.0025553900000000 ] - [ 0.0003636000000000, 0.0004311300000000, -0.0004304800000000 ] - [ 0.0004344300000000, -0.0004659200000000, -0.0002841400000000 ] - [ -0.0048540100000000, -0.0113576600000000, -0.0127477000000000 ] - [ -0.0001784600000000, 0.0001187800000000, -0.0001645200000000 ] - [ -0.0003747100000000, -0.0014985400000000, 0.0007006700000000 ] - [ 0.0003993800000000, -0.0052656100000000, -0.0008979800000000 ] - [ -0.0002543600000000, 0.0005354000000000, -0.0001259500000000 ] - [ -0.0005679900000000, -0.0008949400000000, 0.0013791100000000 ] - [ 0.0001464000000000, 0.0010374000000000, -0.0003403200000000 ] - [ -0.0000768700000000, -0.0003830000000000, 0.0003610600000000 ] - [ 0.0009472400000000, -0.0006648600000000, -0.0022867900000000 ] - [ -0.0008686200000000, -0.0009663400000000, 0.0002492500000000 ] - [ -0.0301809900000000, -0.0376548700000000, -0.0352054100000000 ] - [ -0.0039180100000000, -0.0003483500000000, 0.0011223300000000 ] - [ -0.0007919900000000, 0.0008919300000000, 0.0001566700000000 ] - [ -0.0001705800000000, -0.0003579000000000, 0.0002739100000000 ] - [ 0.0005620500000000, 0.0014164800000000, -0.0015287300000000 ] - [ -0.0007900600000000, 0.0037438300000000, 0.0030422100000000 ] - [ -0.0004029900000000, -0.0006197500000000, -0.0004984200000000 ] - [ 0.0019728000000000, -0.0060897000000000, -0.0021695400000000 ] - [ -0.0002588900000000, 0.0003169700000000, 0.0001442800000000 ] - [ -0.0001403800000000, 0.0002134700000000, 0.0002631800000000 ] - [ -0.0000045100000000, -0.0060937300000000, -0.0013548100000000 ] - [ -0.0004460700000000, 0.0000063500000000, 0.0005493400000000 ] - [ 0.0011423700000000, 0.0028989100000000, 0.0000772800000000 ] - [ -0.0004604500000000, -0.0003202400000000, 0.0007967000000000 ] - [ 0.0012010000000000, 0.0104920500000000, -0.0047540100000000 ] - [ -0.0001670300000000, -0.0029529900000000, -0.0004370900000000 ] - [ -0.0004227700000000, 0.0019461500000000, 0.0007642000000000 ] - [ -0.0001415200000000, 0.0015544600000000, 0.0000226500000000 ] - [ 0.0001162300000000, -0.0017512300000000, 0.0011270300000000 ] - [ -0.0003325900000000, -0.0151301800000000, 0.0074345700000000 ] - [ 0.0002303000000000, 0.0007689300000000, 0.0007506600000000 ] - [ 0.0002075300000000, -0.0006975600000000, 0.0004428400000000 ] - [ 0.0084090800000000, -0.0016499600000000, 0.0000132900000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016741400000000, -0.0012988800000000, -0.0033914400000000 ] - [ -0.0007321600000000, 0.0001858600000000, -0.0020574300000000 ] - [ 0.0011144900000000, -0.0005336600000000, 0.0052412500000000 ] - [ 0.0036219300000000, 0.0000985100000000, 0.0057238800000000 ] - [ -0.0007737400000000, -0.0002526400000000, -0.0021860400000000 ] - [ 0.0006516800000000, -0.0007073700000000, 0.0064188200000000 ] - [ 0.0000345300000000, -0.0001693100000000, -0.0026287800000000 ] - [ 0.0000451100000000, 0.0001721100000000, -0.0026274300000000 ] - [ 0.0433019900000000, 0.0823798200000000, 0.2087006400000000 ] - [ 0.0005178000000000, -0.0017615800000000, -0.0014608800000000 ] - [ -0.0011490800000000, 0.0018414100000000, -0.0014795700000000 ] - [ -0.0004233400000000, -0.0016644400000000, -0.0009593400000000 ] - [ 0.0024721400000000, 0.0020136700000000, -0.0030362700000000 ] - [ -0.0005389400000000, 0.0013184200000000, -0.0025681100000000 ] - [ 0.0014241200000000, -0.0026516600000000, -0.0029381100000000 ] - [ -0.0009855000000000, 0.0016783000000000, 0.0000174700000000 ] - [ -0.0021952400000000, 0.0027554500000000, 0.0014881400000000 ] - [ -0.0002143800000000, 0.0000127500000000, 0.0020543600000000 ] - [ -0.0000308500000000, -0.0000894300000000, 0.0020390300000000 ] - [ 0.0047969200000000, -0.0012297700000000, 0.0751390400000000 ] - [ 0.0000686000000000, -0.0002669500000000, 0.0016335600000000 ] - [ -0.0623718200000000, -0.1129607800000000, -0.3240123000000000 ] - [ -0.0002732300000000, -0.0005296600000000, 0.0025959600000000 ] - [ -0.0002322900000000, 0.0005604500000000, 0.0026080400000000 ] - [ -0.0001632100000000, 0.0002941800000000, -0.0062750100000000 ] - [ -0.0002033500000000, 0.0001457400000000, 0.0023040500000000 ] - [ -0.0012654300000000, 0.0022965700000000, -0.0027589500000000 ] - [ 0.0013637600000000, -0.0023173100000000, -0.0028786400000000 ] - [ -0.0002697400000000, -0.0000058900000000, 0.0021085200000000 ] - [ 0.0000164300000000, -0.0002630500000000, 0.0020514600000000 ] - [ 0.0002594200000000, -0.0020432700000000, -0.0063048700000000 ] - [ 0.0004475100000000, 0.0015999600000000, -0.0056230500000000 ] - [ 0.0000393500000000, 0.0002406700000000, 0.0019428300000000 ] - [ 0.0000319800000000, 0.0003156400000000, 0.0016547400000000 ] - [ 0.0006169400000000, 0.0008225700000000, -0.0023730300000000 ] - [ -0.0020685000000000, -0.0020470500000000, -0.0024231100000000 ] - [ 0.0011487700000000, 0.0013590500000000, 0.0005086200000000 ] - [ -0.0008125400000000, -0.0014779600000000, 0.0028267700000000 ] - [ -0.0000769100000000, 0.0009131900000000, 0.0023792800000000 ] - [ -0.0007078000000000, -0.0031829500000000, 0.0015753000000000 ] - [ -0.0001628800000000, -0.0014106800000000, 0.0027140100000000 ] - [ -0.0001537200000000, 0.0013721800000000, 0.0004359800000000 ] - [ -0.0007741700000000, -0.0014184200000000, 0.0006996700000000 ] - [ 0.0006794200000000, 0.0018987900000000, 0.0023285100000000 ] - [ -0.0004424100000000, 0.0008212900000000, 0.0020870000000000 ] - [ 0.0000221900000000, -0.0040154400000000, 0.0049414900000000 ] - [ 0.0003551500000000, -0.0013087000000000, -0.0044579400000000 ] - [ -0.0001110700000000, -0.0006015000000000, 0.0020981300000000 ] - [ -0.0014659000000000, -0.0033320300000000, -0.0033008800000000 ] - [ 0.0008862100000000, 0.0015295000000000, 0.0030706700000000 ] - [ 0.0005219600000000, -0.0013376000000000, 0.0027653100000000 ] - [ 0.0031990600000000, 0.0148837100000000, 0.0038630700000000 ] - [ 0.0000244000000000, 0.0003686500000000, 0.0025100600000000 ] - [ 0.0006836900000000, -0.0006672600000000, -0.0007815300000000 ] - [ 0.0005987000000000, 0.0029531400000000, 0.0003093900000000 ] - [ -0.0002613000000000, -0.0006629000000000, 0.0024249000000000 ] - [ 0.0008977400000000, -0.0020670900000000, 0.0013734200000000 ] - [ 0.0008109100000000, 0.0020603000000000, 0.0041673600000000 ] - [ 0.0022846800000000, -0.0017022700000000, 0.0022879600000000 ] - [ -0.0003162300000000, 0.0019731000000000, 0.0022189600000000 ] - [ -0.0007989300000000, -0.0009000900000000, 0.0020590300000000 ] - [ 0.0155198200000000, 0.0265492400000000, 0.0001244000000000 ] - [ -0.0006136500000000, -0.0004159300000000, -0.0025146400000000 ] - [ -0.0007889200000000, 0.0009115400000000, 0.0020431900000000 ] - [ -0.0003128500000000, -0.0003062200000000, -0.0037458800000000 ] - [ 0.0007699000000000, -0.0000350700000000, 0.0001761700000000 ] - [ 0.0001130300000000, -0.0030010500000000, -0.0022569300000000 ] - [ -0.0000562200000000, 0.0001374100000000, -0.0034015100000000 ] - [ -0.0016356900000000, 0.0002754100000000, 0.0071881200000000 ] - [ -0.0002305500000000, 0.0001230600000000, -0.0027178100000000 ] - [ 0.0000162400000000, -0.0003204100000000, -0.0029206000000000 ] - [ 0.0013087400000000, 0.0004137500000000, 0.0058378100000000 ] - [ -0.0004927200000000, 0.0003526100000000, -0.0027599900000000 ] - [ -0.0003262600000000, -0.0012615700000000, 0.0048346500000000 ] - [ -0.0005945700000000, -0.0002469600000000, -0.0026592900000000 ] - [ 0.0017269200000000, 0.0039894500000000, 0.0071740200000000 ] - [ -0.0070399300000000, 0.0043540900000000, -0.0067081100000000 ] - [ 0.0001073000000000, -0.0003000600000000, -0.0025177400000000 ] - [ -0.0008681800000000, 0.0006725700000000, -0.0032655700000000 ] - [ 0.0072624600000000, -0.0013569100000000, -0.0057942400000000 ] - [ 0.0000886100000000, -0.0060607300000000, 0.0262646700000000 ] - [ 0.0002652900000000, 0.0007656200000000, -0.0037709900000000 ] - [ 0.0003022800000000, -0.0007614200000000, -0.0040485000000000 ] - [ -0.0058098300000000, 0.0015342100000000, 0.0085948100000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0020802200000000, 0.0005308400000000, 0.0029778500000000 ] - [ -0.0009188200000000, 0.0000927100000000, 0.0029125500000000 ] - [ 0.0005313800000000, 0.0002674600000000, -0.0044057600000000 ] - [ -0.0019597600000000, 0.0001894700000000, -0.0048932600000000 ] - [ -0.0008779800000000, -0.0000273700000000, 0.0030405100000000 ] - [ -0.0006143900000000, 0.0012143400000000, -0.0065986900000000 ] - [ -0.0000535600000000, -0.0003499400000000, 0.0024920600000000 ] - [ -0.0000635300000000, 0.0003479500000000, 0.0024904800000000 ] - [ -0.0472188100000000, -0.0909826300000000, -0.2201973700000000 ] - [ -0.0001761000000000, 0.0006900900000000, 0.0019066500000000 ] - [ 0.0008014100000000, -0.0007795100000000, 0.0019153700000000 ] - [ 0.0000755100000000, 0.0006060600000000, 0.0013969600000000 ] - [ -0.0021181300000000, -0.0009410000000000, 0.0034660100000000 ] - [ 0.0009371900000000, -0.0005496000000000, 0.0021473500000000 ] - [ -0.0018337400000000, 0.0019042900000000, 0.0025485100000000 ] - [ 0.0005780000000000, -0.0009029100000000, -0.0004254700000000 ] - [ 0.0027298800000000, -0.0028048800000000, -0.0015577800000000 ] - [ -0.0002770700000000, 0.0007583900000000, -0.0029939100000000 ] - [ -0.0004590900000000, -0.0006834900000000, -0.0029787600000000 ] - [ -0.0044288800000000, 0.0019756400000000, -0.0778209600000000 ] - [ 0.0000411700000000, -0.0003571600000000, -0.0017060100000000 ] - [ 0.0664992800000000, 0.1210555000000000, 0.3369263800000000 ] - [ 0.0001427300000000, -0.0000500500000000, -0.0021009500000000 ] - [ 0.0001017700000000, 0.0000182400000000, -0.0021133200000000 ] - [ 0.0002900100000000, -0.0008709600000000, 0.0067575600000000 ] - [ -0.0002854200000000, -0.0010105300000000, -0.0026203500000000 ] - [ 0.0017515900000000, -0.0014437100000000, 0.0024655700000000 ] - [ -0.0008538000000000, 0.0014615700000000, 0.0025942400000000 ] - [ -0.0002194800000000, 0.0008722100000000, -0.0024264600000000 ] - [ 0.0001624700000000, 0.0002188200000000, -0.0027043200000000 ] - [ -0.0004545500000000, 0.0021060900000000, 0.0056459000000000 ] - [ -0.0006065500000000, -0.0016760000000000, 0.0049629900000000 ] - [ 0.0001390500000000, -0.0001956200000000, -0.0025956900000000 ] - [ 0.0000775600000000, 0.0003099800000000, -0.0017271100000000 ] - [ -0.0007195400000000, -0.0014550000000000, 0.0023054300000000 ] - [ 0.0019524100000000, 0.0026429000000000, 0.0023517000000000 ] - [ -0.0012643000000000, -0.0012361700000000, -0.0002140800000000 ] - [ 0.0009247000000000, 0.0013378500000000, -0.0025436800000000 ] - [ 0.0001932100000000, -0.0007773700000000, -0.0021001700000000 ] - [ 0.0005967400000000, 0.0030745900000000, -0.0012708400000000 ] - [ 0.0008364600000000, 0.0002003000000000, -0.0032782500000000 ] - [ -0.0005227600000000, -0.0001671700000000, -0.0009964700000000 ] - [ 0.0000953400000000, 0.0002135200000000, -0.0012598400000000 ] - [ -0.0000021200000000, -0.0006809900000000, -0.0028963700000000 ] - [ -0.0001010800000000, -0.0009004800000000, -0.0021562500000000 ] - [ 0.0005356200000000, 0.0040481700000000, -0.0049782200000000 ] - [ 0.0001326800000000, 0.0005486600000000, 0.0035526500000000 ] - [ -0.0004313700000000, 0.0006785400000000, -0.0021655100000000 ] - [ 0.0006295100000000, 0.0023259700000000, 0.0031786100000000 ] - [ -0.0000534400000000, -0.0005329500000000, -0.0031676800000000 ] - [ 0.0003133100000000, 0.0003395200000000, -0.0028604600000000 ] - [ -0.0039715900000000, -0.0137668100000000, -0.0039906600000000 ] - [ -0.0003663300000000, -0.0007079500000000, -0.0024559500000000 ] - [ -0.0003417300000000, 0.0010018900000000, 0.0008268500000000 ] - [ -0.0002562000000000, -0.0032958000000000, -0.0002637500000000 ] - [ -0.0000801400000000, 0.0010051700000000, -0.0023697500000000 ] - [ -0.0012064100000000, 0.0008741800000000, -0.0008248600000000 ] - [ -0.0004925000000000, -0.0008965200000000, -0.0036308900000000 ] - [ -0.0019832300000000, 0.0005315800000000, -0.0017359700000000 ] - [ 0.0000112200000000, -0.0007874000000000, -0.0016818400000000 ] - [ -0.0008367400000000, -0.0009971700000000, -0.0013064300000000 ] - [ -0.0138941000000000, -0.0246574400000000, 0.0008487700000000 ] - [ 0.0022160600000000, -0.0014828800000000, 0.0032772600000000 ] - [ -0.0008463500000000, 0.0009857200000000, -0.0012908700000000 ] - [ -0.0002879800000000, 0.0006184100000000, 0.0025861800000000 ] - [ -0.0001693900000000, -0.0002813100000000, -0.0013621300000000 ] - [ 0.0004913800000000, 0.0033376600000000, 0.0010717600000000 ] - [ -0.0005429600000000, -0.0004537100000000, 0.0022389300000000 ] - [ 0.0016659900000000, -0.0001540600000000, -0.0071858600000000 ] - [ -0.0001369400000000, -0.0000771200000000, 0.0024030200000000 ] - [ -0.0003847300000000, 0.0002772000000000, 0.0026068300000000 ] - [ -0.0006172100000000, -0.0004452100000000, -0.0058679100000000 ] - [ -0.0004299300000000, -0.0000151100000000, 0.0035292400000000 ] - [ 0.0012495900000000, 0.0009273600000000, -0.0040359800000000 ] - [ -0.0003269100000000, -0.0000920800000000, 0.0034282700000000 ] - [ -0.0008061300000000, -0.0036435200000000, -0.0063652200000000 ] - [ 0.0071301200000000, -0.0049487500000000, 0.0068511200000000 ] - [ -0.0001457200000000, 0.0008542700000000, 0.0026629900000000 ] - [ 0.0008276800000000, -0.0012156400000000, 0.0034073400000000 ] - [ -0.0072840400000000, 0.0019262200000000, 0.0059281300000000 ] - [ -0.0005041700000000, 0.0050388900000000, -0.0260200100000000 ] - [ 0.0001958100000000, 0.0006767200000000, 0.0041801600000000 ] - [ 0.0001584900000000, -0.0006803200000000, 0.0044569500000000 ] - [ 0.0053301900000000, -0.0001106700000000, -0.0081970200000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007068900000000, 0.0012791200000000, 0.0006684500000000 ] - [ -0.0037307900000000, 0.0040810200000000, -0.0000733000000000 ] - [ 0.0008041200000000, -0.0001394200000000, 0.0004082400000000 ] - [ 0.0008521900000000, 0.0001585400000000, 0.0004603700000000 ] - [ 0.0591523800000000, 0.0199047100000000, 0.0300061500000000 ] - [ 0.0000077500000000, 0.0002545200000000, -0.0000442600000000 ] - [ 0.0009816200000000, -0.0027294900000000, -0.0003889100000000 ] - [ -0.0020303800000000, 0.0017128200000000, -0.0033696800000000 ] - [ 0.0000033100000000, -0.0002688800000000, -0.0000874700000000 ] - [ -0.0006336200000000, -0.0018630600000000, 0.0003420100000000 ] - [ -0.0001252800000000, 0.0004436300000000, 0.0002056100000000 ] - [ -0.0003669000000000, -0.0004679100000000, 0.0002426300000000 ] - [ -0.0001646400000000, 0.0032875500000000, -0.0042804100000000 ] - [ -0.0002047100000000, 0.0004324200000000, -0.0008435500000000 ] - [ 0.0005058900000000, -0.0001632000000000, -0.0006293800000000 ] - [ -0.0023448500000000, 0.0008596800000000, 0.0007278600000000 ] - [ 0.0010400800000000, 0.0004081600000000, -0.0002125500000000 ] - [ -0.0004443900000000, 0.0032004900000000, 0.0003332400000000 ] - [ 0.0029300800000000, -0.0037808900000000, -0.0005744500000000 ] - [ 0.0002347500000000, 0.0003535700000000, -0.0004636900000000 ] - [ 0.0051943300000000, 0.0296309700000000, 0.0191591900000000 ] - [ 0.0000060000000000, 0.0002441500000000, 0.0002863100000000 ] - [ -0.0002054100000000, -0.0001644500000000, 0.0017605200000000 ] - [ -0.0012994900000000, 0.0036572700000000, -0.0008553500000000 ] - [ 0.0001014200000000, -0.0002741900000000, 0.0002201100000000 ] - [ -0.0818986000000000, -0.0525806400000000, -0.0449057100000000 ] - [ 0.0002293400000000, 0.0004050700000000, -0.0001797200000000 ] - [ 0.0002480300000000, -0.0004307400000000, -0.0001496200000000 ] - [ 0.0018963400000000, 0.0000166300000000, 0.0002817700000000 ] - [ -0.0173819100000000, 0.0000258300000000, -0.0015052100000000 ] - [ -0.0001572400000000, 0.0000143000000000, -0.0003863700000000 ] - [ -0.0000638800000000, -0.0000235400000000, -0.0002952300000000 ] - [ 0.0022178200000000, -0.0011995300000000, -0.0009601900000000 ] - [ 0.0056533800000000, -0.0061220000000000, -0.0015741800000000 ] - [ -0.0000180700000000, -0.0003164800000000, -0.0000480600000000 ] - [ -0.0001057700000000, 0.0003113100000000, -0.0000447200000000 ] - [ -0.0000026600000000, 0.0000399500000000, 0.0001028000000000 ] - [ 0.0065929800000000, 0.0026304900000000, 0.0059812400000000 ] - [ -0.0003988100000000, 0.0007249600000000, -0.0003408300000000 ] - [ -0.0001099600000000, -0.0000329800000000, 0.0001732500000000 ] - [ 0.0036179100000000, -0.0019405300000000, -0.0000027700000000 ] - [ -0.0001810200000000, 0.0006407900000000, -0.0003886700000000 ] - [ -0.0004164800000000, -0.0004996500000000, -0.0002935200000000 ] - [ -0.0005792400000000, 0.0027763600000000, -0.0018854200000000 ] - [ -0.0003862700000000, -0.0001796500000000, 0.0000901000000000 ] - [ -0.0004382800000000, 0.0000083200000000, 0.0016441400000000 ] - [ 0.0002477100000000, -0.0004088500000000, -0.0004946500000000 ] - [ -0.0002944800000000, 0.0001612000000000, -0.0000061200000000 ] - [ 0.0002458400000000, -0.0002533200000000, -0.0005191000000000 ] - [ 0.0005607200000000, -0.0008272400000000, -0.0036313000000000 ] - [ 0.0003675100000000, -0.0001375400000000, 0.0008590100000000 ] - [ -0.0006857200000000, 0.0004753400000000, -0.0000235000000000 ] - [ 0.0000542900000000, -0.0009489200000000, -0.0001048800000000 ] - [ 0.0013043400000000, -0.0001673200000000, 0.0002798700000000 ] - [ -0.0000347900000000, -0.0005071600000000, -0.0006295500000000 ] - [ -0.0002653600000000, 0.0000098900000000, 0.0007004400000000 ] - [ 0.0012945200000000, -0.0020070500000000, -0.0030020200000000 ] - [ -0.0004217700000000, 0.0002314100000000, -0.0003627300000000 ] - [ 0.0004831300000000, -0.0005636400000000, 0.0005607600000000 ] - [ -0.0000483600000000, 0.0001975700000000, 0.0011387200000000 ] - [ 0.0111346000000000, -0.0035270900000000, 0.0044273500000000 ] - [ 0.0008545800000000, 0.0009217200000000, 0.0003780700000000 ] - [ 0.0008079900000000, -0.0009502100000000, 0.0003589000000000 ] - [ -0.0032735400000000, 0.0030775400000000, 0.0000227100000000 ] - [ 0.0033557700000000, 0.0033974700000000, -0.0017934300000000 ] - [ 0.0002950400000000, -0.0002264700000000, -0.0006324000000000 ] - [ 0.0003030400000000, 0.0000844400000000, -0.0004299500000000 ] - [ -0.0088564700000000, -0.0012425200000000, 0.0043618400000000 ] - [ -0.0001404400000000, 0.0001450300000000, -0.0003641800000000 ] - [ -0.0011390500000000, -0.0003854500000000, 0.0000105100000000 ] - [ 0.0009320900000000, -0.0001970700000000, -0.0000109400000000 ] - [ 0.0009038800000000, 0.0001971000000000, 0.0003278800000000 ] - [ 0.0012779100000000, 0.0000149000000000, 0.0000139600000000 ] - [ 0.0004030100000000, -0.0001401300000000, 0.0006018500000000 ] - [ -0.0022810600000000, 0.0007102400000000, -0.0016068000000000 ] - [ 0.0004346000000000, -0.0000646600000000, -0.0000446300000000 ] - [ -0.0001225400000000, -0.0000985000000000, 0.0000772200000000 ] - [ -0.0029892000000000, -0.0009269500000000, 0.0003911400000000 ] - [ 0.0079810700000000, 0.0008733100000000, 0.0019458400000000 ] - [ 0.0002178300000000, 0.0005746300000000, -0.0000831200000000 ] - [ -0.0001826400000000, -0.0006983400000000, 0.0002136000000000 ] - [ -0.0004961200000000, -0.0037456100000000, -0.0001716000000000 ] - [ 0.0087459100000000, 0.0018847600000000, -0.0014028900000000 ] - [ -0.0002618200000000, 0.0007420700000000, 0.0003333000000000 ]- atom: 26 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003223600000000, -0.0020675000000000, -0.0010977800000000 ] - [ 0.0020996600000000, -0.0038283000000000, 0.0009263700000000 ] - [ 0.0008487100000000, -0.0001414700000000, 0.0004537000000000 ] - [ 0.0008005100000000, 0.0001223500000000, 0.0004017700000000 ] - [ -0.0611743000000000, -0.0199159100000000, -0.0286954800000000 ] - [ 0.0000110300000000, 0.0002611500000000, -0.0000816500000000 ] - [ -0.0010093500000000, 0.0022323100000000, 0.0002779100000000 ] - [ 0.0020274700000000, -0.0011503700000000, 0.0032223900000000 ] - [ 0.0000155100000000, -0.0002473200000000, -0.0000385400000000 ] - [ 0.0009838600000000, 0.0007937800000000, 0.0000957900000000 ] - [ -0.0002201700000000, 0.0006327400000000, 0.0002314900000000 ] - [ 0.0000290500000000, -0.0006129800000000, 0.0001978900000000 ] - [ 0.0004830500000000, -0.0022069400000000, 0.0047549000000000 ] - [ 0.0006097400000000, 0.0003458200000000, 0.0004224300000000 ] - [ -0.0009110000000000, -0.0006128200000000, 0.0002135700000000 ] - [ 0.0019505000000000, -0.0000934300000000, -0.0011446300000000 ] - [ -0.0004958900000000, -0.0004855600000000, 0.0001381800000000 ] - [ -0.0000213600000000, -0.0024479900000000, -0.0012923200000000 ] - [ -0.0034111900000000, 0.0029680600000000, -0.0003675100000000 ] - [ 0.0002548200000000, 0.0004138700000000, -0.0004792200000000 ] - [ -0.0052898400000000, -0.0301189400000000, -0.0191483800000000 ] - [ 0.0001258700000000, 0.0003325300000000, 0.0002092700000000 ] - [ 0.0000585800000000, -0.0004200200000000, -0.0012519200000000 ] - [ 0.0011973600000000, -0.0031236700000000, 0.0013676200000000 ] - [ 0.0000285900000000, -0.0003027900000000, 0.0002755300000000 ] - [ 0.0826541100000000, 0.0516575200000000, 0.0439770200000000 ] - [ 0.0002578900000000, 0.0004551000000000, -0.0001386700000000 ] - [ 0.0002396900000000, -0.0004293300000000, -0.0001683400000000 ] - [ -0.0023923800000000, 0.0008506300000000, -0.0005955700000000 ] - [ 0.0175976600000000, -0.0000902500000000, 0.0004582500000000 ] - [ -0.0000215400000000, 0.0000239800000000, -0.0002710400000000 ] - [ -0.0001140000000000, -0.0000151200000000, -0.0003626900000000 ] - [ -0.0020572200000000, 0.0012443200000000, 0.0003176600000000 ] - [ -0.0055898600000000, 0.0068285600000000, 0.0015340900000000 ] - [ -0.0000886500000000, -0.0003136600000000, -0.0000259700000000 ] - [ -0.0000003100000000, 0.0003184600000000, -0.0000291000000000 ] - [ -0.0001140300000000, 0.0000924900000000, 0.0001727000000000 ] - [ -0.0065399000000000, -0.0028216700000000, -0.0057796000000000 ] - [ 0.0005082200000000, -0.0005963300000000, 0.0006196100000000 ] - [ -0.0000042600000000, -0.0001000100000000, 0.0001035700000000 ] - [ -0.0029105200000000, 0.0007262400000000, -0.0006018300000000 ] - [ -0.0005076700000000, 0.0005830500000000, -0.0001816000000000 ] - [ -0.0002672800000000, -0.0007204300000000, -0.0002811900000000 ] - [ 0.0012458400000000, -0.0015684400000000, 0.0013210700000000 ] - [ -0.0001722700000000, 0.0001106000000000, -0.0001712400000000 ] - [ 0.0010164300000000, 0.0000601200000000, -0.0017259900000000 ] - [ 0.0002409500000000, -0.0003589100000000, -0.0004479100000000 ] - [ -0.0002560500000000, -0.0000913100000000, -0.0000677100000000 ] - [ -0.0010826500000000, -0.0007463500000000, 0.0004194500000000 ] - [ 0.0002865400000000, 0.0018484900000000, 0.0035920700000000 ] - [ 0.0004657400000000, -0.0008688600000000, -0.0009506100000000 ] - [ -0.0001483500000000, 0.0005287000000000, -0.0000725600000000 ] - [ -0.0003929000000000, 0.0006152100000000, 0.0001645300000000 ] - [ -0.0009711200000000, 0.0005079700000000, -0.0002280500000000 ] - [ 0.0003751000000000, 0.0001749800000000, 0.0007034100000000 ] - [ -0.0000777400000000, 0.0003192500000000, -0.0006520600000000 ] - [ -0.0016244300000000, 0.0008115500000000, 0.0035425900000000 ] - [ 0.0007414600000000, 0.0009615900000000, 0.0009102000000000 ] - [ -0.0001796200000000, -0.0006284100000000, -0.0000179900000000 ] - [ -0.0002531200000000, 0.0009895800000000, -0.0005968800000000 ] - [ -0.0127391000000000, 0.0016288400000000, -0.0036407700000000 ] - [ 0.0007813300000000, 0.0009681400000000, 0.0003716700000000 ] - [ 0.0008278800000000, -0.0009400200000000, 0.0003914500000000 ] - [ 0.0016497800000000, -0.0012074800000000, 0.0007265000000000 ] - [ -0.0040188300000000, -0.0030394400000000, 0.0006165600000000 ] - [ 0.0003062600000000, -0.0000898800000000, -0.0005245200000000 ] - [ 0.0002966600000000, 0.0002315700000000, -0.0007277900000000 ] - [ 0.0084769500000000, 0.0009763500000000, -0.0055451400000000 ] - [ 0.0005098200000000, -0.0001963600000000, 0.0000670800000000 ] - [ 0.0007766200000000, 0.0004391100000000, -0.0003287200000000 ] - [ -0.0013117900000000, 0.0001204400000000, -0.0002851100000000 ] - [ -0.0005343700000000, -0.0001510900000000, -0.0006374200000000 ] - [ -0.0022236400000000, 0.0003497500000000, 0.0007540400000000 ] - [ 0.0005216600000000, -0.0001969000000000, 0.0001667300000000 ] - [ 0.0014061300000000, -0.0010584300000000, 0.0023736100000000 ] - [ 0.0004837100000000, 0.0004041700000000, 0.0008151800000000 ] - [ 0.0001617200000000, -0.0004558200000000, 0.0000586700000000 ] - [ 0.0029563100000000, 0.0015002100000000, -0.0002440300000000 ] - [ -0.0080180900000000, -0.0014569400000000, -0.0018441800000000 ] - [ -0.0001800300000000, -0.0000210300000000, 0.0002273800000000 ] - [ -0.0002768800000000, -0.0007485400000000, 0.0002010200000000 ] - [ 0.0009677100000000, 0.0052399600000000, 0.0005809600000000 ] - [ -0.0091556100000000, -0.0036861900000000, 0.0022823800000000 ] - [ -0.0001967700000000, 0.0007036400000000, 0.0000834600000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001379200000000, 0.0008412300000000, -0.0001569900000000 ] - [ -0.0016146200000000, -0.0024628500000000, 0.0019960200000000 ] - [ 0.0008662700000000, -0.0002505100000000, -0.0002806300000000 ] - [ 0.0008578600000000, 0.0002135400000000, -0.0004325800000000 ] - [ 0.0178905700000000, 0.0846768500000000, 0.0583210600000000 ] - [ 0.0000679800000000, 0.0000601700000000, -0.0006753500000000 ] - [ 0.0018253300000000, -0.0058563500000000, 0.0039186000000000 ] - [ 0.0027848700000000, 0.0001636500000000, 0.0056094800000000 ] - [ 0.0000824700000000, -0.0000292700000000, -0.0007642100000000 ] - [ -0.0008832000000000, -0.0046004000000000, -0.0002793400000000 ] - [ -0.0003847000000000, 0.0005408900000000, -0.0002546300000000 ] - [ -0.0007362500000000, -0.0004283100000000, -0.0003577700000000 ] - [ -0.0014481900000000, 0.0057934700000000, -0.0001781700000000 ] - [ -0.0004033500000000, 0.0000274200000000, -0.0013274100000000 ] - [ -0.0023881600000000, -0.0046100300000000, 0.0009168800000000 ] - [ 0.0010561900000000, 0.0004554700000000, -0.0018938400000000 ] - [ 0.0012876500000000, 0.0015498200000000, -0.0004140200000000 ] - [ 0.0033422600000000, 0.0060106200000000, -0.0032790300000000 ] - [ -0.0061427100000000, 0.0053868000000000, -0.0035038800000000 ] - [ 0.0001892200000000, 0.0002450500000000, 0.0002838500000000 ] - [ 0.0303517900000000, 0.0349393700000000, 0.0311041100000000 ] - [ 0.0001331100000000, 0.0002614200000000, 0.0008202800000000 ] - [ 0.0000928800000000, 0.0011185900000000, -0.0016128200000000 ] - [ -0.0003136200000000, 0.0019989000000000, -0.0016274000000000 ] - [ 0.0000626800000000, -0.0004113100000000, 0.0006816800000000 ] - [ -0.0530269800000000, -0.1284337000000000, -0.1044949800000000 ] - [ 0.0002171100000000, 0.0001327200000000, 0.0006536300000000 ] - [ 0.0002426200000000, -0.0001831200000000, 0.0005243200000000 ] - [ 0.0001750300000000, 0.0031004300000000, -0.0020294500000000 ] - [ -0.0001975600000000, -0.0173348300000000, 0.0063058000000000 ] - [ -0.0001704400000000, -0.0000979800000000, 0.0004776900000000 ] - [ -0.0000438800000000, 0.0001189800000000, 0.0002229900000000 ] - [ 0.0015210400000000, 0.0021627500000000, 0.0002469000000000 ] - [ -0.0030987400000000, 0.0005644100000000, 0.0007414100000000 ] - [ -0.0000768700000000, -0.0002538300000000, 0.0004372000000000 ] - [ -0.0000918100000000, 0.0003200200000000, 0.0005626600000000 ] - [ 0.0000421900000000, 0.0001144500000000, 0.0008044300000000 ] - [ 0.0046995400000000, -0.0013782100000000, 0.0021773600000000 ] - [ -0.0009082400000000, 0.0049393500000000, -0.0009190000000000 ] - [ -0.0000881900000000, -0.0000901100000000, 0.0007689400000000 ] - [ 0.0006343400000000, -0.0037193500000000, -0.0023203400000000 ] - [ -0.0001313600000000, 0.0004932800000000, 0.0000397000000000 ] - [ -0.0003777200000000, -0.0005323800000000, 0.0001944900000000 ] - [ 0.0023443100000000, 0.0043806900000000, -0.0038566700000000 ] - [ -0.0000973000000000, -0.0004916100000000, 0.0009665000000000 ] - [ 0.0021501500000000, -0.0025253900000000, 0.0019039800000000 ] - [ 0.0002223000000000, -0.0003057300000000, 0.0002220100000000 ] - [ -0.0002488900000000, 0.0003336600000000, 0.0005711600000000 ] - [ -0.0007496000000000, -0.0011473900000000, 0.0010792800000000 ] - [ 0.0003603700000000, -0.0004835600000000, -0.0017354500000000 ] - [ 0.0005334500000000, 0.0003789300000000, 0.0008885000000000 ] - [ -0.0003462800000000, 0.0024606300000000, 0.0004964500000000 ] - [ 0.0002403400000000, -0.0006888100000000, 0.0008393100000000 ] - [ 0.0000028600000000, 0.0007267500000000, 0.0005316000000000 ] - [ 0.0027723800000000, 0.0045028100000000, 0.0066670500000000 ] - [ -0.0001817000000000, 0.0002691500000000, 0.0014899200000000 ] - [ -0.0032990900000000, -0.0026121600000000, 0.0024596700000000 ] - [ 0.0000027300000000, 0.0002270000000000, 0.0005207000000000 ] - [ 0.0006715600000000, -0.0003983300000000, 0.0010985700000000 ] - [ 0.0002458700000000, 0.0032509000000000, -0.0018507900000000 ] - [ 0.0014683600000000, -0.0037639700000000, -0.0005610700000000 ] - [ 0.0008005500000000, 0.0007678500000000, 0.0009309100000000 ] - [ 0.0007732700000000, -0.0007985200000000, 0.0008389600000000 ] - [ -0.0030849500000000, 0.0057844500000000, 0.0001708300000000 ] - [ 0.0041503100000000, -0.0050045300000000, 0.0053374500000000 ] - [ 0.0002901500000000, -0.0002476800000000, -0.0013734000000000 ] - [ 0.0002798900000000, 0.0001555900000000, -0.0012692300000000 ] - [ -0.0039491000000000, 0.0061362200000000, 0.0039185300000000 ] - [ -0.0000898900000000, 0.0000675900000000, 0.0002244600000000 ] - [ -0.0004835700000000, -0.0008936700000000, -0.0000582500000000 ] - [ 0.0002713700000000, 0.0008470500000000, -0.0000437800000000 ] - [ 0.0004370500000000, 0.0012882200000000, 0.0001808200000000 ] - [ 0.0010343200000000, -0.0009004500000000, -0.0020721300000000 ] - [ 0.0012304400000000, -0.0007620000000000, -0.0005160900000000 ] - [ -0.0027391800000000, 0.0024029900000000, -0.0023092800000000 ] - [ -0.0000849200000000, 0.0004066500000000, -0.0010298900000000 ] - [ -0.0001049600000000, -0.0003038200000000, -0.0012700200000000 ] - [ -0.0003388500000000, -0.0035802900000000, -0.0004549900000000 ] - [ -0.0013866600000000, 0.0053973100000000, -0.0040084400000000 ] - [ 0.0001723900000000, 0.0005615100000000, -0.0015278400000000 ] - [ -0.0003031300000000, -0.0009274100000000, -0.0009891600000000 ] - [ -0.0012138900000000, -0.0127178500000000, 0.0021082000000000 ] - [ 0.0024877500000000, 0.0117105800000000, 0.0014612000000000 ] - [ -0.0002745700000000, 0.0009395100000000, -0.0009872100000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002533200000000, -0.0016063500000000, -0.0002453600000000 ] - [ -0.0000569200000000, 0.0027729500000000, -0.0011577600000000 ] - [ 0.0007856900000000, -0.0000289200000000, 0.0011473900000000 ] - [ 0.0007931700000000, 0.0000642600000000, 0.0012997100000000 ] - [ -0.0185425500000000, -0.0841903100000000, -0.0544394300000000 ] - [ -0.0000496000000000, 0.0004615800000000, 0.0005492500000000 ] - [ -0.0018515200000000, 0.0053575400000000, -0.0041189100000000 ] - [ -0.0028384900000000, 0.0002810700000000, -0.0057924900000000 ] - [ -0.0000631300000000, -0.0004904100000000, 0.0006384800000000 ] - [ 0.0012221700000000, 0.0035603500000000, 0.0007363900000000 ] - [ 0.0000450100000000, 0.0005227500000000, 0.0007029400000000 ] - [ 0.0004011800000000, -0.0006396200000000, 0.0008119700000000 ] - [ 0.0017841000000000, -0.0047603800000000, 0.0006099400000000 ] - [ 0.0008084000000000, 0.0007593400000000, 0.0009035300000000 ] - [ 0.0019944500000000, 0.0038773800000000, -0.0013278400000000 ] - [ -0.0014558700000000, 0.0003109500000000, 0.0014805200000000 ] - [ -0.0007353000000000, -0.0016272100000000, 0.0003358600000000 ] - [ -0.0038969400000000, -0.0052879200000000, 0.0023849500000000 ] - [ 0.0057388700000000, -0.0061899100000000, 0.0025960600000000 ] - [ 0.0003028600000000, 0.0005277000000000, -0.0012347500000000 ] - [ -0.0297571700000000, -0.0352685900000000, -0.0307029400000000 ] - [ -0.0000033800000000, 0.0003157100000000, -0.0003359700000000 ] - [ -0.0002200900000000, -0.0016800200000000, 0.0021273700000000 ] - [ 0.0001781700000000, -0.0013979700000000, 0.0021514100000000 ] - [ 0.0000675500000000, -0.0001676000000000, -0.0001964900000000 ] - [ 0.0512197900000000, 0.1271515600000000, 0.1017200400000000 ] - [ 0.0002723300000000, 0.0007363900000000, -0.0009826700000000 ] - [ 0.0002465300000000, -0.0006840300000000, -0.0008522300000000 ] - [ -0.0006640700000000, -0.0022585000000000, 0.0017286900000000 ] - [ 0.0004242300000000, 0.0171787300000000, -0.0074222700000000 ] - [ -0.0000073400000000, 0.0001439500000000, -0.0011417700000000 ] - [ -0.0001357000000000, -0.0001623900000000, -0.0008871000000000 ] - [ -0.0013244500000000, -0.0021247000000000, -0.0008877000000000 ] - [ 0.0032153100000000, 0.0000216500000000, -0.0007968100000000 ] - [ -0.0000325500000000, -0.0003698200000000, -0.0005176400000000 ] - [ -0.0000177300000000, 0.0003063700000000, -0.0006444300000000 ] - [ -0.0001608500000000, 0.0000178500000000, -0.0005371900000000 ] - [ -0.0046342800000000, 0.0012682800000000, -0.0018996400000000 ] - [ 0.0010476800000000, -0.0048442100000000, 0.0012042000000000 ] - [ -0.0000286400000000, -0.0000427900000000, -0.0004992600000000 ] - [ 0.0000363200000000, 0.0025112200000000, 0.0017662700000000 ] - [ -0.0005490500000000, 0.0007227800000000, -0.0006154700000000 ] - [ -0.0003011000000000, -0.0006752000000000, -0.0007725600000000 ] - [ -0.0016579700000000, -0.0031904800000000, 0.0032750100000000 ] - [ -0.0004610200000000, 0.0004239800000000, -0.0010522200000000 ] - [ -0.0016091500000000, 0.0026316500000000, -0.0019746800000000 ] - [ 0.0002689700000000, -0.0004685300000000, -0.0011723800000000 ] - [ -0.0003010500000000, -0.0002653100000000, -0.0006494200000000 ] - [ -0.0000860900000000, 0.0001516600000000, -0.0011825300000000 ] - [ 0.0004867700000000, 0.0014898300000000, 0.0016300900000000 ] - [ 0.0002983200000000, -0.0013813300000000, -0.0009713600000000 ] - [ -0.0004869400000000, -0.0014822600000000, -0.0006083400000000 ] - [ -0.0005791500000000, 0.0003437700000000, -0.0007921400000000 ] - [ 0.0003355300000000, -0.0003809300000000, -0.0004797400000000 ] - [ -0.0024574300000000, -0.0048857600000000, -0.0067066500000000 ] - [ -0.0001660600000000, 0.0000511100000000, -0.0014456300000000 ] - [ 0.0029946600000000, 0.0014638600000000, -0.0018995100000000 ] - [ 0.0003142100000000, 0.0009572000000000, 0.0000136200000000 ] - [ -0.0003586900000000, -0.0007896600000000, -0.0005518300000000 ] - [ -0.0005717800000000, -0.0020732300000000, 0.0023894100000000 ] - [ -0.0031309000000000, 0.0019044500000000, 0.0013124900000000 ] - [ 0.0008344300000000, 0.0011304400000000, -0.0001867700000000 ] - [ 0.0008632100000000, -0.0011002000000000, -0.0000944200000000 ] - [ 0.0014521300000000, -0.0039021800000000, 0.0006048800000000 ] - [ -0.0047986300000000, 0.0055185100000000, -0.0065404100000000 ] - [ 0.0003110400000000, -0.0000703900000000, 0.0002245600000000 ] - [ 0.0003204100000000, 0.0001599500000000, 0.0001230200000000 ] - [ 0.0034221800000000, -0.0064282300000000, -0.0051233300000000 ] - [ 0.0004598700000000, -0.0001068800000000, -0.0005284800000000 ] - [ 0.0001148700000000, 0.0009350800000000, -0.0002563400000000 ] - [ -0.0006378400000000, -0.0009337600000000, -0.0002507600000000 ] - [ -0.0000700300000000, -0.0012394900000000, -0.0004928400000000 ] - [ -0.0019689500000000, 0.0012815900000000, 0.0028423900000000 ] - [ -0.0003170800000000, 0.0004241600000000, 0.0013016600000000 ] - [ 0.0018478400000000, -0.0027248300000000, 0.0030888000000000 ] - [ 0.0010135600000000, -0.0000748200000000, 0.0018147600000000 ] - [ 0.0001398900000000, -0.0002443700000000, 0.0014244500000000 ] - [ 0.0003091900000000, 0.0041372400000000, 0.0005968200000000 ] - [ 0.0013525100000000, -0.0065589700000000, 0.0037080000000000 ] - [ -0.0001337700000000, -0.0000037700000000, 0.0016900700000000 ] - [ -0.0001570500000000, -0.0005125700000000, 0.0014194700000000 ] - [ 0.0016721100000000, 0.0141745600000000, -0.0017315300000000 ] - [ -0.0021856300000000, -0.0132368900000000, -0.0010668900000000 ] - [ -0.0001868900000000, 0.0005022600000000, 0.0014124400000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008905100000000, -0.0008868100000000, -0.0030330700000000 ] - [ -0.0009350100000000, -0.0021355600000000, 0.0042160200000000 ] - [ 0.0008266700000000, -0.0003055100000000, -0.0019410500000000 ] - [ 0.0008018400000000, 0.0002653400000000, -0.0022580100000000 ] - [ 0.0327380000000000, 0.0643774300000000, 0.1735531100000000 ] - [ 0.0000014900000000, 0.0000794000000000, -0.0026105600000000 ] - [ 0.0002942300000000, -0.0010718200000000, 0.0055631200000000 ] - [ 0.0003593400000000, 0.0052801500000000, 0.0067480600000000 ] - [ 0.0000336000000000, -0.0000090900000000, -0.0027866700000000 ] - [ 0.0010366400000000, 0.0017018800000000, 0.0007427300000000 ] - [ -0.0007923900000000, 0.0010989900000000, -0.0010983800000000 ] - [ -0.0015662800000000, -0.0004632000000000, -0.0019191400000000 ] - [ -0.0047703000000000, 0.0011511500000000, -0.0008261800000000 ] - [ -0.0010449400000000, -0.0011576900000000, -0.0012672700000000 ] - [ -0.0012575500000000, -0.0038383800000000, -0.0005088300000000 ] - [ 0.0023350000000000, 0.0001379800000000, -0.0037539400000000 ] - [ -0.0004897000000000, -0.0009349600000000, 0.0003359900000000 ] - [ 0.0012864900000000, 0.0016410300000000, -0.0073110000000000 ] - [ -0.0025613500000000, 0.0001693800000000, -0.0077699300000000 ] - [ 0.0000676300000000, 0.0000920700000000, 0.0022445600000000 ] - [ 0.0168467500000000, 0.0262037900000000, 0.0001600500000000 ] - [ 0.0003577700000000, 0.0003341700000000, 0.0027070900000000 ] - [ 0.0012503500000000, -0.0015253000000000, -0.0023754700000000 ] - [ -0.0000973000000000, -0.0018791600000000, -0.0024997700000000 ] - [ 0.0001181900000000, -0.0006947400000000, 0.0025127600000000 ] - [ -0.0464681900000000, -0.1066707200000000, -0.2760314400000000 ] - [ 0.0002643900000000, -0.0003856300000000, 0.0023929000000000 ] - [ 0.0002345900000000, 0.0002557300000000, 0.0020757100000000 ] - [ 0.0001987800000000, 0.0023076500000000, -0.0046922500000000 ] - [ -0.0030427500000000, 0.0069228700000000, 0.0668147400000000 ] - [ -0.0001561100000000, 0.0002986400000000, 0.0021794100000000 ] - [ 0.0000207800000000, -0.0000999000000000, 0.0017195300000000 ] - [ 0.0007562300000000, 0.0009690700000000, -0.0020895100000000 ] - [ -0.0016702700000000, 0.0029926200000000, -0.0038230000000000 ] - [ -0.0000764400000000, -0.0002134100000000, 0.0014729700000000 ] - [ -0.0000883000000000, 0.0003203000000000, 0.0016360500000000 ] - [ 0.0001906600000000, 0.0004326400000000, 0.0024700300000000 ] - [ 0.0074851500000000, 0.0030555700000000, -0.0013143800000000 ] - [ -0.0019135400000000, 0.0018957800000000, -0.0031998900000000 ] - [ -0.0000610200000000, -0.0003356100000000, 0.0020848100000000 ] - [ 0.0018877700000000, -0.0024990300000000, 0.0000118900000000 ] - [ -0.0000407500000000, 0.0001388200000000, 0.0011166500000000 ] - [ -0.0003993300000000, -0.0011034900000000, 0.0015014700000000 ] - [ -0.0011595900000000, -0.0036350300000000, 0.0003608300000000 ] - [ 0.0009490800000000, -0.0004404900000000, 0.0028986500000000 ] - [ 0.0041691600000000, 0.0003227800000000, 0.0042218500000000 ] - [ 0.0002312900000000, -0.0000035600000000, 0.0021048800000000 ] - [ -0.0001336300000000, 0.0002968900000000, 0.0016736800000000 ] - [ -0.0007977000000000, -0.0010891600000000, 0.0030560900000000 ] - [ -0.0008409000000000, -0.0000824600000000, 0.0015413300000000 ] - [ 0.0010003900000000, -0.0001126800000000, -0.0000298100000000 ] - [ -0.0002517000000000, 0.0019092300000000, 0.0020531900000000 ] - [ -0.0002858000000000, 0.0007669400000000, 0.0021122400000000 ] - [ -0.0006320100000000, 0.0017015400000000, 0.0009301000000000 ] - [ 0.0019118600000000, 0.0033235400000000, 0.0063280900000000 ] - [ 0.0004645500000000, 0.0019863700000000, 0.0028388500000000 ] - [ -0.0050808600000000, -0.0003708900000000, 0.0048421200000000 ] - [ 0.0002971100000000, 0.0004799500000000, 0.0031785800000000 ] - [ 0.0011134900000000, -0.0000505200000000, 0.0019600800000000 ] - [ 0.0007909200000000, 0.0009455400000000, -0.0001352600000000 ] - [ -0.0026124000000000, -0.0026427200000000, -0.0035138000000000 ] - [ 0.0007877700000000, 0.0007655100000000, 0.0021053400000000 ] - [ 0.0007764500000000, -0.0008272600000000, 0.0018825200000000 ] - [ -0.0018727800000000, 0.0023015100000000, -0.0027228800000000 ] - [ -0.0015098700000000, 0.0048253600000000, 0.0063040700000000 ] - [ 0.0002083600000000, -0.0001124300000000, -0.0030131700000000 ] - [ 0.0003144500000000, 0.0003712500000000, -0.0032863700000000 ] - [ 0.0034668700000000, 0.0030077000000000, 0.0076670800000000 ] - [ -0.0001245500000000, 0.0007298600000000, -0.0022022900000000 ] - [ -0.0001270400000000, 0.0005364600000000, -0.0007815300000000 ] - [ -0.0000992100000000, 0.0049125900000000, -0.0040560700000000 ] - [ 0.0008000300000000, 0.0013241700000000, -0.0041616800000000 ] - [ 0.0020991000000000, -0.0045202500000000, -0.0009413000000000 ] - [ 0.0010963800000000, -0.0006959300000000, -0.0021538400000000 ] - [ -0.0053080600000000, -0.0009090700000000, -0.0020794800000000 ] - [ -0.0000714600000000, -0.0001699500000000, -0.0030354700000000 ] - [ 0.0000769800000000, -0.0008717200000000, -0.0039665700000000 ] - [ -0.0003192600000000, -0.0023224600000000, 0.0045042400000000 ] - [ -0.0010580500000000, -0.0027069400000000, 0.0046386900000000 ] - [ -0.0002214300000000, 0.0000174000000000, -0.0050913600000000 ] - [ -0.0003151300000000, -0.0008793200000000, -0.0035925800000000 ] - [ -0.0009092700000000, -0.0056861500000000, 0.0055119400000000 ] - [ 0.0006274200000000, 0.0007766200000000, 0.0248264700000000 ] - [ -0.0003023100000000, 0.0009153400000000, -0.0039273500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004645100000000, 0.0001331100000000, 0.0026139200000000 ] - [ -0.0007297100000000, 0.0024475500000000, -0.0033661600000000 ] - [ 0.0008248900000000, 0.0000272000000000, 0.0027993500000000 ] - [ 0.0008504800000000, 0.0000150600000000, 0.0031177600000000 ] - [ -0.0306269100000000, -0.0581999800000000, -0.1630826800000000 ] - [ 0.0000184200000000, 0.0004389900000000, 0.0024770900000000 ] - [ -0.0003122700000000, 0.0005423600000000, -0.0056867400000000 ] - [ -0.0003533700000000, -0.0047973900000000, -0.0068517300000000 ] - [ -0.0000145800000000, -0.0005103300000000, 0.0026538100000000 ] - [ -0.0006938400000000, -0.0027661400000000, -0.0002981300000000 ] - [ 0.0004533300000000, -0.0000311700000000, 0.0015481100000000 ] - [ 0.0012218600000000, -0.0005989900000000, 0.0023646700000000 ] - [ 0.0051794100000000, -0.0000786200000000, 0.0012504000000000 ] - [ 0.0014455800000000, 0.0019180500000000, 0.0008599200000000 ] - [ 0.0008689800000000, 0.0030808900000000, 0.0000868500000000 ] - [ -0.0027475900000000, 0.0006379400000000, 0.0033459900000000 ] - [ 0.0010434500000000, 0.0008671200000000, -0.0004018300000000 ] - [ -0.0017594500000000, -0.0008354300000000, 0.0063954000000000 ] - [ 0.0020407200000000, -0.0009029000000000, 0.0068570100000000 ] - [ 0.0004235000000000, 0.0006813900000000, -0.0031859600000000 ] - [ -0.0167385700000000, -0.0268579900000000, -0.0004637300000000 ] - [ -0.0002278400000000, 0.0002468800000000, -0.0022157400000000 ] - [ -0.0013772900000000, 0.0009510900000000, 0.0028504800000000 ] - [ -0.0000404900000000, 0.0024712500000000, 0.0029745400000000 ] - [ 0.0000130700000000, 0.0001177700000000, -0.0020206600000000 ] - [ 0.0425073800000000, 0.0996550500000000, 0.2650002100000000 ] - [ 0.0002248200000000, 0.0012505300000000, -0.0027124400000000 ] - [ 0.0002545600000000, -0.0011207400000000, -0.0023948500000000 ] - [ -0.0006802500000000, -0.0014506100000000, 0.0043892700000000 ] - [ 0.0031830300000000, -0.0067918800000000, -0.0659386600000000 ] - [ -0.0000218600000000, -0.0002555400000000, -0.0028364600000000 ] - [ -0.0001996800000000, 0.0000547700000000, -0.0023737200000000 ] - [ -0.0005767300000000, -0.0009387800000000, 0.0014217900000000 ] - [ 0.0018212800000000, -0.0024130200000000, 0.0037315800000000 ] - [ -0.0000332300000000, -0.0004123300000000, -0.0015472600000000 ] - [ -0.0000212600000000, 0.0003031000000000, -0.0017110400000000 ] - [ -0.0003068200000000, -0.0002996600000000, -0.0021925900000000 ] - [ -0.0074256100000000, -0.0032124300000000, 0.0016281400000000 ] - [ 0.0020503600000000, -0.0017861700000000, 0.0035030500000000 ] - [ -0.0000567700000000, 0.0002032600000000, -0.0018092100000000 ] - [ -0.0012275100000000, 0.0013004800000000, -0.0005673700000000 ] - [ -0.0006359800000000, 0.0010686300000000, -0.0016903800000000 ] - [ -0.0002806200000000, -0.0001108100000000, -0.0020712800000000 ] - [ 0.0018454700000000, 0.0048695800000000, -0.0009300400000000 ] - [ -0.0014916400000000, 0.0003678400000000, -0.0029670400000000 ] - [ -0.0036720600000000, -0.0002610900000000, -0.0043448400000000 ] - [ 0.0002603000000000, -0.0007675200000000, -0.0030459900000000 ] - [ -0.0004198400000000, -0.0002240000000000, -0.0017500400000000 ] - [ -0.0000355300000000, 0.0000901600000000, -0.0031571000000000 ] - [ 0.0016608100000000, 0.0010619300000000, -0.0016747400000000 ] - [ -0.0001617900000000, -0.0008849200000000, -0.0000802100000000 ] - [ -0.0005857400000000, -0.0009085200000000, -0.0021448600000000 ] - [ -0.0000608100000000, -0.0011057100000000, -0.0020576900000000 ] - [ 0.0009812100000000, -0.0013765500000000, -0.0008670300000000 ] - [ -0.0015764100000000, -0.0036625800000000, -0.0062970900000000 ] - [ -0.0007988900000000, -0.0016330300000000, -0.0027843000000000 ] - [ 0.0048136700000000, -0.0008165100000000, -0.0043288100000000 ] - [ 0.0000074900000000, 0.0006981800000000, -0.0026243100000000 ] - [ -0.0007970000000000, -0.0011288700000000, -0.0014141900000000 ] - [ -0.0011151000000000, 0.0002300000000000, 0.0007048100000000 ] - [ 0.0009556800000000, 0.0007611900000000, 0.0042523100000000 ] - [ 0.0008479300000000, 0.0011319500000000, -0.0013555400000000 ] - [ 0.0008592300000000, -0.0010694500000000, -0.0011311200000000 ] - [ 0.0002340000000000, -0.0004020800000000, 0.0034707100000000 ] - [ 0.0008999600000000, -0.0044524200000000, -0.0075300000000000 ] - [ 0.0003918200000000, -0.0002039800000000, 0.0018586600000000 ] - [ 0.0002873700000000, -0.0000522000000000, 0.0021312600000000 ] - [ -0.0040247600000000, -0.0033180200000000, -0.0088964300000000 ] - [ 0.0004925100000000, -0.0007809600000000, 0.0018897000000000 ] - [ -0.0002411800000000, -0.0004890800000000, 0.0004912800000000 ] - [ -0.0002647100000000, -0.0049213300000000, 0.0037489600000000 ] - [ -0.0004371400000000, -0.0012897000000000, 0.0038658900000000 ] - [ -0.0030124300000000, 0.0048319600000000, 0.0017348000000000 ] - [ -0.0001760900000000, 0.0003605200000000, 0.0029254900000000 ] - [ 0.0043573100000000, 0.0005591500000000, 0.0028793400000000 ] - [ 0.0009967600000000, 0.0005146200000000, 0.0038112200000000 ] - [ -0.0000395300000000, 0.0003148400000000, 0.0041105700000000 ] - [ 0.0002794300000000, 0.0028819000000000, -0.0044099000000000 ] - [ 0.0010355400000000, 0.0017296300000000, -0.0048429800000000 ] - [ 0.0002556100000000, 0.0005321200000000, 0.0052265400000000 ] - [ -0.0001462200000000, -0.0005631400000000, 0.0040055600000000 ] - [ 0.0013730100000000, 0.0071436500000000, -0.0051075700000000 ] - [ -0.0004916200000000, -0.0023357700000000, -0.0241590600000000 ] - [ -0.0001589400000000, 0.0005266400000000, 0.0043430800000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004755800000000, 0.0034943300000000, 0.0048346700000000 ] - [ -0.0044276300000000, 0.0049841700000000, 0.0016004600000000 ] - [ 0.0008060500000000, -0.0001308900000000, 0.0005134600000000 ] - [ 0.0008664900000000, 0.0001791300000000, 0.0004294300000000 ] - [ 0.0666918000000000, 0.0211162200000000, -0.0434994700000000 ] - [ 0.0000147300000000, 0.0002349500000000, -0.0000314300000000 ] - [ 0.0011261300000000, -0.0029403000000000, -0.0002987700000000 ] - [ -0.0020746300000000, 0.0010223300000000, 0.0030606600000000 ] - [ 0.0000104300000000, -0.0002562500000000, 0.0000050500000000 ] - [ -0.0004078000000000, -0.0011081000000000, 0.0007502200000000 ] - [ 0.0005552800000000, 0.0006021600000000, 0.0006835900000000 ] - [ -0.0020728600000000, 0.0001414000000000, -0.0003642400000000 ] - [ 0.0009057100000000, 0.0022447700000000, -0.0004513900000000 ] - [ -0.0006417800000000, -0.0008400300000000, -0.0004878100000000 ] - [ -0.0000973900000000, -0.0004449000000000, -0.0002234500000000 ] - [ -0.0004247400000000, 0.0005047700000000, -0.0002004400000000 ] - [ 0.0007251200000000, 0.0002383900000000, -0.0002223400000000 ] - [ -0.0017770700000000, 0.0034917900000000, 0.0014019400000000 ] - [ -0.0001886600000000, -0.0003448600000000, -0.0019912600000000 ] - [ 0.0001644600000000, 0.0003452100000000, -0.0005689300000000 ] - [ 0.0076575800000000, 0.0310425000000000, -0.0238370300000000 ] - [ 0.0000398000000000, 0.0002690900000000, 0.0001757100000000 ] - [ 0.0024251300000000, -0.0025983600000000, -0.0001115100000000 ] - [ -0.0006367000000000, 0.0035859200000000, -0.0002750700000000 ] - [ 0.0000749900000000, -0.0002884800000000, 0.0001987300000000 ] - [ -0.0177403400000000, -0.0007142100000000, -0.0030536400000000 ] - [ 0.0001767300000000, 0.0003504400000000, -0.0000898100000000 ] - [ 0.0002700700000000, -0.0004772600000000, -0.0002669400000000 ] - [ 0.0018848400000000, -0.0009862800000000, 0.0005007500000000 ] - [ -0.0970868300000000, -0.0580373600000000, 0.0634830800000000 ] - [ -0.0000988200000000, -0.0000094500000000, -0.0003440800000000 ] - [ -0.0000933700000000, -0.0000039400000000, -0.0003876300000000 ] - [ 0.0030381000000000, -0.0003243900000000, -0.0011340300000000 ] - [ 0.0069810500000000, -0.0070250400000000, 0.0026107300000000 ] - [ -0.0000139400000000, -0.0003251100000000, -0.0000746600000000 ] - [ -0.0001130800000000, 0.0002966100000000, -0.0000652600000000 ] - [ 0.0005845200000000, 0.0002925500000000, 0.0004636600000000 ] - [ 0.0000503200000000, -0.0009998300000000, 0.0033289800000000 ] - [ 0.0000382500000000, 0.0007256800000000, -0.0004825400000000 ] - [ -0.0003840200000000, 0.0001260300000000, 0.0000463800000000 ] - [ 0.0004963400000000, -0.0012978500000000, -0.0002310000000000 ] - [ 0.0006014400000000, 0.0003075900000000, -0.0005556600000000 ] - [ -0.0007127000000000, -0.0007691000000000, -0.0001307700000000 ] - [ 0.0003345800000000, 0.0008818800000000, -0.0013767300000000 ] - [ 0.0004484000000000, -0.0011257800000000, 0.0026328400000000 ] - [ -0.0004116100000000, -0.0003120700000000, 0.0003238800000000 ] - [ 0.0002917900000000, -0.0003892500000000, -0.0005037900000000 ] - [ -0.0001752900000000, -0.0003174700000000, -0.0011732000000000 ] - [ -0.0003651800000000, -0.0005541800000000, -0.0000575100000000 ] - [ 0.0074579700000000, 0.0021488400000000, -0.0071139200000000 ] - [ -0.0000358300000000, -0.0000465100000000, 0.0005215400000000 ] - [ -0.0004954000000000, 0.0005520300000000, -0.0001181400000000 ] - [ 0.0030272800000000, -0.0015127600000000, 0.0001786000000000 ] - [ 0.0003624100000000, 0.0001730900000000, 0.0001823400000000 ] - [ 0.0000664800000000, -0.0001090300000000, -0.0000027900000000 ] - [ -0.0013424800000000, 0.0021602700000000, 0.0022760900000000 ] - [ -0.0002984900000000, -0.0008323900000000, 0.0001466000000000 ] - [ -0.0009369200000000, -0.0000400100000000, -0.0014600100000000 ] - [ 0.0009539900000000, -0.0002855400000000, 0.0006699600000000 ] - [ -0.0002021900000000, 0.0008593600000000, 0.0003346000000000 ] - [ 0.0117054600000000, -0.0040801100000000, -0.0032129700000000 ] - [ 0.0008419000000000, 0.0009154300000000, 0.0003349000000000 ] - [ 0.0008075500000000, -0.0009369000000000, 0.0003536000000000 ] - [ -0.0035244500000000, 0.0031524300000000, 0.0010079100000000 ] - [ 0.0022284900000000, -0.0002172700000000, -0.0003207900000000 ] - [ 0.0002971600000000, -0.0001788500000000, -0.0006967000000000 ] - [ 0.0002747500000000, -0.0000100900000000, -0.0000940500000000 ] - [ -0.0030633300000000, 0.0010109800000000, 0.0012406000000000 ] - [ 0.0000960700000000, 0.0000262700000000, -0.0000742800000000 ] - [ -0.0020112500000000, -0.0007571800000000, -0.0002117400000000 ] - [ 0.0047606300000000, 0.0009914800000000, -0.0012370000000000 ] - [ 0.0002781100000000, 0.0002133100000000, 0.0001029900000000 ] - [ 0.0034000500000000, 0.0025236300000000, 0.0019164000000000 ] - [ 0.0004425700000000, -0.0002399700000000, 0.0004860800000000 ] - [ -0.0073077200000000, -0.0001708500000000, -0.0049160400000000 ] - [ 0.0004809000000000, 0.0001301500000000, 0.0003038500000000 ] - [ -0.0005417800000000, -0.0000716700000000, 0.0004245600000000 ] - [ -0.0015525800000000, -0.0004842400000000, -0.0005058600000000 ] - [ 0.0016941700000000, 0.0001948000000000, -0.0000560400000000 ] - [ 0.0011613700000000, 0.0006144000000000, -0.0006797500000000 ] - [ -0.0001857900000000, -0.0007167100000000, 0.0003025700000000 ] - [ -0.0006399500000000, -0.0047912300000000, -0.0003722400000000 ] - [ 0.0142869100000000, 0.0051968500000000, 0.0055392100000000 ] - [ -0.0002773200000000, 0.0007608300000000, 0.0001961100000000 ]- atom: 30 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001139000000000, -0.0042705300000000, -0.0052875600000000 ] - [ 0.0027963100000000, -0.0047275400000000, -0.0007278500000000 ] - [ 0.0008465100000000, -0.0001525100000000, 0.0003523000000000 ] - [ 0.0007860300000000, 0.0001047700000000, 0.0004366500000000 ] - [ -0.0687151600000000, -0.0209792800000000, 0.0433822400000000 ] - [ 0.0000024800000000, 0.0002811900000000, -0.0000864000000000 ] - [ -0.0011564500000000, 0.0024499800000000, 0.0001871300000000 ] - [ 0.0020820700000000, -0.0004636400000000, -0.0031548000000000 ] - [ 0.0000069800000000, -0.0002600900000000, -0.0001235600000000 ] - [ 0.0007629800000000, 0.0000275100000000, -0.0003255500000000 ] - [ -0.0009070800000000, 0.0004884300000000, -0.0002606300000000 ] - [ 0.0017261100000000, -0.0012349700000000, 0.0007818900000000 ] - [ -0.0005756200000000, -0.0011732900000000, 0.0008833700000000 ] - [ 0.0010478000000000, 0.0016141900000000, 0.0000656100000000 ] - [ -0.0003023500000000, -0.0003226400000000, -0.0001956400000000 ] - [ 0.0000360600000000, 0.0002543400000000, -0.0002252200000000 ] - [ -0.0001988100000000, -0.0003241500000000, 0.0001641500000000 ] - [ 0.0013196500000000, -0.0027534600000000, -0.0023821500000000 ] - [ -0.0003231700000000, -0.0004323300000000, 0.0010260700000000 ] - [ 0.0003292300000000, 0.0004277700000000, -0.0003788700000000 ] - [ -0.0077606000000000, -0.0314980600000000, 0.0236339800000000 ] - [ 0.0000838600000000, 0.0002953600000000, 0.0003024000000000 ] - [ -0.0025499000000000, 0.0019986900000000, 0.0005826300000000 ] - [ 0.0005323600000000, -0.0030538500000000, 0.0007591400000000 ] - [ 0.0000476800000000, -0.0002764000000000, 0.0002787200000000 ] - [ 0.0172398500000000, -0.0000906100000000, 0.0031624000000000 ] - [ 0.0003113300000000, 0.0005112000000000, -0.0002331400000000 ] - [ 0.0002189500000000, -0.0003833300000000, -0.0000557100000000 ] - [ -0.0023890300000000, 0.0018568200000000, -0.0008404800000000 ] - [ 0.0987168300000000, 0.0578579700000000, -0.0629582200000000 ] - [ -0.0000864900000000, 0.0000407600000000, -0.0003168200000000 ] - [ -0.0000913100000000, -0.0000277600000000, -0.0002732800000000 ] - [ -0.0028630600000000, 0.0003646700000000, 0.0004662300000000 ] - [ -0.0069202500000000, 0.0077332700000000, -0.0027276500000000 ] - [ -0.0000978900000000, -0.0003032500000000, 0.0000040600000000 ] - [ 0.0000017700000000, 0.0003312000000000, -0.0000056900000000 ] - [ -0.0006930100000000, -0.0001463400000000, -0.0001688200000000 ] - [ 0.0000698300000000, 0.0008699300000000, -0.0030882700000000 ] - [ 0.0000642400000000, -0.0005836600000000, 0.0007671000000000 ] - [ 0.0002785000000000, -0.0002703000000000, 0.0002443500000000 ] - [ 0.0001984300000000, 0.0000629300000000, -0.0003363200000000 ] - [ -0.0012994900000000, 0.0009296000000000, -0.0000046800000000 ] - [ 0.0000212000000000, -0.0004688300000000, -0.0004399400000000 ] - [ 0.0003546100000000, 0.0003444200000000, 0.0008177200000000 ] - [ -0.0009961000000000, 0.0010438800000000, -0.0026854300000000 ] - [ 0.0009590700000000, 0.0003978100000000, -0.0003807000000000 ] - [ 0.0001996500000000, -0.0003837200000000, -0.0004439800000000 ] - [ -0.0003530700000000, 0.0003955500000000, 0.0011123000000000 ] - [ -0.0004690900000000, -0.0004527000000000, -0.0000283200000000 ] - [ -0.0066902800000000, -0.0011888800000000, 0.0071150000000000 ] - [ 0.0008645800000000, -0.0009680400000000, -0.0006130500000000 ] - [ -0.0003363400000000, 0.0004563000000000, 0.0000305400000000 ] - [ -0.0033270900000000, 0.0011705400000000, -0.0000905000000000 ] - [ -0.0000371900000000, 0.0001893600000000, -0.0001278600000000 ] - [ 0.0002664400000000, -0.0002442300000000, 0.0000680900000000 ] - [ 0.0009878600000000, -0.0018218900000000, -0.0022388900000000 ] - [ -0.0000208500000000, -0.0003461500000000, 0.0004127300000000 ] - [ 0.0012682800000000, 0.0012232400000000, 0.0020205100000000 ] - [ -0.0006548800000000, -0.0009023700000000, -0.0001233300000000 ] - [ -0.0001041300000000, 0.0003202700000000, 0.0002121600000000 ] - [ -0.0133397000000000, 0.0021669200000000, 0.0039341200000000 ] - [ 0.0008059200000000, 0.0009915200000000, 0.0004205500000000 ] - [ 0.0008406600000000, -0.0009709700000000, 0.0004018000000000 ] - [ 0.0018904600000000, -0.0012692400000000, -0.0002552100000000 ] - [ -0.0028529300000000, 0.0005612700000000, -0.0008423100000000 ] - [ 0.0003040900000000, -0.0001346500000000, -0.0004673300000000 ] - [ 0.0003222600000000, 0.0003267500000000, -0.0010733100000000 ] - [ 0.0025124500000000, -0.0013344200000000, -0.0024004000000000 ] - [ 0.0002727500000000, -0.0000734600000000, -0.0002345000000000 ] - [ 0.0016484100000000, 0.0008192100000000, -0.0001029200000000 ] - [ -0.0051325800000000, -0.0010690900000000, 0.0009538800000000 ] - [ 0.0000906500000000, -0.0001640600000000, -0.0004181900000000 ] - [ -0.0043934400000000, -0.0021093200000000, -0.0011158600000000 ] - [ 0.0004801100000000, -0.0000991800000000, 0.0002797400000000 ] - [ 0.0067157900000000, -0.0001048200000000, 0.0057537900000000 ] - [ 0.0004394700000000, 0.0002083700000000, 0.0004623300000000 ] - [ 0.0005815000000000, -0.0004911300000000, -0.0003046200000000 ] - [ 0.0015251300000000, 0.0010469000000000, 0.0006602300000000 ] - [ -0.0017488800000000, -0.0008125200000000, 0.0001599900000000 ] - [ -0.0011231600000000, -0.0000672000000000, 0.0008187900000000 ] - [ -0.0002728200000000, -0.0007340800000000, 0.0001093300000000 ] - [ 0.0011111100000000, 0.0062912500000000, 0.0007960000000000 ] - [ -0.0148915700000000, -0.0072043200000000, -0.0056892500000000 ] - [ -0.0001806200000000, 0.0006891600000000, 0.0002131700000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004729700000000, 0.0038991000000000, 0.0014701300000000 ] - [ -0.0018085300000000, -0.0018267100000000, -0.0000213900000000 ] - [ 0.0008920400000000, -0.0002550600000000, 0.0006281800000000 ] - [ 0.0008677300000000, 0.0001148100000000, 0.0007212800000000 ] - [ 0.0203650000000000, 0.0783703800000000, -0.0555237600000000 ] - [ 0.0000254000000000, 0.0002044600000000, 0.0001029600000000 ] - [ 0.0019070900000000, -0.0055489800000000, -0.0027380100000000 ] - [ 0.0020265200000000, -0.0015974500000000, -0.0046372000000000 ] - [ 0.0000777300000000, -0.0001391200000000, 0.0001531000000000 ] - [ -0.0002918900000000, -0.0012727900000000, 0.0009595800000000 ] - [ -0.0015816700000000, -0.0017772100000000, -0.0006224100000000 ] - [ 0.0005492500000000, -0.0005116200000000, 0.0012824000000000 ] - [ -0.0001095300000000, 0.0021241000000000, -0.0003105900000000 ] - [ -0.0009783400000000, -0.0020961500000000, -0.0002679000000000 ] - [ -0.0002882700000000, -0.0004415800000000, 0.0000366900000000 ] - [ -0.0004665600000000, 0.0003866700000000, -0.0000310100000000 ] - [ 0.0006646400000000, 0.0002936300000000, -0.0004223000000000 ] - [ -0.0006371000000000, 0.0025576200000000, 0.0010422700000000 ] - [ -0.0000047500000000, 0.0011756900000000, 0.0013941600000000 ] - [ 0.0002832300000000, 0.0002646400000000, -0.0006715300000000 ] - [ 0.0310969800000000, 0.0274359900000000, -0.0334271300000000 ] - [ 0.0000226200000000, 0.0002018100000000, 0.0000100600000000 ] - [ -0.0046868500000000, 0.0056136300000000, 0.0023113100000000 ] - [ 0.0015844400000000, 0.0052950400000000, 0.0018713100000000 ] - [ 0.0000539300000000, -0.0003017700000000, 0.0000325900000000 ] - [ -0.0001861300000000, -0.0176494900000000, 0.0069136900000000 ] - [ 0.0002374700000000, 0.0003106000000000, -0.0004315600000000 ] - [ 0.0002458500000000, -0.0002906800000000, -0.0002316700000000 ] - [ 0.0009854500000000, 0.0025755000000000, -0.0011185300000000 ] - [ -0.0582004600000000, -0.1087190800000000, 0.0805362100000000 ] - [ -0.0001208900000000, -0.0000220300000000, -0.0005970400000000 ] - [ -0.0001075100000000, 0.0000601100000000, -0.0005314500000000 ] - [ 0.0004381300000000, 0.0016208100000000, 0.0004343300000000 ] - [ -0.0031824900000000, -0.0005822400000000, -0.0013724800000000 ] - [ -0.0000672900000000, -0.0002269100000000, -0.0002323700000000 ] - [ -0.0000951300000000, 0.0003575600000000, -0.0002857800000000 ] - [ -0.0003738100000000, -0.0005157100000000, -0.0005249500000000 ] - [ 0.0001811700000000, -0.0006897700000000, 0.0021599400000000 ] - [ 0.0000871000000000, 0.0011702200000000, -0.0004190700000000 ] - [ -0.0000068500000000, 0.0006780800000000, 0.0003119600000000 ] - [ 0.0008642400000000, -0.0014853100000000, -0.0007460200000000 ] - [ -0.0003992900000000, 0.0009626200000000, -0.0008292400000000 ] - [ 0.0008703500000000, 0.0018790600000000, -0.0026588200000000 ] - [ 0.0002818700000000, 0.0007277700000000, -0.0016336800000000 ] - [ -0.0018365800000000, -0.0013249800000000, -0.0017297000000000 ] - [ 0.0001477900000000, -0.0003105500000000, 0.0003596000000000 ] - [ 0.0002129800000000, -0.0005246400000000, -0.0006012000000000 ] - [ -0.0002850200000000, 0.0017740700000000, 0.0020888200000000 ] - [ -0.0003775000000000, -0.0004961000000000, -0.0003076800000000 ] - [ 0.0041857200000000, -0.0012273000000000, -0.0032896700000000 ] - [ 0.0005523100000000, 0.0024504000000000, 0.0006884900000000 ] - [ -0.0004539200000000, 0.0005183100000000, -0.0003338600000000 ] - [ -0.0000769300000000, -0.0027204900000000, 0.0011659100000000 ] - [ 0.0003251000000000, 0.0002399600000000, -0.0000727800000000 ] - [ 0.0001403600000000, -0.0000019000000000, -0.0001799500000000 ] - [ 0.0017237000000000, 0.0023611000000000, 0.0042916200000000 ] - [ -0.0003078800000000, -0.0010802200000000, -0.0000588700000000 ] - [ 0.0005039400000000, -0.0009500400000000, -0.0012113200000000 ] - [ 0.0011830600000000, 0.0003884700000000, 0.0009781900000000 ] - [ -0.0002117200000000, 0.0009910700000000, 0.0000315800000000 ] - [ 0.0028545700000000, -0.0032485100000000, 0.0009693100000000 ] - [ 0.0007983600000000, 0.0008489500000000, 0.0001610200000000 ] - [ 0.0008229600000000, -0.0008905200000000, 0.0002239600000000 ] - [ -0.0028263500000000, 0.0055063100000000, 0.0001091200000000 ] - [ 0.0011665700000000, -0.0001900800000000, 0.0018734900000000 ] - [ 0.0005812600000000, -0.0006666100000000, -0.0002333800000000 ] - [ 0.0001079300000000, 0.0001232300000000, 0.0002007300000000 ] - [ -0.0020575300000000, 0.0028781400000000, 0.0014306800000000 ] - [ 0.0000995600000000, 0.0000358000000000, 0.0002643800000000 ] - [ -0.0002708900000000, -0.0023454100000000, 0.0006628700000000 ] - [ -0.0008867800000000, -0.0003283600000000, 0.0043155400000000 ] - [ 0.0003251400000000, 0.0002952800000000, 0.0002732400000000 ] - [ 0.0027676300000000, -0.0014612000000000, -0.0038064400000000 ] - [ 0.0004634400000000, -0.0002703400000000, 0.0007383500000000 ] - [ -0.0023761000000000, 0.0064931500000000, -0.0022901100000000 ] - [ 0.0004381800000000, 0.0000912500000000, 0.0005593000000000 ] - [ -0.0001737700000000, 0.0003262600000000, -0.0006031000000000 ] - [ -0.0005060300000000, -0.0015054500000000, -0.0003343800000000 ] - [ 0.0007696600000000, -0.0006931400000000, -0.0011096500000000 ] - [ 0.0002389700000000, 0.0022583900000000, -0.0005062900000000 ] - [ -0.0002412800000000, -0.0008004600000000, 0.0005384300000000 ] - [ -0.0011725500000000, -0.0118376200000000, -0.0015895000000000 ] - [ 0.0033748400000000, 0.0121336600000000, 0.0035518400000000 ] - [ -0.0002651100000000, 0.0008298800000000, 0.0006951700000000 ]- atom: 30 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008748300000000, -0.0046866200000000, -0.0018907000000000 ] - [ 0.0001442800000000, 0.0021229800000000, 0.0008917700000000 ] - [ 0.0007596400000000, -0.0000256200000000, 0.0002183900000000 ] - [ 0.0007832800000000, 0.0001640200000000, 0.0001250400000000 ] - [ -0.0214169500000000, -0.0789092800000000, 0.0548128700000000 ] - [ -0.0000065300000000, 0.0003142900000000, -0.0002479900000000 ] - [ -0.0019316800000000, 0.0050451700000000, 0.0026461400000000 ] - [ -0.0020738700000000, 0.0020815900000000, 0.0045436600000000 ] - [ -0.0000584000000000, -0.0003792000000000, -0.0002987300000000 ] - [ 0.0006378000000000, 0.0002157400000000, -0.0005143600000000 ] - [ 0.0012351600000000, 0.0028579500000000, 0.0010584100000000 ] - [ -0.0008907700000000, -0.0005586200000000, -0.0008430200000000 ] - [ 0.0004387700000000, -0.0010585800000000, 0.0007469700000000 ] - [ 0.0013762100000000, 0.0028790300000000, -0.0001610200000000 ] - [ -0.0001118000000000, -0.0003364800000000, -0.0004601400000000 ] - [ 0.0000745300000000, 0.0003833300000000, -0.0004001900000000 ] - [ -0.0001170200000000, -0.0003680000000000, 0.0003534200000000 ] - [ 0.0001479900000000, -0.0017728500000000, -0.0020080200000000 ] - [ -0.0004914000000000, -0.0019354600000000, -0.0023534700000000 ] - [ 0.0002074800000000, 0.0005054100000000, -0.0002586600000000 ] - [ -0.0305310500000000, -0.0278916200000000, 0.0329025300000000 ] - [ 0.0001089400000000, 0.0003770200000000, 0.0004920700000000 ] - [ 0.0046181400000000, -0.0062279500000000, -0.0018378800000000 ] - [ -0.0017459300000000, -0.0047452800000000, -0.0014045700000000 ] - [ 0.0000770300000000, -0.0002789000000000, 0.0004689700000000 ] - [ -0.0003071600000000, 0.0168640200000000, -0.0067978000000000 ] - [ 0.0002520400000000, 0.0005525700000000, 0.0001223600000000 ] - [ 0.0002425300000000, -0.0005722900000000, -0.0000771900000000 ] - [ -0.0014630800000000, -0.0017119500000000, 0.0007892100000000 ] - [ 0.0576739600000000, 0.1088341800000000, -0.0798715600000000 ] - [ -0.0000576300000000, 0.0000672600000000, -0.0000481400000000 ] - [ -0.0000709500000000, -0.0001048700000000, -0.0001145800000000 ] - [ -0.0002636500000000, -0.0015902500000000, -0.0011004300000000 ] - [ 0.0032918800000000, 0.0011824100000000, 0.0012826300000000 ] - [ -0.0000424900000000, -0.0003972700000000, 0.0001647100000000 ] - [ -0.0000145600000000, 0.0002674200000000, 0.0002190200000000 ] - [ 0.0002564800000000, 0.0006509600000000, 0.0008093700000000 ] - [ -0.0000506100000000, 0.0005647800000000, -0.0018854600000000 ] - [ 0.0000253900000000, -0.0010344500000000, 0.0006889800000000 ] - [ -0.0001074700000000, -0.0008219900000000, -0.0000244400000000 ] - [ -0.0001824100000000, 0.0002703200000000, 0.0001807900000000 ] - [ -0.0002805000000000, 0.0002511400000000, 0.0002642700000000 ] - [ -0.0015566300000000, -0.0031058400000000, 0.0021200700000000 ] - [ 0.0003921000000000, 0.0004705300000000, 0.0010679400000000 ] - [ 0.0012939900000000, 0.0012693100000000, 0.0016577500000000 ] - [ 0.0004099200000000, 0.0003833800000000, -0.0004185700000000 ] - [ 0.0002778300000000, -0.0002467300000000, -0.0003298000000000 ] - [ -0.0002705300000000, -0.0017024700000000, -0.0021391800000000 ] - [ -0.0004594700000000, -0.0005064400000000, 0.0002240900000000 ] - [ -0.0033930300000000, 0.0022347500000000, 0.0032008100000000 ] - [ 0.0002935700000000, -0.0034659600000000, -0.0007846400000000 ] - [ -0.0003814000000000, 0.0004849600000000, 0.0002477200000000 ] - [ -0.0002767300000000, 0.0023797400000000, -0.0011152600000000 ] - [ 0.0000138400000000, 0.0001021100000000, 0.0001345700000000 ] - [ 0.0002026700000000, -0.0003290100000000, 0.0002505500000000 ] - [ -0.0020571400000000, -0.0020389600000000, -0.0042163000000000 ] - [ -0.0000205200000000, -0.0001008900000000, 0.0006233800000000 ] - [ -0.0001920500000000, 0.0021444600000000, 0.0017676200000000 ] - [ -0.0008662700000000, -0.0015758600000000, -0.0004229600000000 ] - [ -0.0001033400000000, 0.0001904900000000, 0.0005220000000000 ] - [ -0.0045300500000000, 0.0013756000000000, -0.0002185900000000 ] - [ 0.0008366800000000, 0.0010475400000000, 0.0005967600000000 ] - [ 0.0008130300000000, -0.0010067600000000, 0.0005338000000000 ] - [ 0.0011971400000000, -0.0036225200000000, 0.0006234200000000 ] - [ -0.0017770400000000, 0.0005380500000000, -0.0030298700000000 ] - [ 0.0000155300000000, 0.0003498600000000, -0.0009367400000000 ] - [ 0.0004955000000000, 0.0001904000000000, -0.0013712800000000 ] - [ 0.0014852100000000, -0.0031837600000000, -0.0025932100000000 ] - [ 0.0002669900000000, -0.0000800500000000, -0.0005821400000000 ] - [ -0.0000921400000000, 0.0023934300000000, -0.0009757200000000 ] - [ 0.0005215800000000, 0.0000484400000000, -0.0044576800000000 ] - [ 0.0000436500000000, -0.0002457400000000, -0.0005962100000000 ] - [ -0.0037925300000000, 0.0020446800000000, 0.0046537200000000 ] - [ 0.0004599100000000, -0.0000704800000000, 0.0000217900000000 ] - [ 0.0015131900000000, -0.0068288500000000, 0.0031014200000000 ] - [ 0.0004832400000000, 0.0002466300000000, 0.0001984900000000 ] - [ 0.0002138600000000, -0.0008743600000000, 0.0007308500000000 ] - [ 0.0004698000000000, 0.0020526700000000, 0.0004811100000000 ] - [ -0.0008075600000000, 0.0000702900000000, 0.0012148000000000 ] - [ -0.0002043200000000, -0.0017050100000000, 0.0006387700000000 ] - [ -0.0002202500000000, -0.0006421600000000, -0.0001433200000000 ] - [ 0.0016325700000000, 0.0132985000000000, 0.0020227700000000 ] - [ -0.0031444700000000, -0.0136408400000000, -0.0031869800000000 ] - [ -0.0001967300000000, 0.0006127900000000, -0.0002990100000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0034911400000000, -0.0009613500000000, -0.0027311800000000 ] - [ -0.0005187200000000, 0.0018452800000000, 0.0040959000000000 ] - [ 0.0007726200000000, -0.0001872000000000, -0.0018161000000000 ] - [ 0.0008245500000000, 0.0003259100000000, -0.0021112100000000 ] - [ -0.0476295600000000, -0.0565976600000000, 0.1952268900000000 ] - [ 0.0000214300000000, 0.0000914100000000, -0.0025301300000000 ] - [ -0.0002951900000000, 0.0000361400000000, 0.0048368600000000 ] - [ -0.0006163100000000, -0.0031105800000000, 0.0062894400000000 ] - [ -0.0000352300000000, -0.0001249800000000, -0.0026695900000000 ] - [ 0.0012992300000000, 0.0009284300000000, -0.0008159900000000 ] - [ 0.0000201700000000, 0.0020008400000000, -0.0001524000000000 ] - [ -0.0022481900000000, 0.0001662000000000, -0.0023641900000000 ] - [ -0.0010503200000000, 0.0004306200000000, -0.0017183700000000 ] - [ -0.0010377200000000, -0.0037864700000000, 0.0014130900000000 ] - [ 0.0002109000000000, -0.0016838400000000, -0.0018144500000000 ] - [ 0.0013887000000000, 0.0006967100000000, -0.0029309400000000 ] - [ -0.0004375600000000, -0.0005681200000000, 0.0014517000000000 ] - [ 0.0004172700000000, 0.0023719400000000, -0.0032637800000000 ] - [ -0.0016479700000000, 0.0006509400000000, -0.0031928000000000 ] - [ -0.0000116400000000, 0.0002862800000000, 0.0021271500000000 ] - [ -0.0196390900000000, -0.0274204500000000, 0.0041828400000000 ] - [ 0.0002963800000000, 0.0004757000000000, 0.0026050500000000 ] - [ 0.0020400200000000, -0.0016119200000000, -0.0057492500000000 ] - [ -0.0009402900000000, -0.0005841900000000, -0.0050680700000000 ] - [ 0.0001703300000000, -0.0005446700000000, 0.0024961700000000 ] - [ -0.0011896800000000, 0.0063684500000000, 0.0654293400000000 ] - [ 0.0003026300000000, -0.0003797100000000, 0.0023407500000000 ] - [ 0.0002112000000000, 0.0001236100000000, 0.0018781300000000 ] - [ -0.0008805300000000, -0.0001462100000000, -0.0019132200000000 ] - [ 0.0608295900000000, 0.0774453800000000, -0.2958889800000000 ] - [ -0.0000768500000000, 0.0002831000000000, 0.0019852100000000 ] - [ -0.0000337300000000, -0.0002182300000000, 0.0017036100000000 ] - [ -0.0007042400000000, -0.0007607700000000, -0.0045561100000000 ] - [ 0.0015628200000000, -0.0019353500000000, -0.0034865300000000 ] - [ -0.0000724700000000, -0.0003381400000000, 0.0014104800000000 ] - [ -0.0000680700000000, 0.0002183000000000, 0.0015301600000000 ] - [ 0.0004194700000000, 0.0005221600000000, 0.0026861500000000 ] - [ 0.0014516800000000, 0.0008892900000000, 0.0006116100000000 ] - [ -0.0006768700000000, 0.0000889800000000, 0.0000005800000000 ] - [ -0.0002435800000000, -0.0004104000000000, 0.0017329700000000 ] - [ 0.0005689800000000, -0.0012229100000000, 0.0011607400000000 ] - [ 0.0002641400000000, -0.0006856600000000, 0.0006981500000000 ] - [ -0.0010096000000000, -0.0023228700000000, 0.0024011400000000 ] - [ -0.0001253000000000, -0.0011042600000000, 0.0017624900000000 ] - [ 0.0028737700000000, -0.0005944800000000, 0.0039353800000000 ] - [ 0.0009833500000000, 0.0004093500000000, 0.0027848300000000 ] - [ 0.0003366300000000, 0.0001363000000000, 0.0019900100000000 ] - [ -0.0006971200000000, 0.0002702900000000, 0.0003963800000000 ] - [ -0.0006486300000000, -0.0010993300000000, 0.0027548200000000 ] - [ -0.0069330600000000, -0.0026511600000000, -0.0009429500000000 ] - [ 0.0015254800000000, -0.0000518400000000, -0.0038047800000000 ] - [ -0.0004103300000000, 0.0012432400000000, 0.0023439300000000 ] - [ -0.0008058200000000, 0.0014024000000000, 0.0012812700000000 ] - [ -0.0001878300000000, 0.0004802000000000, 0.0015973500000000 ] - [ 0.0004715500000000, 0.0009906900000000, 0.0027581700000000 ] - [ 0.0020016000000000, 0.0061349700000000, 0.0030263700000000 ] - [ -0.0019949800000000, -0.0001416500000000, 0.0033134900000000 ] - [ -0.0015773200000000, 0.0003877900000000, 0.0035025300000000 ] - [ 0.0011761000000000, 0.0007504300000000, 0.0008457900000000 ] - [ -0.0003401800000000, 0.0004840200000000, 0.0016902900000000 ] - [ 0.0009870700000000, -0.0001571200000000, -0.0036274100000000 ] - [ 0.0008051300000000, 0.0008726000000000, 0.0020080500000000 ] - [ 0.0007917000000000, -0.0008573300000000, 0.0018343300000000 ] - [ 0.0002983600000000, 0.0001153400000000, -0.0027510200000000 ] - [ -0.0027083300000000, 0.0041938200000000, -0.0014653600000000 ] - [ 0.0000076200000000, 0.0001517700000000, -0.0027044700000000 ] - [ 0.0005350300000000, 0.0006035800000000, -0.0033141500000000 ] - [ 0.0041782200000000, 0.0002804100000000, -0.0023301900000000 ] - [ 0.0001099100000000, 0.0002667100000000, -0.0027780600000000 ] - [ -0.0000083100000000, 0.0013537800000000, 0.0024266700000000 ] - [ 0.0003960600000000, 0.0045363200000000, 0.0013409300000000 ] - [ 0.0003330000000000, 0.0003602500000000, -0.0035452300000000 ] - [ 0.0014690500000000, -0.0051250600000000, 0.0063621000000000 ] - [ 0.0006386900000000, -0.0003155300000000, -0.0022766200000000 ] - [ -0.0049604800000000, -0.0029018100000000, 0.0078576000000000 ] - [ 0.0003716800000000, 0.0000496500000000, -0.0025736300000000 ] - [ 0.0002646700000000, -0.0015190200000000, -0.0031184300000000 ] - [ -0.0000496200000000, -0.0004683400000000, -0.0005758500000000 ] - [ -0.0002111900000000, -0.0090042300000000, -0.0066392600000000 ] - [ -0.0006026800000000, -0.0009467300000000, -0.0060281700000000 ] - [ -0.0002857700000000, -0.0008342700000000, -0.0034406500000000 ] - [ 0.0011725700000000, 0.0071149500000000, 0.0063463800000000 ] - [ 0.0056256400000000, 0.0037175600000000, 0.0280221100000000 ] - [ -0.0003057300000000, 0.0008217600000000, -0.0037858100000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0030427500000000, 0.0002190000000000, 0.0023228900000000 ] - [ -0.0011545200000000, -0.0015247800000000, -0.0032227300000000 ] - [ 0.0008792500000000, -0.0000955500000000, 0.0026871900000000 ] - [ 0.0008283300000000, -0.0000422300000000, 0.0029820300000000 ] - [ 0.0512063700000000, 0.0622697400000000, -0.2063109800000000 ] - [ -0.0000036800000000, 0.0004242200000000, 0.0024174100000000 ] - [ 0.0002805900000000, -0.0005662000000000, -0.0049751800000000 ] - [ 0.0006126700000000, 0.0035925600000000, -0.0064520400000000 ] - [ 0.0000524300000000, -0.0003924100000000, 0.0025564200000000 ] - [ -0.0009496100000000, -0.0020260600000000, 0.0012367000000000 ] - [ -0.0003613900000000, -0.0009053200000000, 0.0005846900000000 ] - [ 0.0018920600000000, -0.0012535000000000, 0.0027868000000000 ] - [ 0.0014322900000000, 0.0006737500000000, 0.0021446100000000 ] - [ 0.0014345800000000, 0.0045373800000000, -0.0018206200000000 ] - [ -0.0006022200000000, 0.0009288100000000, 0.0013907300000000 ] - [ -0.0017924000000000, 0.0000683600000000, 0.0025169900000000 ] - [ 0.0009690400000000, 0.0004894200000000, -0.0015046400000000 ] - [ -0.0009266900000000, -0.0015934100000000, 0.0023452000000000 ] - [ 0.0011690000000000, -0.0014227300000000, 0.0022718300000000 ] - [ 0.0005039400000000, 0.0004887200000000, -0.0030795500000000 ] - [ 0.0198285300000000, 0.0268750400000000, -0.0040709500000000 ] - [ -0.0001736800000000, 0.0000888200000000, -0.0021311000000000 ] - [ -0.0021957400000000, 0.0010868000000000, 0.0062215600000000 ] - [ 0.0008274900000000, 0.0011816600000000, 0.0055378400000000 ] - [ -0.0000474100000000, -0.0000189900000000, -0.0020223900000000 ] - [ 0.0007771600000000, -0.0073638500000000, -0.0673156600000000 ] - [ 0.0001861100000000, 0.0012413100000000, -0.0026666600000000 ] - [ 0.0002772100000000, -0.0009880800000000, -0.0022064100000000 ] - [ 0.0003981900000000, 0.0009901400000000, 0.0016055200000000 ] - [ -0.0657410600000000, -0.0831024500000000, 0.3083223800000000 ] - [ -0.0001083900000000, -0.0002530100000000, -0.0026507900000000 ] - [ -0.0001518600000000, 0.0001858800000000, -0.0023680400000000 ] - [ 0.0008996700000000, 0.0007866100000000, 0.0038839400000000 ] - [ -0.0014031100000000, 0.0025133600000000, 0.0034404400000000 ] - [ -0.0000392700000000, -0.0002919500000000, -0.0014838400000000 ] - [ -0.0000435200000000, 0.0004086200000000, -0.0016036400000000 ] - [ -0.0005236000000000, -0.0003756200000000, -0.0023931600000000 ] - [ -0.0013659500000000, -0.0010515600000000, -0.0002870600000000 ] - [ 0.0007898400000000, 0.0000512300000000, 0.0003018700000000 ] - [ 0.0001345600000000, 0.0002662900000000, -0.0014460300000000 ] - [ 0.0001166800000000, -0.0000160500000000, -0.0017249900000000 ] - [ -0.0009541300000000, 0.0019185500000000, -0.0012689200000000 ] - [ 0.0003114600000000, 0.0010774700000000, -0.0029637600000000 ] - [ 0.0008239400000000, 0.0023566000000000, -0.0023240500000000 ] - [ -0.0033813800000000, 0.0005063500000000, -0.0039731300000000 ] - [ -0.0004722100000000, -0.0003348700000000, -0.0028527400000000 ] - [ 0.0001573400000000, -0.0009093100000000, -0.0029425200000000 ] - [ 0.0001633700000000, -0.0001934200000000, -0.0004706500000000 ] - [ -0.0001830300000000, 0.0000921100000000, -0.0028474700000000 ] - [ 0.0077088700000000, 0.0036233100000000, 0.0008252200000000 ] - [ -0.0006890200000000, -0.0009531500000000, 0.0036963300000000 ] - [ -0.0004235800000000, -0.0002388800000000, -0.0024329100000000 ] - [ 0.0004635700000000, -0.0017609300000000, -0.0012360200000000 ] - [ 0.0005209400000000, -0.0001269800000000, -0.0015376700000000 ] - [ -0.0001454500000000, -0.0013598200000000, -0.0027130400000000 ] - [ -0.0023164200000000, -0.0057320200000000, -0.0029565500000000 ] - [ 0.0017008700000000, -0.0010442300000000, -0.0027747200000000 ] - [ 0.0018595100000000, 0.0007864700000000, -0.0029347100000000 ] - [ -0.0008633000000000, -0.0019286300000000, -0.0003020400000000 ] - [ 0.0000253800000000, 0.0006978800000000, -0.0011344000000000 ] - [ -0.0026368200000000, -0.0017408900000000, 0.0043924700000000 ] - [ 0.0008435800000000, 0.0010342500000000, -0.0012554700000000 ] - [ 0.0008574700000000, -0.0010506400000000, -0.0010814200000000 ] - [ -0.0019536400000000, 0.0017970400000000, 0.0035112000000000 ] - [ 0.0021191000000000, -0.0039037200000000, 0.0002801700000000 ] - [ 0.0005910700000000, -0.0004655900000000, 0.0015460000000000 ] - [ 0.0000657800000000, -0.0002855800000000, 0.0021545700000000 ] - [ -0.0048092700000000, -0.0006081700000000, 0.0011412300000000 ] - [ 0.0002598900000000, -0.0003177800000000, 0.0024714800000000 ] - [ -0.0003624000000000, -0.0013072000000000, -0.0027090400000000 ] - [ -0.0007531400000000, -0.0047705400000000, -0.0014607600000000 ] - [ 0.0000335200000000, -0.0003178100000000, 0.0032463900000000 ] - [ -0.0024037900000000, 0.0055197600000000, -0.0055269300000000 ] - [ 0.0002807300000000, -0.0000218600000000, 0.0030467100000000 ] - [ 0.0040919500000000, 0.0025804300000000, -0.0070266300000000 ] - [ 0.0005518400000000, 0.0002903100000000, 0.0033458300000000 ] - [ -0.0002264600000000, 0.0009594400000000, 0.0032611300000000 ] - [ 0.0000082000000000, 0.0010251600000000, 0.0006828900000000 ] - [ 0.0001784800000000, 0.0085359400000000, 0.0067970000000000 ] - [ 0.0006371200000000, 0.0014896200000000, 0.0061498900000000 ] - [ -0.0001720500000000, -0.0006167400000000, 0.0038598000000000 ] - [ -0.0007154800000000, -0.0056691100000000, -0.0059332900000000 ] - [ -0.0055090000000000, -0.0053442400000000, -0.0277737800000000 ] - [ -0.0001525700000000, 0.0006274500000000, 0.0042037300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016359400000000, 0.0026558000000000, 0.0043403300000000 ] - [ -0.0007746500000000, 0.0001257300000000, 0.0004670000000000 ] - [ 0.0012977200000000, -0.0003828000000000, -0.0007509900000000 ] - [ -0.0002495000000000, -0.0026372000000000, 0.0044198500000000 ] - [ -0.0007629200000000, -0.0001027400000000, 0.0000672300000000 ] - [ -0.0007221500000000, 0.0008075900000000, 0.0016186000000000 ] - [ 0.0000937000000000, -0.0003864500000000, -0.0001543400000000 ] - [ 0.0000893100000000, 0.0004548200000000, -0.0006951900000000 ] - [ -0.0013632300000000, -0.0020259800000000, -0.0019964600000000 ] - [ 0.0002282600000000, -0.0005220400000000, 0.0001063000000000 ] - [ -0.0013295800000000, 0.0008990000000000, -0.0013788500000000 ] - [ 0.0683095100000000, 0.0354030800000000, 0.0363097200000000 ] - [ 0.0002792300000000, 0.0005476500000000, 0.0001246600000000 ] - [ 0.0017621700000000, 0.0025010700000000, 0.0008894700000000 ] - [ -0.0001235900000000, -0.0004952500000000, -0.0004474600000000 ] - [ -0.0002926400000000, -0.0001178800000000, -0.0000797200000000 ] - [ 0.0002045800000000, -0.0000289800000000, 0.0000898200000000 ] - [ -0.0002769200000000, 0.0004056300000000, -0.0003978000000000 ] - [ -0.0002145700000000, -0.0003050600000000, -0.0000248300000000 ] - [ 0.0057242200000000, 0.0020028800000000, 0.0006268600000000 ] - [ 0.0001375100000000, -0.0004127300000000, 0.0001639300000000 ] - [ 0.0003621000000000, 0.0011988000000000, 0.0014618200000000 ] - [ -0.0003164700000000, 0.0003200500000000, 0.0011190600000000 ] - [ 0.0003013700000000, 0.0004957300000000, 0.0003851100000000 ] - [ 0.0000782800000000, -0.0004272600000000, -0.0004079900000000 ] - [ -0.0001877700000000, -0.0003304100000000, 0.0000909100000000 ] - [ 0.0067783200000000, 0.0050703900000000, -0.0075757700000000 ] - [ -0.0002157800000000, 0.0005525100000000, 0.0018260400000000 ] - [ -0.0002964900000000, 0.0004613700000000, -0.0001592700000000 ] - [ 0.0007339100000000, -0.0003378100000000, 0.0001389200000000 ] - [ -0.0001013500000000, 0.0001389500000000, -0.0017350400000000 ] - [ -0.0001106700000000, -0.0000512200000000, 0.0004011800000000 ] - [ -0.0002368500000000, -0.0000253600000000, -0.0005188900000000 ] - [ -0.0000184500000000, 0.0002669800000000, -0.0001747700000000 ] - [ -0.0012395500000000, 0.0000182200000000, 0.0005758800000000 ] - [ 0.0017845300000000, 0.0021528800000000, -0.0001443800000000 ] - [ -0.0825687200000000, -0.0499083800000000, -0.0598338300000000 ] - [ 0.0000070200000000, -0.0000991800000000, 0.0002064100000000 ] - [ 0.0000646900000000, 0.0000999700000000, 0.0002656800000000 ] - [ 0.0022288300000000, -0.0021721800000000, 0.0000866100000000 ] - [ 0.0002771000000000, -0.0006525300000000, -0.0002087100000000 ] - [ -0.0166612500000000, -0.0058984200000000, -0.0025830500000000 ] - [ 0.0012503400000000, -0.0009137500000000, -0.0011775200000000 ] - [ 0.0003591200000000, 0.0005709900000000, -0.0001901600000000 ] - [ 0.0141301000000000, 0.0138341300000000, 0.0390363500000000 ] - [ 0.0003100900000000, 0.0000515900000000, 0.0001798500000000 ] - [ -0.0032168600000000, -0.0075210700000000, -0.0068054700000000 ] - [ 0.0016404900000000, 0.0013671800000000, -0.0015405100000000 ] - [ -0.0008489800000000, -0.0002206000000000, -0.0010389700000000 ] - [ -0.0001023600000000, -0.0010077500000000, -0.0013049100000000 ] - [ 0.0002852700000000, -0.0009522800000000, -0.0002645000000000 ] - [ -0.0003161400000000, 0.0006189300000000, 0.0002810800000000 ] - [ 0.0018701200000000, 0.0004441000000000, -0.0057932800000000 ] - [ 0.0000261000000000, 0.0003952900000000, 0.0001592500000000 ] - [ 0.0002874600000000, -0.0000799600000000, 0.0002255800000000 ] - [ -0.0004150500000000, -0.0025883700000000, 0.0016273200000000 ] - [ -0.0000616600000000, -0.0005104800000000, 0.0002637900000000 ] - [ 0.0092224700000000, 0.0022021500000000, -0.0024784000000000 ] - [ -0.0022498500000000, -0.0009592900000000, -0.0009672300000000 ] - [ -0.0002400700000000, 0.0006207000000000, 0.0004651900000000 ] - [ -0.0010718500000000, -0.0009735500000000, 0.0006477300000000 ] - [ 0.0025936100000000, 0.0010395000000000, 0.0047660000000000 ] - [ 0.0016544700000000, -0.0018931200000000, 0.0000138100000000 ] - [ -0.0007484600000000, 0.0010732800000000, 0.0002377700000000 ] - [ -0.0003563600000000, 0.0001998900000000, -0.0006943500000000 ] - [ 0.0009268200000000, -0.0014106300000000, -0.0008636900000000 ] - [ -0.0053639000000000, 0.0064106100000000, -0.0018660400000000 ] - [ -0.0002392200000000, -0.0000879000000000, -0.0007269600000000 ] - [ 0.0004955900000000, 0.0000638200000000, -0.0004979900000000 ] - [ 0.0006778400000000, -0.0007965400000000, 0.0009058100000000 ] - [ -0.0033164600000000, -0.0017875300000000, -0.0006156900000000 ] - [ -0.0001960600000000, 0.0002091900000000, -0.0002550500000000 ] - [ -0.0017003800000000, -0.0000216800000000, 0.0012403100000000 ] - [ 0.0006273500000000, -0.0002519700000000, 0.0002068600000000 ] - [ 0.0022533700000000, 0.0018667400000000, -0.0013110100000000 ] - [ 0.0002361300000000, 0.0004081200000000, -0.0003896000000000 ] - [ 0.0044121300000000, -0.0045862700000000, 0.0011965800000000 ] - [ 0.0000926300000000, 0.0001797200000000, -0.0001918000000000 ] - [ -0.0001644600000000, -0.0003688300000000, -0.0002118800000000 ] - [ -0.0120360200000000, 0.0077577700000000, 0.0007298300000000 ] - [ -0.0014297600000000, -0.0015148800000000, -0.0003791100000000 ] - [ 0.0001905900000000, 0.0004659900000000, 0.0000450000000000 ] - [ 0.0001199500000000, -0.0006469500000000, 0.0005755300000000 ] - [ 0.0093685200000000, 0.0000544800000000, 0.0002464400000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020624500000000, -0.0034350800000000, -0.0046899400000000 ] - [ -0.0008752300000000, 0.0001524200000000, 0.0003840600000000 ] - [ 0.0003650500000000, 0.0000934300000000, 0.0016058500000000 ] - [ 0.0018930100000000, 0.0029217600000000, -0.0035859000000000 ] - [ -0.0008892200000000, -0.0001776500000000, 0.0007869900000000 ] - [ 0.0007458000000000, -0.0002917300000000, -0.0017463000000000 ] - [ -0.0001121700000000, -0.0001345100000000, 0.0000118600000000 ] - [ -0.0001070200000000, 0.0000665000000000, 0.0005523700000000 ] - [ 0.0013847200000000, 0.0015197800000000, 0.0018282600000000 ] - [ 0.0001141500000000, -0.0005454100000000, 0.0003356500000000 ] - [ 0.0009955300000000, 0.0001541500000000, 0.0018403700000000 ] - [ -0.0682937800000000, -0.0369736600000000, -0.0364189800000000 ] - [ 0.0000646000000000, 0.0005186800000000, 0.0003166000000000 ] - [ -0.0013770300000000, -0.0017455900000000, -0.0013169700000000 ] - [ -0.0002739800000000, -0.0002765800000000, 0.0000240100000000 ] - [ -0.0001073400000000, 0.0008879600000000, -0.0003420700000000 ] - [ 0.0003452400000000, -0.0000413800000000, -0.0001597600000000 ] - [ -0.0002138900000000, 0.0003655100000000, -0.0005371100000000 ] - [ -0.0002764500000000, -0.0004668000000000, -0.0009096800000000 ] - [ -0.0052202700000000, -0.0012103000000000, -0.0015250800000000 ] - [ -0.0000268400000000, -0.0002117800000000, -0.0002361100000000 ] - [ -0.0002303200000000, -0.0006179000000000, -0.0009510300000000 ] - [ 0.0001892000000000, -0.0009025900000000, -0.0006181200000000 ] - [ -0.0004363400000000, 0.0000828500000000, 0.0001152500000000 ] - [ 0.0000520600000000, -0.0001531100000000, 0.0008967700000000 ] - [ -0.0003011400000000, -0.0005335100000000, -0.0004067000000000 ] - [ -0.0063525800000000, -0.0042633000000000, 0.0073353700000000 ] - [ 0.0006931200000000, -0.0014035400000000, -0.0021381100000000 ] - [ -0.0001927600000000, 0.0004024800000000, -0.0001551900000000 ] - [ -0.0005541800000000, 0.0002924700000000, -0.0007933200000000 ] - [ -0.0000714700000000, -0.0000924600000000, 0.0010929300000000 ] - [ -0.0000743700000000, 0.0000105800000000, -0.0010550100000000 ] - [ 0.0004152800000000, 0.0000755500000000, -0.0001300000000000 ] - [ 0.0001267100000000, 0.0003589200000000, 0.0001024600000000 ] - [ 0.0011243300000000, -0.0006336300000000, -0.0006611600000000 ] - [ -0.0018904700000000, -0.0015411000000000, 0.0000831300000000 ] - [ 0.0822745000000000, 0.0501003100000000, 0.0609529700000000 ] - [ 0.0001097700000000, -0.0000356000000000, 0.0000741500000000 ] - [ 0.0000527600000000, 0.0000343400000000, 0.0000148100000000 ] - [ -0.0023575000000000, 0.0020779900000000, 0.0001941000000000 ] - [ 0.0004012000000000, -0.0005588700000000, -0.0003598300000000 ] - [ 0.0159775300000000, 0.0075257600000000, 0.0021847500000000 ] - [ -0.0019130600000000, -0.0002946400000000, 0.0005899900000000 ] - [ 0.0003199200000000, 0.0006405600000000, -0.0003782300000000 ] - [ -0.0146014800000000, -0.0140408800000000, -0.0395579100000000 ] - [ 0.0002398900000000, 0.0000186400000000, -0.0002483500000000 ] - [ 0.0037440700000000, 0.0067253000000000, 0.0058102000000000 ] - [ -0.0021943100000000, -0.0012830400000000, 0.0014482200000000 ] - [ 0.0000131500000000, -0.0007793000000000, 0.0009434400000000 ] - [ 0.0009218300000000, 0.0019911400000000, 0.0011975500000000 ] - [ 0.0005563000000000, -0.0000381600000000, 0.0001707600000000 ] - [ -0.0005185700000000, 0.0003822100000000, -0.0003714600000000 ] - [ -0.0022391800000000, -0.0007625500000000, 0.0058156800000000 ] - [ 0.0003144100000000, -0.0000577200000000, -0.0000999700000000 ] - [ 0.0000543400000000, -0.0002577600000000, -0.0001648400000000 ] - [ 0.0001007900000000, 0.0029415000000000, -0.0015953300000000 ] - [ -0.0002549700000000, -0.0006730000000000, 0.0002894600000000 ] - [ -0.0088359300000000, -0.0010456600000000, 0.0029478800000000 ] - [ 0.0025657300000000, -0.0002056600000000, 0.0015194000000000 ] - [ -0.0000779600000000, 0.0005624600000000, 0.0000888500000000 ] - [ -0.0005641300000000, -0.0009243100000000, 0.0001060500000000 ] - [ -0.0009679600000000, 0.0008458100000000, -0.0039914500000000 ] - [ -0.0000100500000000, -0.0000079200000000, 0.0007279100000000 ] - [ -0.0008866400000000, 0.0008249800000000, 0.0005152100000000 ] - [ -0.0002439200000000, 0.0001172800000000, -0.0004678700000000 ] - [ -0.0003683000000000, 0.0010665600000000, -0.0002576400000000 ] - [ 0.0061126200000000, -0.0061410700000000, 0.0007438000000000 ] - [ -0.0003619500000000, -0.0002296700000000, -0.0004353000000000 ] - [ -0.0001252500000000, -0.0001117600000000, 0.0001850100000000 ] - [ -0.0010290500000000, 0.0008196000000000, -0.0012580300000000 ] - [ 0.0029263800000000, 0.0017420400000000, 0.0003021400000000 ] - [ 0.0005604500000000, -0.0001639500000000, -0.0000590600000000 ] - [ 0.0007800000000000, 0.0003568100000000, -0.0004639600000000 ] - [ 0.0002923200000000, -0.0000862300000000, 0.0005618100000000 ] - [ -0.0031740000000000, -0.0021985200000000, 0.0020564600000000 ] - [ 0.0006897600000000, -0.0000667500000000, 0.0011531700000000 ] - [ -0.0042523500000000, 0.0041836700000000, -0.0010363700000000 ] - [ -0.0001279000000000, 0.0003740400000000, 0.0003230900000000 ] - [ 0.0001284300000000, -0.0001849600000000, 0.0003426000000000 ] - [ 0.0115249800000000, -0.0070773900000000, -0.0006249200000000 ] - [ 0.0009632500000000, 0.0000609700000000, 0.0007773700000000 ] - [ 0.0002689800000000, 0.0009744300000000, 0.0003592800000000 ] - [ 0.0003421300000000, -0.0007939300000000, -0.0001682700000000 ] - [ -0.0098254400000000, 0.0014014500000000, 0.0002073000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012269900000000, 0.0061864900000000, 0.0011356800000000 ] - [ -0.0006423400000000, 0.0001121500000000, 0.0001029800000000 ] - [ 0.0023402600000000, -0.0032347500000000, -0.0001272400000000 ] - [ 0.0010130900000000, -0.0006191900000000, 0.0028588300000000 ] - [ -0.0007519100000000, 0.0000047100000000, 0.0000612900000000 ] - [ 0.0000728900000000, -0.0026319600000000, -0.0066746200000000 ] - [ 0.0002093400000000, -0.0007894800000000, -0.0007799300000000 ] - [ 0.0002271900000000, 0.0007020300000000, -0.0011996600000000 ] - [ 0.0005852900000000, 0.0029628800000000, -0.0032790200000000 ] - [ 0.0003332000000000, -0.0006800300000000, -0.0001308100000000 ] - [ -0.0014608700000000, -0.0046734800000000, 0.0006947100000000 ] - [ 0.0326324200000000, 0.1262672800000000, 0.0652946500000000 ] - [ 0.0002831600000000, 0.0007328900000000, -0.0000941300000000 ] - [ 0.0010694800000000, -0.0011358500000000, 0.0019291400000000 ] - [ -0.0000587400000000, -0.0007746300000000, -0.0006568600000000 ] - [ -0.0000544000000000, 0.0006412000000000, -0.0005867400000000 ] - [ 0.0001622300000000, 0.0001139300000000, 0.0003808900000000 ] - [ -0.0002627200000000, 0.0004278300000000, 0.0000532900000000 ] - [ -0.0002474700000000, -0.0002567000000000, 0.0003511400000000 ] - [ 0.0031121300000000, -0.0002609600000000, 0.0031246800000000 ] - [ 0.0001256400000000, -0.0004218200000000, 0.0001041000000000 ] - [ -0.0001725000000000, -0.0002317100000000, 0.0015292300000000 ] - [ 0.0001717500000000, -0.0001188700000000, 0.0016354800000000 ] - [ -0.0005508400000000, 0.0004890500000000, 0.0010700800000000 ] - [ 0.0002113400000000, -0.0010929700000000, 0.0033694600000000 ] - [ -0.0002711200000000, -0.0003816900000000, 0.0001972400000000 ] - [ 0.0029923300000000, -0.0008726100000000, -0.0033160000000000 ] - [ -0.0004166200000000, 0.0044809900000000, 0.0016992900000000 ] - [ -0.0002783700000000, 0.0004068100000000, 0.0000983000000000 ] - [ 0.0003207700000000, -0.0005952000000000, 0.0001087300000000 ] - [ -0.0010272000000000, -0.0006101600000000, -0.0013179300000000 ] - [ -0.0007547200000000, 0.0010954300000000, -0.0003145800000000 ] - [ -0.0000989900000000, 0.0007544500000000, -0.0000112400000000 ] - [ -0.0001360200000000, 0.0002595600000000, -0.0000416500000000 ] - [ -0.0005562700000000, 0.0019994000000000, -0.0024250800000000 ] - [ -0.0002672000000000, 0.0015738600000000, -0.0013870900000000 ] - [ -0.0489702900000000, -0.2063870700000000, -0.1274814100000000 ] - [ 0.0000167200000000, -0.0001940100000000, 0.0005103200000000 ] - [ 0.0000153900000000, 0.0002204900000000, 0.0004784500000000 ] - [ 0.0020970200000000, 0.0033094000000000, -0.0005098400000000 ] - [ 0.0003624900000000, -0.0007434100000000, 0.0000234200000000 ] - [ -0.0016864500000000, 0.0580771500000000, 0.0308486400000000 ] - [ 0.0002112900000000, 0.0034747100000000, 0.0003549100000000 ] - [ 0.0003631400000000, 0.0006794200000000, 0.0000385500000000 ] - [ 0.0131703800000000, -0.0121729900000000, 0.0179390500000000 ] - [ 0.0001507000000000, -0.0001179200000000, 0.0003053700000000 ] - [ -0.0093076700000000, 0.0147513100000000, 0.0186090400000000 ] - [ 0.0018805800000000, 0.0046546900000000, -0.0036774100000000 ] - [ -0.0003066600000000, -0.0007791700000000, 0.0003872200000000 ] - [ -0.0008031700000000, -0.0028759700000000, -0.0003735500000000 ] - [ 0.0005522200000000, 0.0011669800000000, -0.0009665300000000 ] - [ -0.0004933800000000, 0.0008633300000000, 0.0005715600000000 ] - [ 0.0039464500000000, -0.0030955400000000, -0.0069213500000000 ] - [ 0.0002368800000000, 0.0000692700000000, 0.0002285700000000 ] - [ 0.0001934900000000, 0.0000547500000000, 0.0002458400000000 ] - [ -0.0001189900000000, 0.0003055900000000, -0.0019250200000000 ] - [ -0.0002754000000000, -0.0007017200000000, 0.0006485100000000 ] - [ 0.0000595600000000, -0.0036184000000000, -0.0004693400000000 ] - [ -0.0021086100000000, 0.0051068200000000, -0.0021087700000000 ] - [ -0.0002959900000000, 0.0007306400000000, 0.0006931800000000 ] - [ -0.0009754500000000, -0.0012554800000000, 0.0007287300000000 ] - [ 0.0002828400000000, -0.0020728400000000, -0.0002376800000000 ] - [ -0.0003493800000000, 0.0033888100000000, 0.0017431700000000 ] - [ -0.0008718200000000, 0.0014025100000000, 0.0003344000000000 ] - [ -0.0003075700000000, 0.0001584000000000, -0.0009417300000000 ] - [ -0.0040764000000000, -0.0076403200000000, 0.0037757800000000 ] - [ 0.0087938100000000, 0.0008827800000000, 0.0029170200000000 ] - [ -0.0002757400000000, -0.0000635100000000, -0.0010245000000000 ] - [ 0.0000173900000000, -0.0001855900000000, -0.0009603100000000 ] - [ 0.0015925400000000, -0.0044654800000000, -0.0050001100000000 ] - [ -0.0029583400000000, -0.0012550200000000, -0.0018638500000000 ] - [ 0.0003443800000000, 0.0004198500000000, -0.0009408700000000 ] - [ -0.0009274700000000, -0.0001929200000000, 0.0019243500000000 ] - [ 0.0002849900000000, -0.0008052300000000, 0.0002934400000000 ] - [ 0.0011577800000000, 0.0023973000000000, 0.0009077500000000 ] - [ 0.0004917700000000, 0.0003513500000000, 0.0005775400000000 ] - [ -0.0037054400000000, -0.0015573000000000, 0.0050510300000000 ] - [ 0.0000174100000000, 0.0001404900000000, -0.0006354500000000 ] - [ -0.0000603900000000, -0.0002743400000000, -0.0006272200000000 ] - [ 0.0054247300000000, 0.0098949300000000, 0.0051692000000000 ] - [ 0.0001966800000000, -0.0033632500000000, -0.0013790900000000 ] - [ -0.0000829700000000, 0.0001263700000000, -0.0002185500000000 ] - [ 0.0002800100000000, -0.0003489700000000, -0.0004158500000000 ] - [ 0.0001897300000000, 0.0117101800000000, -0.0000832300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016082800000000, -0.0069252100000000, -0.0015993200000000 ] - [ -0.0010132800000000, 0.0001750000000000, 0.0007773200000000 ] - [ -0.0006758700000000, 0.0029262800000000, 0.0009661900000000 ] - [ 0.0006348000000000, 0.0008679000000000, -0.0019705400000000 ] - [ -0.0008983300000000, -0.0002837000000000, 0.0008081100000000 ] - [ -0.0000764600000000, 0.0031638000000000, 0.0065437800000000 ] - [ -0.0002248500000000, 0.0002712800000000, 0.0006751100000000 ] - [ -0.0002451300000000, -0.0001848500000000, 0.0010895300000000 ] - [ -0.0005433900000000, -0.0034164500000000, 0.0031463000000000 ] - [ 0.0000156600000000, -0.0004089300000000, 0.0005585500000000 ] - [ 0.0010815600000000, 0.0057330000000000, -0.0002856000000000 ] - [ -0.0355294800000000, -0.1320467200000000, -0.0708939300000000 ] - [ 0.0000659800000000, 0.0003587500000000, 0.0005248900000000 ] - [ -0.0006437900000000, 0.0019128400000000, -0.0023138000000000 ] - [ -0.0003394600000000, 0.0000082400000000, 0.0002364900000000 ] - [ -0.0003520600000000, 0.0000984400000000, 0.0001849300000000 ] - [ 0.0003710700000000, -0.0001935100000000, -0.0004426700000000 ] - [ -0.0002303200000000, 0.0003484900000000, -0.0010129200000000 ] - [ -0.0002442800000000, -0.0005145800000000, -0.0013073000000000 ] - [ -0.0025964900000000, 0.0009939900000000, -0.0040366600000000 ] - [ -0.0000142600000000, -0.0002092100000000, -0.0001795200000000 ] - [ 0.0002909800000000, 0.0007769000000000, -0.0010482100000000 ] - [ -0.0003014700000000, -0.0004329700000000, -0.0011618100000000 ] - [ 0.0004391000000000, 0.0000840900000000, -0.0006020700000000 ] - [ -0.0000815700000000, 0.0005055200000000, -0.0028701600000000 ] - [ -0.0002176300000000, -0.0004809400000000, -0.0005261600000000 ] - [ -0.0024605000000000, 0.0017762500000000, 0.0029603200000000 ] - [ 0.0009037200000000, -0.0053051500000000, -0.0019737600000000 ] - [ -0.0002100000000000, 0.0004572600000000, -0.0004323800000000 ] - [ -0.0001340800000000, 0.0005589500000000, -0.0007681700000000 ] - [ 0.0008587900000000, 0.0006575300000000, 0.0006444900000000 ] - [ 0.0005706700000000, -0.0011218400000000, -0.0003315500000000 ] - [ 0.0002813500000000, -0.0007325400000000, -0.0006665900000000 ] - [ 0.0002494400000000, 0.0003636600000000, -0.0000367700000000 ] - [ 0.0004343400000000, -0.0025959500000000, 0.0023686700000000 ] - [ 0.0001654000000000, -0.0009107900000000, 0.0013163100000000 ] - [ 0.0510819300000000, 0.2107976400000000, 0.1340552100000000 ] - [ 0.0000907600000000, 0.0000518000000000, -0.0002278800000000 ] - [ 0.0000917900000000, -0.0000764000000000, -0.0001961200000000 ] - [ -0.0021631500000000, -0.0034512100000000, 0.0008078600000000 ] - [ 0.0003295900000000, -0.0004964100000000, -0.0005960500000000 ] - [ 0.0010393100000000, -0.0579097800000000, -0.0320978500000000 ] - [ -0.0008964000000000, -0.0046801000000000, -0.0009177600000000 ] - [ 0.0003304400000000, 0.0005566600000000, -0.0006098000000000 ] - [ -0.0135216200000000, 0.0123712100000000, -0.0177144500000000 ] - [ 0.0003820800000000, 0.0001980900000000, -0.0003704200000000 ] - [ 0.0095809900000000, -0.0152773700000000, -0.0192631100000000 ] - [ -0.0023629400000000, -0.0045445500000000, 0.0035706600000000 ] - [ -0.0005371400000000, -0.0002190900000000, -0.0005311300000000 ] - [ 0.0016425100000000, 0.0038845200000000, 0.0002846500000000 ] - [ 0.0002712200000000, -0.0021717400000000, 0.0008547100000000 ] - [ -0.0003389500000000, 0.0001451500000000, -0.0006583600000000 ] - [ -0.0042653700000000, 0.0026805700000000, 0.0069435700000000 ] - [ 0.0000929200000000, 0.0003021700000000, -0.0001790600000000 ] - [ 0.0001357000000000, -0.0004076100000000, -0.0001943000000000 ] - [ -0.0002301100000000, 0.0000254300000000, 0.0019726500000000 ] - [ -0.0000259500000000, -0.0004777500000000, -0.0001125900000000 ] - [ 0.0002402800000000, 0.0047927900000000, 0.0010476900000000 ] - [ 0.0023789400000000, -0.0062801800000000, 0.0026281900000000 ] - [ -0.0000135300000000, 0.0004536000000000, -0.0001467300000000 ] - [ -0.0006721200000000, -0.0006521100000000, 0.0000231700000000 ] - [ 0.0013059100000000, 0.0039730300000000, 0.0009471900000000 ] - [ 0.0019974600000000, -0.0052840000000000, -0.0009665500000000 ] - [ -0.0007757700000000, 0.0005062200000000, 0.0004131100000000 ] - [ -0.0002920500000000, 0.0001587600000000, -0.0002127300000000 ] - [ 0.0047059400000000, 0.0073133000000000, -0.0049745600000000 ] - [ -0.0081284700000000, -0.0007105900000000, -0.0041039900000000 ] - [ -0.0003229700000000, -0.0002483800000000, -0.0001286000000000 ] - [ 0.0003529600000000, 0.0001473100000000, 0.0006553900000000 ] - [ -0.0019573400000000, 0.0044973400000000, 0.0047296500000000 ] - [ 0.0025748100000000, 0.0011739400000000, 0.0015507500000000 ] - [ 0.0000202800000000, -0.0003619200000000, 0.0006418600000000 ] - [ 0.0000017500000000, 0.0005438600000000, -0.0011389500000000 ] - [ 0.0006383400000000, 0.0004577000000000, 0.0004726800000000 ] - [ -0.0020645800000000, -0.0027060600000000, -0.0001462200000000 ] - [ 0.0004295800000000, -0.0000233300000000, 0.0002010900000000 ] - [ 0.0040546100000000, 0.0017880600000000, -0.0049599100000000 ] - [ -0.0000551200000000, 0.0004081500000000, 0.0007791800000000 ] - [ 0.0000199000000000, -0.0002826200000000, 0.0007704200000000 ] - [ -0.0055273100000000, -0.0091448100000000, -0.0050428100000000 ] - [ -0.0006614800000000, 0.0019076900000000, 0.0017612500000000 ] - [ 0.0005427300000000, 0.0013229400000000, 0.0006528700000000 ] - [ 0.0001756400000000, -0.0011023600000000, 0.0008380700000000 ] - [ -0.0006344200000000, -0.0102243300000000, 0.0005469500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0033972000000000, -0.0025696500000000, -0.0007130300000000 ] - [ -0.0008815000000000, 0.0004616300000000, -0.0015939900000000 ] - [ -0.0010578400000000, 0.0023538900000000, 0.0022763500000000 ] - [ 0.0010227700000000, 0.0025296300000000, 0.0012173300000000 ] - [ -0.0006660500000000, -0.0000329700000000, -0.0021725900000000 ] - [ 0.0003658300000000, -0.0013212400000000, -0.0021206900000000 ] - [ 0.0001592600000000, -0.0003249200000000, -0.0023645600000000 ] - [ -0.0000134000000000, 0.0000921100000000, -0.0028529500000000 ] - [ -0.0024511300000000, -0.0056278500000000, 0.0007090300000000 ] - [ 0.0009273700000000, -0.0009436700000000, -0.0012370400000000 ] - [ 0.0004263900000000, -0.0007752900000000, 0.0017888200000000 ] - [ 0.0345992800000000, 0.0675063600000000, 0.1222716500000000 ] - [ 0.0007618400000000, 0.0009432500000000, -0.0015890700000000 ] - [ 0.0010230700000000, 0.0016962100000000, 0.0005944100000000 ] - [ 0.0005038800000000, -0.0005098700000000, -0.0016604000000000 ] - [ 0.0017065800000000, 0.0035011300000000, -0.0038579400000000 ] - [ -0.0001180500000000, 0.0000461100000000, 0.0017252100000000 ] - [ -0.0002346200000000, 0.0001299200000000, 0.0018630100000000 ] - [ -0.0001022000000000, 0.0000199400000000, 0.0021775000000000 ] - [ 0.0027068600000000, 0.0027494300000000, -0.0039861600000000 ] - [ 0.0001253600000000, -0.0005939500000000, 0.0014506600000000 ] - [ 0.0003866800000000, 0.0021074900000000, 0.0006020000000000 ] - [ -0.0003943200000000, 0.0003220600000000, 0.0029377600000000 ] - [ 0.0001565900000000, 0.0011077300000000, 0.0024907000000000 ] - [ -0.0004196300000000, 0.0027038400000000, 0.0016617100000000 ] - [ -0.0002795100000000, 0.0002406300000000, 0.0021784300000000 ] - [ -0.0056449600000000, -0.0016024100000000, -0.0016654300000000 ] - [ 0.0007291600000000, -0.0015061000000000, -0.0035319200000000 ] - [ -0.0002099200000000, -0.0002037100000000, 0.0017946100000000 ] - [ 0.0004109800000000, -0.0006887100000000, 0.0022110100000000 ] - [ -0.0033313000000000, -0.0020176900000000, 0.0001096500000000 ] - [ 0.0005336700000000, -0.0005789900000000, -0.0004888500000000 ] - [ -0.0000041000000000, -0.0001444100000000, 0.0012633300000000 ] - [ 0.0000504500000000, 0.0000103800000000, 0.0013097000000000 ] - [ 0.0008786800000000, -0.0053045800000000, -0.0006769200000000 ] - [ -0.0008413100000000, -0.0020190900000000, -0.0010395400000000 ] - [ -0.0587515200000000, -0.1278403500000000, -0.1915665800000000 ] - [ -0.0000076200000000, -0.0004320700000000, 0.0021590600000000 ] - [ -0.0000672000000000, 0.0004002300000000, 0.0018745600000000 ] - [ -0.0001163500000000, 0.0005876200000000, -0.0024941200000000 ] - [ 0.0004550900000000, -0.0005380500000000, 0.0013278500000000 ] - [ -0.0011672300000000, 0.0271398200000000, -0.0077569200000000 ] - [ 0.0005380700000000, 0.0003116000000000, -0.0029607600000000 ] - [ 0.0002300800000000, 0.0008329200000000, 0.0011789000000000 ] - [ 0.0402371100000000, 0.0188847700000000, 0.0342417600000000 ] - [ -0.0001188500000000, -0.0000715900000000, 0.0019208000000000 ] - [ -0.0070717800000000, 0.0156974800000000, 0.0068308100000000 ] - [ -0.0004105800000000, 0.0009181500000000, -0.0024393400000000 ] - [ 0.0007438600000000, -0.0020834100000000, 0.0079805600000000 ] - [ -0.0005687900000000, 0.0005695700000000, 0.0013431100000000 ] - [ 0.0001235500000000, -0.0001745700000000, 0.0003668000000000 ] - [ -0.0007154000000000, 0.0010194700000000, 0.0010710900000000 ] - [ -0.0057109500000000, -0.0038189300000000, 0.0033762900000000 ] - [ 0.0003117800000000, -0.0015110700000000, 0.0020290000000000 ] - [ 0.0001997700000000, -0.0002153400000000, 0.0016414600000000 ] - [ 0.0010230800000000, -0.0017317600000000, -0.0011983600000000 ] - [ -0.0017232900000000, -0.0010691900000000, 0.0032122800000000 ] - [ -0.0007794800000000, 0.0006405500000000, -0.0026539900000000 ] - [ -0.0004630100000000, -0.0003010200000000, -0.0020643100000000 ] - [ -0.0006805000000000, 0.0006086500000000, 0.0019566600000000 ] - [ -0.0008831000000000, -0.0007525100000000, 0.0021023200000000 ] - [ 0.0074662600000000, 0.0012400300000000, 0.0033540500000000 ] - [ -0.0010456000000000, 0.0025857100000000, 0.0005661400000000 ] - [ -0.0008723700000000, 0.0009534400000000, 0.0016150800000000 ] - [ -0.0002928600000000, 0.0001592800000000, -0.0028104300000000 ] - [ -0.0007953300000000, -0.0013922200000000, 0.0063139300000000 ] - [ -0.0006229900000000, 0.0031134800000000, 0.0089337600000000 ] - [ -0.0002182900000000, -0.0002535400000000, -0.0032121900000000 ] - [ -0.0004345200000000, -0.0009445200000000, -0.0022987300000000 ] - [ 0.0011840700000000, -0.0029247000000000, -0.0024932200000000 ] - [ -0.0034602100000000, -0.0034230000000000, -0.0024689600000000 ] - [ 0.0010631900000000, -0.0005906800000000, -0.0027786600000000 ] - [ -0.0002516200000000, 0.0012817400000000, -0.0006319000000000 ] - [ 0.0006028000000000, 0.0003367900000000, -0.0012391300000000 ] - [ 0.0002170700000000, 0.0026877800000000, -0.0056410600000000 ] - [ 0.0000943700000000, 0.0013012900000000, -0.0018458400000000 ] - [ -0.0000366100000000, 0.0005805900000000, 0.0152776900000000 ] - [ -0.0000960900000000, 0.0006392300000000, -0.0037581700000000 ] - [ 0.0002179400000000, -0.0001078200000000, -0.0038101400000000 ] - [ -0.0017272900000000, 0.0044481700000000, 0.0195214000000000 ] - [ 0.0006249800000000, -0.0011696600000000, 0.0020853300000000 ] - [ 0.0001666500000000, 0.0005456500000000, -0.0024930900000000 ] - [ 0.0002862400000000, -0.0009131500000000, -0.0036692300000000 ] - [ -0.0009185500000000, 0.0030184900000000, -0.0010773400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0030053200000000, 0.0017885600000000, 0.0002715600000000 ] - [ -0.0007690700000000, -0.0001822000000000, 0.0024352500000000 ] - [ 0.0026898600000000, -0.0026046900000000, -0.0013954500000000 ] - [ 0.0006359600000000, -0.0022389800000000, -0.0003072500000000 ] - [ -0.0009862500000000, -0.0002479900000000, 0.0030166000000000 ] - [ -0.0003442700000000, 0.0018453400000000, 0.0020294400000000 ] - [ -0.0001794600000000, -0.0001918700000000, 0.0022153900000000 ] - [ -0.0000051500000000, 0.0004264100000000, 0.0027030500000000 ] - [ 0.0024463700000000, 0.0050533100000000, -0.0008180400000000 ] - [ -0.0005816600000000, -0.0001257100000000, 0.0016739500000000 ] - [ -0.0007606300000000, 0.0018549200000000, -0.0013426500000000 ] - [ -0.0374081700000000, -0.0741679400000000, -0.1255466800000000 ] - [ -0.0004182700000000, 0.0001248800000000, 0.0020219200000000 ] - [ -0.0006306600000000, -0.0009169700000000, -0.0010288800000000 ] - [ -0.0009006100000000, -0.0002575900000000, 0.0012366200000000 ] - [ -0.0020895600000000, -0.0026994200000000, 0.0034078000000000 ] - [ 0.0006664800000000, -0.0001163300000000, -0.0017889600000000 ] - [ -0.0002554300000000, 0.0006399600000000, -0.0027894800000000 ] - [ -0.0003882500000000, -0.0007908500000000, -0.0031034000000000 ] - [ -0.0021978100000000, -0.0019540100000000, 0.0029973900000000 ] - [ -0.0000146400000000, -0.0000290500000000, -0.0015160300000000 ] - [ -0.0002537700000000, -0.0015120700000000, -0.0001194800000000 ] - [ 0.0002658100000000, -0.0009049400000000, -0.0024314800000000 ] - [ -0.0002934000000000, -0.0005302000000000, -0.0019875900000000 ] - [ 0.0005414000000000, -0.0032352300000000, -0.0011832800000000 ] - [ -0.0002094700000000, -0.0011010500000000, -0.0024844100000000 ] - [ 0.0061153000000000, 0.0024747900000000, 0.0012770500000000 ] - [ -0.0002314400000000, 0.0006169700000000, 0.0031711300000000 ] - [ -0.0002792000000000, 0.0010647200000000, -0.0020996900000000 ] - [ -0.0002325900000000, 0.0006456900000000, -0.0028556200000000 ] - [ 0.0030971700000000, 0.0020279800000000, -0.0007765800000000 ] - [ -0.0007051400000000, 0.0005291500000000, -0.0001751700000000 ] - [ 0.0001830200000000, 0.0001918400000000, -0.0019031000000000 ] - [ 0.0000590800000000, 0.0006152000000000, -0.0013745900000000 ] - [ -0.0009766200000000, 0.0046242200000000, 0.0005950800000000 ] - [ 0.0007255500000000, 0.0026295900000000, 0.0009459800000000 ] - [ 0.0620730500000000, 0.1336889800000000, 0.1946900200000000 ] - [ 0.0001250200000000, 0.0002966100000000, -0.0018696000000000 ] - [ 0.0001840800000000, -0.0002648800000000, -0.0015868800000000 ] - [ -0.0000092300000000, -0.0007395800000000, 0.0027561200000000 ] - [ 0.0002257700000000, -0.0006708000000000, -0.0018887500000000 ] - [ 0.0004968400000000, -0.0258310000000000, 0.0074087600000000 ] - [ -0.0012220000000000, -0.0015345400000000, 0.0023864700000000 ] - [ 0.0004479100000000, 0.0003810600000000, -0.0017418600000000 ] - [ -0.0415051500000000, -0.0192986600000000, -0.0346822400000000 ] - [ 0.0006678200000000, 0.0001419400000000, -0.0019827500000000 ] - [ 0.0074610500000000, -0.0162903000000000, -0.0078192000000000 ] - [ -0.0001520700000000, -0.0008525000000000, 0.0023793000000000 ] - [ -0.0015540600000000, 0.0010750400000000, -0.0079779900000000 ] - [ 0.0014028000000000, 0.0004364300000000, -0.0014194100000000 ] - [ 0.0007164200000000, -0.0008313300000000, -0.0004458800000000 ] - [ -0.0001219500000000, -0.0000171900000000, -0.0011667300000000 ] - [ 0.0054179600000000, 0.0035308600000000, -0.0033451900000000 ] - [ 0.0000313200000000, 0.0018311500000000, -0.0019597500000000 ] - [ 0.0001417000000000, -0.0001254700000000, -0.0015772200000000 ] - [ -0.0013616000000000, 0.0020640300000000, 0.0012733400000000 ] - [ 0.0013922500000000, -0.0001183600000000, -0.0026393900000000 ] - [ 0.0010913400000000, 0.0005592300000000, 0.0032230900000000 ] - [ 0.0007913000000000, -0.0008849400000000, 0.0026199500000000 ] - [ 0.0003626400000000, 0.0005738800000000, -0.0013987500000000 ] - [ -0.0007519500000000, -0.0011432800000000, -0.0013421400000000 ] - [ -0.0057366400000000, 0.0006568200000000, -0.0025743600000000 ] - [ 0.0026706800000000, -0.0044659300000000, 0.0001762600000000 ] - [ -0.0007621500000000, 0.0009424600000000, -0.0008550300000000 ] - [ -0.0003072100000000, 0.0001575600000000, 0.0016393900000000 ] - [ 0.0013842400000000, 0.0010696700000000, -0.0074294300000000 ] - [ 0.0012551100000000, -0.0028062400000000, -0.0100305400000000 ] - [ -0.0003816700000000, -0.0000658700000000, 0.0020377900000000 ] - [ 0.0007954000000000, 0.0008876500000000, 0.0019820800000000 ] - [ -0.0015464000000000, 0.0029695300000000, 0.0021566400000000 ] - [ 0.0030907800000000, 0.0033781400000000, 0.0021525300000000 ] - [ -0.0006836700000000, 0.0006277800000000, 0.0024543700000000 ] - [ -0.0006701400000000, -0.0009417800000000, 0.0013847600000000 ] - [ 0.0003220400000000, -0.0006677300000000, 0.0020053700000000 ] - [ -0.0011423200000000, -0.0030346500000000, 0.0064021800000000 ] - [ 0.0008225900000000, -0.0009489600000000, 0.0026066500000000 ] - [ 0.0001056200000000, -0.0011226500000000, -0.0150942800000000 ] - [ 0.0000590200000000, -0.0000797900000000, 0.0038736900000000 ] - [ -0.0002508000000000, -0.0004422000000000, 0.0039260600000000 ] - [ 0.0016514200000000, -0.0038897200000000, -0.0193640300000000 ] - [ -0.0010795700000000, -0.0002713000000000, -0.0016448000000000 ] - [ 0.0002941800000000, 0.0008990400000000, 0.0028818700000000 ] - [ 0.0001763600000000, -0.0005302000000000, 0.0040598200000000 ] - [ 0.0002727100000000, -0.0016444000000000, 0.0023892800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002409000000000, -0.0003954500000000, -0.0001551600000000 ] - [ 0.0000344900000000, -0.0001834900000000, 0.0015842300000000 ] - [ 0.0007049500000000, -0.0001357100000000, 0.0001729600000000 ] - [ 0.0008325900000000, 0.0000040200000000, 0.0008934100000000 ] - [ -0.0022496100000000, -0.0017464000000000, -0.0000849000000000 ] - [ -0.0001106100000000, 0.0006097900000000, -0.0003826600000000 ] - [ 0.0007202400000000, -0.0011239500000000, -0.0002255500000000 ] - [ -0.0008475800000000, -0.0013211400000000, -0.0004027300000000 ] - [ -0.0000010000000000, -0.0002158800000000, 0.0001518000000000 ] - [ -0.0018154800000000, 0.0006259300000000, 0.0019547700000000 ] - [ -0.0001367100000000, 0.0005300700000000, 0.0002661600000000 ] - [ -0.0001648700000000, -0.0006109900000000, 0.0002493500000000 ] - [ 0.0842757000000000, -0.0749670900000000, -0.0038707100000000 ] - [ 0.0002203100000000, 0.0004535600000000, -0.0001621200000000 ] - [ -0.0000433600000000, 0.0004185200000000, 0.0002517400000000 ] - [ -0.0000032600000000, -0.0040881700000000, -0.0003108000000000 ] - [ 0.0019962100000000, -0.0020722100000000, -0.0004028000000000 ] - [ -0.0008442000000000, 0.0009893900000000, -0.0005179700000000 ] - [ 0.0005162600000000, 0.0001868800000000, 0.0002468600000000 ] - [ 0.0003019300000000, 0.0003888500000000, -0.0007711100000000 ] - [ 0.0026280100000000, -0.0012607600000000, -0.0015757400000000 ] - [ -0.0008267000000000, 0.0009791000000000, -0.0002474100000000 ] - [ 0.0002896100000000, 0.0001994900000000, 0.0000634100000000 ] - [ -0.0004472600000000, 0.0008117400000000, 0.0006787200000000 ] - [ 0.0010329600000000, -0.0002912100000000, 0.0005919700000000 ] - [ 0.0030065400000000, -0.0001472400000000, 0.0014009200000000 ] - [ 0.0004049000000000, 0.0006405700000000, -0.0004547600000000 ] - [ 0.0001671400000000, -0.0003931500000000, -0.0000968900000000 ] - [ -0.0011512000000000, -0.0015590900000000, -0.0016568800000000 ] - [ 0.0002407300000000, 0.0004963300000000, -0.0001035700000000 ] - [ 0.0008534200000000, -0.0000371200000000, -0.0009426000000000 ] - [ -0.0004646800000000, -0.0012388700000000, 0.0003310000000000 ] - [ 0.0000887000000000, 0.0000766000000000, -0.0008070600000000 ] - [ -0.0017952800000000, 0.0000335200000000, -0.0000607800000000 ] - [ 0.0000063400000000, -0.0003489800000000, 0.0000444000000000 ] - [ 0.0000943100000000, 0.0002755500000000, -0.0004101800000000 ] - [ -0.0001201700000000, 0.0000766900000000, 0.0002554200000000 ] - [ -0.0162909300000000, -0.0012160800000000, 0.0009032800000000 ] - [ 0.0016436200000000, -0.0004802000000000, -0.0007412400000000 ] - [ -0.0000387600000000, -0.0000764900000000, 0.0000320000000000 ] - [ -0.1216980800000000, 0.1022573600000000, 0.0178368500000000 ] - [ -0.0003661500000000, 0.0006476300000000, -0.0003230000000000 ] - [ -0.0003308200000000, -0.0006087600000000, -0.0003436200000000 ] - [ 0.0064919400000000, -0.0005650600000000, 0.0005540900000000 ] - [ -0.0002290600000000, 0.0000050400000000, -0.0001298200000000 ] - [ 0.0178673700000000, -0.0399889300000000, -0.0188653600000000 ] - [ 0.0002416400000000, -0.0004941400000000, -0.0002954000000000 ] - [ -0.0003252100000000, 0.0000162000000000, -0.0000576500000000 ] - [ 0.0010232100000000, 0.0028457600000000, 0.0041096600000000 ] - [ 0.0002690900000000, 0.0005461300000000, -0.0000510500000000 ] - [ 0.0005186900000000, -0.0005432000000000, -0.0000583300000000 ] - [ -0.0006573100000000, 0.0003429300000000, -0.0013090500000000 ] - [ -0.0002742900000000, -0.0001740100000000, -0.0000280100000000 ] - [ -0.0015487100000000, 0.0013111900000000, -0.0005052300000000 ] - [ 0.0012904800000000, -0.0026263300000000, -0.0001969700000000 ] - [ -0.0001024000000000, 0.0001327800000000, -0.0000864600000000 ] - [ 0.0038976400000000, 0.0029729500000000, 0.0016640900000000 ] - [ 0.0001347300000000, 0.0006072900000000, 0.0001897900000000 ] - [ 0.0001421500000000, -0.0006193300000000, 0.0002433700000000 ] - [ -0.0021410200000000, 0.0020831300000000, -0.0004011200000000 ] - [ -0.0014748000000000, 0.0011511900000000, -0.0014819100000000 ] - [ 0.0004098800000000, 0.0012018600000000, 0.0000847100000000 ] - [ 0.0010565600000000, -0.0012149800000000, 0.0003722000000000 ] - [ -0.0005422600000000, 0.0025749800000000, 0.0028542200000000 ] - [ 0.0111143000000000, 0.0069260300000000, 0.0047214200000000 ] - [ 0.0002183200000000, -0.0001253300000000, -0.0004985500000000 ] - [ 0.0003867700000000, 0.0001568000000000, -0.0004224700000000 ] - [ 0.0152912500000000, 0.0033195800000000, -0.0081081600000000 ] - [ 0.0056162500000000, -0.0007826000000000, 0.0028144100000000 ] - [ -0.0000562300000000, 0.0000249600000000, -0.0000922000000000 ] - [ -0.0003159400000000, -0.0001009400000000, -0.0001637700000000 ] - [ -0.0066459800000000, -0.0014770400000000, 0.0025008800000000 ] - [ -0.0004507100000000, 0.0004384200000000, 0.0002595900000000 ] - [ -0.0005725700000000, 0.0000070500000000, 0.0002646300000000 ] - [ -0.0004489900000000, -0.0000954000000000, 0.0009412300000000 ] - [ 0.0030622500000000, 0.0014000500000000, 0.0038329400000000 ] - [ 0.0001454700000000, -0.0002543600000000, 0.0001568000000000 ] - [ 0.0017778500000000, 0.0015431500000000, -0.0000251000000000 ] - [ -0.0055707600000000, 0.0028049900000000, -0.0047596000000000 ] - [ -0.0001178100000000, 0.0002451700000000, 0.0002011800000000 ] - [ 0.0001516000000000, -0.0006173400000000, 0.0005860600000000 ] - [ -0.0012424900000000, 0.0013510900000000, -0.0000036500000000 ] - [ 0.0015717500000000, -0.0010064100000000, -0.0006370100000000 ] - [ -0.0005157900000000, 0.0004935200000000, -0.0010334000000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001582500000000, -0.0003731100000000, -0.0002670300000000 ] - [ -0.0016926200000000, 0.0004678000000000, -0.0007393100000000 ] - [ 0.0009439000000000, -0.0001423400000000, 0.0006752900000000 ] - [ 0.0008193200000000, 0.0002758200000000, -0.0000410100000000 ] - [ 0.0006165200000000, 0.0014878400000000, 0.0009211400000000 ] - [ 0.0001294400000000, -0.0000885900000000, 0.0002384200000000 ] - [ -0.0007310400000000, 0.0005820600000000, 0.0001060700000000 ] - [ 0.0008342500000000, 0.0018573900000000, 0.0002720600000000 ] - [ 0.0000185800000000, -0.0003053200000000, -0.0002966500000000 ] - [ 0.0021453700000000, -0.0017437000000000, -0.0015055700000000 ] - [ -0.0002067500000000, 0.0005366300000000, 0.0001745600000000 ] - [ -0.0001794100000000, -0.0004556000000000, 0.0001914900000000 ] - [ -0.0843396400000000, 0.0741117100000000, 0.0042199000000000 ] - [ 0.0001764600000000, 0.0003180600000000, -0.0002633200000000 ] - [ -0.0003485400000000, -0.0011962100000000, -0.0006761300000000 ] - [ -0.0004194900000000, 0.0048814400000000, -0.0000784600000000 ] - [ -0.0014308900000000, 0.0020289000000000, 0.0003134400000000 ] - [ 0.0003389800000000, -0.0001859300000000, -0.0004577900000000 ] - [ -0.0010032400000000, -0.0009635000000000, -0.0011981700000000 ] - [ 0.0001892600000000, 0.0003824600000000, -0.0001611500000000 ] - [ -0.0025418000000000, 0.0006471100000000, 0.0015366900000000 ] - [ 0.0009534800000000, -0.0004021200000000, 0.0007515700000000 ] - [ -0.0004234200000000, -0.0007812000000000, 0.0004321900000000 ] - [ 0.0003141300000000, -0.0002258300000000, -0.0001910900000000 ] - [ -0.0008918000000000, -0.0002839900000000, -0.0000899400000000 ] - [ -0.0035284900000000, -0.0007456100000000, -0.0017143100000000 ] - [ 0.0000840600000000, 0.0002230400000000, 0.0001403500000000 ] - [ 0.0003221300000000, -0.0004698500000000, -0.0002156700000000 ] - [ 0.0006672300000000, 0.0024434400000000, 0.0013481800000000 ] - [ -0.0000724500000000, -0.0005503400000000, -0.0005403500000000 ] - [ -0.0010329800000000, 0.0000817400000000, 0.0002906200000000 ] - [ 0.0002835200000000, 0.0011879300000000, -0.0009752400000000 ] - [ 0.0000934100000000, -0.0000335600000000, 0.0001575300000000 ] - [ 0.0019077900000000, 0.0005793600000000, -0.0000215100000000 ] - [ -0.0001148500000000, -0.0002769900000000, -0.0001158200000000 ] - [ -0.0002049700000000, 0.0003484400000000, 0.0003385300000000 ] - [ 0.0000035000000000, 0.0000580400000000, 0.0000260700000000 ] - [ 0.0163479000000000, 0.0014950900000000, -0.0007612800000000 ] - [ -0.0015199000000000, 0.0006416400000000, 0.0010188400000000 ] - [ -0.0000784000000000, -0.0000579600000000, 0.0002497600000000 ] - [ 0.1234552900000000, -0.1016698500000000, -0.0189740000000000 ] - [ -0.0003124300000000, 0.0005639700000000, -0.0002447800000000 ] - [ -0.0003483500000000, -0.0006025900000000, -0.0002240100000000 ] - [ -0.0058204100000000, 0.0018123100000000, -0.0011413800000000 ] - [ -0.0003206600000000, -0.0000762800000000, 0.0000622800000000 ] - [ -0.0173519800000000, 0.0396306800000000, 0.0185254900000000 ] - [ 0.0002488400000000, -0.0002768300000000, -0.0006379600000000 ] - [ -0.0002246900000000, 0.0000550800000000, -0.0000106400000000 ] - [ -0.0018395000000000, -0.0038523800000000, -0.0042322700000000 ] - [ 0.0005690900000000, 0.0004533500000000, -0.0000462100000000 ] - [ 0.0003174400000000, -0.0004569800000000, -0.0000302600000000 ] - [ -0.0001849700000000, 0.0006615300000000, 0.0012110700000000 ] - [ -0.0000660500000000, -0.0001648400000000, 0.0000892400000000 ] - [ 0.0019060800000000, -0.0009752300000000, 0.0005693400000000 ] - [ -0.0009557100000000, 0.0022889800000000, 0.0002567500000000 ] - [ -0.0002390700000000, 0.0002050300000000, 0.0001491200000000 ] - [ -0.0042435400000000, -0.0042024600000000, -0.0011376700000000 ] - [ 0.0001819500000000, 0.0005754200000000, 0.0003645000000000 ] - [ 0.0001765900000000, -0.0005637000000000, 0.0003124600000000 ] - [ 0.0018133700000000, -0.0009100500000000, 0.0009432500000000 ] - [ -0.0001401600000000, -0.0030760600000000, 0.0022519100000000 ] - [ 0.0012261400000000, 0.0006967100000000, 0.0006699600000000 ] - [ 0.0005790900000000, -0.0006835900000000, 0.0003818100000000 ] - [ -0.0010978600000000, -0.0006478900000000, -0.0020830900000000 ] - [ -0.0114349600000000, -0.0062541900000000, -0.0055417600000000 ] - [ 0.0003820400000000, -0.0001920200000000, -0.0006648900000000 ] - [ 0.0002129500000000, 0.0001608700000000, -0.0007407300000000 ] - [ -0.0167585000000000, -0.0038046100000000, 0.0075899400000000 ] - [ -0.0052199400000000, 0.0007330200000000, -0.0030932600000000 ] - [ -0.0003131200000000, 0.0000208600000000, -0.0002215200000000 ] - [ -0.0000493400000000, 0.0000550500000000, -0.0001501400000000 ] - [ 0.0070289200000000, 0.0015446500000000, -0.0027787500000000 ] - [ -0.0004675200000000, -0.0000993500000000, 0.0005012400000000 ] - [ 0.0014932500000000, -0.0003469800000000, 0.0005084600000000 ] - [ -0.0004770600000000, -0.0002426800000000, -0.0001840900000000 ] - [ -0.0021417400000000, -0.0010731200000000, -0.0030830700000000 ] - [ -0.0001101200000000, -0.0002995100000000, -0.0000282400000000 ] - [ -0.0018606800000000, -0.0010575700000000, 0.0001593800000000 ] - [ 0.0056115600000000, -0.0033696100000000, 0.0049111300000000 ] - [ 0.0001541600000000, 0.0003093400000000, -0.0000729400000000 ] - [ -0.0006113400000000, -0.0008233900000000, -0.0001803700000000 ] - [ 0.0016982700000000, 0.0000717500000000, 0.0004072700000000 ] - [ -0.0011054700000000, -0.0004179600000000, 0.0011072200000000 ] - [ 0.0000533300000000, 0.0009469400000000, 0.0014372800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003517700000000, 0.0003706400000000, 0.0002395400000000 ] - [ -0.0010906800000000, 0.0010933400000000, -0.0028713800000000 ] - [ 0.0014428500000000, -0.0008447400000000, 0.0014452000000000 ] - [ 0.0005494900000000, -0.0002619500000000, -0.0004422400000000 ] - [ -0.0000853600000000, 0.0023222800000000, 0.0012521000000000 ] - [ 0.0000135000000000, -0.0001837800000000, 0.0010445600000000 ] - [ 0.0012607200000000, -0.0039005200000000, 0.0021921600000000 ] - [ -0.0004912500000000, -0.0000719300000000, 0.0015002100000000 ] - [ 0.0005948600000000, 0.0008347200000000, 0.0005146600000000 ] - [ 0.0019809400000000, -0.0027246700000000, -0.0016583900000000 ] - [ -0.0001956400000000, 0.0003091300000000, 0.0002922000000000 ] - [ -0.0001466600000000, -0.0005877300000000, 0.0003284700000000 ] - [ -0.0706561800000000, 0.2288394600000000, 0.0061239400000000 ] - [ 0.0002700200000000, 0.0005311800000000, -0.0002849900000000 ] - [ -0.0049830300000000, -0.0049762700000000, 0.0030563400000000 ] - [ -0.0003619700000000, 0.0000443300000000, -0.0032029100000000 ] - [ -0.0022804800000000, 0.0042182800000000, 0.0005682900000000 ] - [ -0.0009824500000000, 0.0056616100000000, -0.0047585000000000 ] - [ -0.0005889500000000, 0.0010377900000000, -0.0019134700000000 ] - [ 0.0001059300000000, 0.0001088500000000, -0.0007558900000000 ] - [ 0.0001575500000000, -0.0025545000000000, 0.0002988200000000 ] - [ 0.0013422300000000, -0.0017189600000000, -0.0005574600000000 ] - [ 0.0000904500000000, 0.0004751800000000, -0.0005215500000000 ] - [ -0.0004880500000000, 0.0016756400000000, -0.0005639300000000 ] - [ -0.0020737400000000, -0.0015437100000000, -0.0010437600000000 ] - [ -0.0015775500000000, -0.0035354200000000, -0.0020657500000000 ] - [ 0.0002786500000000, 0.0003181300000000, 0.0003055900000000 ] - [ 0.0001387800000000, -0.0003610200000000, -0.0006560100000000 ] - [ -0.0024272100000000, 0.0042129000000000, 0.0041138700000000 ] - [ -0.0006021400000000, -0.0008967800000000, -0.0009192500000000 ] - [ -0.0003837900000000, 0.0003786500000000, 0.0009896100000000 ] - [ 0.0000742900000000, 0.0024700000000000, -0.0020118200000000 ] - [ -0.0001894800000000, 0.0001436700000000, 0.0014183300000000 ] - [ -0.0000546400000000, -0.0022712600000000, 0.0025491300000000 ] - [ -0.0004238200000000, 0.0005161400000000, -0.0001128500000000 ] - [ -0.0000197100000000, 0.0010646500000000, 0.0003421200000000 ] - [ -0.0001056100000000, -0.0000433400000000, 0.0002058600000000 ] - [ -0.0065690000000000, 0.0573920400000000, -0.0260593200000000 ] - [ 0.0003650100000000, 0.0041484900000000, 0.0010624900000000 ] - [ -0.0000239200000000, -0.0000191700000000, -0.0000875400000000 ] - [ 0.0981732700000000, -0.3386930300000000, 0.0041961300000000 ] - [ -0.0002979600000000, 0.0007163800000000, -0.0003867100000000 ] - [ -0.0003365800000000, -0.0004045700000000, -0.0003491900000000 ] - [ 0.0015295800000000, -0.0001964100000000, -0.0008323900000000 ] - [ -0.0003012600000000, -0.0001067900000000, -0.0001516700000000 ] - [ -0.0335953400000000, 0.0233970200000000, 0.0184790700000000 ] - [ 0.0003524400000000, -0.0006685600000000, -0.0011015400000000 ] - [ -0.0002858000000000, 0.0001612100000000, -0.0000749700000000 ] - [ 0.0003765600000000, -0.0021872000000000, 0.0026214000000000 ] - [ 0.0006758400000000, 0.0001283600000000, -0.0013796600000000 ] - [ 0.0003928100000000, -0.0003877700000000, 0.0002165200000000 ] - [ 0.0015036000000000, 0.0021931800000000, -0.0014197500000000 ] - [ -0.0001441900000000, -0.0006727200000000, 0.0000102400000000 ] - [ 0.0014106900000000, 0.0021908400000000, 0.0016686600000000 ] - [ 0.0017939300000000, 0.0062104100000000, 0.0004769000000000 ] - [ -0.0001189400000000, -0.0000123800000000, 0.0000340900000000 ] - [ -0.0017542800000000, -0.0015474900000000, 0.0013195700000000 ] - [ -0.0000114700000000, 0.0004067100000000, -0.0000207100000000 ] - [ 0.0001483300000000, -0.0005742700000000, 0.0002679500000000 ] - [ 0.0023351700000000, 0.0119470300000000, -0.0021468300000000 ] - [ 0.0005011400000000, -0.0018165000000000, -0.0005466900000000 ] - [ 0.0005936500000000, 0.0001547500000000, 0.0008269700000000 ] - [ 0.0008499700000000, -0.0005523500000000, 0.0000811900000000 ] - [ -0.0016208900000000, 0.0049266600000000, 0.0024205400000000 ] - [ 0.0045053600000000, 0.0080683100000000, 0.0019485600000000 ] - [ 0.0003857300000000, -0.0003956300000000, -0.0004648100000000 ] - [ 0.0002189700000000, 0.0000178300000000, -0.0005804700000000 ] - [ 0.0044084700000000, 0.0088165000000000, -0.0045140200000000 ] - [ -0.0012145600000000, 0.0084315400000000, -0.0057126700000000 ] - [ -0.0002772400000000, -0.0005155700000000, -0.0000423900000000 ] - [ -0.0000537000000000, -0.0002589400000000, 0.0002366500000000 ] - [ 0.0017844600000000, 0.0061046000000000, -0.0012698600000000 ] - [ -0.0007273800000000, 0.0004147200000000, -0.0002397300000000 ] - [ 0.0007681000000000, -0.0023562600000000, 0.0003441900000000 ] - [ -0.0002766100000000, 0.0005269200000000, 0.0004056000000000 ] - [ -0.0008075300000000, -0.0029570500000000, -0.0043198900000000 ] - [ -0.0000187200000000, -0.0000349300000000, 0.0003774700000000 ] - [ -0.0027010500000000, -0.0150063300000000, -0.0026626400000000 ] - [ 0.0089465500000000, -0.0091820500000000, 0.0036862600000000 ] - [ 0.0000649900000000, 0.0006783200000000, 0.0002680500000000 ] - [ -0.0007754400000000, -0.0012043200000000, 0.0018204500000000 ] - [ 0.0007036100000000, -0.0013566000000000, -0.0007904700000000 ] - [ 0.0008119600000000, 0.0022353000000000, 0.0088545900000000 ] - [ -0.0001319600000000, 0.0016898300000000, -0.0009104500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000439400000000, -0.0011376800000000, -0.0006597800000000 ] - [ -0.0005814500000000, -0.0007685900000000, 0.0037349800000000 ] - [ 0.0002097500000000, 0.0005590900000000, -0.0005737700000000 ] - [ 0.0011025900000000, 0.0005433100000000, 0.0013123800000000 ] - [ -0.0015697900000000, -0.0026038900000000, -0.0003663600000000 ] - [ 0.0000032600000000, 0.0007013200000000, -0.0011567200000000 ] - [ -0.0012830100000000, 0.0033978900000000, -0.0023269500000000 ] - [ 0.0004683000000000, 0.0005700800000000, -0.0016257600000000 ] - [ -0.0005770700000000, -0.0013508500000000, -0.0006289500000000 ] - [ -0.0016145000000000, 0.0016668300000000, 0.0020804900000000 ] - [ -0.0001538600000000, 0.0007815300000000, 0.0001341900000000 ] - [ -0.0002025500000000, -0.0005051200000000, 0.0000971100000000 ] - [ 0.0785683200000000, -0.2438235200000000, -0.0063858900000000 ] - [ 0.0001273900000000, 0.0002329200000000, -0.0001338300000000 ] - [ 0.0045686700000000, 0.0042230100000000, -0.0034532000000000 ] - [ -0.0000351900000000, 0.0006649200000000, 0.0028012800000000 ] - [ 0.0027873300000000, -0.0043022900000000, -0.0006417100000000 ] - [ 0.0005013100000000, -0.0049195900000000, 0.0038480100000000 ] - [ 0.0000915900000000, -0.0018037300000000, 0.0009771100000000 ] - [ 0.0003865300000000, 0.0006636700000000, -0.0001950700000000 ] - [ -0.0000310200000000, 0.0019120700000000, -0.0003823700000000 ] - [ -0.0012179000000000, 0.0022799300000000, 0.0010348500000000 ] - [ -0.0002109200000000, -0.0010359000000000, 0.0009986600000000 ] - [ 0.0003645800000000, -0.0011123300000000, 0.0010490000000000 ] - [ 0.0021927700000000, 0.0009736500000000, 0.0015167900000000 ] - [ 0.0010991700000000, 0.0026977900000000, 0.0017252000000000 ] - [ 0.0002106700000000, 0.0005450400000000, -0.0006325300000000 ] - [ 0.0003493900000000, -0.0005011900000000, 0.0003281600000000 ] - [ 0.0019284000000000, -0.0033611500000000, -0.0043983100000000 ] - [ 0.0007925800000000, 0.0008712800000000, 0.0002482300000000 ] - [ 0.0002043000000000, -0.0003454600000000, -0.0016546600000000 ] - [ -0.0002597800000000, -0.0025018500000000, 0.0013494900000000 ] - [ 0.0003826800000000, -0.0001260300000000, -0.0020833100000000 ] - [ 0.0001665200000000, 0.0028753200000000, -0.0026705600000000 ] - [ 0.0003111600000000, -0.0011419200000000, 0.0000391600000000 ] - [ -0.0000913700000000, -0.0004351300000000, -0.0004167500000000 ] - [ -0.0000016700000000, 0.0001880500000000, 0.0000840200000000 ] - [ 0.0068477100000000, -0.0585789200000000, 0.0269274700000000 ] - [ -0.0002640400000000, -0.0040217100000000, -0.0007729600000000 ] - [ -0.0000830000000000, -0.0001257000000000, 0.0003749300000000 ] - [ -0.1059270900000000, 0.3541565500000000, -0.0043501100000000 ] - [ -0.0003963100000000, 0.0005233100000000, -0.0001813200000000 ] - [ -0.0003571900000000, -0.0008347900000000, -0.0002192000000000 ] - [ -0.0008328100000000, 0.0013998100000000, 0.0002724300000000 ] - [ -0.0002307800000000, 0.0000274900000000, 0.0000912300000000 ] - [ 0.0345331300000000, -0.0233412400000000, -0.0187247800000000 ] - [ 0.0001403900000000, -0.0001068200000000, 0.0001490800000000 ] - [ -0.0002465000000000, -0.0000822100000000, 0.0000144400000000 ] - [ -0.0011905400000000, 0.0012198700000000, -0.0026858200000000 ] - [ 0.0001536900000000, 0.0008814500000000, 0.0012961800000000 ] - [ 0.0004398900000000, -0.0006210300000000, -0.0003075600000000 ] - [ -0.0023338000000000, -0.0011972000000000, 0.0013203300000000 ] - [ -0.0001866600000000, 0.0003161000000000, 0.0000427100000000 ] - [ -0.0010945700000000, -0.0018052800000000, -0.0016309000000000 ] - [ -0.0014532800000000, -0.0065636100000000, -0.0004346300000000 ] - [ -0.0002122700000000, 0.0003696800000000, 0.0000187500000000 ] - [ 0.0014735800000000, 0.0004020000000000, -0.0007690100000000 ] - [ 0.0003211400000000, 0.0007767300000000, 0.0005690600000000 ] - [ 0.0001603000000000, -0.0006094400000000, 0.0002794400000000 ] - [ -0.0026080100000000, -0.0106731600000000, 0.0026711600000000 ] - [ -0.0021583200000000, -0.0000668600000000, 0.0012899200000000 ] - [ 0.0010511200000000, 0.0017522600000000, -0.0000740100000000 ] - [ 0.0007983900000000, -0.0013559400000000, 0.0006703900000000 ] - [ -0.0000263300000000, -0.0030351600000000, -0.0016645200000000 ] - [ -0.0047643100000000, -0.0075460400000000, -0.0028415400000000 ] - [ 0.0002136700000000, 0.0000802200000000, -0.0006937800000000 ] - [ 0.0003804700000000, 0.0002964000000000, -0.0005785500000000 ] - [ -0.0050015700000000, -0.0090822000000000, 0.0033406100000000 ] - [ 0.0015226400000000, -0.0083576300000000, 0.0050549900000000 ] - [ -0.0000908100000000, 0.0005644600000000, -0.0002636500000000 ] - [ -0.0003176200000000, 0.0002100500000000, -0.0005435500000000 ] - [ -0.0014116400000000, -0.0060652000000000, 0.0009496200000000 ] - [ -0.0001912200000000, -0.0000722500000000, 0.0010153700000000 ] - [ 0.0001508100000000, 0.0020147200000000, 0.0004312400000000 ] - [ -0.0006460400000000, -0.0008674300000000, 0.0003714500000000 ] - [ 0.0017370100000000, 0.0032881900000000, 0.0051002800000000 ] - [ 0.0000578300000000, -0.0005174300000000, -0.0002411000000000 ] - [ 0.0027052100000000, 0.0155874600000000, 0.0028048900000000 ] - [ -0.0090530400000000, 0.0086205400000000, -0.0035612700000000 ] - [ -0.0000268200000000, -0.0001251900000000, -0.0001320800000000 ] - [ 0.0003155700000000, -0.0002453200000000, -0.0013972100000000 ] - [ -0.0002509100000000, 0.0028188900000000, 0.0011963000000000 ] - [ -0.0003495600000000, -0.0037413000000000, -0.0084723400000000 ] - [ -0.0003286700000000, -0.0002386100000000, 0.0013150000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005912600000000, -0.0008008500000000, -0.0019800500000000 ] - [ 0.0013058100000000, -0.0032633200000000, -0.0014986900000000 ] - [ 0.0002816200000000, -0.0000786100000000, -0.0018358400000000 ] - [ 0.0008683900000000, 0.0000732200000000, -0.0008536200000000 ] - [ -0.0005290300000000, 0.0003036900000000, -0.0013209900000000 ] - [ -0.0003000600000000, 0.0010466300000000, -0.0026342100000000 ] - [ 0.0005959400000000, -0.0018413000000000, -0.0000794500000000 ] - [ 0.0005929800000000, 0.0020922600000000, 0.0000491300000000 ] - [ -0.0004061100000000, -0.0008961500000000, -0.0028983500000000 ] - [ -0.0021883300000000, -0.0011119400000000, 0.0034799700000000 ] - [ -0.0008346200000000, 0.0008024700000000, -0.0010824000000000 ] - [ -0.0008268100000000, -0.0008792900000000, -0.0010862700000000 ] - [ -0.0045995800000000, 0.0072939500000000, 0.0550552000000000 ] - [ -0.0004879200000000, 0.0007659300000000, -0.0018712900000000 ] - [ -0.0014669600000000, 0.0007732800000000, 0.0027730900000000 ] - [ -0.0022764200000000, -0.0043331100000000, 0.0048539200000000 ] - [ 0.0027562100000000, -0.0016146500000000, -0.0041981600000000 ] - [ 0.0004763200000000, 0.0002631300000000, -0.0010733900000000 ] - [ -0.0010544300000000, -0.0008577200000000, -0.0017700300000000 ] - [ 0.0002557700000000, 0.0000663000000000, 0.0019247600000000 ] - [ -0.0002178200000000, -0.0000050300000000, 0.0013816900000000 ] - [ -0.0011382600000000, 0.0009245900000000, 0.0032379400000000 ] - [ -0.0002392600000000, -0.0006530100000000, 0.0009595100000000 ] - [ -0.0002487000000000, 0.0004926600000000, 0.0012221200000000 ] - [ 0.0020974400000000, -0.0002471800000000, 0.0028521000000000 ] - [ 0.0000512300000000, -0.0024852700000000, 0.0001270700000000 ] - [ 0.0003479100000000, 0.0001017900000000, 0.0012483000000000 ] - [ 0.0002506800000000, 0.0000530100000000, 0.0016254300000000 ] - [ -0.0018529500000000, 0.0040066600000000, 0.0004885800000000 ] - [ 0.0001413800000000, -0.0004869400000000, 0.0011118800000000 ] - [ 0.0001815400000000, 0.0005679700000000, 0.0006615700000000 ] - [ -0.0002419400000000, -0.0023908100000000, 0.0023399900000000 ] - [ -0.0010117500000000, 0.0013774000000000, 0.0017179800000000 ] - [ -0.0003507100000000, 0.0022154300000000, 0.0060503800000000 ] - [ 0.0003858400000000, -0.0004282300000000, 0.0009162400000000 ] - [ -0.0001927800000000, 0.0002564700000000, 0.0006875400000000 ] - [ 0.0000166000000000, 0.0003724100000000, 0.0017454900000000 ] - [ 0.0024171300000000, -0.0315058100000000, -0.0075652500000000 ] - [ 0.0009419300000000, 0.0007102700000000, -0.0025331400000000 ] - [ 0.0000353500000000, -0.0003871400000000, 0.0015973400000000 ] - [ 0.0192286000000000, 0.0025349600000000, -0.0939550600000000 ] - [ -0.0003007200000000, 0.0007080400000000, 0.0008919600000000 ] - [ -0.0002800700000000, -0.0006693800000000, 0.0008633400000000 ] - [ 0.0011816700000000, 0.0011513900000000, -0.0045792200000000 ] - [ 0.0000615700000000, -0.0000356100000000, 0.0015632000000000 ] - [ -0.0213282900000000, 0.0256500200000000, -0.0071238300000000 ] - [ 0.0001737700000000, -0.0002714500000000, 0.0017142300000000 ] - [ 0.0000282400000000, 0.0000626700000000, 0.0016217400000000 ] - [ 0.0039237300000000, 0.0049034300000000, 0.0022330400000000 ] - [ 0.0005559700000000, 0.0008226400000000, 0.0018899500000000 ] - [ 0.0005945100000000, -0.0008277100000000, 0.0016237500000000 ] - [ -0.0013355100000000, -0.0014394700000000, -0.0010828500000000 ] - [ -0.0001809100000000, 0.0000736800000000, 0.0017852900000000 ] - [ -0.0005164500000000, 0.0022113800000000, -0.0033276200000000 ] - [ -0.0000258700000000, 0.0003007700000000, -0.0018383700000000 ] - [ -0.0000948100000000, -0.0000885500000000, 0.0016362900000000 ] - [ 0.0000608400000000, -0.0004453600000000, -0.0043587300000000 ] - [ 0.0008326800000000, 0.0006536900000000, 0.0019875400000000 ] - [ 0.0007722200000000, -0.0006505500000000, 0.0019519100000000 ] - [ 0.0001916100000000, -0.0004876700000000, -0.0047782200000000 ] - [ -0.0013537700000000, -0.0025138300000000, 0.0014917300000000 ] - [ 0.0008493500000000, 0.0014393500000000, 0.0014946300000000 ] - [ 0.0009954500000000, -0.0015826300000000, 0.0011793200000000 ] - [ -0.0007045700000000, 0.0025624800000000, 0.0020058100000000 ] - [ 0.0057988200000000, 0.0047186800000000, 0.0109058400000000 ] - [ 0.0002153900000000, -0.0001517500000000, -0.0023281400000000 ] - [ 0.0003222500000000, 0.0001227100000000, -0.0024028400000000 ] - [ -0.0092237000000000, -0.0025684800000000, 0.0121332300000000 ] - [ 0.0040979500000000, -0.0080063100000000, 0.0212987200000000 ] - [ -0.0000945200000000, -0.0001358300000000, -0.0021139000000000 ] - [ -0.0002583000000000, 0.0000529800000000, -0.0020432900000000 ] - [ 0.0025785100000000, 0.0009007200000000, 0.0004977200000000 ] - [ -0.0009336300000000, -0.0001004700000000, -0.0023066600000000 ] - [ 0.0001400500000000, 0.0001421000000000, 0.0011849500000000 ] - [ -0.0001818200000000, 0.0000725300000000, -0.0020866600000000 ] - [ 0.0003093200000000, -0.0018454800000000, -0.0002811300000000 ] - [ 0.0000066500000000, -0.0003213200000000, -0.0032073700000000 ] - [ 0.0017259300000000, 0.0017272100000000, 0.0063567100000000 ] - [ -0.0005822700000000, -0.0015001900000000, 0.0080212900000000 ] - [ -0.0000198300000000, 0.0003055300000000, -0.0030981500000000 ] - [ 0.0006166000000000, 0.0001063600000000, -0.0022272000000000 ] - [ 0.0004674900000000, -0.0008465500000000, -0.0003808500000000 ] - [ -0.0006217400000000, 0.0028195900000000, -0.0035733500000000 ] - [ -0.0006367500000000, 0.0001525200000000, -0.0030648300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009930700000000, 0.0000370900000000, 0.0015660800000000 ] - [ -0.0029387300000000, 0.0035134100000000, 0.0023559700000000 ] - [ 0.0013794000000000, -0.0002078700000000, 0.0027067000000000 ] - [ 0.0007809600000000, 0.0002048000000000, 0.0017020000000000 ] - [ -0.0011213700000000, -0.0005715900000000, 0.0021812400000000 ] - [ 0.0003221000000000, -0.0005359800000000, 0.0025132900000000 ] - [ -0.0006110500000000, 0.0013075200000000, -0.0000375100000000 ] - [ -0.0006159300000000, -0.0015750800000000, -0.0001719800000000 ] - [ 0.0004314600000000, 0.0003890700000000, 0.0027741000000000 ] - [ 0.0025482200000000, 0.0000473400000000, -0.0030521000000000 ] - [ 0.0004931100000000, 0.0002629900000000, 0.0015286300000000 ] - [ 0.0004864100000000, -0.0001879800000000, 0.0015331800000000 ] - [ 0.0044251400000000, -0.0049204600000000, -0.0544295600000000 ] - [ 0.0008894900000000, 0.0000036900000000, 0.0014546100000000 ] - [ 0.0010607000000000, -0.0015762800000000, -0.0032087100000000 ] - [ 0.0018829800000000, 0.0051168500000000, -0.0053230000000000 ] - [ -0.0022301700000000, 0.0015692200000000, 0.0041503400000000 ] - [ -0.0009742100000000, 0.0005407600000000, 0.0001026200000000 ] - [ 0.0005648400000000, 0.0000927300000000, 0.0008191400000000 ] - [ 0.0002334400000000, 0.0007035700000000, -0.0028701900000000 ] - [ 0.0003295800000000, -0.0006299200000000, -0.0014553300000000 ] - [ 0.0012872100000000, -0.0003640300000000, -0.0027543900000000 ] - [ 0.0001096800000000, 0.0000783300000000, -0.0004728200000000 ] - [ 0.0001181500000000, 0.0000902600000000, -0.0007374200000000 ] - [ -0.0019933900000000, -0.0003436300000000, -0.0023729100000000 ] - [ -0.0005468300000000, 0.0015991100000000, -0.0004545900000000 ] - [ 0.0001397300000000, 0.0007592000000000, -0.0015611800000000 ] - [ 0.0002370700000000, -0.0009162400000000, -0.0019498400000000 ] - [ 0.0013549000000000, -0.0031230400000000, -0.0008047700000000 ] - [ 0.0000338500000000, 0.0004385700000000, -0.0017717200000000 ] - [ -0.0003671400000000, -0.0005242000000000, -0.0013031200000000 ] - [ 0.0000694600000000, 0.0023868900000000, -0.0030228600000000 ] - [ 0.0011805300000000, -0.0013229900000000, -0.0023664200000000 ] - [ 0.0004590500000000, -0.0015689300000000, -0.0060369200000000 ] - [ -0.0005017300000000, -0.0001888100000000, -0.0009917100000000 ] - [ 0.0000836600000000, 0.0003739500000000, -0.0007566000000000 ] - [ -0.0001343900000000, -0.0002425100000000, -0.0014712000000000 ] - [ -0.0023506500000000, 0.0314277100000000, 0.0076006400000000 ] - [ -0.0008258400000000, -0.0005577500000000, 0.0028140800000000 ] - [ -0.0001526000000000, 0.0002567100000000, -0.0013235200000000 ] - [ -0.0175716000000000, -0.0060352200000000, 0.0938308800000000 ] - [ -0.0003784100000000, 0.0005041600000000, -0.0014646000000000 ] - [ -0.0003991500000000, -0.0005408700000000, -0.0014357100000000 ] - [ -0.0005144300000000, 0.0000481700000000, 0.0040057200000000 ] - [ -0.0006126200000000, -0.0000359100000000, -0.0016384500000000 ] - [ 0.0218942400000000, -0.0255386900000000, 0.0072887900000000 ] - [ 0.0003175900000000, -0.0005009600000000, -0.0026619900000000 ] - [ -0.0005788600000000, 0.0000093800000000, -0.0016965500000000 ] - [ -0.0047983000000000, -0.0059557800000000, -0.0023416700000000 ] - [ 0.0002817700000000, 0.0001745000000000, -0.0019961100000000 ] - [ 0.0002407800000000, -0.0001716400000000, -0.0017199400000000 ] - [ 0.0005140800000000, 0.0024597200000000, 0.0010045500000000 ] - [ -0.0001602600000000, -0.0004154700000000, -0.0017293500000000 ] - [ 0.0008693600000000, -0.0018695700000000, 0.0034061800000000 ] - [ 0.0003620100000000, -0.0006003600000000, 0.0019085800000000 ] - [ -0.0002462200000000, 0.0004261500000000, -0.0015810100000000 ] - [ -0.0003887000000000, -0.0007410400000000, 0.0049276200000000 ] - [ -0.0005191200000000, 0.0005284600000000, -0.0014411200000000 ] - [ -0.0004581600000000, -0.0005327400000000, -0.0014042900000000 ] - [ -0.0004971100000000, 0.0016785700000000, 0.0053405900000000 ] - [ -0.0002745500000000, 0.0006127800000000, -0.0007494000000000 ] - [ 0.0007846800000000, 0.0004461700000000, -0.0007405500000000 ] - [ 0.0006373600000000, -0.0003056400000000, -0.0004294800000000 ] - [ -0.0009370500000000, -0.0006538800000000, -0.0012562000000000 ] - [ -0.0061238500000000, -0.0041422300000000, -0.0119161500000000 ] - [ 0.0003867200000000, -0.0001672800000000, 0.0011729300000000 ] - [ 0.0002771100000000, 0.0001936400000000, 0.0012468700000000 ] - [ 0.0082224400000000, 0.0022246500000000, -0.0131666300000000 ] - [ -0.0040192300000000, 0.0086366800000000, -0.0225444000000000 ] - [ -0.0002736700000000, 0.0001788100000000, 0.0018103100000000 ] - [ -0.0001080400000000, -0.0001003000000000, 0.0017412500000000 ] - [ -0.0021865900000000, -0.0008143200000000, -0.0008417900000000 ] - [ 0.0000058800000000, 0.0004380200000000, 0.0030743300000000 ] - [ 0.0007941600000000, -0.0004985800000000, -0.0004260900000000 ] - [ -0.0007370700000000, -0.0004068200000000, 0.0028581900000000 ] - [ 0.0005931900000000, 0.0021680400000000, 0.0010028500000000 ] - [ 0.0000297100000000, -0.0002314100000000, 0.0033506800000000 ] - [ -0.0017938700000000, -0.0012559000000000, -0.0062389700000000 ] - [ 0.0006119300000000, 0.0008889600000000, -0.0078483600000000 ] - [ 0.0000571000000000, 0.0002517200000000, 0.0032400000000000 ] - [ -0.0010906200000000, -0.0015574900000000, 0.0026498400000000 ] - [ -0.0000044000000000, 0.0022782300000000, 0.0007938900000000 ] - [ 0.0010825600000000, -0.0042180400000000, 0.0040350800000000 ] - [ 0.0001790800000000, 0.0013008500000000, 0.0034774000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003388500000000, -0.0003525200000000, -0.0000685900000000 ] - [ -0.0007644300000000, 0.0001274700000000, 0.0003900600000000 ] - [ 0.0011540600000000, -0.0001200000000000, 0.0014229200000000 ] - [ -0.0004600500000000, -0.0017963800000000, -0.0031995500000000 ] - [ -0.0007908900000000, -0.0000533800000000, 0.0007636000000000 ] - [ -0.0009813400000000, 0.0008008100000000, -0.0010933100000000 ] - [ 0.0001325900000000, -0.0003870600000000, 0.0000147600000000 ] - [ 0.0000636700000000, 0.0005626300000000, 0.0006106500000000 ] - [ -0.0014617700000000, -0.0023092800000000, 0.0018232900000000 ] - [ 0.0014405200000000, 0.0009311000000000, -0.0006866500000000 ] - [ -0.0000732600000000, 0.0004811000000000, 0.0004039400000000 ] - [ -0.0002815400000000, -0.0011295400000000, 0.0000725700000000 ] - [ -0.0010995600000000, 0.0028612600000000, -0.0042491000000000 ] - [ 0.0002722100000000, 0.0003813700000000, -0.0000364300000000 ] - [ -0.0004624900000000, -0.0000446500000000, 0.0001600900000000 ] - [ 0.0646023000000000, 0.0342142500000000, -0.0370825000000000 ] - [ -0.0012429300000000, -0.0006983900000000, 0.0009399800000000 ] - [ 0.0003411600000000, 0.0007231800000000, -0.0007325900000000 ] - [ -0.0005361400000000, 0.0005054200000000, -0.0016568100000000 ] - [ 0.0004660000000000, 0.0014232000000000, -0.0019022000000000 ] - [ 0.0001601900000000, -0.0004139600000000, -0.0002050100000000 ] - [ 0.0038652400000000, 0.0018668600000000, -0.0008154400000000 ] - [ 0.0000050900000000, -0.0002345400000000, -0.0002248100000000 ] - [ -0.0001111600000000, 0.0003059900000000, 0.0001406100000000 ] - [ -0.0024626400000000, -0.0047912200000000, 0.0038539000000000 ] - [ 0.0004203700000000, -0.0007640200000000, -0.0005396000000000 ] - [ 0.0003833800000000, 0.0003717800000000, 0.0010866300000000 ] - [ 0.0001932100000000, -0.0005487200000000, -0.0007397200000000 ] - [ -0.0005130700000000, 0.0003685000000000, 0.0000030700000000 ] - [ 0.0001427900000000, 0.0000193500000000, -0.0005622000000000 ] - [ 0.0069515600000000, 0.0037906100000000, 0.0069552500000000 ] - [ -0.0005475800000000, -0.0001502100000000, -0.0014345700000000 ] - [ 0.0000111700000000, 0.0000584400000000, -0.0003239700000000 ] - [ -0.0000497100000000, 0.0002785800000000, 0.0001354000000000 ] - [ -0.0012179400000000, -0.0000851600000000, -0.0006420400000000 ] - [ 0.0018511400000000, 0.0020119900000000, 0.0000880600000000 ] - [ -0.0004893500000000, 0.0001815600000000, 0.0012872700000000 ] - [ -0.0004621000000000, -0.0012989200000000, 0.0011305600000000 ] - [ -0.0000736400000000, -0.0000725800000000, 0.0004347400000000 ] - [ 0.0000427100000000, 0.0000116200000000, -0.0001591000000000 ] - [ 0.0017624800000000, 0.0001890600000000, 0.0040915100000000 ] - [ -0.0004900000000000, 0.0008650100000000, -0.0004231700000000 ] - [ -0.0002388100000000, -0.0005807100000000, -0.0004636600000000 ] - [ 0.0001121300000000, -0.0013099400000000, -0.0012044000000000 ] - [ -0.0001311800000000, 0.0000229900000000, -0.0000376300000000 ] - [ 0.0062950600000000, 0.0000055300000000, 0.0033506000000000 ] - [ 0.0003754500000000, -0.0006238000000000, 0.0000140300000000 ] - [ -0.0003376900000000, 0.0000389800000000, -0.0002208100000000 ] - [ -0.0728210300000000, -0.0378787000000000, 0.0562496200000000 ] - [ 0.0003582700000000, 0.0004476800000000, -0.0001739400000000 ] - [ 0.0004202500000000, -0.0004541800000000, -0.0002271600000000 ] - [ 0.0007377100000000, -0.0002540000000000, 0.0001629300000000 ] - [ -0.0002431300000000, -0.0002518700000000, -0.0000778100000000 ] - [ -0.0163845300000000, -0.0108289600000000, 0.0055330900000000 ] - [ 0.0017907300000000, -0.0003830500000000, 0.0015942900000000 ] - [ -0.0001538500000000, 0.0001420500000000, -0.0000876200000000 ] - [ 0.0089498400000000, 0.0120058200000000, -0.0354476700000000 ] - [ 0.0001799300000000, 0.0006173000000000, 0.0000335100000000 ] - [ 0.0000308300000000, -0.0005919900000000, 0.0001192400000000 ] - [ 0.0003023100000000, 0.0012258800000000, 0.0009259900000000 ] - [ -0.0010412900000000, -0.0010413500000000, 0.0001060800000000 ] - [ 0.0025027800000000, 0.0014737500000000, -0.0045672000000000 ] - [ 0.0015619800000000, -0.0015983900000000, 0.0005157300000000 ] - [ -0.0007715800000000, 0.0010507000000000, 0.0004763100000000 ] - [ -0.0013064400000000, -0.0001519000000000, -0.0012156400000000 ] - [ 0.0004040300000000, -0.0002327400000000, -0.0004271600000000 ] - [ 0.0001653900000000, 0.0004264400000000, 0.0002509300000000 ] - [ 0.0019941400000000, 0.0017996700000000, 0.0006764900000000 ] - [ 0.0023487300000000, -0.0041431200000000, -0.0007364100000000 ] - [ -0.0001145500000000, -0.0000450500000000, 0.0000521700000000 ] - [ -0.0002801700000000, -0.0000760200000000, 0.0000558600000000 ] - [ -0.0043756500000000, 0.0037991200000000, -0.0005622100000000 ] - [ -0.0005116700000000, 0.0002028600000000, 0.0005268000000000 ] - [ 0.0011457900000000, -0.0019995300000000, 0.0006382300000000 ] - [ -0.0004082300000000, -0.0000847800000000, 0.0005512600000000 ] - [ -0.0052997800000000, 0.0057040200000000, 0.0016699100000000 ] - [ 0.0005551100000000, -0.0000837200000000, 0.0006237400000000 ] - [ 0.0012036500000000, -0.0008701800000000, -0.0020790200000000 ] - [ -0.0059436400000000, -0.0028927100000000, 0.0010552000000000 ] - [ -0.0006146900000000, 0.0006074600000000, 0.0002454900000000 ] - [ -0.0012569600000000, -0.0015390400000000, 0.0007860600000000 ] - [ 0.0001749100000000, 0.0004252200000000, 0.0003730300000000 ] - [ 0.0002059100000000, -0.0006529600000000, -0.0000270500000000 ] - [ 0.0103908300000000, 0.0004926000000000, 0.0019373000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000625400000000, -0.0004171000000000, -0.0003468800000000 ] - [ -0.0008848300000000, 0.0001495800000000, 0.0004728500000000 ] - [ 0.0005046500000000, -0.0001647500000000, -0.0005662800000000 ] - [ 0.0021013400000000, 0.0020717000000000, 0.0040705900000000 ] - [ -0.0008620200000000, -0.0002270700000000, 0.0000933000000000 ] - [ 0.0009996500000000, -0.0002838500000000, 0.0009480900000000 ] - [ -0.0001513400000000, -0.0001337500000000, -0.0001444900000000 ] - [ -0.0000822200000000, -0.0000412800000000, -0.0007411000000000 ] - [ 0.0014819500000000, 0.0017970200000000, -0.0019320000000000 ] - [ -0.0011112600000000, -0.0020061700000000, 0.0011372800000000 ] - [ -0.0002670600000000, 0.0005852400000000, 0.0000432300000000 ] - [ -0.0000606100000000, 0.0000639100000000, 0.0003742200000000 ] - [ 0.0014548100000000, -0.0017992800000000, 0.0046228000000000 ] - [ 0.0001278400000000, 0.0003876200000000, -0.0003800300000000 ] - [ 0.0000755200000000, -0.0007271100000000, -0.0005998900000000 ] - [ -0.0643423900000000, -0.0334158300000000, 0.0367184900000000 ] - [ 0.0018001100000000, 0.0006496400000000, -0.0010138300000000 ] - [ -0.0008370600000000, 0.0000487000000000, -0.0002147100000000 ] - [ 0.0000508100000000, -0.0012824100000000, 0.0007119600000000 ] - [ 0.0000249800000000, -0.0006480500000000, 0.0009470100000000 ] - [ -0.0000496700000000, -0.0002100000000000, 0.0001304000000000 ] - [ -0.0037264700000000, -0.0012688000000000, 0.0012792500000000 ] - [ -0.0001360800000000, -0.0003444400000000, 0.0007140600000000 ] - [ -0.0000197000000000, 0.0002723400000000, 0.0003485200000000 ] - [ 0.0026157900000000, 0.0041860300000000, -0.0033175800000000 ] - [ -0.0009085000000000, -0.0001007800000000, 0.0002223400000000 ] - [ 0.0001089500000000, 0.0004977800000000, -0.0014151600000000 ] - [ 0.0002911600000000, -0.0003135100000000, 0.0004224000000000 ] - [ 0.0000239600000000, 0.0005090800000000, -0.0003308900000000 ] - [ 0.0000355500000000, -0.0000626900000000, -0.0000939800000000 ] - [ -0.0071941600000000, -0.0037887800000000, -0.0076852100000000 ] - [ 0.0003555500000000, 0.0001085000000000, 0.0007824800000000 ] - [ 0.0001670100000000, -0.0000142900000000, -0.0003346800000000 ] - [ 0.0001563800000000, 0.0003490500000000, -0.0002101400000000 ] - [ 0.0011047900000000, -0.0005319700000000, 0.0005790300000000 ] - [ -0.0019581200000000, -0.0013992100000000, -0.0001792200000000 ] - [ 0.0003723200000000, -0.0000475400000000, -0.0010111700000000 ] - [ 0.0005621700000000, 0.0011449900000000, -0.0008415900000000 ] - [ 0.0001974300000000, 0.0002100400000000, -0.0001586400000000 ] - [ -0.0001601700000000, -0.0001444600000000, 0.0004338000000000 ] - [ -0.0011002600000000, -0.0013815200000000, -0.0046305300000000 ] - [ -0.0001900000000000, 0.0003455500000000, -0.0001493000000000 ] - [ -0.0004400300000000, -0.0006308800000000, -0.0001103600000000 ] - [ 0.0005846200000000, 0.0025304300000000, 0.0006448600000000 ] - [ -0.0004202000000000, -0.0000941100000000, -0.0000379500000000 ] - [ -0.0056962400000000, 0.0000491600000000, -0.0033565900000000 ] - [ 0.0001157300000000, -0.0001497800000000, -0.0009471100000000 ] - [ -0.0002143700000000, 0.0000318800000000, 0.0001451400000000 ] - [ 0.0714258300000000, 0.0365313300000000, -0.0564610400000000 ] - [ 0.0004762100000000, 0.0005510200000000, 0.0000749300000000 ] - [ 0.0004148500000000, -0.0005443300000000, 0.0001278700000000 ] - [ -0.0015767100000000, 0.0012724800000000, -0.0002517900000000 ] - [ -0.0000986300000000, -0.0000862300000000, 0.0001322100000000 ] - [ 0.0166433300000000, 0.0115285800000000, -0.0056856100000000 ] - [ -0.0014342100000000, 0.0000400500000000, -0.0015129200000000 ] - [ -0.0001875000000000, 0.0001974600000000, 0.0001413800000000 ] - [ -0.0091380900000000, -0.0132582800000000, 0.0362896600000000 ] - [ 0.0001347900000000, 0.0005658300000000, 0.0005129400000000 ] - [ 0.0002836800000000, -0.0005907200000000, 0.0004289100000000 ] - [ -0.0006349800000000, -0.0000324900000000, -0.0003616700000000 ] - [ -0.0005950800000000, -0.0008560400000000, 0.0006432500000000 ] - [ -0.0008820200000000, 0.0004191400000000, 0.0052943400000000 ] - [ 0.0000822800000000, -0.0003033000000000, 0.0002441200000000 ] - [ -0.0008642800000000, 0.0008480000000000, 0.0002735600000000 ] - [ 0.0007053200000000, 0.0004641600000000, 0.0000504900000000 ] - [ 0.0001929100000000, -0.0000823500000000, -0.0007299600000000 ] - [ 0.0004384500000000, -0.0001074700000000, -0.0014033300000000 ] - [ -0.0025907300000000, -0.0021090600000000, -0.0018168700000000 ] - [ -0.0019179700000000, 0.0041456100000000, 0.0004146200000000 ] - [ -0.0002530400000000, 0.0000921000000000, -0.0003564800000000 ] - [ -0.0000876100000000, 0.0000299400000000, -0.0003600800000000 ] - [ 0.0043990300000000, -0.0036372600000000, 0.0002798200000000 ] - [ -0.0004109300000000, 0.0001364800000000, 0.0002473600000000 ] - [ -0.0002608200000000, 0.0016463600000000, 0.0000992200000000 ] - [ -0.0005147300000000, -0.0002549100000000, 0.0002227100000000 ] - [ 0.0064093300000000, -0.0054443900000000, -0.0009410200000000 ] - [ -0.0005156000000000, -0.0004719900000000, -0.0004809200000000 ] - [ -0.0012228400000000, 0.0013877700000000, 0.0022808700000000 ] - [ 0.0058737800000000, 0.0023406100000000, -0.0009206700000000 ] - [ 0.0006467700000000, -0.0000569100000000, -0.0001003300000000 ] - [ 0.0007912200000000, 0.0000898800000000, -0.0003684100000000 ] - [ 0.0002834100000000, 0.0010167300000000, 0.0000440900000000 ] - [ 0.0002555300000000, -0.0007881400000000, 0.0004408400000000 ] - [ -0.0108338000000000, 0.0009615400000000, -0.0015848900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004666200000000, -0.0000933400000000, 0.0005607000000000 ] - [ -0.0004055600000000, -0.0001741200000000, 0.0015042500000000 ] - [ 0.0014858700000000, -0.0018797800000000, -0.0000111200000000 ] - [ 0.0009650200000000, 0.0001020400000000, -0.0017594500000000 ] - [ -0.0007666500000000, 0.0000430800000000, 0.0010203500000000 ] - [ 0.0011643300000000, -0.0026210200000000, 0.0057850600000000 ] - [ 0.0001710300000000, -0.0007898300000000, 0.0010902800000000 ] - [ 0.0002087500000000, 0.0008262900000000, 0.0013577000000000 ] - [ 0.0000529400000000, 0.0013323000000000, 0.0030484900000000 ] - [ -0.0003557300000000, -0.0029770900000000, -0.0004567800000000 ] - [ 0.0000453300000000, 0.0002368800000000, 0.0006834600000000 ] - [ 0.0002136600000000, 0.0002098600000000, 0.0009769800000000 ] - [ -0.0009476200000000, 0.0064937600000000, -0.0019766300000000 ] - [ 0.0004974500000000, 0.0000789500000000, 0.0005150000000000 ] - [ 0.0001580800000000, -0.0038816100000000, -0.0023679600000000 ] - [ 0.0319802800000000, 0.1402379800000000, -0.0920821500000000 ] - [ 0.0003567300000000, 0.0051762800000000, 0.0012479300000000 ] - [ -0.0009327200000000, 0.0004345700000000, -0.0016577300000000 ] - [ 0.0003043600000000, -0.0004898500000000, -0.0020876500000000 ] - [ 0.0000911500000000, 0.0004834900000000, -0.0019503900000000 ] - [ 0.0001414000000000, -0.0003424700000000, -0.0002250900000000 ] - [ 0.0018036900000000, 0.0004553600000000, -0.0025953600000000 ] - [ -0.0000158900000000, -0.0002186700000000, -0.0007825800000000 ] - [ -0.0000380500000000, 0.0002556000000000, -0.0005888500000000 ] - [ -0.0060646700000000, 0.0117407200000000, -0.0141764400000000 ] - [ 0.0000032300000000, -0.0010836700000000, -0.0007507300000000 ] - [ -0.0010923500000000, -0.0005519000000000, 0.0004199300000000 ] - [ -0.0001216200000000, 0.0004494400000000, 0.0002235300000000 ] - [ -0.0002194800000000, 0.0023937400000000, -0.0015588500000000 ] - [ 0.0000356900000000, -0.0000169700000000, -0.0009189300000000 ] - [ 0.0015984600000000, -0.0016934200000000, 0.0028280400000000 ] - [ -0.0005462400000000, 0.0029457500000000, 0.0001149600000000 ] - [ 0.0000381100000000, 0.0000390600000000, -0.0010604400000000 ] - [ -0.0003033300000000, 0.0005451600000000, -0.0002019700000000 ] - [ -0.0001200600000000, 0.0004754000000000, 0.0023939300000000 ] - [ -0.0003411200000000, 0.0008111800000000, 0.0009912700000000 ] - [ 0.0002193500000000, -0.0002072400000000, -0.0014268200000000 ] - [ -0.0014370500000000, -0.0034459100000000, 0.0000717600000000 ] - [ 0.0005094100000000, 0.0017453100000000, 0.0004736400000000 ] - [ -0.0001766700000000, 0.0002878400000000, -0.0003795000000000 ] - [ 0.0036919800000000, -0.0023265100000000, 0.0051492400000000 ] - [ -0.0002928400000000, 0.0002356500000000, -0.0006066800000000 ] - [ -0.0002967500000000, -0.0004904900000000, -0.0006107200000000 ] - [ 0.0004914000000000, 0.0022990500000000, 0.0016712700000000 ] - [ -0.0005066000000000, -0.0002268000000000, -0.0008125800000000 ] - [ 0.0008439100000000, -0.0033063300000000, 0.0011969700000000 ] - [ 0.0001159900000000, -0.0008946300000000, -0.0035296400000000 ] - [ -0.0003629700000000, 0.0001895400000000, -0.0006686700000000 ] - [ -0.0367608500000000, -0.2046475700000000, 0.1492963700000000 ] - [ 0.0003662700000000, 0.0002283400000000, -0.0008951700000000 ] - [ 0.0003727900000000, -0.0002274900000000, -0.0008615200000000 ] - [ 0.0003536200000000, 0.0036225600000000, 0.0014862600000000 ] - [ -0.0001298700000000, -0.0003061600000000, -0.0006446900000000 ] - [ -0.0073776700000000, 0.0571657300000000, -0.0378603300000000 ] - [ 0.0004907900000000, 0.0021298100000000, 0.0002244100000000 ] - [ -0.0001581000000000, 0.0003805600000000, -0.0006265900000000 ] - [ 0.0096556500000000, -0.0114915600000000, -0.0147951700000000 ] - [ -0.0001732800000000, 0.0003965900000000, -0.0004355600000000 ] - [ -0.0001240100000000, -0.0003739500000000, -0.0004330700000000 ] - [ -0.0010418400000000, 0.0037950600000000, 0.0021612700000000 ] - [ -0.0009455600000000, -0.0013455400000000, -0.0001048300000000 ] - [ 0.0016153900000000, -0.0018928000000000, -0.0001467100000000 ] - [ -0.0006420900000000, 0.0030134900000000, -0.0006308100000000 ] - [ -0.0008806600000000, 0.0014033700000000, 0.0001296200000000 ] - [ -0.0005526300000000, -0.0006939900000000, -0.0016711000000000 ] - [ 0.0000860000000000, -0.0005318900000000, -0.0003289700000000 ] - [ 0.0003522500000000, 0.0006215600000000, -0.0003683300000000 ] - [ 0.0009083200000000, 0.0018436000000000, -0.0021347200000000 ] - [ -0.0033200700000000, -0.0065027900000000, -0.0030724400000000 ] - [ -0.0001849600000000, -0.0000082000000000, 0.0007240300000000 ] - [ -0.0001897800000000, 0.0000644000000000, 0.0007156200000000 ] - [ 0.0047714500000000, 0.0035733000000000, -0.0032746400000000 ] - [ -0.0004322400000000, 0.0001049200000000, 0.0011897000000000 ] - [ -0.0037225200000000, -0.0070730200000000, -0.0043745500000000 ] - [ -0.0004567400000000, -0.0001215500000000, 0.0012790700000000 ] - [ 0.0064370300000000, 0.0039773200000000, -0.0033923300000000 ] - [ -0.0002902000000000, -0.0008995000000000, 0.0015815400000000 ] - [ 0.0016601400000000, -0.0065380000000000, 0.0086746900000000 ] - [ -0.0036616600000000, -0.0013564800000000, 0.0018815000000000 ] - [ 0.0004440300000000, 0.0005087300000000, 0.0017819800000000 ] - [ 0.0004149800000000, -0.0033769700000000, 0.0008662900000000 ] - [ -0.0001906600000000, 0.0001850900000000, 0.0013172900000000 ] - [ 0.0002725100000000, -0.0002597100000000, 0.0012893200000000 ] - [ 0.0007239000000000, 0.0118201000000000, 0.0033715100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000692300000000, -0.0006775700000000, -0.0009857000000000 ] - [ -0.0012504000000000, 0.0004588900000000, -0.0006617300000000 ] - [ 0.0001736300000000, 0.0015854700000000, 0.0008816700000000 ] - [ 0.0006844900000000, 0.0001594600000000, 0.0025915900000000 ] - [ -0.0008827100000000, -0.0003177100000000, -0.0001641700000000 ] - [ -0.0011510800000000, 0.0031479200000000, -0.0059090000000000 ] - [ -0.0001887900000000, 0.0002711900000000, -0.0012342400000000 ] - [ -0.0002295100000000, -0.0003081700000000, -0.0014969000000000 ] - [ -0.0000168200000000, -0.0018002800000000, -0.0031678100000000 ] - [ 0.0007169100000000, 0.0019129900000000, 0.0008791400000000 ] - [ -0.0003894600000000, 0.0008267900000000, -0.0002407700000000 ] - [ -0.0005606100000000, -0.0012863000000000, -0.0005411400000000 ] - [ 0.0012811900000000, -0.0054147600000000, 0.0024552000000000 ] - [ -0.0000990800000000, 0.0006947100000000, -0.0009384900000000 ] - [ -0.0005778000000000, 0.0030884800000000, 0.0019564200000000 ] - [ -0.0344942800000000, -0.1434412600000000, 0.0982228000000000 ] - [ 0.0001703200000000, -0.0052520800000000, -0.0013073100000000 ] - [ 0.0004586300000000, 0.0003487600000000, 0.0007211400000000 ] - [ -0.0008077500000000, -0.0002663800000000, 0.0011461800000000 ] - [ 0.0003964900000000, 0.0002733300000000, 0.0010100700000000 ] - [ -0.0000332400000000, -0.0002871400000000, 0.0001541900000000 ] - [ -0.0016618900000000, 0.0001014700000000, 0.0030627000000000 ] - [ -0.0001144700000000, -0.0003592400000000, 0.0012797300000000 ] - [ -0.0000939700000000, 0.0003254000000000, 0.0010882000000000 ] - [ 0.0060859300000000, -0.0121521800000000, 0.0144756500000000 ] - [ -0.0004898900000000, 0.0002148800000000, 0.0004285900000000 ] - [ 0.0015827400000000, 0.0014210800000000, -0.0007246100000000 ] - [ 0.0006094900000000, -0.0013113000000000, -0.0005485500000000 ] - [ -0.0002726800000000, -0.0015495300000000, 0.0012588500000000 ] - [ 0.0001430400000000, -0.0000278300000000, 0.0002665400000000 ] - [ -0.0017459900000000, 0.0017678500000000, -0.0034531800000000 ] - [ 0.0003685600000000, -0.0029710000000000, -0.0007926300000000 ] - [ 0.0001402100000000, 0.0000055900000000, 0.0004150100000000 ] - [ 0.0004156000000000, 0.0000744600000000, 0.0001334100000000 ] - [ 0.0000055300000000, -0.0010839300000000, -0.0024763100000000 ] - [ 0.0002373500000000, -0.0001618000000000, -0.0010592600000000 ] - [ -0.0003399500000000, 0.0003446500000000, 0.0017308600000000 ] - [ 0.0015620200000000, 0.0033226900000000, 0.0002045300000000 ] - [ -0.0004041900000000, -0.0016023100000000, -0.0001833700000000 ] - [ 0.0000596900000000, -0.0004225300000000, 0.0006568300000000 ] - [ -0.0030063400000000, 0.0010866000000000, -0.0057116400000000 ] - [ -0.0003857700000000, 0.0009810900000000, 0.0000394700000000 ] - [ -0.0003830200000000, -0.0007172300000000, 0.0000433900000000 ] - [ 0.0001727900000000, -0.0010990500000000, -0.0022297400000000 ] - [ -0.0000398600000000, 0.0001571800000000, 0.0007472200000000 ] - [ -0.0002970900000000, 0.0033696200000000, -0.0012916500000000 ] - [ 0.0003752200000000, 0.0001018800000000, 0.0025714800000000 ] - [ -0.0001869100000000, -0.0001176300000000, 0.0005991900000000 ] - [ 0.0376864700000000, 0.2079048400000000, -0.1564666700000000 ] - [ 0.0004692600000000, 0.0007728000000000, 0.0008051400000000 ] - [ 0.0004623100000000, -0.0007730800000000, 0.0007720300000000 ] - [ -0.0011726100000000, -0.0026122100000000, -0.0015910500000000 ] - [ -0.0002117900000000, -0.0000327200000000, 0.0007063400000000 ] - [ 0.0078971000000000, -0.0579166600000000, 0.0387213900000000 ] - [ -0.0001445500000000, -0.0024422800000000, -0.0001696600000000 ] - [ -0.0001833200000000, -0.0000444800000000, 0.0006879600000000 ] - [ -0.0098400600000000, 0.0105449000000000, 0.0150881700000000 ] - [ 0.0004908800000000, 0.0007858900000000, 0.0009917100000000 ] - [ 0.0004414200000000, -0.0008091400000000, 0.0009871200000000 ] - [ 0.0007495700000000, -0.0026037500000000, -0.0016010300000000 ] - [ -0.0006896900000000, -0.0005502600000000, 0.0008579400000000 ] - [ -0.0000275200000000, 0.0037735200000000, 0.0009375000000000 ] - [ 0.0022737500000000, -0.0049002200000000, 0.0013680800000000 ] - [ -0.0007548800000000, 0.0004934600000000, 0.0006264000000000 ] - [ -0.0000496500000000, 0.0010208900000000, 0.0005031900000000 ] - [ 0.0005160300000000, 0.0002089500000000, -0.0008303500000000 ] - [ 0.0002472200000000, -0.0003105600000000, -0.0007995700000000 ] - [ -0.0014997000000000, -0.0021326400000000, 0.0009790100000000 ] - [ 0.0037952900000000, 0.0067593800000000, 0.0027955600000000 ] - [ -0.0001821300000000, 0.0000535100000000, -0.0010389700000000 ] - [ -0.0001782700000000, -0.0001124400000000, -0.0010305000000000 ] - [ -0.0044775000000000, -0.0034296300000000, 0.0029769700000000 ] - [ -0.0004911900000000, 0.0002365200000000, -0.0004260800000000 ] - [ 0.0046730400000000, 0.0067301200000000, 0.0051758300000000 ] - [ -0.0004652100000000, -0.0002162800000000, -0.0005156900000000 ] - [ -0.0054129800000000, -0.0037643000000000, 0.0041793300000000 ] - [ 0.0003267800000000, 0.0003536500000000, -0.0014478100000000 ] - [ -0.0016917200000000, 0.0070909200000000, -0.0085949300000000 ] - [ 0.0035919200000000, 0.0007584000000000, -0.0017215900000000 ] - [ -0.0004106500000000, 0.0000554900000000, -0.0016532600000000 ] - [ -0.0008806000000000, 0.0019255800000000, -0.0004322600000000 ] - [ 0.0006564100000000, 0.0012576100000000, -0.0009204100000000 ] - [ 0.0001872100000000, -0.0011850000000000, -0.0008832800000000 ] - [ -0.0011676900000000, -0.0103059700000000, -0.0029384200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007754600000000, -0.0013639100000000, -0.0031877200000000 ] - [ -0.0006998900000000, -0.0000651000000000, -0.0021491000000000 ] - [ 0.0033679300000000, -0.0035570100000000, 0.0026152800000000 ] - [ 0.0003378300000000, -0.0027651100000000, 0.0002144000000000 ] - [ -0.0009024600000000, -0.0005994100000000, -0.0027430400000000 ] - [ -0.0010351100000000, 0.0024758100000000, -0.0019130200000000 ] - [ -0.0002930600000000, 0.0002403300000000, -0.0031278900000000 ] - [ 0.0000303500000000, -0.0000552100000000, -0.0036338200000000 ] - [ 0.0029175200000000, 0.0060641300000000, 0.0004864600000000 ] - [ -0.0004106300000000, -0.0013530800000000, 0.0011470800000000 ] - [ -0.0010124300000000, 0.0005055300000000, -0.0012871200000000 ] - [ -0.0021467000000000, -0.0034250600000000, -0.0032173100000000 ] - [ -0.0032867900000000, 0.0018235300000000, -0.0000648400000000 ] - [ -0.0009010000000000, 0.0013812300000000, -0.0027542400000000 ] - [ -0.0016046400000000, 0.0017803400000000, 0.0033113700000000 ] - [ -0.0374754800000000, -0.0951475000000000, 0.1583688100000000 ] - [ 0.0001163900000000, -0.0014987900000000, -0.0023918300000000 ] - [ -0.0008699000000000, -0.0009819800000000, 0.0030667800000000 ] - [ 0.0000445400000000, -0.0011913400000000, 0.0034431400000000 ] - [ -0.0001403800000000, -0.0018034100000000, 0.0004737200000000 ] - [ -0.0000743400000000, 0.0000853400000000, 0.0017468700000000 ] - [ -0.0019096600000000, -0.0023056100000000, -0.0029671500000000 ] - [ -0.0003708500000000, -0.0006719400000000, 0.0033587600000000 ] - [ -0.0001676000000000, 0.0005241600000000, 0.0030529700000000 ] - [ 0.0045791000000000, -0.0130313300000000, 0.0042096100000000 ] - [ -0.0007152600000000, 0.0006992700000000, 0.0029430700000000 ] - [ 0.0038246800000000, 0.0020971100000000, 0.0014537200000000 ] - [ -0.0006554800000000, 0.0004948200000000, -0.0001283900000000 ] - [ -0.0002195700000000, -0.0001143600000000, 0.0019299800000000 ] - [ 0.0000765000000000, -0.0002870400000000, 0.0024656700000000 ] - [ 0.0070104600000000, 0.0032650000000000, -0.0011697700000000 ] - [ -0.0006543200000000, 0.0007077500000000, -0.0040603000000000 ] - [ 0.0000171100000000, 0.0003120900000000, 0.0020514400000000 ] - [ 0.0001724700000000, 0.0005957700000000, 0.0016817000000000 ] - [ -0.0012367300000000, 0.0058821700000000, 0.0004437600000000 ] - [ 0.0010021600000000, 0.0031752000000000, -0.0005345700000000 ] - [ -0.0010399400000000, 0.0005264500000000, 0.0080724600000000 ] - [ 0.0013073900000000, 0.0002670800000000, 0.0015091700000000 ] - [ 0.0002794600000000, -0.0008502900000000, 0.0005381500000000 ] - [ 0.0002662800000000, -0.0006777600000000, 0.0012579300000000 ] - [ 0.0045194100000000, 0.0020607600000000, 0.0019992000000000 ] - [ -0.0003368400000000, 0.0019341800000000, 0.0016517400000000 ] - [ -0.0003253800000000, -0.0003432300000000, 0.0013821700000000 ] - [ -0.0009194900000000, 0.0019701500000000, -0.0013391500000000 ] - [ 0.0011141100000000, 0.0003236100000000, 0.0032102400000000 ] - [ 0.0003756600000000, -0.0001272400000000, -0.0034865800000000 ] - [ 0.0008586900000000, -0.0039042400000000, 0.0017653800000000 ] - [ 0.0000376400000000, -0.0000470800000000, 0.0021528800000000 ] - [ 0.0578552800000000, 0.1561256800000000, -0.2351499100000000 ] - [ 0.0005419500000000, 0.0013481100000000, 0.0032313600000000 ] - [ 0.0005947500000000, -0.0013147700000000, 0.0029066700000000 ] - [ -0.0002123200000000, -0.0010446700000000, -0.0044734600000000 ] - [ -0.0003741800000000, 0.0001141600000000, 0.0025667300000000 ] - [ 0.0028639300000000, -0.0335874400000000, -0.0033779900000000 ] - [ -0.0008839700000000, -0.0018092000000000, -0.0043680300000000 ] - [ -0.0001341200000000, -0.0005498500000000, 0.0024517700000000 ] - [ -0.0366341100000000, -0.0216289500000000, 0.0404806600000000 ] - [ 0.0011524500000000, 0.0007363400000000, 0.0029609900000000 ] - [ 0.0010350600000000, -0.0008588000000000, 0.0027383000000000 ] - [ 0.0014104200000000, -0.0004487300000000, -0.0021897400000000 ] - [ -0.0006666400000000, -0.0008608000000000, 0.0025220800000000 ] - [ -0.0074443400000000, 0.0002856500000000, 0.0040305700000000 ] - [ 0.0028237000000000, -0.0042435900000000, 0.0000030800000000 ] - [ -0.0006762200000000, 0.0006499600000000, 0.0020010800000000 ] - [ -0.0004815800000000, -0.0007765900000000, -0.0016283900000000 ] - [ 0.0000221400000000, -0.0008468600000000, -0.0025202900000000 ] - [ 0.0007198400000000, -0.0010707700000000, -0.0033264800000000 ] - [ -0.0008827300000000, -0.0036761200000000, -0.0067441400000000 ] - [ 0.0000220800000000, -0.0002018300000000, 0.0098377900000000 ] - [ -0.0001082200000000, -0.0000794500000000, -0.0035118700000000 ] - [ -0.0002791100000000, -0.0002346500000000, -0.0035867800000000 ] - [ 0.0008792100000000, -0.0018362200000000, 0.0127626800000000 ] - [ -0.0004943800000000, 0.0002549200000000, -0.0028853400000000 ] - [ 0.0015882700000000, 0.0003056600000000, 0.0093712700000000 ] - [ -0.0005466700000000, -0.0001774000000000, -0.0033136800000000 ] - [ 0.0013000200000000, -0.0032501600000000, 0.0126026500000000 ] - [ 0.0011229800000000, 0.0013711100000000, -0.0040091500000000 ] - [ -0.0025709600000000, 0.0064443100000000, -0.0050337100000000 ] - [ 0.0072590600000000, 0.0056024500000000, -0.0039277900000000 ] - [ -0.0015005600000000, 0.0016173200000000, -0.0048789300000000 ] - [ -0.0009151500000000, -0.0001837100000000, 0.0031075100000000 ] - [ 0.0003921900000000, 0.0011979000000000, -0.0035875700000000 ] - [ 0.0002643200000000, -0.0008651700000000, -0.0046415900000000 ] - [ 0.0008812700000000, 0.0004673500000000, 0.0077315600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011778000000000, 0.0005977600000000, 0.0027839500000000 ] - [ -0.0009507600000000, 0.0003429800000000, 0.0030232100000000 ] - [ -0.0017415800000000, 0.0033088900000000, -0.0017893700000000 ] - [ 0.0013192200000000, 0.0030656400000000, 0.0005835200000000 ] - [ -0.0007512800000000, 0.0003188100000000, 0.0036106900000000 ] - [ 0.0010535900000000, -0.0019615200000000, 0.0017325700000000 ] - [ 0.0002708400000000, -0.0007575900000000, 0.0030050600000000 ] - [ -0.0000498700000000, 0.0005740400000000, 0.0035113300000000 ] - [ -0.0029248100000000, -0.0066443500000000, -0.0006597300000000 ] - [ 0.0007430600000000, 0.0002983000000000, -0.0006898600000000 ] - [ 0.0006731100000000, 0.0005628300000000, 0.0017356100000000 ] - [ 0.0018208000000000, 0.0023871200000000, 0.0036886000000000 ] - [ 0.0036216800000000, -0.0007732000000000, 0.0005360600000000 ] - [ 0.0013055300000000, -0.0006163900000000, 0.0023461300000000 ] - [ 0.0012124300000000, -0.0025483100000000, -0.0037398100000000 ] - [ 0.0342718200000000, 0.0886328200000000, -0.1528670400000000 ] - [ 0.0004450100000000, 0.0014284000000000, 0.0023156200000000 ] - [ 0.0003646000000000, 0.0017483300000000, -0.0040128500000000 ] - [ -0.0005313000000000, 0.0004114100000000, -0.0043940800000000 ] - [ 0.0006333400000000, 0.0025922900000000, -0.0014009500000000 ] - [ 0.0001846800000000, -0.0007086300000000, -0.0018298200000000 ] - [ 0.0020537200000000, 0.0029015300000000, 0.0035134300000000 ] - [ 0.0002406400000000, 0.0000936000000000, -0.0028786800000000 ] - [ 0.0000385300000000, 0.0000533300000000, -0.0025719200000000 ] - [ -0.0045030900000000, 0.0125658100000000, -0.0036433700000000 ] - [ 0.0002242500000000, -0.0015625700000000, -0.0032708400000000 ] - [ -0.0033995100000000, -0.0012686000000000, -0.0017630900000000 ] - [ 0.0011535400000000, -0.0013648900000000, -0.0001793400000000 ] - [ -0.0002682300000000, 0.0009907300000000, -0.0022687200000000 ] - [ 0.0001021200000000, 0.0002449900000000, -0.0031321800000000 ] - [ -0.0072134200000000, -0.0032254400000000, 0.0006040900000000 ] - [ 0.0004844300000000, -0.0007652700000000, 0.0034463400000000 ] - [ 0.0001617500000000, -0.0002695300000000, -0.0027205600000000 ] - [ -0.0000644100000000, 0.0000313400000000, -0.0017663100000000 ] - [ 0.0011400800000000, -0.0065759300000000, -0.0005153600000000 ] - [ -0.0011190500000000, -0.0025648900000000, 0.0004843600000000 ] - [ 0.0009430100000000, -0.0003884000000000, -0.0078857900000000 ] - [ -0.0011957200000000, -0.0003952500000000, -0.0012531100000000 ] - [ -0.0001565300000000, 0.0009753700000000, -0.0002743000000000 ] - [ -0.0003858100000000, 0.0005481800000000, -0.0009796300000000 ] - [ -0.0038224600000000, -0.0032495300000000, -0.0025737300000000 ] - [ -0.0003419700000000, -0.0007381000000000, -0.0022323700000000 ] - [ -0.0003536900000000, -0.0008708400000000, -0.0019595300000000 ] - [ 0.0016007400000000, -0.0007662500000000, 0.0007501300000000 ] - [ -0.0016780100000000, -0.0003970000000000, -0.0033036400000000 ] - [ 0.0001588800000000, 0.0002138700000000, 0.0033877500000000 ] - [ -0.0003755200000000, 0.0031914900000000, -0.0026959500000000 ] - [ -0.0005886200000000, 0.0001181900000000, -0.0022345500000000 ] - [ -0.0549090300000000, -0.1496643900000000, 0.2305916200000000 ] - [ 0.0002931900000000, -0.0003521500000000, -0.0033434200000000 ] - [ 0.0002398200000000, 0.0003189300000000, -0.0030171000000000 ] - [ -0.0006274200000000, 0.0020329500000000, 0.0044009300000000 ] - [ 0.0000352200000000, -0.0004507700000000, -0.0025231200000000 ] - [ -0.0025452000000000, 0.0340213400000000, 0.0031127600000000 ] - [ 0.0012153300000000, 0.0014681300000000, 0.0044228700000000 ] - [ -0.0002081600000000, 0.0008926900000000, -0.0024066100000000 ] - [ 0.0357032900000000, 0.0200866400000000, -0.0394941500000000 ] - [ -0.0008404700000000, 0.0004462100000000, -0.0024225900000000 ] - [ -0.0007225200000000, -0.0003223100000000, -0.0021985800000000 ] - [ -0.0017407900000000, 0.0016293700000000, 0.0027369300000000 ] - [ -0.0009687400000000, -0.0010353900000000, -0.0017800500000000 ] - [ 0.0091992300000000, 0.0016116500000000, -0.0033118100000000 ] - [ -0.0011999900000000, 0.0023625600000000, 0.0007628100000000 ] - [ -0.0009589300000000, 0.0012458800000000, -0.0012590600000000 ] - [ -0.0001175200000000, 0.0010968100000000, 0.0004874900000000 ] - [ 0.0005828700000000, 0.0005377200000000, 0.0013647900000000 ] - [ -0.0001273000000000, 0.0014016900000000, 0.0021780400000000 ] - [ 0.0002765500000000, 0.0033464000000000, 0.0055957800000000 ] - [ 0.0003776500000000, 0.0002088900000000, -0.0101816600000000 ] - [ -0.0002603100000000, 0.0001288800000000, 0.0032192300000000 ] - [ -0.0000870600000000, 0.0001906900000000, 0.0032938800000000 ] - [ -0.0005954700000000, 0.0019080700000000, -0.0130886000000000 ] - [ -0.0004277000000000, 0.0000836100000000, 0.0036711400000000 ] - [ -0.0006818000000000, -0.0006660100000000, -0.0086556400000000 ] - [ -0.0003758600000000, -0.0001640000000000, 0.0041027400000000 ] - [ -0.0003119400000000, 0.0035597800000000, -0.0119164500000000 ] - [ -0.0011005100000000, -0.0019433700000000, 0.0041609000000000 ] - [ 0.0025349300000000, -0.0059010800000000, 0.0052240300000000 ] - [ -0.0072803200000000, -0.0061511000000000, 0.0040704600000000 ] - [ 0.0015568900000000, -0.0010798400000000, 0.0050426800000000 ] - [ 0.0004586900000000, -0.0012573300000000, -0.0027344900000000 ] - [ 0.0000662900000000, 0.0002465900000000, 0.0040219000000000 ] - [ 0.0001973300000000, -0.0005789100000000, 0.0050755600000000 ] - [ -0.0016338500000000, 0.0009555800000000, -0.0087752000000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0852568700000000, -0.0703774800000000, 0.0014160600000000 ] - [ 0.0002804900000000, -0.0005738400000000, -0.0007377000000000 ] - [ 0.0005328200000000, 0.0000556100000000, 0.0013343600000000 ] - [ 0.0008681200000000, 0.0001381200000000, -0.0001286700000000 ] - [ -0.0018552000000000, -0.0011914500000000, 0.0004959000000000 ] - [ -0.0000313200000000, 0.0004063200000000, 0.0001548700000000 ] - [ 0.0006734000000000, -0.0010512000000000, 0.0002761900000000 ] - [ -0.0006821700000000, -0.0010547600000000, 0.0001577400000000 ] - [ -0.0000927000000000, -0.0002886800000000, -0.0001308500000000 ] - [ 0.0001704400000000, -0.0004524300000000, 0.0002193500000000 ] - [ -0.0008680800000000, 0.0010966200000000, -0.0006383800000000 ] - [ 0.0002027100000000, -0.0054813800000000, -0.0000810700000000 ] - [ 0.0001666200000000, 0.0004811600000000, 0.0002407000000000 ] - [ -0.0028076800000000, 0.0010909000000000, -0.0026626700000000 ] - [ -0.0001948700000000, -0.0003752400000000, -0.0001985200000000 ] - [ -0.0002323400000000, 0.0002977200000000, -0.0001724700000000 ] - [ 0.0002829000000000, -0.0000758000000000, -0.0000568200000000 ] - [ -0.0005585400000000, 0.0008233100000000, -0.0010954800000000 ] - [ 0.0000437200000000, 0.0000006300000000, -0.0002736500000000 ] - [ -0.0011240600000000, 0.0016730400000000, 0.0000967700000000 ] - [ 0.0017310600000000, -0.0008554900000000, 0.0010511300000000 ] - [ 0.0001532700000000, 0.0002992900000000, 0.0004437900000000 ] - [ 0.0002595900000000, 0.0002503000000000, -0.0002594000000000 ] - [ -0.0002384500000000, 0.0005374700000000, -0.0001613900000000 ] - [ 0.0000567100000000, -0.0003748400000000, 0.0001570300000000 ] - [ -0.0000219300000000, -0.0000226800000000, -0.0002754100000000 ] - [ 0.0013793800000000, 0.0002597100000000, 0.0006504900000000 ] - [ 0.0000308800000000, -0.0030587800000000, -0.0019173200000000 ] - [ -0.0003339000000000, 0.0004353000000000, 0.0004707800000000 ] - [ 0.0032530300000000, 0.0000723600000000, -0.0009730100000000 ] - [ 0.0001050900000000, 0.0001718500000000, 0.0000191900000000 ] - [ -0.0001948800000000, 0.0000147700000000, -0.0006479300000000 ] - [ -0.0010665100000000, -0.0018679200000000, 0.0018178300000000 ] - [ -0.0012297300000000, 0.0003790200000000, -0.0002759500000000 ] - [ 0.0001188200000000, -0.0006982900000000, -0.0002046800000000 ] - [ 0.0001289900000000, 0.0001554300000000, 0.0003855800000000 ] - [ 0.0020108900000000, 0.0041626400000000, -0.0054039700000000 ] - [ -0.0000870800000000, 0.0000110800000000, 0.0000020500000000 ] - [ 0.0001727500000000, 0.0000316900000000, 0.0001084800000000 ] - [ -0.0003192100000000, -0.0001113300000000, 0.0013353100000000 ] - [ 0.0002423500000000, -0.0005914300000000, -0.0002981600000000 ] - [ -0.0020667000000000, 0.0018623900000000, 0.0004045400000000 ] - [ 0.0007715000000000, -0.0022361100000000, -0.0000950200000000 ] - [ 0.0004146600000000, 0.0005651100000000, -0.0002128000000000 ] - [ 0.0038953100000000, 0.0028074900000000, -0.0021101400000000 ] - [ 0.0002802300000000, 0.0000553600000000, -0.0000246100000000 ] - [ 0.0013379200000000, -0.0002716000000000, -0.0003860400000000 ] - [ -0.0028778500000000, 0.0031136600000000, 0.0019773700000000 ] - [ -0.0004896800000000, -0.0004587800000000, -0.0002548300000000 ] - [ -0.0161664300000000, -0.0069424700000000, -0.0026599900000000 ] - [ 0.0020324300000000, -0.0008079700000000, 0.0010012900000000 ] - [ -0.0004008700000000, 0.0004870100000000, -0.0000133900000000 ] - [ -0.1212388500000000, 0.1028275700000000, -0.0139446400000000 ] - [ 0.0001424300000000, 0.0002083300000000, 0.0000135600000000 ] - [ 0.0001789200000000, -0.0001827100000000, 0.0000461400000000 ] - [ 0.0056943000000000, -0.0000211200000000, -0.0008227600000000 ] - [ -0.0000731300000000, -0.0005440800000000, 0.0002834900000000 ] - [ 0.0208616100000000, -0.0372685100000000, 0.0243756600000000 ] - [ 0.0030932800000000, -0.0033989600000000, 0.0001306700000000 ] - [ -0.0001914100000000, 0.0005786400000000, 0.0002271200000000 ] - [ -0.0017935000000000, 0.0009764800000000, 0.0020054500000000 ] - [ 0.0004594000000000, 0.0012356000000000, 0.0006578300000000 ] - [ 0.0009926600000000, -0.0011173100000000, 0.0003514000000000 ] - [ -0.0003065500000000, 0.0025158600000000, -0.0020971100000000 ] - [ -0.0003382600000000, 0.0004070000000000, -0.0003494500000000 ] - [ -0.0007265500000000, 0.0002747800000000, -0.0003962100000000 ] - [ 0.0029323700000000, 0.0018553700000000, -0.0040492800000000 ] - [ -0.0002232200000000, -0.0001102600000000, -0.0010046100000000 ] - [ 0.0002586300000000, -0.0000430200000000, -0.0001269400000000 ] - [ 0.0013193200000000, 0.0015830700000000, -0.0002641600000000 ] - [ -0.0034393600000000, 0.0014810100000000, 0.0023685400000000 ] - [ 0.0001043900000000, -0.0000084000000000, -0.0001758600000000 ] - [ 0.0093449400000000, 0.0050663900000000, -0.0035814100000000 ] - [ 0.0003507100000000, -0.0001247400000000, 0.0003803000000000 ] - [ 0.0122427600000000, 0.0025759800000000, 0.0067492900000000 ] - [ 0.0005665500000000, 0.0001981400000000, 0.0002816900000000 ] - [ 0.0086560600000000, 0.0014560900000000, -0.0032880400000000 ] - [ 0.0002013300000000, 0.0003456600000000, 0.0000732600000000 ] - [ -0.0002583600000000, -0.0003914700000000, 0.0001848900000000 ] - [ -0.0111487700000000, -0.0030414100000000, -0.0036350300000000 ] - [ 0.0003233800000000, -0.0006642500000000, 0.0000840500000000 ] - [ -0.0013422000000000, 0.0013263400000000, 0.0002728300000000 ] - [ 0.0009312000000000, -0.0009938200000000, 0.0019688600000000 ] - [ -0.0004868900000000, 0.0004823700000000, 0.0014140100000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0847340000000000, 0.0670730100000000, -0.0017720600000000 ] - [ -0.0019381900000000, 0.0008619000000000, 0.0016212200000000 ] - [ 0.0011097500000000, -0.0003341900000000, -0.0004434500000000 ] - [ 0.0007865200000000, 0.0001476500000000, 0.0010027500000000 ] - [ 0.0002154100000000, 0.0009229500000000, 0.0003959500000000 ] - [ 0.0000471900000000, 0.0001102000000000, -0.0002516700000000 ] - [ -0.0006793300000000, 0.0005149100000000, -0.0003966200000000 ] - [ 0.0006699700000000, 0.0015813900000000, -0.0002666900000000 ] - [ 0.0001091400000000, -0.0002275700000000, 0.0000266300000000 ] - [ 0.0001792000000000, -0.0006510300000000, 0.0002042500000000 ] - [ 0.0005317300000000, -0.0000064900000000, 0.0010680300000000 ] - [ -0.0005839700000000, 0.0043987400000000, 0.0004686500000000 ] - [ 0.0001863100000000, 0.0006242000000000, 0.0001793000000000 ] - [ 0.0032021500000000, -0.0003745600000000, 0.0022405300000000 ] - [ -0.0002038300000000, -0.0003829700000000, -0.0002164400000000 ] - [ -0.0001677800000000, 0.0004600200000000, -0.0002423400000000 ] - [ 0.0002513700000000, -0.0000064400000000, -0.0000072100000000 ] - [ 0.0000643500000000, -0.0000463000000000, 0.0001461100000000 ] - [ -0.0005368600000000, -0.0007717500000000, -0.0006835600000000 ] - [ 0.0016139500000000, -0.0009071000000000, -0.0010569300000000 ] - [ -0.0016378500000000, 0.0002257000000000, -0.0011477800000000 ] - [ -0.0000292700000000, 0.0002635800000000, 0.0000309600000000 ] - [ -0.0003799200000000, -0.0008159000000000, 0.0007436900000000 ] - [ 0.0001033700000000, 0.0000569800000000, 0.0006703800000000 ] - [ 0.0000660900000000, -0.0001865600000000, 0.0003156600000000 ] - [ -0.0004733500000000, -0.0008451700000000, -0.0000592900000000 ] - [ -0.0008917500000000, 0.0005953800000000, -0.0009721400000000 ] - [ 0.0004453200000000, 0.0021674100000000, 0.0015614100000000 ] - [ -0.0001503900000000, 0.0004227400000000, -0.0008014800000000 ] - [ -0.0031057800000000, -0.0001205300000000, 0.0003000300000000 ] - [ -0.0002899900000000, -0.0001468300000000, -0.0006873000000000 ] - [ 0.0000096700000000, -0.0000403000000000, -0.0000277100000000 ] - [ 0.0012601900000000, 0.0019056300000000, -0.0024979500000000 ] - [ 0.0013385500000000, 0.0002440300000000, 0.0002051000000000 ] - [ -0.0002216500000000, 0.0000575600000000, 0.0001296300000000 ] - [ -0.0002384100000000, 0.0004764600000000, -0.0004587100000000 ] - [ -0.0020905800000000, -0.0040259500000000, 0.0057344100000000 ] - [ 0.0001940800000000, -0.0001560600000000, 0.0002923800000000 ] - [ -0.0000675200000000, 0.0001127100000000, 0.0001765500000000 ] - [ 0.0002041600000000, -0.0000225700000000, -0.0010391800000000 ] - [ 0.0004584700000000, -0.0006620000000000, -0.0002738600000000 ] - [ 0.0013812600000000, -0.0006144500000000, -0.0009775500000000 ] - [ -0.0014813900000000, 0.0009831800000000, -0.0004791500000000 ] - [ 0.0002858200000000, 0.0006868700000000, -0.0003606000000000 ] - [ -0.0044572300000000, -0.0029317500000000, 0.0020824300000000 ] - [ 0.0002513800000000, 0.0000263000000000, -0.0000373600000000 ] - [ -0.0008269200000000, -0.0004893200000000, -0.0005760800000000 ] - [ 0.0023148300000000, -0.0030549600000000, -0.0020337100000000 ] - [ -0.0003425400000000, -0.0005468300000000, 0.0001600700000000 ] - [ 0.0168599600000000, 0.0083366200000000, 0.0027547400000000 ] - [ -0.0011941600000000, -0.0001790600000000, -0.0010926700000000 ] - [ -0.0004319200000000, 0.0005186400000000, -0.0000817200000000 ] - [ 0.1213085600000000, -0.1005301300000000, 0.0145280500000000 ] - [ 0.0001845800000000, 0.0001546500000000, 0.0000404800000000 ] - [ 0.0001473500000000, -0.0001814000000000, 0.0000074600000000 ] - [ -0.0060274400000000, 0.0004052500000000, 0.0008975400000000 ] - [ -0.0002259400000000, -0.0006441500000000, 0.0002537400000000 ] - [ -0.0205605600000000, 0.0379693500000000, -0.0235312900000000 ] - [ -0.0027884500000000, 0.0022444100000000, 0.0004441000000000 ] - [ -0.0001078100000000, 0.0006084500000000, 0.0003103600000000 ] - [ 0.0001677700000000, -0.0029047600000000, -0.0012686000000000 ] - [ 0.0011893300000000, 0.0006662100000000, 0.0000931900000000 ] - [ 0.0006579600000000, -0.0007875500000000, 0.0003990700000000 ] - [ -0.0013462300000000, -0.0005844200000000, 0.0028282600000000 ] - [ -0.0002577200000000, -0.0000935300000000, -0.0008030900000000 ] - [ 0.0013238600000000, -0.0005892300000000, -0.0007713600000000 ] - [ -0.0023315900000000, -0.0015474700000000, 0.0029033600000000 ] - [ -0.0003794100000000, -0.0002020800000000, -0.0001457900000000 ] - [ 0.0001122200000000, -0.0000048900000000, -0.0001685600000000 ] - [ -0.0017165600000000, -0.0015763100000000, -0.0000367100000000 ] - [ 0.0031147600000000, -0.0015348600000000, -0.0026745800000000 ] - [ 0.0002663600000000, 0.0000553300000000, -0.0001200000000000 ] - [ -0.0099929600000000, -0.0044411200000000, 0.0040355300000000 ] - [ 0.0005687300000000, -0.0002111000000000, 0.0003924600000000 ] - [ -0.0138571400000000, -0.0030929500000000, -0.0065410400000000 ] - [ 0.0003547700000000, 0.0001386600000000, 0.0004900000000000 ] - [ -0.0085563400000000, -0.0020494200000000, 0.0032597200000000 ] - [ -0.0002451600000000, 0.0002052900000000, 0.0000637400000000 ] - [ 0.0002212200000000, -0.0001617100000000, -0.0000485900000000 ] - [ 0.0112057200000000, 0.0036186200000000, 0.0037190100000000 ] - [ -0.0007748900000000, -0.0007914200000000, 0.0003380000000000 ] - [ 0.0017945400000000, 0.0001096600000000, 0.0001541900000000 ] - [ -0.0004648100000000, -0.0004429700000000, -0.0016274900000000 ] - [ 0.0000296900000000, 0.0009675100000000, -0.0009907800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0648337700000000, 0.1871864700000000, 0.0011437700000000 ] - [ -0.0021984800000000, 0.0022137700000000, 0.0037622600000000 ] - [ 0.0018190100000000, -0.0014612400000000, -0.0018560700000000 ] - [ 0.0004417400000000, -0.0006365200000000, 0.0011981400000000 ] - [ -0.0002725700000000, 0.0016744000000000, -0.0007221400000000 ] - [ -0.0001977100000000, -0.0000871800000000, -0.0015348400000000 ] - [ 0.0013135400000000, -0.0033590100000000, -0.0018397400000000 ] - [ -0.0007844700000000, -0.0011069600000000, -0.0013141500000000 ] - [ 0.0006613600000000, 0.0008504600000000, -0.0010124700000000 ] - [ 0.0003785900000000, -0.0004147500000000, 0.0000391100000000 ] - [ -0.0067256900000000, -0.0031557500000000, -0.0047781400000000 ] - [ -0.0001937000000000, -0.0013035600000000, 0.0037706600000000 ] - [ 0.0004585500000000, 0.0013526600000000, -0.0004295600000000 ] - [ 0.0037881100000000, 0.0006411200000000, 0.0030101900000000 ] - [ -0.0000687600000000, -0.0007685500000000, -0.0006896100000000 ] - [ -0.0000070100000000, 0.0003676300000000, -0.0006748300000000 ] - [ 0.0002121200000000, 0.0000079600000000, 0.0002893800000000 ] - [ -0.0006540900000000, 0.0018170100000000, 0.0005017900000000 ] - [ -0.0000990000000000, 0.0006138700000000, 0.0004161800000000 ] - [ 0.0027932400000000, -0.0026965400000000, 0.0003646500000000 ] - [ -0.0001685100000000, -0.0023776000000000, 0.0001504100000000 ] - [ -0.0000865400000000, -0.0000029100000000, 0.0007868600000000 ] - [ 0.0001001100000000, 0.0013897500000000, 0.0010772600000000 ] - [ -0.0010073900000000, 0.0053773800000000, 0.0033592100000000 ] - [ 0.0002855800000000, -0.0006541300000000, 0.0010824200000000 ] - [ -0.0010245400000000, -0.0009442300000000, 0.0007811500000000 ] - [ -0.0000889700000000, 0.0009865400000000, -0.0016979700000000 ] - [ 0.0005869700000000, 0.0042578800000000, 0.0033230800000000 ] - [ -0.0000895900000000, 0.0005373700000000, -0.0019651800000000 ] - [ -0.0012524100000000, -0.0025628900000000, 0.0012731800000000 ] - [ -0.0000866300000000, 0.0000913300000000, -0.0006189000000000 ] - [ -0.0001467100000000, 0.0001423700000000, 0.0008591200000000 ] - [ -0.0019145600000000, 0.0022148900000000, -0.0062602000000000 ] - [ 0.0004025400000000, -0.0027339100000000, -0.0011256800000000 ] - [ -0.0006387100000000, 0.0010892500000000, 0.0003082600000000 ] - [ 0.0000154200000000, 0.0013246900000000, -0.0002532700000000 ] - [ 0.0005519700000000, -0.0027960400000000, -0.0035522400000000 ] - [ 0.0002836400000000, -0.0001926800000000, 0.0018046400000000 ] - [ -0.0000302700000000, 0.0003075600000000, 0.0000949200000000 ] - [ 0.0027091700000000, 0.0000604200000000, 0.0020397100000000 ] - [ 0.0003344800000000, -0.0011082100000000, -0.0000394100000000 ] - [ 0.0007992200000000, 0.0026254600000000, -0.0023215200000000 ] - [ 0.0021280500000000, 0.0057814200000000, 0.0001715000000000 ] - [ 0.0003751600000000, 0.0004244700000000, -0.0000267800000000 ] - [ -0.0016810900000000, -0.0006055500000000, -0.0017805200000000 ] - [ 0.0000426000000000, -0.0001209800000000, 0.0005621400000000 ] - [ -0.0032811800000000, -0.0024826600000000, 0.0006379500000000 ] - [ 0.0063487000000000, 0.0156862300000000, 0.0052431400000000 ] - [ -0.0005010200000000, -0.0006368400000000, 0.0002349400000000 ] - [ -0.0106290900000000, 0.0575372300000000, 0.0334021800000000 ] - [ 0.0006254000000000, 0.0017803900000000, -0.0016891300000000 ] - [ -0.0003900400000000, 0.0007128000000000, 0.0006750700000000 ] - [ 0.0974916100000000, -0.3072652000000000, -0.0221787100000000 ] - [ 0.0002062600000000, 0.0003057700000000, 0.0004319500000000 ] - [ 0.0001797400000000, 0.0001643500000000, 0.0004539300000000 ] - [ 0.0000341800000000, -0.0027510200000000, 0.0002924600000000 ] - [ -0.0003504900000000, -0.0006254500000000, 0.0007421100000000 ] - [ -0.0352425100000000, 0.0184062000000000, -0.0242204100000000 ] - [ -0.0053987900000000, 0.0034590300000000, -0.0000034100000000 ] - [ -0.0002969200000000, 0.0007603300000000, 0.0006901600000000 ] - [ 0.0010329400000000, -0.0010605600000000, 0.0017873500000000 ] - [ 0.0005533600000000, 0.0001941600000000, 0.0001361400000000 ] - [ 0.0008680100000000, -0.0005823500000000, 0.0008997300000000 ] - [ -0.0017039300000000, 0.0042929300000000, -0.0013510400000000 ] - [ -0.0004909300000000, 0.0005179700000000, -0.0004843100000000 ] - [ 0.0004938900000000, -0.0026827300000000, -0.0008242500000000 ] - [ -0.0008186800000000, -0.0038864700000000, 0.0037235400000000 ] - [ -0.0001754200000000, 0.0005355700000000, -0.0011206300000000 ] - [ 0.0001559300000000, 0.0001849500000000, -0.0008102700000000 ] - [ -0.0013675700000000, -0.0098043300000000, 0.0022882200000000 ] - [ 0.0048392700000000, -0.0057745100000000, -0.0008543600000000 ] - [ 0.0002045500000000, 0.0003093000000000, -0.0007125400000000 ] - [ 0.0030690900000000, 0.0077938700000000, -0.0001443600000000 ] - [ 0.0006143400000000, -0.0004552400000000, -0.0002039600000000 ] - [ 0.0023749200000000, 0.0089373100000000, 0.0045993300000000 ] - [ 0.0003405700000000, -0.0000378500000000, -0.0000564000000000 ] - [ -0.0015934300000000, 0.0128197000000000, 0.0088330500000000 ] - [ -0.0002292200000000, -0.0006850500000000, -0.0005608700000000 ] - [ 0.0002692600000000, -0.0008159600000000, -0.0010772400000000 ] - [ 0.0050081600000000, 0.0106377700000000, 0.0043233000000000 ] - [ -0.0010860500000000, -0.0010774800000000, -0.0019272000000000 ] - [ 0.0009283500000000, -0.0010123300000000, 0.0017189900000000 ] - [ 0.0017089100000000, 0.0008688600000000, -0.0114594300000000 ] - [ -0.0000221400000000, 0.0014843500000000, 0.0008881700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0725096900000000, -0.2013793600000000, -0.0013018200000000 ] - [ 0.0005395700000000, -0.0019156800000000, -0.0029215000000000 ] - [ -0.0001708100000000, 0.0011790700000000, 0.0027133200000000 ] - [ 0.0012095000000000, 0.0009146300000000, -0.0003437400000000 ] - [ -0.0013813400000000, -0.0019564800000000, 0.0015617400000000 ] - [ 0.0002176900000000, 0.0006039700000000, 0.0013917200000000 ] - [ -0.0013408600000000, 0.0028582000000000, 0.0017150500000000 ] - [ 0.0007623800000000, 0.0016165300000000, 0.0011832500000000 ] - [ -0.0006396000000000, -0.0013630800000000, 0.0008674000000000 ] - [ -0.0000357800000000, -0.0006502800000000, 0.0004029100000000 ] - [ 0.0063607900000000, 0.0042362400000000, 0.0051965200000000 ] - [ -0.0001448200000000, 0.0001927000000000, -0.0033398200000000 ] - [ -0.0001174600000000, -0.0002926100000000, 0.0008745700000000 ] - [ -0.0033687200000000, 0.0001606300000000, -0.0034144400000000 ] - [ -0.0003298800000000, -0.0000023700000000, 0.0002676300000000 ] - [ -0.0003917400000000, 0.0004026100000000, 0.0002542300000000 ] - [ 0.0003376500000000, -0.0000789900000000, -0.0003597700000000 ] - [ 0.0001650900000000, -0.0010520000000000, -0.0014481500000000 ] - [ -0.0003897800000000, -0.0013847900000000, -0.0013557600000000 ] - [ -0.0022913000000000, 0.0034582600000000, -0.0012971500000000 ] - [ 0.0002869900000000, 0.0017500700000000, -0.0002157600000000 ] - [ 0.0002176400000000, 0.0005818300000000, -0.0002891900000000 ] - [ -0.0002347300000000, -0.0019666700000000, -0.0005914800000000 ] - [ 0.0008853700000000, -0.0048286000000000, -0.0028896000000000 ] - [ -0.0001542800000000, 0.0000733800000000, -0.0005851700000000 ] - [ 0.0005429600000000, 0.0000881100000000, -0.0010914300000000 ] - [ 0.0005836800000000, -0.0001212100000000, 0.0013799300000000 ] - [ -0.0000983400000000, -0.0051304700000000, -0.0036630900000000 ] - [ -0.0003951300000000, 0.0003193000000000, 0.0016540100000000 ] - [ 0.0014517100000000, 0.0025372300000000, -0.0019118200000000 ] - [ -0.0000910300000000, -0.0000464700000000, -0.0000340200000000 ] - [ -0.0000322500000000, -0.0001849200000000, -0.0015133200000000 ] - [ 0.0020878200000000, -0.0021850800000000, 0.0055852100000000 ] - [ -0.0002947700000000, 0.0033575900000000, 0.0010817500000000 ] - [ 0.0005301400000000, -0.0017133900000000, -0.0003818100000000 ] - [ -0.0001247600000000, -0.0006978800000000, 0.0001811400000000 ] - [ -0.0006544700000000, 0.0029598700000000, 0.0037967800000000 ] - [ -0.0001695900000000, 0.0000602100000000, -0.0015375600000000 ] - [ 0.0001476700000000, -0.0001749900000000, 0.0001847700000000 ] - [ -0.0028202600000000, -0.0002004700000000, -0.0017561500000000 ] - [ 0.0003435800000000, -0.0000994600000000, -0.0005283900000000 ] - [ -0.0014870900000000, -0.0013911700000000, 0.0017595000000000 ] - [ -0.0027873100000000, -0.0069728100000000, -0.0007298100000000 ] - [ 0.0003029700000000, 0.0007864700000000, -0.0005412700000000 ] - [ 0.0011485300000000, 0.0005574400000000, 0.0016968700000000 ] - [ 0.0005090700000000, 0.0001929900000000, -0.0006343100000000 ] - [ 0.0037620000000000, 0.0017052800000000, -0.0015722400000000 ] - [ -0.0068054900000000, -0.0153973700000000, -0.0052450100000000 ] - [ -0.0003352000000000, -0.0003631300000000, -0.0003301600000000 ] - [ 0.0117328300000000, -0.0575445500000000, -0.0342141000000000 ] - [ 0.0002022500000000, -0.0027914300000000, 0.0015878200000000 ] - [ -0.0004454800000000, 0.0002879500000000, -0.0007673800000000 ] - [ -0.1060155300000000, 0.3208089700000000, 0.0221645900000000 ] - [ 0.0001343900000000, 0.0000323100000000, -0.0003739000000000 ] - [ 0.0001613500000000, -0.0005020300000000, -0.0003952800000000 ] - [ -0.0003754600000000, 0.0030665900000000, -0.0002514900000000 ] - [ 0.0000342500000000, -0.0005564000000000, -0.0001900800000000 ] - [ 0.0359242400000000, -0.0171678200000000, 0.0249550400000000 ] - [ 0.0056700400000000, -0.0046290400000000, 0.0005576500000000 ] - [ -0.0000199900000000, 0.0004218400000000, -0.0001375500000000 ] - [ -0.0026838500000000, -0.0008159700000000, -0.0010274300000000 ] - [ 0.0010779500000000, 0.0016999100000000, 0.0006158500000000 ] - [ 0.0007677000000000, -0.0013125900000000, -0.0001457600000000 ] - [ 0.0000707100000000, -0.0024144200000000, 0.0021100100000000 ] - [ -0.0001075500000000, -0.0001982300000000, -0.0006815800000000 ] - [ 0.0001042100000000, 0.0023600900000000, -0.0003390400000000 ] - [ 0.0014256800000000, 0.0041971300000000, -0.0048863900000000 ] - [ -0.0004256500000000, -0.0008561900000000, -0.0000451400000000 ] - [ 0.0002118600000000, -0.0002315300000000, 0.0004984100000000 ] - [ 0.0010204200000000, 0.0098661600000000, -0.0025939400000000 ] - [ -0.0052414700000000, 0.0057267100000000, 0.0005431300000000 ] - [ 0.0001621800000000, -0.0002622500000000, 0.0004009200000000 ] - [ -0.0037273500000000, -0.0073313800000000, 0.0006993000000000 ] - [ 0.0003075800000000, 0.0001153900000000, 0.0009712500000000 ] - [ -0.0033170600000000, -0.0092535600000000, -0.0038403600000000 ] - [ 0.0005822800000000, 0.0003779300000000, 0.0008244900000000 ] - [ 0.0015904900000000, -0.0132617400000000, -0.0081904200000000 ] - [ 0.0001960200000000, 0.0012439500000000, 0.0006951300000000 ] - [ -0.0003086200000000, 0.0002617900000000, 0.0012132800000000 ] - [ -0.0049893100000000, -0.0100882200000000, -0.0041629900000000 ] - [ 0.0006229300000000, -0.0003713900000000, 0.0023285100000000 ] - [ -0.0004712100000000, 0.0024686600000000, -0.0013077200000000 ] - [ -0.0012462700000000, -0.0023528300000000, 0.0119294700000000 ] - [ -0.0004402700000000, -0.0000367000000000, -0.0004688700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0066265800000000, -0.0069386200000000, 0.0564401300000000 ] - [ -0.0017761000000000, 0.0020954000000000, -0.0028880000000000 ] - [ 0.0022487300000000, -0.0009451300000000, -0.0037351200000000 ] - [ 0.0006749800000000, 0.0002096600000000, -0.0009435400000000 ] - [ -0.0009736800000000, -0.0004150200000000, -0.0020267600000000 ] - [ 0.0002603800000000, -0.0006510600000000, -0.0031599200000000 ] - [ -0.0005020700000000, 0.0012944000000000, -0.0009218300000000 ] - [ -0.0008671300000000, -0.0018579300000000, -0.0006300300000000 ] - [ 0.0004091400000000, 0.0005788200000000, -0.0031230300000000 ] - [ 0.0009341800000000, -0.0006728000000000, -0.0013841700000000 ] - [ 0.0004911000000000, -0.0011493600000000, 0.0026354100000000 ] - [ 0.0022594500000000, 0.0039897000000000, 0.0063782600000000 ] - [ 0.0010548700000000, 0.0007771500000000, -0.0014890000000000 ] - [ 0.0037087100000000, 0.0007686500000000, 0.0056793900000000 ] - [ 0.0007108700000000, -0.0011160700000000, -0.0023911700000000 ] - [ 0.0007412500000000, 0.0011419800000000, -0.0023768200000000 ] - [ -0.0001490300000000, -0.0000250600000000, 0.0019956900000000 ] - [ -0.0000956500000000, 0.0001137100000000, 0.0012923400000000 ] - [ -0.0000182100000000, 0.0001744000000000, 0.0009024400000000 ] - [ 0.0024467600000000, -0.0010306500000000, 0.0026539000000000 ] - [ 0.0003519700000000, -0.0007284000000000, 0.0014955800000000 ] - [ 0.0001461900000000, 0.0004834700000000, 0.0027346700000000 ] - [ 0.0005155000000000, 0.0003830200000000, -0.0005528600000000 ] - [ -0.0007920800000000, 0.0012408400000000, 0.0005459300000000 ] - [ 0.0002486400000000, -0.0004470000000000, 0.0026510500000000 ] - [ -0.0003805300000000, 0.0003843400000000, 0.0019333900000000 ] - [ -0.0000154600000000, -0.0000735900000000, 0.0007322400000000 ] - [ 0.0009171300000000, 0.0063105400000000, 0.0062009100000000 ] - [ 0.0004315500000000, -0.0010351600000000, 0.0026548200000000 ] - [ 0.0002132700000000, 0.0011093600000000, 0.0009383400000000 ] - [ -0.0002440500000000, 0.0001243600000000, 0.0012402800000000 ] - [ -0.0000529600000000, -0.0002360200000000, 0.0024217000000000 ] - [ 0.0023388200000000, -0.0042225000000000, 0.0026617300000000 ] - [ 0.0001639500000000, -0.0006286600000000, 0.0039759800000000 ] - [ -0.0010629800000000, 0.0006124500000000, 0.0012876400000000 ] - [ 0.0002278900000000, 0.0005299400000000, 0.0007012200000000 ] - [ -0.0058966000000000, -0.0069110500000000, 0.0035127700000000 ] - [ -0.0000701700000000, -0.0002710600000000, 0.0021418800000000 ] - [ -0.0001372100000000, 0.0002876300000000, 0.0017503400000000 ] - [ 0.0015665900000000, 0.0018896300000000, -0.0011057900000000 ] - [ 0.0002814000000000, -0.0006263400000000, 0.0014743900000000 ] - [ 0.0002030100000000, -0.0010379800000000, -0.0036665300000000 ] - [ -0.0001150700000000, -0.0001322000000000, -0.0021640300000000 ] - [ 0.0002224100000000, 0.0005998600000000, 0.0013261100000000 ] - [ -0.0000277600000000, -0.0000664000000000, -0.0056678400000000 ] - [ -0.0002359400000000, 0.0000210100000000, 0.0019966700000000 ] - [ -0.0027553900000000, -0.0009571300000000, 0.0025099700000000 ] - [ 0.0011462600000000, 0.0028715800000000, -0.0071687500000000 ] - [ -0.0005236900000000, -0.0011789500000000, 0.0025035100000000 ] - [ -0.0052217200000000, 0.0387745300000000, -0.0031347100000000 ] - [ -0.0011365700000000, -0.0002978100000000, -0.0044496300000000 ] - [ -0.0005327900000000, 0.0011607800000000, 0.0023889000000000 ] - [ -0.0138661000000000, -0.0235037800000000, -0.1187041200000000 ] - [ 0.0001862300000000, -0.0002341000000000, 0.0019785000000000 ] - [ 0.0001533000000000, 0.0002578100000000, 0.0019069800000000 ] - [ -0.0010430700000000, -0.0001197300000000, -0.0055924400000000 ] - [ -0.0009293200000000, -0.0006282700000000, 0.0023868100000000 ] - [ 0.0224500500000000, -0.0236973000000000, -0.0056699400000000 ] - [ -0.0051782100000000, 0.0019808000000000, -0.0054924100000000 ] - [ -0.0008946900000000, 0.0006224200000000, 0.0024475800000000 ] - [ -0.0000841600000000, 0.0007079900000000, 0.0020017900000000 ] - [ 0.0007795600000000, 0.0003388500000000, 0.0016620600000000 ] - [ 0.0005568700000000, -0.0001797300000000, 0.0014566600000000 ] - [ -0.0011271200000000, -0.0006048700000000, 0.0023902900000000 ] - [ 0.0000936300000000, 0.0004211900000000, -0.0033442200000000 ] - [ 0.0008789700000000, -0.0008944100000000, 0.0003583200000000 ] - [ 0.0003130300000000, 0.0015291600000000, -0.0004013600000000 ] - [ -0.0005271500000000, -0.0003725100000000, -0.0032802400000000 ] - [ 0.0001521200000000, 0.0000239400000000, -0.0029914100000000 ] - [ -0.0014695500000000, -0.0018433700000000, 0.0049022500000000 ] - [ 0.0011431200000000, -0.0000789400000000, 0.0054976400000000 ] - [ 0.0001989100000000, 0.0001108000000000, -0.0028623600000000 ] - [ -0.0040419100000000, -0.0016595500000000, 0.0103770000000000 ] - [ 0.0006576800000000, -0.0002800700000000, -0.0022133200000000 ] - [ 0.0042995100000000, 0.0025780400000000, 0.0121932200000000 ] - [ 0.0003801400000000, 0.0001676400000000, -0.0022102400000000 ] - [ -0.0083876500000000, 0.0134290600000000, 0.0429742100000000 ] - [ -0.0001518500000000, 0.0006045200000000, -0.0036786500000000 ] - [ 0.0001630600000000, -0.0005616000000000, -0.0035549700000000 ] - [ -0.0022324500000000, -0.0011415700000000, 0.0029497500000000 ] - [ -0.0016044800000000, -0.0012809700000000, -0.0030401800000000 ] - [ -0.0003906200000000, 0.0022833400000000, -0.0001694000000000 ] - [ 0.0015144400000000, -0.0036597800000000, -0.0054290400000000 ] - [ 0.0000489500000000, 0.0014097400000000, -0.0036268100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0066105300000000, 0.0070688200000000, -0.0570325100000000 ] - [ 0.0001342600000000, -0.0018326100000000, 0.0037461900000000 ] - [ -0.0005739600000000, 0.0006456200000000, 0.0045530500000000 ] - [ 0.0009727400000000, 0.0000636000000000, 0.0018083300000000 ] - [ -0.0006765300000000, 0.0001455900000000, 0.0028742200000000 ] - [ -0.0002395600000000, 0.0011617000000000, 0.0030024800000000 ] - [ 0.0004889100000000, -0.0018269800000000, 0.0007690500000000 ] - [ 0.0008413500000000, 0.0023657600000000, 0.0004813300000000 ] - [ -0.0003812600000000, -0.0010847900000000, 0.0029719500000000 ] - [ -0.0005887800000000, -0.0003960900000000, 0.0018220800000000 ] - [ -0.0008397800000000, 0.0021817600000000, -0.0021787300000000 ] - [ -0.0025966800000000, -0.0050558600000000, -0.0058585700000000 ] - [ -0.0007087800000000, 0.0002992100000000, 0.0019239500000000 ] - [ -0.0032669300000000, 0.0000261800000000, -0.0060595800000000 ] - [ -0.0011078800000000, 0.0003406200000000, 0.0019624200000000 ] - [ -0.0011369900000000, -0.0003696200000000, 0.0019483300000000 ] - [ 0.0006970300000000, -0.0000447500000000, -0.0020582800000000 ] - [ -0.0003956700000000, 0.0006638500000000, -0.0022167200000000 ] - [ -0.0004709800000000, -0.0009385500000000, -0.0018294900000000 ] - [ -0.0019140600000000, 0.0017605600000000, -0.0035826200000000 ] - [ -0.0002418800000000, 0.0000919700000000, -0.0015636600000000 ] - [ -0.0000177300000000, 0.0000927600000000, -0.0022304600000000 ] - [ -0.0006432800000000, -0.0009514600000000, 0.0010565400000000 ] - [ 0.0006546900000000, -0.0006287700000000, -0.0000263800000000 ] - [ -0.0001158600000000, -0.0001343700000000, -0.0021428000000000 ] - [ -0.0001132000000000, -0.0012492800000000, -0.0022379900000000 ] - [ 0.0004946600000000, 0.0009400500000000, -0.0010662100000000 ] - [ -0.0004137600000000, -0.0070655600000000, -0.0064265600000000 ] - [ -0.0009230700000000, 0.0019025600000000, -0.0029698300000000 ] - [ -0.0000533400000000, -0.0011730000000000, -0.0015800000000000 ] - [ 0.0000639800000000, -0.0000817000000000, -0.0018957700000000 ] - [ -0.0001261600000000, 0.0001932600000000, -0.0030508100000000 ] - [ -0.0021739800000000, 0.0042868100000000, -0.0033225100000000 ] - [ -0.0000527100000000, 0.0012535100000000, -0.0040869900000000 ] - [ 0.0009408800000000, -0.0012171700000000, -0.0013542700000000 ] - [ -0.0003354000000000, 0.0001053800000000, -0.0007785300000000 ] - [ 0.0057130700000000, 0.0069539800000000, -0.0032073600000000 ] - [ 0.0001891400000000, 0.0001369200000000, -0.0018458700000000 ] - [ 0.0002532900000000, -0.0001531600000000, -0.0014673200000000 ] - [ -0.0016562700000000, -0.0020075700000000, 0.0013670200000000 ] - [ 0.0003979200000000, -0.0005904600000000, -0.0020390900000000 ] - [ -0.0008709800000000, 0.0022583500000000, 0.0030684800000000 ] - [ -0.0005682500000000, -0.0010406700000000, 0.0015840600000000 ] - [ 0.0004572600000000, 0.0006117000000000, -0.0018900400000000 ] - [ -0.0005303300000000, -0.0000001500000000, 0.0055641200000000 ] - [ 0.0007830800000000, 0.0000478000000000, -0.0020583600000000 ] - [ 0.0031964100000000, 0.0001590900000000, -0.0034294000000000 ] - [ -0.0016547000000000, -0.0027815100000000, 0.0070542700000000 ] - [ -0.0003131000000000, 0.0001737600000000, -0.0025871900000000 ] - [ 0.0059966000000000, -0.0377997500000000, 0.0033560300000000 ] - [ 0.0019701800000000, -0.0006903400000000, 0.0043407900000000 ] - [ -0.0003032000000000, -0.0001554500000000, -0.0024704000000000 ] - [ 0.0145972200000000, 0.0208518200000000, 0.1173338400000000 ] - [ 0.0001555200000000, 0.0005720800000000, -0.0019120100000000 ] - [ 0.0001881600000000, -0.0005917300000000, -0.0018407600000000 ] - [ 0.0006812000000000, 0.0004245400000000, 0.0056469300000000 ] - [ 0.0006099400000000, -0.0005566300000000, -0.0018265600000000 ] - [ -0.0221519700000000, 0.0248942300000000, 0.0059012800000000 ] - [ 0.0054198900000000, -0.0031229500000000, 0.0060033300000000 ] - [ 0.0005759800000000, 0.0005635400000000, -0.0018871000000000 ] - [ -0.0015393500000000, -0.0026028900000000, -0.0012348000000000 ] - [ 0.0008542000000000, 0.0015455700000000, -0.0009116000000000 ] - [ 0.0010756800000000, -0.0017077600000000, -0.0006995700000000 ] - [ -0.0005165100000000, 0.0025115300000000, -0.0016366600000000 ] - [ -0.0006976800000000, -0.0001039500000000, 0.0021806300000000 ] - [ -0.0002619800000000, 0.0005502200000000, -0.0015072900000000 ] - [ 0.0002662900000000, -0.0012481000000000, -0.0007003000000000 ] - [ -0.0000708300000000, 0.0000603200000000, 0.0021131200000000 ] - [ 0.0002145900000000, -0.0000683400000000, 0.0026706800000000 ] - [ 0.0010840400000000, 0.0018288500000000, -0.0051892700000000 ] - [ -0.0014669700000000, -0.0000131900000000, -0.0058176800000000 ] - [ 0.0001688400000000, -0.0000610800000000, 0.0025435600000000 ] - [ 0.0033914700000000, 0.0022466500000000, -0.0097672700000000 ] - [ 0.0002676200000000, -0.0000622800000000, 0.0029716600000000 ] - [ -0.0056422300000000, -0.0029671700000000, -0.0115961100000000 ] - [ 0.0005400900000000, 0.0001693400000000, 0.0029707000000000 ] - [ 0.0079405600000000, -0.0127800400000000, -0.0410587200000000 ] - [ 0.0001132500000000, -0.0000565800000000, 0.0037984000000000 ] - [ -0.0001970800000000, 0.0000042700000000, 0.0036720600000000 ] - [ 0.0023487500000000, 0.0017815100000000, -0.0027251800000000 ] - [ 0.0011217700000000, -0.0001661200000000, 0.0034291000000000 ] - [ 0.0008521300000000, -0.0008494000000000, 0.0005829500000000 ] - [ -0.0010459300000000, 0.0022481500000000, 0.0057511600000000 ] - [ -0.0005065200000000, 0.0000440200000000, 0.0040311100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004706000000000, -0.0000288200000000, 0.0007080600000000 ] - [ -0.0012318700000000, 0.0002212800000000, 0.0001203000000000 ] - [ 0.0004545300000000, 0.0005902900000000, 0.0014069600000000 ] - [ 0.0003742100000000, -0.0000026000000000, 0.0002094800000000 ] - [ 0.0007474300000000, 0.0017807100000000, 0.0031566300000000 ] - [ 0.0000674900000000, 0.0002086100000000, 0.0003506700000000 ] - [ 0.0015722900000000, -0.0020668600000000, 0.0028067100000000 ] - [ 0.0001270100000000, 0.0006858200000000, 0.0009283800000000 ] - [ -0.0007838600000000, -0.0019390200000000, -0.0001781900000000 ] - [ 0.0027464100000000, -0.0003842100000000, -0.0025880200000000 ] - [ 0.0000954000000000, 0.0004657600000000, 0.0007979200000000 ] - [ 0.0003475300000000, -0.0000868900000000, 0.0010947100000000 ] - [ -0.0073950600000000, 0.0025169500000000, 0.0056961000000000 ] - [ 0.0005839700000000, 0.0001196000000000, 0.0006022100000000 ] - [ -0.0018375900000000, -0.0040940600000000, -0.0004720300000000 ] - [ 0.1347265700000000, -0.0270789300000000, -0.0907283600000000 ] - [ -0.0018519200000000, -0.0016446700000000, 0.0022702800000000 ] - [ 0.0058200600000000, 0.0041398300000000, -0.0064240700000000 ] - [ -0.0036386200000000, 0.0001641300000000, -0.0009740600000000 ] - [ 0.0003612000000000, 0.0008572400000000, -0.0008236200000000 ] - [ -0.0012875800000000, -0.0011990900000000, -0.0002903200000000 ] - [ 0.0016145700000000, 0.0007052700000000, 0.0013018900000000 ] - [ -0.0000236500000000, -0.0002860000000000, -0.0004091600000000 ] - [ -0.0003008900000000, 0.0000591800000000, -0.0018780900000000 ] - [ -0.0013610800000000, 0.0008101300000000, 0.0000869900000000 ] - [ 0.0012175200000000, -0.0035623400000000, -0.0050828500000000 ] - [ -0.0003417800000000, 0.0002764400000000, -0.0002997700000000 ] - [ 0.0005712500000000, -0.0009468300000000, -0.0011132600000000 ] - [ -0.0001408600000000, 0.0000192600000000, 0.0007924700000000 ] - [ -0.0000440800000000, -0.0001646900000000, -0.0021734000000000 ] - [ -0.0011930100000000, 0.0003730600000000, 0.0013938000000000 ] - [ 0.0007117100000000, -0.0010475900000000, -0.0013520500000000 ] - [ 0.0000434200000000, 0.0000761800000000, -0.0005135900000000 ] - [ 0.0006360600000000, -0.0000706400000000, 0.0000662800000000 ] - [ -0.0000801600000000, -0.0012442400000000, -0.0011873700000000 ] - [ 0.0001833400000000, 0.0000922200000000, -0.0001349600000000 ] - [ 0.0000382700000000, -0.0000608900000000, -0.0014178300000000 ] - [ 0.0090966500000000, -0.0001576000000000, 0.0010871200000000 ] - [ -0.0023391900000000, 0.0022942800000000, 0.0007609300000000 ] - [ -0.0001396800000000, 0.0000771200000000, -0.0003813100000000 ] - [ 0.0044037400000000, -0.0021999000000000, -0.0000559900000000 ] - [ -0.0003633700000000, 0.0004359600000000, -0.0009601300000000 ] - [ -0.0003568600000000, -0.0005960800000000, -0.0008993900000000 ] - [ -0.0016304900000000, -0.0018895300000000, 0.0000549500000000 ] - [ -0.0006648100000000, -0.0001135500000000, -0.0009462500000000 ] - [ 0.0163560900000000, -0.0024893700000000, 0.0008175300000000 ] - [ 0.0002083100000000, 0.0000640400000000, -0.0012667400000000 ] - [ -0.0003762400000000, 0.0000867200000000, -0.0008145600000000 ] - [ 0.0085318200000000, 0.0092558600000000, -0.0363153700000000 ] - [ 0.0004394700000000, 0.0001687800000000, -0.0010409000000000 ] - [ 0.0002916000000000, -0.0002176000000000, -0.0009251200000000 ] - [ 0.0000519000000000, 0.0013882400000000, 0.0015245200000000 ] - [ -0.0000948700000000, -0.0003606400000000, -0.0007397700000000 ] - [ 0.0208579000000000, -0.0356081500000000, -0.0224369900000000 ] - [ 0.0031087000000000, 0.0053471400000000, 0.0053047000000000 ] - [ -0.0002130800000000, 0.0003073400000000, -0.0007056300000000 ] - [ -0.2077549700000000, 0.0367370600000000, 0.1546530200000000 ] - [ -0.0001011800000000, 0.0005414200000000, -0.0005774000000000 ] - [ -0.0001425200000000, -0.0005470500000000, -0.0005501800000000 ] - [ 0.0022562000000000, 0.0012409700000000, 0.0006852300000000 ] - [ -0.0008579000000000, -0.0016070500000000, 0.0004597000000000 ] - [ 0.0022680600000000, 0.0016089800000000, -0.0006514700000000 ] - [ 0.0004163000000000, -0.0008610800000000, -0.0000022200000000 ] - [ -0.0013469700000000, 0.0019656300000000, -0.0002310400000000 ] - [ -0.0014746800000000, 0.0004715200000000, -0.0009306700000000 ] - [ 0.0005216800000000, -0.0000593300000000, 0.0003219500000000 ] - [ 0.0000822300000000, 0.0002666000000000, 0.0004445100000000 ] - [ 0.0062955400000000, 0.0031724900000000, 0.0012999800000000 ] - [ -0.0018493700000000, -0.0021765800000000, -0.0013692600000000 ] - [ -0.0003489100000000, -0.0000608200000000, 0.0009611900000000 ] - [ -0.0000345500000000, -0.0000218900000000, 0.0010944200000000 ] - [ 0.0050872400000000, 0.0024240400000000, -0.0045541000000000 ] - [ -0.0005766200000000, 0.0001176000000000, 0.0013606400000000 ] - [ 0.0056010600000000, 0.0009594300000000, -0.0000595800000000 ] - [ -0.0002673100000000, -0.0000868300000000, 0.0012984300000000 ] - [ -0.0072936400000000, 0.0002516000000000, -0.0003847700000000 ] - [ -0.0002098400000000, -0.0003682000000000, 0.0015116300000000 ] - [ -0.0027021500000000, 0.0072300200000000, -0.0099922300000000 ] - [ 0.0121538100000000, 0.0042679400000000, -0.0024024600000000 ] - [ 0.0003174600000000, 0.0001424600000000, 0.0015301700000000 ] - [ -0.0006764700000000, -0.0003622800000000, -0.0003016000000000 ] - [ 0.0010048900000000, 0.0002713200000000, 0.0011729400000000 ] - [ -0.0015921400000000, 0.0003617100000000, 0.0009536900000000 ] - [ 0.0020583100000000, 0.0000736800000000, 0.0064490500000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000730400000000, -0.0007440100000000, -0.0011323000000000 ] - [ -0.0004174800000000, 0.0000590300000000, 0.0007384700000000 ] - [ 0.0011988300000000, -0.0008727900000000, -0.0005504100000000 ] - [ 0.0012740200000000, 0.0002748400000000, 0.0006367200000000 ] - [ -0.0024132900000000, -0.0020745200000000, -0.0023167500000000 ] - [ -0.0000500900000000, 0.0003132900000000, -0.0004927800000000 ] - [ -0.0016037100000000, 0.0015649200000000, -0.0029701700000000 ] - [ -0.0001444900000000, -0.0001584700000000, -0.0010545900000000 ] - [ 0.0008053600000000, 0.0014234900000000, 0.0000358400000000 ] - [ -0.0023941000000000, -0.0006526900000000, 0.0030385300000000 ] - [ -0.0004392300000000, 0.0006009400000000, -0.0003565900000000 ] - [ -0.0006902800000000, -0.0009800600000000, -0.0006532900000000 ] - [ 0.0077496200000000, -0.0014711800000000, -0.0052826800000000 ] - [ -0.0001857600000000, 0.0006517500000000, -0.0010249600000000 ] - [ 0.0014394600000000, 0.0033443300000000, 0.0000589800000000 ] - [ -0.1303922800000000, 0.0259306300000000, 0.0836570000000000 ] - [ 0.0023974200000000, 0.0015676800000000, -0.0023455600000000 ] - [ -0.0063812400000000, -0.0033996100000000, 0.0055479700000000 ] - [ 0.0031616800000000, -0.0009173100000000, -0.0000033400000000 ] - [ 0.0001292900000000, -0.0000876000000000, -0.0001111600000000 ] - [ 0.0014073100000000, 0.0005835300000000, 0.0002178600000000 ] - [ -0.0014815000000000, -0.0001294300000000, -0.0008028400000000 ] - [ -0.0001048600000000, -0.0002931500000000, 0.0008938800000000 ] - [ 0.0001721200000000, 0.0005217400000000, 0.0023894000000000 ] - [ 0.0014930900000000, -0.0013959300000000, 0.0004142300000000 ] - [ -0.0017103200000000, 0.0027316200000000, 0.0048114200000000 ] - [ 0.0008305200000000, 0.0005877400000000, -0.0000103500000000 ] - [ -0.0000826700000000, 0.0000835200000000, 0.0007968400000000 ] - [ -0.0003548300000000, 0.0008367300000000, -0.0011137800000000 ] - [ 0.0002259700000000, 0.0001226800000000, 0.0015303000000000 ] - [ 0.0010195800000000, -0.0003230900000000, -0.0020356000000000 ] - [ -0.0008898500000000, 0.0010017900000000, 0.0006945200000000 ] - [ 0.0001341100000000, -0.0000323200000000, -0.0001403800000000 ] - [ -0.0005334000000000, 0.0006978400000000, -0.0001418900000000 ] - [ -0.0000306900000000, 0.0006236000000000, 0.0011160200000000 ] - [ -0.0002912700000000, 0.0005366700000000, 0.0000627300000000 ] - [ -0.0001547700000000, 0.0001956500000000, 0.0016975400000000 ] - [ -0.0089614400000000, 0.0000162900000000, -0.0007837500000000 ] - [ 0.0024764500000000, -0.0021862000000000, -0.0004935500000000 ] - [ 0.0000226900000000, -0.0002120400000000, 0.0006617600000000 ] - [ -0.0037369700000000, 0.0010201400000000, -0.0005048100000000 ] - [ -0.0003159600000000, 0.0007757500000000, 0.0003921900000000 ] - [ -0.0003222300000000, -0.0006153800000000, 0.0003315300000000 ] - [ 0.0023245800000000, 0.0030607500000000, -0.0006333400000000 ] - [ 0.0001152800000000, 0.0000429900000000, 0.0008772800000000 ] - [ -0.0160050200000000, 0.0025933100000000, -0.0009230000000000 ] - [ 0.0002829300000000, -0.0008363300000000, 0.0003319800000000 ] - [ -0.0001737700000000, -0.0000161700000000, 0.0007458900000000 ] - [ -0.0095554100000000, -0.0102410800000000, 0.0360170700000000 ] - [ 0.0003947500000000, 0.0008330900000000, 0.0009519300000000 ] - [ 0.0005448800000000, -0.0007832800000000, 0.0008323700000000 ] - [ -0.0008850500000000, -0.0004033400000000, -0.0016265300000000 ] - [ -0.0002468400000000, 0.0000238800000000, 0.0008001100000000 ] - [ -0.0205661700000000, 0.0355595500000000, 0.0221695000000000 ] - [ -0.0027741700000000, -0.0057218600000000, -0.0052923600000000 ] - [ -0.0001279900000000, 0.0000304900000000, 0.0007656500000000 ] - [ 0.2039501700000000, -0.0350769000000000, -0.1474291100000000 ] - [ 0.0004191500000000, 0.0006420600000000, 0.0011326000000000 ] - [ 0.0004598600000000, -0.0006364000000000, 0.0011042100000000 ] - [ -0.0025808500000000, -0.0000635600000000, -0.0001402300000000 ] - [ -0.0007840900000000, -0.0002873300000000, 0.0002851000000000 ] - [ -0.0006368500000000, 0.0002881200000000, 0.0014100100000000 ] - [ 0.0012205300000000, -0.0010382600000000, 0.0007546200000000 ] - [ -0.0002805800000000, -0.0000801000000000, 0.0009881800000000 ] - [ 0.0008684300000000, -0.0001548200000000, -0.0002249900000000 ] - [ 0.0000787800000000, -0.0002587900000000, -0.0014842700000000 ] - [ 0.0005177300000000, 0.0000501400000000, -0.0016078900000000 ] - [ -0.0069077800000000, -0.0034460400000000, -0.0023876400000000 ] - [ 0.0022301100000000, 0.0021422100000000, 0.0010703400000000 ] - [ -0.0000157700000000, 0.0001079000000000, -0.0012747100000000 ] - [ -0.0003356500000000, -0.0000246400000000, -0.0014093100000000 ] - [ -0.0048126400000000, -0.0022721900000000, 0.0041463300000000 ] - [ -0.0003455700000000, 0.0002228800000000, -0.0005956100000000 ] - [ -0.0046865900000000, -0.0013233900000000, 0.0008139400000000 ] - [ -0.0006561500000000, -0.0002527200000000, -0.0005309400000000 ] - [ 0.0082293000000000, 0.0000812400000000, 0.0011723900000000 ] - [ 0.0002457100000000, -0.0001854100000000, -0.0013811400000000 ] - [ 0.0027347500000000, -0.0066983500000000, 0.0101671200000000 ] - [ -0.0129475000000000, -0.0054525700000000, 0.0030899600000000 ] - [ -0.0002816700000000, 0.0004123300000000, -0.0014003900000000 ] - [ 0.0002148000000000, -0.0010780100000000, 0.0007129100000000 ] - [ -0.0005522100000000, 0.0011681300000000, -0.0007643200000000 ] - [ 0.0020716100000000, -0.0018191100000000, -0.0005633600000000 ] - [ -0.0025268200000000, 0.0013711700000000, -0.0060725600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002480400000000, -0.0002667900000000, -0.0000843400000000 ] - [ -0.0005237500000000, -0.0008926500000000, 0.0001011200000000 ] - [ 0.0005815800000000, 0.0000411300000000, -0.0005948800000000 ] - [ 0.0010774300000000, 0.0005756600000000, 0.0001891600000000 ] - [ -0.0002589800000000, 0.0005641400000000, -0.0000503800000000 ] - [ 0.0005707600000000, -0.0010198100000000, 0.0009172100000000 ] - [ 0.0008629200000000, -0.0017425500000000, 0.0021225400000000 ] - [ 0.0011571200000000, 0.0037270500000000, 0.0022491600000000 ] - [ -0.0000511200000000, 0.0002422900000000, 0.0009827700000000 ] - [ -0.0030058400000000, -0.0084849800000000, 0.0001719400000000 ] - [ -0.0001353900000000, 0.0004672400000000, 0.0002798800000000 ] - [ -0.0000968900000000, -0.0002306100000000, 0.0004003800000000 ] - [ -0.0009607900000000, 0.0051853000000000, -0.0009655400000000 ] - [ 0.0002313500000000, 0.0001442700000000, -0.0000624700000000 ] - [ 0.0000474300000000, -0.0047920300000000, -0.0015370500000000 ] - [ -0.0305753100000000, 0.0639786600000000, 0.0303702000000000 ] - [ 0.0018297700000000, 0.0039474900000000, -0.0006160900000000 ] - [ 0.0014783900000000, 0.0023458400000000, -0.0042081300000000 ] - [ -0.0009440600000000, -0.0003117700000000, -0.0061535200000000 ] - [ 0.0002882400000000, 0.0005948700000000, -0.0010585900000000 ] - [ -0.0012052900000000, 0.0001987700000000, 0.0012671500000000 ] - [ -0.0011649100000000, 0.0005882800000000, -0.0012291800000000 ] - [ -0.0001842600000000, -0.0007261900000000, -0.0012270300000000 ] - [ -0.0001207300000000, 0.0000717400000000, -0.0008668800000000 ] - [ 0.0005457400000000, 0.0009618000000000, -0.0011314500000000 ] - [ -0.0016675800000000, -0.0024652100000000, 0.0000791300000000 ] - [ -0.0001151400000000, 0.0000670500000000, -0.0000426800000000 ] - [ 0.0002131300000000, -0.0002340600000000, 0.0003839700000000 ] - [ 0.0001517800000000, 0.0031012300000000, -0.0005166400000000 ] - [ -0.0001544100000000, -0.0005138100000000, 0.0001325200000000 ] - [ -0.0007126600000000, -0.0015218900000000, -0.0001219100000000 ] - [ -0.0004000300000000, 0.0009625300000000, 0.0010122700000000 ] - [ -0.0001799800000000, 0.0004231700000000, -0.0002162900000000 ] - [ 0.0004972600000000, 0.0008348300000000, 0.0007249800000000 ] - [ 0.0000443800000000, -0.0009810900000000, 0.0005731200000000 ] - [ -0.0003639100000000, 0.0000117500000000, 0.0003885800000000 ] - [ 0.0000222200000000, -0.0000447000000000, -0.0003276200000000 ] - [ 0.0016545100000000, -0.0042715200000000, 0.0000852400000000 ] - [ 0.0004407100000000, 0.0057544200000000, 0.0004360800000000 ] - [ -0.0000872200000000, 0.0000710400000000, 0.0001246600000000 ] - [ 0.0039355000000000, -0.0015857400000000, -0.0001482600000000 ] - [ -0.0003232800000000, 0.0004214900000000, -0.0003432900000000 ] - [ -0.0003115100000000, -0.0005877300000000, -0.0003398400000000 ] - [ -0.0011767800000000, 0.0119682600000000, 0.0007994600000000 ] - [ -0.0003527500000000, -0.0001931700000000, -0.0001773900000000 ] - [ -0.0007282900000000, -0.0041000500000000, 0.0008064900000000 ] - [ 0.0001087000000000, -0.0000279900000000, -0.0010355600000000 ] - [ -0.0002956800000000, 0.0001470100000000, -0.0001243000000000 ] - [ 0.0121339300000000, -0.0116076700000000, -0.0207944100000000 ] - [ 0.0004441900000000, 0.0003066100000000, -0.0001866300000000 ] - [ 0.0004190200000000, -0.0002844700000000, -0.0003094400000000 ] - [ -0.0010480800000000, 0.0036962000000000, 0.0009825800000000 ] - [ -0.0001176800000000, -0.0002031300000000, -0.0000015800000000 ] - [ -0.0372301600000000, 0.0179503000000000, 0.0241743100000000 ] - [ 0.0029729600000000, 0.0038622800000000, 0.0025590100000000 ] - [ -0.0001527500000000, 0.0003371200000000, 0.0000048100000000 ] - [ 0.0358399200000000, -0.0960425900000000, -0.0356942300000000 ] - [ 0.0001099600000000, 0.0005001700000000, 0.0001553500000000 ] - [ 0.0001156900000000, -0.0004649500000000, 0.0001527900000000 ] - [ -0.0008132200000000, 0.0032439400000000, 0.0000619200000000 ] - [ -0.0009806100000000, -0.0034978700000000, 0.0012073200000000 ] - [ 0.0015044000000000, 0.0000922800000000, 0.0001173200000000 ] - [ 0.0005746800000000, 0.0001292900000000, 0.0007038800000000 ] - [ -0.0010837100000000, 0.0021751700000000, 0.0000911400000000 ] - [ 0.0005018000000000, -0.0017083700000000, -0.0014037000000000 ] - [ 0.0002620300000000, -0.0001813500000000, -0.0006682100000000 ] - [ 0.0003003600000000, 0.0004070000000000, -0.0005588700000000 ] - [ 0.0012013400000000, 0.0079081200000000, 0.0017754600000000 ] - [ -0.0010567500000000, -0.0030515500000000, 0.0003937300000000 ] - [ -0.0001786800000000, -0.0000746200000000, 0.0001738100000000 ] - [ -0.0002031200000000, 0.0002138000000000, 0.0001446800000000 ] - [ 0.0039675700000000, 0.0020212500000000, 0.0030880000000000 ] - [ -0.0004387000000000, -0.0001528900000000, 0.0002825000000000 ] - [ -0.0009734100000000, -0.0039855100000000, -0.0044741800000000 ] - [ -0.0005157700000000, -0.0000514100000000, 0.0000449800000000 ] - [ 0.0016362600000000, 0.0031739600000000, -0.0026084300000000 ] - [ -0.0000439500000000, -0.0006192500000000, 0.0002856700000000 ] - [ 0.0051429800000000, -0.0085059400000000, 0.0076022100000000 ] - [ 0.0069729600000000, 0.0121555100000000, -0.0035671300000000 ] - [ 0.0001005600000000, 0.0002741500000000, 0.0004004600000000 ] - [ 0.0000418700000000, -0.0019481300000000, -0.0000505900000000 ] - [ 0.0003406600000000, -0.0016362500000000, 0.0009461400000000 ] - [ -0.0001004500000000, 0.0013214300000000, 0.0008668300000000 ] - [ 0.0004634700000000, 0.0018444000000000, 0.0026837900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001474300000000, -0.0005070700000000, -0.0003468600000000 ] - [ -0.0011266900000000, 0.0011647400000000, 0.0007445500000000 ] - [ 0.0010753500000000, -0.0003300400000000, 0.0014464900000000 ] - [ 0.0005702100000000, -0.0003070400000000, 0.0006538800000000 ] - [ -0.0013936500000000, -0.0008439900000000, 0.0008830800000000 ] - [ -0.0005530900000000, 0.0015414400000000, -0.0010613500000000 ] - [ -0.0008801200000000, 0.0012206000000000, -0.0022666400000000 ] - [ -0.0011739200000000, -0.0032019900000000, -0.0023889500000000 ] - [ 0.0000781500000000, -0.0007411800000000, -0.0011230300000000 ] - [ 0.0033104400000000, 0.0073968300000000, 0.0003010500000000 ] - [ -0.0002103600000000, 0.0005989100000000, 0.0001570800000000 ] - [ -0.0002507200000000, -0.0008411800000000, 0.0000329500000000 ] - [ 0.0013093800000000, -0.0040998500000000, 0.0014302700000000 ] - [ 0.0001632700000000, 0.0006293200000000, -0.0003682300000000 ] - [ -0.0004452300000000, 0.0040389500000000, 0.0011285500000000 ] - [ 0.0301275900000000, -0.0625742500000000, -0.0307043000000000 ] - [ -0.0012553700000000, -0.0040001000000000, 0.0005146800000000 ] - [ -0.0019829200000000, -0.0015742700000000, 0.0032706000000000 ] - [ 0.0004646900000000, -0.0004457800000000, 0.0052312600000000 ] - [ 0.0002022000000000, 0.0001703000000000, 0.0001261000000000 ] - [ 0.0013088600000000, -0.0008164800000000, -0.0013250200000000 ] - [ 0.0012753100000000, -0.0000186800000000, 0.0017125100000000 ] - [ 0.0000513900000000, 0.0001438600000000, 0.0017300300000000 ] - [ -0.0000103700000000, 0.0005075000000000, 0.0013674400000000 ] - [ -0.0004031200000000, -0.0015581900000000, 0.0016295100000000 ] - [ 0.0011555000000000, 0.0016108100000000, -0.0003663100000000 ] - [ 0.0006100400000000, 0.0007972800000000, -0.0002605600000000 ] - [ 0.0002732100000000, -0.0006253400000000, -0.0006941100000000 ] - [ -0.0006356300000000, -0.0022227900000000, 0.0001991200000000 ] - [ 0.0003314600000000, 0.0004655500000000, -0.0007693300000000 ] - [ 0.0005510600000000, 0.0015727300000000, -0.0005194800000000 ] - [ 0.0002170700000000, -0.0010017300000000, -0.0016657000000000 ] - [ 0.0003582800000000, -0.0003772100000000, -0.0004292500000000 ] - [ -0.0003833600000000, -0.0002068400000000, -0.0007899000000000 ] - [ -0.0001568600000000, 0.0003689700000000, -0.0006395400000000 ] - [ 0.0002565600000000, 0.0006214600000000, -0.0004582100000000 ] - [ -0.0001405700000000, 0.0001792100000000, 0.0006235000000000 ] - [ -0.0015934400000000, 0.0041397900000000, 0.0001666700000000 ] - [ -0.0003129000000000, -0.0056328700000000, -0.0001475800000000 ] - [ -0.0000289500000000, -0.0002064700000000, 0.0001597200000000 ] - [ -0.0032400000000000, 0.0003635000000000, -0.0004449000000000 ] - [ -0.0003553300000000, 0.0007918200000000, -0.0002188900000000 ] - [ -0.0003672300000000, -0.0006231600000000, -0.0002228600000000 ] - [ 0.0018164200000000, -0.0106519300000000, -0.0013674400000000 ] - [ -0.0001939100000000, 0.0001224700000000, 0.0001175500000000 ] - [ 0.0012829700000000, 0.0041649200000000, -0.0009073400000000 ] - [ 0.0003828700000000, -0.0007491800000000, 0.0001068100000000 ] - [ -0.0002530100000000, -0.0000764100000000, 0.0000619100000000 ] - [ -0.0131295400000000, 0.0104293200000000, 0.0209170600000000 ] - [ 0.0003926300000000, 0.0006961400000000, 0.0001039200000000 ] - [ 0.0004174100000000, -0.0007190100000000, 0.0002272400000000 ] - [ 0.0002101600000000, -0.0027024500000000, -0.0010951600000000 ] - [ -0.0002234900000000, -0.0001338300000000, 0.0000692600000000 ] - [ 0.0380126800000000, -0.0176240100000000, -0.0244207000000000 ] - [ -0.0026650500000000, -0.0042258600000000, -0.0025457900000000 ] - [ -0.0001884300000000, -0.0000012600000000, 0.0000628700000000 ] - [ -0.0359313900000000, 0.0939735100000000, 0.0357641000000000 ] - [ 0.0002104200000000, 0.0006827100000000, 0.0004069000000000 ] - [ 0.0002047700000000, -0.0007188500000000, 0.0004089200000000 ] - [ 0.0004911000000000, -0.0020644800000000, 0.0004766700000000 ] - [ -0.0006521800000000, 0.0015894300000000, -0.0004460300000000 ] - [ 0.0001146500000000, 0.0017992500000000, 0.0006470800000000 ] - [ 0.0010653500000000, -0.0020295100000000, 0.0000517200000000 ] - [ -0.0005530700000000, -0.0002761500000000, 0.0006657000000000 ] - [ -0.0010880800000000, 0.0020249200000000, 0.0002476300000000 ] - [ 0.0003378400000000, -0.0001386400000000, -0.0005016000000000 ] - [ 0.0003006200000000, -0.0000919800000000, -0.0006128100000000 ] - [ -0.0016747400000000, -0.0079770800000000, -0.0025717000000000 ] - [ 0.0014299900000000, 0.0030367800000000, -0.0006709900000000 ] - [ -0.0001889500000000, 0.0001205700000000, -0.0004960500000000 ] - [ -0.0001640300000000, -0.0002598600000000, -0.0004678400000000 ] - [ -0.0037358600000000, -0.0017734800000000, -0.0035158800000000 ] - [ -0.0004830100000000, 0.0004906900000000, 0.0004724900000000 ] - [ 0.0018718600000000, 0.0036302100000000, 0.0052657400000000 ] - [ -0.0004078900000000, -0.0002879000000000, 0.0007070800000000 ] - [ -0.0006684500000000, -0.0028598000000000, 0.0033786300000000 ] - [ 0.0000821600000000, 0.0000672900000000, -0.0001673700000000 ] - [ -0.0052261500000000, 0.0090375200000000, -0.0074224100000000 ] - [ -0.0073106000000000, -0.0127738700000000, 0.0039494500000000 ] - [ -0.0000671600000000, 0.0002835500000000, -0.0002845800000000 ] - [ -0.0005021000000000, 0.0005029500000000, 0.0004654500000000 ] - [ 0.0001190400000000, 0.0030714300000000, -0.0005551900000000 ] - [ 0.0005680500000000, -0.0027570100000000, -0.0004640100000000 ] - [ -0.0009414900000000, -0.0003982000000000, -0.0023593500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007360200000000, -0.0012268400000000, -0.0026774500000000 ] - [ -0.0004875000000000, -0.0007943200000000, -0.0007573900000000 ] - [ 0.0015172500000000, -0.0013478900000000, -0.0007815600000000 ] - [ 0.0002023400000000, -0.0013081200000000, -0.0024993900000000 ] - [ -0.0011770100000000, -0.0012205400000000, -0.0033530900000000 ] - [ -0.0003968000000000, 0.0009458400000000, -0.0023733300000000 ] - [ -0.0006329800000000, 0.0004204400000000, -0.0017597700000000 ] - [ -0.0000287500000000, -0.0007428100000000, -0.0048910700000000 ] - [ 0.0009649100000000, 0.0016461600000000, -0.0022481100000000 ] - [ -0.0027275900000000, -0.0008869400000000, 0.0042496000000000 ] - [ -0.0009936400000000, 0.0007797000000000, -0.0014098200000000 ] - [ -0.0012330400000000, -0.0013039400000000, -0.0018925200000000 ] - [ -0.0011729600000000, -0.0010866300000000, 0.0062494200000000 ] - [ -0.0008156400000000, 0.0010815500000000, -0.0024836200000000 ] - [ -0.0007804400000000, 0.0003144600000000, 0.0028390700000000 ] - [ -0.0822536100000000, 0.0243262400000000, 0.1382433100000000 ] - [ 0.0020921500000000, 0.0011245700000000, -0.0044033200000000 ] - [ -0.0029136400000000, -0.0018175500000000, 0.0022390000000000 ] - [ 0.0016133300000000, -0.0065127500000000, 0.0071755700000000 ] - [ 0.0000202400000000, -0.0005918900000000, 0.0018237600000000 ] - [ -0.0007145600000000, 0.0009282500000000, 0.0017922100000000 ] - [ 0.0000760300000000, -0.0008247800000000, 0.0013496300000000 ] - [ -0.0006359500000000, -0.0009003400000000, 0.0041545700000000 ] - [ 0.0000907300000000, 0.0001924300000000, 0.0022606800000000 ] - [ 0.0005199200000000, -0.0028468800000000, 0.0022032500000000 ] - [ -0.0035378900000000, 0.0017605100000000, 0.0044432200000000 ] - [ 0.0008812000000000, 0.0001714500000000, 0.0027445100000000 ] - [ -0.0000428400000000, 0.0003988600000000, 0.0015330700000000 ] - [ 0.0006251500000000, 0.0025556200000000, -0.0005797800000000 ] - [ -0.0000455100000000, -0.0003589700000000, 0.0027209500000000 ] - [ 0.0016507800000000, 0.0015043300000000, 0.0028916500000000 ] - [ -0.0004864600000000, 0.0006878400000000, 0.0002535400000000 ] - [ 0.0001494900000000, 0.0002620000000000, 0.0010854300000000 ] - [ 0.0005508900000000, 0.0014335800000000, 0.0009399800000000 ] - [ -0.0003901200000000, 0.0013372600000000, 0.0013980300000000 ] - [ 0.0003628600000000, 0.0016032800000000, 0.0011773100000000 ] - [ -0.0000682400000000, 0.0004489300000000, 0.0030668600000000 ] - [ 0.0027681300000000, 0.0006954400000000, -0.0028135700000000 ] - [ 0.0013008100000000, -0.0023102900000000, -0.0022129300000000 ] - [ 0.0001321600000000, -0.0004879000000000, 0.0018203400000000 ] - [ 0.0017466800000000, 0.0004178900000000, -0.0049389000000000 ] - [ -0.0002592200000000, 0.0009129600000000, 0.0014297900000000 ] - [ -0.0003119500000000, -0.0006247800000000, 0.0013934200000000 ] - [ -0.0003205600000000, 0.0029995300000000, -0.0053572300000000 ] - [ 0.0003329700000000, 0.0000786900000000, 0.0024435700000000 ] - [ -0.0004072200000000, 0.0010109200000000, -0.0082822500000000 ] - [ 0.0003177200000000, -0.0008661000000000, 0.0020027800000000 ] - [ 0.0001515500000000, -0.0000350300000000, 0.0020313100000000 ] - [ -0.0359578700000000, -0.0153076500000000, 0.0397075000000000 ] - [ 0.0006577000000000, 0.0012146200000000, 0.0026455600000000 ] - [ 0.0005723300000000, -0.0012116300000000, 0.0024227300000000 ] - [ 0.0002278000000000, -0.0013755500000000, -0.0025077100000000 ] - [ -0.0001498400000000, 0.0002931400000000, 0.0021389000000000 ] - [ -0.0237972500000000, 0.0247881900000000, -0.0055946500000000 ] - [ 0.0003283100000000, -0.0004449500000000, -0.0057185800000000 ] - [ -0.0002064400000000, -0.0002403900000000, 0.0021995300000000 ] - [ 0.1471952100000000, -0.0356491600000000, -0.2084472900000000 ] - [ 0.0010048200000000, 0.0007218000000000, 0.0026840900000000 ] - [ 0.0009775500000000, -0.0007241500000000, 0.0025102500000000 ] - [ 0.0002645400000000, 0.0008040200000000, -0.0035980300000000 ] - [ 0.0000237600000000, -0.0009771900000000, 0.0030308200000000 ] - [ -0.0009574900000000, 0.0006195900000000, 0.0028077600000000 ] - [ 0.0013756000000000, -0.0014918900000000, 0.0013393700000000 ] - [ -0.0008682600000000, 0.0006143100000000, 0.0009214200000000 ] - [ 0.0003218300000000, -0.0009004200000000, 0.0017757800000000 ] - [ 0.0002287800000000, -0.0004326800000000, -0.0029856800000000 ] - [ 0.0002750500000000, -0.0001317500000000, -0.0032985000000000 ] - [ 0.0013537400000000, 0.0040798700000000, 0.0114063100000000 ] - [ 0.0018638400000000, 0.0038128300000000, 0.0042405800000000 ] - [ -0.0003421700000000, 0.0002289700000000, -0.0030753000000000 ] - [ 0.0000037800000000, 0.0000599900000000, -0.0032259600000000 ] - [ -0.0037548300000000, 0.0020287800000000, 0.0080748600000000 ] - [ -0.0003391300000000, -0.0000282400000000, -0.0023224200000000 ] - [ -0.0016767900000000, -0.0047400300000000, -0.0001069000000000 ] - [ -0.0006763400000000, -0.0005093100000000, -0.0029436300000000 ] - [ 0.0051750200000000, -0.0021692100000000, 0.0013531700000000 ] - [ 0.0001939500000000, -0.0000259400000000, -0.0039736200000000 ] - [ -0.0040895500000000, 0.0039154100000000, 0.0128216400000000 ] - [ -0.0021948700000000, -0.0018630800000000, 0.0136160200000000 ] - [ -0.0002508200000000, 0.0007594200000000, -0.0043468800000000 ] - [ -0.0002582400000000, -0.0005448400000000, -0.0007343600000000 ] - [ 0.0005604500000000, 0.0021244800000000, -0.0016559000000000 ] - [ 0.0002349300000000, -0.0003345200000000, -0.0027188000000000 ] - [ -0.0018162300000000, 0.0010937300000000, -0.0106828100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011347900000000, 0.0004590000000000, 0.0022555500000000 ] - [ -0.0011672200000000, 0.0010693400000000, 0.0016146900000000 ] - [ 0.0001331900000000, 0.0010689300000000, 0.0016296300000000 ] - [ 0.0014511900000000, 0.0015943300000000, 0.0033534100000000 ] - [ -0.0004784000000000, 0.0009355800000000, 0.0042012400000000 ] - [ 0.0004166700000000, -0.0004354100000000, 0.0022415300000000 ] - [ 0.0006162300000000, -0.0009383400000000, 0.0016402600000000 ] - [ 0.0000089900000000, 0.0012510900000000, 0.0047423700000000 ] - [ -0.0009489600000000, -0.0021659100000000, 0.0021190600000000 ] - [ 0.0030828800000000, -0.0001663700000000, -0.0038033000000000 ] - [ 0.0006475400000000, 0.0002996100000000, 0.0018444800000000 ] - [ 0.0008868000000000, 0.0002261800000000, 0.0023279200000000 ] - [ 0.0015136500000000, 0.0021679400000000, -0.0057846200000000 ] - [ 0.0012134700000000, -0.0003139800000000, 0.0020607200000000 ] - [ 0.0003754200000000, -0.0010955000000000, -0.0032552400000000 ] - [ 0.0887070600000000, -0.0255951100000000, -0.1439191900000000 ] - [ -0.0015437100000000, -0.0011961400000000, 0.0043242500000000 ] - [ 0.0024252800000000, 0.0025945900000000, -0.0031840400000000 ] - [ -0.0020892300000000, 0.0056734800000000, -0.0080434600000000 ] - [ 0.0004683700000000, 0.0013606500000000, -0.0027605800000000 ] - [ 0.0008165100000000, -0.0015528600000000, -0.0018610700000000 ] - [ 0.0000620600000000, 0.0014047500000000, -0.0008502900000000 ] - [ 0.0005022100000000, 0.0003234800000000, -0.0036440800000000 ] - [ -0.0002203300000000, 0.0003817000000000, -0.0017644500000000 ] - [ -0.0003932900000000, 0.0022756100000000, -0.0016993600000000 ] - [ 0.0030124100000000, -0.0026035200000000, -0.0047278900000000 ] - [ -0.0003978800000000, 0.0006837700000000, -0.0030587600000000 ] - [ 0.0005299100000000, -0.0012560100000000, -0.0018415100000000 ] - [ -0.0011051200000000, -0.0016789300000000, 0.0002590900000000 ] - [ 0.0002233800000000, 0.0003180800000000, -0.0033674900000000 ] - [ -0.0018330000000000, -0.0014690700000000, -0.0035457700000000 ] - [ 0.0003038000000000, -0.0007184600000000, -0.0008941000000000 ] - [ 0.0000296400000000, -0.0002226700000000, -0.0017394100000000 ] - [ -0.0004383600000000, -0.0007994200000000, -0.0010104000000000 ] - [ 0.0002845600000000, -0.0019718200000000, -0.0014616000000000 ] - [ -0.0004712700000000, -0.0009762300000000, -0.0012442600000000 ] - [ -0.0000455500000000, -0.0003145900000000, -0.0027862700000000 ] - [ -0.0026555700000000, -0.0008193800000000, 0.0030622100000000 ] - [ -0.0011835600000000, 0.0024249800000000, 0.0024700400000000 ] - [ -0.0002470700000000, 0.0003544500000000, -0.0015363300000000 ] - [ -0.0010630400000000, -0.0016552500000000, 0.0043487600000000 ] - [ -0.0004268500000000, 0.0003088800000000, -0.0019972700000000 ] - [ -0.0003740400000000, -0.0005985200000000, -0.0019611300000000 ] - [ 0.0010157700000000, -0.0018332900000000, 0.0047626500000000 ] - [ -0.0008836900000000, -0.0001518000000000, -0.0025121800000000 ] - [ 0.0010300500000000, -0.0009400600000000, 0.0081952000000000 ] - [ 0.0001708200000000, 0.0001033900000000, -0.0029385200000000 ] - [ -0.0007018800000000, 0.0001081000000000, -0.0021000400000000 ] - [ 0.0357832800000000, 0.0145807700000000, -0.0402666600000000 ] - [ 0.0001782700000000, -0.0002134400000000, -0.0027376400000000 ] - [ 0.0002626700000000, 0.0002100400000000, -0.0025138100000000 ] - [ -0.0010604800000000, 0.0023856700000000, 0.0024188200000000 ] - [ -0.0001873100000000, -0.0006343300000000, -0.0020760100000000 ] - [ 0.0241149100000000, -0.0243895700000000, 0.0059737300000000 ] - [ 0.0000224200000000, 0.0001209500000000, 0.0057744300000000 ] - [ -0.0001314800000000, 0.0005829400000000, -0.0021366500000000 ] - [ -0.1548906800000000, 0.0358530600000000, 0.2138679500000000 ] - [ -0.0006965300000000, 0.0004659800000000, -0.0021356700000000 ] - [ -0.0006684400000000, -0.0004633200000000, -0.0019612100000000 ] - [ -0.0005702300000000, 0.0003849800000000, 0.0041319800000000 ] - [ -0.0016551300000000, -0.0009110100000000, -0.0022744100000000 ] - [ 0.0026030300000000, 0.0012660200000000, -0.0020590700000000 ] - [ 0.0002597600000000, -0.0003929100000000, -0.0005817300000000 ] - [ -0.0007708600000000, 0.0012777700000000, -0.0001740000000000 ] - [ -0.0009282400000000, 0.0012172100000000, -0.0029122800000000 ] - [ 0.0003712500000000, 0.0001169200000000, 0.0018211700000000 ] - [ 0.0003254700000000, 0.0004502000000000, 0.0021357300000000 ] - [ -0.0017358500000000, -0.0039507000000000, -0.0120995800000000 ] - [ -0.0014883400000000, -0.0038695500000000, -0.0045600800000000 ] - [ -0.0000289200000000, -0.0001817200000000, 0.0027656600000000 ] - [ -0.0003715500000000, -0.0001050400000000, 0.0029161500000000 ] - [ 0.0040031200000000, -0.0018053500000000, -0.0085612600000000 ] - [ -0.0005819700000000, 0.0003638500000000, 0.0030859900000000 ] - [ 0.0025805700000000, 0.0043958600000000, 0.0008485900000000 ] - [ -0.0002461200000000, 0.0001709000000000, 0.0037040400000000 ] - [ -0.0042478600000000, 0.0025239600000000, -0.0006110400000000 ] - [ -0.0001561400000000, -0.0005308900000000, 0.0041008000000000 ] - [ 0.0040734100000000, -0.0033954400000000, -0.0126012500000000 ] - [ 0.0018591300000000, 0.0010852000000000, -0.0133771000000000 ] - [ 0.0002898700000000, -0.0002063300000000, 0.0044753000000000 ] - [ -0.0001995200000000, -0.0009068200000000, 0.0011372300000000 ] - [ -0.0000945700000000, -0.0006716600000000, 0.0020730400000000 ] - [ 0.0002239000000000, -0.0011038000000000, 0.0031377800000000 ] - [ 0.0013645500000000, 0.0003603300000000, 0.0111106100000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007351600000000, -0.0042793300000000, -0.0032823800000000 ] - [ 0.0040415700000000, -0.0060729800000000, 0.0000956100000000 ] - [ 0.0008375500000000, -0.0001273500000000, 0.0003833500000000 ] - [ 0.0008260200000000, 0.0001577400000000, 0.0003953400000000 ] - [ -0.0108495700000000, 0.0007558100000000, 0.0013956900000000 ] - [ 0.0000354300000000, 0.0002210600000000, -0.0001095600000000 ] - [ -0.0015951700000000, 0.0030452000000000, 0.0005794100000000 ] - [ 0.0916970100000000, 0.0820627000000000, -0.0007082000000000 ] - [ 0.0000152800000000, -0.0002348500000000, -0.0001157200000000 ] - [ 0.0007162400000000, -0.0013608400000000, -0.0005612400000000 ] - [ -0.0003534100000000, 0.0005306500000000, 0.0002697300000000 ] - [ 0.0005546700000000, -0.0005325400000000, 0.0003614000000000 ] - [ -0.0008776300000000, -0.0025246600000000, 0.0022698000000000 ] - [ 0.0007401500000000, -0.0005136000000000, 0.0009285500000000 ] - [ -0.0003381800000000, -0.0003665400000000, -0.0003673800000000 ] - [ 0.0005139800000000, 0.0003748900000000, -0.0004068300000000 ] - [ -0.0000435400000000, 0.0001118900000000, 0.0003672000000000 ] - [ 0.0007616600000000, -0.0033587900000000, -0.0026354000000000 ] - [ -0.0059143400000000, 0.0271829300000000, 0.0144744300000000 ] - [ 0.0002634500000000, 0.0004559300000000, -0.0003889100000000 ] - [ 0.0048505500000000, -0.0029278600000000, -0.0000362900000000 ] - [ 0.0000817500000000, 0.0003397100000000, 0.0002658200000000 ] - [ -0.0027539100000000, 0.0304736500000000, -0.0144576300000000 ] - [ 0.0009943100000000, -0.0045199100000000, 0.0016761000000000 ] - [ 0.0000606300000000, -0.0002630400000000, 0.0002757200000000 ] - [ 0.0116967400000000, 0.0019040600000000, -0.0020023900000000 ] - [ 0.0002818200000000, 0.0004154600000000, -0.0001286900000000 ] - [ 0.0002350300000000, -0.0003868300000000, -0.0001169700000000 ] - [ -0.0027176400000000, 0.0027056900000000, -0.0012170700000000 ] - [ 0.0126206000000000, 0.0037240400000000, 0.0015403200000000 ] - [ -0.0000646000000000, 0.0000030100000000, -0.0003009000000000 ] - [ -0.0000991800000000, -0.0000269300000000, -0.0002871500000000 ] - [ -0.0026366200000000, 0.0020370500000000, 0.0008110000000000 ] - [ 0.0032803200000000, 0.0133488000000000, -0.0005431000000000 ] - [ -0.0000862700000000, -0.0003310900000000, -0.0000139900000000 ] - [ -0.0000247900000000, 0.0002841300000000, -0.0000187400000000 ] - [ -0.0003141500000000, -0.0000794100000000, 0.0000725800000000 ] - [ 0.0018277900000000, -0.0005863900000000, -0.0065001900000000 ] - [ 0.0008943500000000, 0.0012555600000000, 0.0020068700000000 ] - [ 0.0000117100000000, -0.0000256800000000, 0.0000839000000000 ] - [ -0.0003358800000000, 0.0007226100000000, -0.0008263600000000 ] - [ -0.0007506000000000, 0.0003833100000000, -0.0003173400000000 ] - [ -0.0000995600000000, -0.0006380100000000, -0.0004637100000000 ] - [ 0.0006289900000000, 0.0014051000000000, -0.0001646000000000 ] - [ -0.0002836000000000, -0.0001267600000000, -0.0008793500000000 ] - [ 0.0016980100000000, 0.0004070300000000, -0.0011858700000000 ] - [ 0.0002455600000000, -0.0003257900000000, -0.0004095600000000 ] - [ -0.0004951000000000, 0.0003117300000000, 0.0000681900000000 ] - [ -0.0006427100000000, -0.0006285100000000, 0.0001050100000000 ] - [ 0.0020950600000000, 0.0013236400000000, 0.0083218200000000 ] - [ 0.0011598000000000, 0.0009650400000000, -0.0020660800000000 ] - [ -0.0003705800000000, 0.0005620500000000, 0.0000941900000000 ] - [ -0.0011641100000000, 0.0016960300000000, 0.0007579900000000 ] - [ -0.0001911800000000, -0.0000927600000000, 0.0000649100000000 ] - [ 0.0003448200000000, -0.0002201000000000, 0.0002865500000000 ] - [ 0.0003562000000000, 0.0010535100000000, -0.0002829700000000 ] - [ -0.0001910800000000, -0.0007532400000000, 0.0011223100000000 ] - [ 0.0016163700000000, 0.0012889900000000, 0.0020633000000000 ] - [ -0.0002460300000000, -0.0003460500000000, -0.0002838800000000 ] - [ -0.0006932100000000, 0.0008569900000000, 0.0002242100000000 ] - [ -0.1556721800000000, -0.1297547900000000, 0.0014995500000000 ] - [ 0.0007941200000000, 0.0009511600000000, 0.0004047700000000 ] - [ 0.0008133100000000, -0.0009183200000000, 0.0003963700000000 ] - [ 0.0024013800000000, -0.0007984400000000, 0.0002733500000000 ] - [ -0.0018549300000000, -0.0002545400000000, 0.0001103800000000 ] - [ 0.0002894800000000, -0.0001062500000000, -0.0003915600000000 ] - [ 0.0003451600000000, 0.0003888000000000, -0.0009009400000000 ] - [ 0.0039384300000000, -0.0018505400000000, 0.0009917800000000 ] - [ 0.0003487500000000, -0.0002463700000000, -0.0001116700000000 ] - [ 0.0031924500000000, 0.0004000100000000, 0.0008108300000000 ] - [ -0.0041793600000000, 0.0007662700000000, 0.0008278200000000 ] - [ -0.0000953900000000, -0.0001217500000000, -0.0002400100000000 ] - [ -0.0018568800000000, -0.0004517800000000, -0.0003454500000000 ] - [ 0.0004601700000000, -0.0001252100000000, 0.0001668700000000 ] - [ 0.0039607500000000, -0.0027485200000000, -0.0021330800000000 ] - [ 0.0005020400000000, 0.0003491400000000, 0.0005970400000000 ] - [ 0.0003522900000000, -0.0007652800000000, -0.0001711800000000 ] - [ 0.0050212600000000, 0.0008162400000000, -0.0014233600000000 ] - [ -0.0052828100000000, 0.0005684800000000, -0.0013364300000000 ] - [ -0.0006025200000000, -0.0000573900000000, 0.0001330700000000 ] - [ -0.0002690200000000, -0.0007728100000000, 0.0001427100000000 ] - [ -0.0009957900000000, -0.0050166700000000, 0.0000211000000000 ] - [ 0.0374887200000000, -0.0116925900000000, 0.0002553900000000 ] - [ -0.0002150600000000, 0.0007249800000000, 0.0001398000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011289100000000, 0.0034770200000000, 0.0028369800000000 ] - [ -0.0056611200000000, 0.0063297600000000, 0.0007568000000000 ] - [ 0.0008144900000000, -0.0001523700000000, 0.0004714000000000 ] - [ 0.0008251800000000, 0.0001215900000000, 0.0004596100000000 ] - [ 0.0092288100000000, -0.0012003600000000, -0.0005197500000000 ] - [ -0.0000159300000000, 0.0002976500000000, -0.0000278000000000 ] - [ 0.0015482400000000, -0.0035083600000000, -0.0007054700000000 ] - [ -0.0921122000000000, -0.0850648900000000, 0.0005769100000000 ] - [ 0.0000042700000000, -0.0002835400000000, -0.0000216800000000 ] - [ -0.0003615400000000, 0.0002974800000000, 0.0009986500000000 ] - [ 0.0000070300000000, 0.0005372300000000, 0.0001718300000000 ] - [ -0.0008852800000000, -0.0005362100000000, 0.0000876600000000 ] - [ 0.0012167500000000, 0.0035654900000000, -0.0018061600000000 ] - [ -0.0003312800000000, 0.0012873000000000, -0.0013409200000000 ] - [ -0.0000658100000000, -0.0004014600000000, -0.0000512600000000 ] - [ -0.0009024600000000, 0.0003924500000000, -0.0000189300000000 ] - [ 0.0005885000000000, -0.0001838700000000, -0.0004355600000000 ] - [ -0.0012475800000000, 0.0040652400000000, 0.0016549700000000 ] - [ 0.0057376100000000, -0.0278525200000000, -0.0153647000000000 ] - [ 0.0002282800000000, 0.0003163900000000, -0.0005495400000000 ] - [ -0.0046968600000000, 0.0024287600000000, -0.0000439400000000 ] - [ 0.0000494200000000, 0.0002395200000000, 0.0002284600000000 ] - [ 0.0029412500000000, -0.0310090500000000, 0.0149570000000000 ] - [ -0.0011177300000000, 0.0050165100000000, -0.0011534400000000 ] - [ 0.0000701000000000, -0.0003160200000000, 0.0002187500000000 ] - [ -0.0121770800000000, -0.0026957600000000, 0.0015657500000000 ] - [ 0.0002078700000000, 0.0004495300000000, -0.0001889800000000 ] - [ 0.0002542200000000, -0.0004768200000000, -0.0002000600000000 ] - [ 0.0022060500000000, -0.0018309200000000, 0.0008897300000000 ] - [ -0.0124122000000000, -0.0036611900000000, -0.0020977800000000 ] - [ -0.0001136100000000, 0.0000414300000000, -0.0003526100000000 ] - [ -0.0000793000000000, -0.0000173600000000, -0.0003666400000000 ] - [ 0.0027912500000000, -0.0019863600000000, -0.0014545200000000 ] - [ -0.0031847700000000, -0.0125790200000000, 0.0004620800000000 ] - [ -0.0000237700000000, -0.0002936200000000, -0.0000591600000000 ] - [ -0.0000847500000000, 0.0003410100000000, -0.0000543800000000 ] - [ 0.0001934700000000, 0.0002117500000000, 0.0002038100000000 ] - [ -0.0017333600000000, 0.0004477400000000, 0.0067021500000000 ] - [ -0.0007701900000000, -0.0011028500000000, -0.0017092300000000 ] - [ -0.0001265900000000, -0.0001099800000000, 0.0001941100000000 ] - [ 0.0009989500000000, -0.0019241100000000, 0.0002531700000000 ] - [ 0.0000658700000000, 0.0008287400000000, -0.0002523100000000 ] - [ -0.0005768700000000, -0.0005740300000000, -0.0001053000000000 ] - [ 0.0000735700000000, -0.0002014500000000, -0.0003967500000000 ] - [ -0.0002612500000000, 0.0000605900000000, 0.0007923800000000 ] - [ -0.0011385000000000, -0.0003356400000000, 0.0011044800000000 ] - [ 0.0002454800000000, -0.0004458500000000, -0.0005289800000000 ] - [ -0.0000570400000000, -0.0002401300000000, -0.0001339000000000 ] - [ -0.0001960700000000, -0.0003722700000000, -0.0001972700000000 ] - [ -0.0012893600000000, -0.0003197700000000, -0.0083213800000000 ] - [ -0.0003200200000000, -0.0019506000000000, 0.0019570700000000 ] - [ -0.0004628900000000, 0.0004360000000000, -0.0001887100000000 ] - [ 0.0008093000000000, -0.0020207400000000, -0.0006967100000000 ] - [ 0.0005264200000000, 0.0004318300000000, -0.0000091700000000 ] - [ -0.0000025100000000, -0.0001197500000000, -0.0002317900000000 ] - [ -0.0006716600000000, -0.0007208800000000, 0.0003282600000000 ] - [ -0.0001173300000000, -0.0004247300000000, -0.0005578000000000 ] - [ -0.0012888600000000, -0.0001005400000000, -0.0014987800000000 ] - [ 0.0005578500000000, -0.0008368600000000, 0.0008303700000000 ] - [ 0.0003731100000000, 0.0003262900000000, 0.0003206200000000 ] - [ 0.1509887400000000, 0.1316192800000000, -0.0008447600000000 ] - [ 0.0008406600000000, 0.0009455600000000, 0.0003470700000000 ] - [ 0.0008220000000000, -0.0009781300000000, 0.0003555900000000 ] - [ -0.0040023000000000, 0.0026718400000000, 0.0004767400000000 ] - [ 0.0012508800000000, 0.0005582800000000, -0.0012498200000000 ] - [ 0.0003108500000000, -0.0002109900000000, -0.0007664400000000 ] - [ 0.0002562200000000, -0.0000700700000000, -0.0002619300000000 ] - [ -0.0045478800000000, 0.0015333300000000, -0.0021259700000000 ] - [ 0.0000215400000000, 0.0001994500000000, -0.0001979400000000 ] - [ -0.0035196300000000, -0.0003607900000000, -0.0011135100000000 ] - [ 0.0037625000000000, -0.0007884800000000, -0.0011510200000000 ] - [ 0.0004584300000000, 0.0001663400000000, -0.0000711700000000 ] - [ 0.0009325700000000, 0.0007766300000000, 0.0010950800000000 ] - [ 0.0004615100000000, -0.0002137200000000, 0.0006004100000000 ] - [ -0.0048841800000000, 0.0024140200000000, 0.0028851100000000 ] - [ 0.0004211900000000, -0.0000089800000000, 0.0001749800000000 ] - [ -0.0003116800000000, 0.0002095500000000, 0.0003056200000000 ] - [ -0.0049949400000000, -0.0002710400000000, 0.0015464700000000 ] - [ 0.0051743900000000, -0.0010784100000000, 0.0014927000000000 ] - [ 0.0006307300000000, 0.0006078800000000, 0.0000062000000000 ] - [ -0.0001928300000000, -0.0006703500000000, 0.0002666800000000 ] - [ 0.0014391300000000, 0.0063708200000000, 0.0003878000000000 ] - [ -0.0342772200000000, 0.0097626300000000, 0.0001910800000000 ] - [ -0.0002471600000000, 0.0007179200000000, 0.0002693900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008762600000000, 0.0009985600000000, -0.0008479500000000 ] - [ 0.0036383900000000, -0.0088230000000000, 0.0004869400000000 ] - [ 0.0008482100000000, -0.0001479100000000, 0.0003131300000000 ] - [ 0.0008827200000000, 0.0002372500000000, 0.0003015100000000 ] - [ 0.0071598200000000, 0.0027141000000000, 0.0006979800000000 ] - [ 0.0000722100000000, 0.0001078700000000, -0.0001718800000000 ] - [ -0.0003935300000000, -0.0021100900000000, -0.0002255500000000 ] - [ 0.0860749600000000, 0.2232854400000000, -0.0005856600000000 ] - [ 0.0000396800000000, -0.0001643200000000, -0.0001781800000000 ] - [ 0.0001524500000000, -0.0047503000000000, -0.0009957100000000 ] - [ -0.0003183000000000, -0.0000248200000000, 0.0004602600000000 ] - [ -0.0007044800000000, 0.0003389200000000, -0.0000661200000000 ] - [ -0.0009782300000000, 0.0028867500000000, 0.0007829400000000 ] - [ 0.0002035500000000, -0.0033212500000000, 0.0014166800000000 ] - [ -0.0002528400000000, -0.0008429100000000, -0.0007092700000000 ] - [ -0.0003784300000000, 0.0010810100000000, -0.0002163400000000 ] - [ 0.0004452500000000, 0.0012727700000000, 0.0006071900000000 ] - [ -0.0003296500000000, -0.0000858100000000, -0.0008916700000000 ] - [ 0.0241284300000000, 0.0378397500000000, 0.0286985700000000 ] - [ 0.0002228800000000, 0.0004019100000000, -0.0003259900000000 ] - [ -0.0088239100000000, 0.0105944400000000, -0.0005320700000000 ] - [ 0.0000644700000000, 0.0003129700000000, 0.0002948100000000 ] - [ 0.0265805800000000, 0.0378899700000000, -0.0251427800000000 ] - [ -0.0002938300000000, -0.0003026200000000, 0.0007776500000000 ] - [ 0.0000508700000000, -0.0002398000000000, 0.0002833500000000 ] - [ -0.0028221800000000, -0.0032847600000000, -0.0018453800000000 ] - [ 0.0002181900000000, 0.0002511300000000, 0.0000241900000000 ] - [ 0.0002466500000000, -0.0002814500000000, -0.0000379100000000 ] - [ -0.0023805800000000, 0.0052722800000000, -0.0015128200000000 ] - [ -0.0030491600000000, -0.0023596000000000, 0.0004607200000000 ] - [ -0.0001219400000000, -0.0000771200000000, -0.0002407900000000 ] - [ -0.0001003300000000, 0.0000359500000000, -0.0002251000000000 ] - [ -0.0021237900000000, 0.0045810200000000, 0.0005203700000000 ] - [ 0.0076882100000000, 0.0129016300000000, -0.0005406700000000 ] - [ -0.0000785100000000, -0.0003415100000000, 0.0000135900000000 ] - [ -0.0000819300000000, 0.0002516400000000, 0.0000131700000000 ] - [ -0.0000823700000000, -0.0002282100000000, 0.0003346600000000 ] - [ 0.0001450000000000, -0.0030921500000000, -0.0001259200000000 ] - [ 0.0009979800000000, 0.0044039400000000, 0.0036555100000000 ] - [ -0.0001826800000000, 0.0003748000000000, 0.0001343500000000 ] - [ 0.0024548800000000, -0.0014925400000000, -0.0018468200000000 ] - [ -0.0000854100000000, -0.0001868100000000, -0.0007826600000000 ] - [ -0.0000746800000000, -0.0002090000000000, -0.0009233000000000 ] - [ -0.0012722000000000, 0.0045871700000000, -0.0018928600000000 ] - [ -0.0007813200000000, -0.0021797100000000, 0.0007970700000000 ] - [ 0.0011456900000000, -0.0014333300000000, 0.0001235900000000 ] - [ 0.0002408600000000, -0.0002968300000000, -0.0003245800000000 ] - [ -0.0006914300000000, 0.0010611400000000, -0.0001577000000000 ] - [ -0.0005101200000000, -0.0008978800000000, 0.0000399400000000 ] - [ 0.0009348100000000, -0.0023382500000000, 0.0005838300000000 ] - [ 0.0010636500000000, 0.0034505200000000, -0.0033403700000000 ] - [ -0.0005188300000000, 0.0009541100000000, 0.0002494000000000 ] - [ 0.0017635800000000, -0.0002995900000000, 0.0016797500000000 ] - [ 0.0004646600000000, -0.0005814300000000, 0.0006307000000000 ] - [ 0.0003440400000000, 0.0001963100000000, 0.0007905700000000 ] - [ -0.0017312200000000, 0.0035186200000000, 0.0015854800000000 ] - [ -0.0008187600000000, -0.0031351700000000, 0.0002404200000000 ] - [ 0.0008131000000000, -0.0002640300000000, 0.0005874500000000 ] - [ 0.0000716600000000, 0.0004863900000000, -0.0002737300000000 ] - [ -0.0011791700000000, 0.0018157100000000, 0.0006032700000000 ] - [ -0.1266104900000000, -0.3295177100000000, -0.0016300200000000 ] - [ 0.0008204900000000, 0.0008608100000000, 0.0004453300000000 ] - [ 0.0007877600000000, -0.0008311000000000, 0.0004407400000000 ] - [ 0.0009074200000000, 0.0041555700000000, 0.0004824600000000 ] - [ -0.0008794000000000, -0.0020047900000000, 0.0012651900000000 ] - [ 0.0003340500000000, -0.0001959100000000, -0.0003578900000000 ] - [ 0.0002898900000000, 0.0004081900000000, -0.0005577100000000 ] - [ -0.0004906200000000, 0.0081625300000000, -0.0063146500000000 ] - [ 0.0001295700000000, -0.0005457300000000, 0.0003416000000000 ] - [ 0.0031081500000000, -0.0021780300000000, 0.0035896200000000 ] - [ -0.0036368000000000, 0.0025138000000000, 0.0033975700000000 ] - [ 0.0002672100000000, 0.0002323500000000, 0.0003815200000000 ] - [ -0.0010835000000000, -0.0019862100000000, -0.0012245300000000 ] - [ 0.0005055700000000, -0.0002026500000000, 0.0000174800000000 ] - [ -0.0012760400000000, 0.0091874800000000, 0.0078587700000000 ] - [ 0.0004463500000000, 0.0003693900000000, 0.0001585200000000 ] - [ 0.0000006300000000, -0.0011109000000000, -0.0008663500000000 ] - [ 0.0052449500000000, -0.0032050400000000, -0.0055702300000000 ] - [ -0.0049350600000000, 0.0039360500000000, -0.0046141800000000 ] - [ 0.0000962700000000, 0.0004287300000000, -0.0010160300000000 ] - [ -0.0002702200000000, -0.0008530100000000, 0.0000323600000000 ] - [ -0.0011100300000000, -0.0184628500000000, -0.0000598300000000 ] - [ -0.0095121700000000, 0.0096976700000000, 0.0005327000000000 ] - [ -0.0002553600000000, 0.0008295000000000, 0.0000382600000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012788300000000, -0.0017350500000000, 0.0004558100000000 ] - [ -0.0052808800000000, 0.0091080000000000, 0.0003701500000000 ] - [ 0.0008038300000000, -0.0001322500000000, 0.0005427100000000 ] - [ 0.0007690600000000, 0.0000416700000000, 0.0005542400000000 ] - [ -0.0088024800000000, -0.0029013200000000, 0.0001518100000000 ] - [ -0.0000529300000000, 0.0004111100000000, 0.0000359600000000 ] - [ 0.0003918100000000, 0.0015698900000000, 0.0000867300000000 ] - [ -0.0948938000000000, -0.2368471400000000, 0.0004892000000000 ] - [ -0.0000199700000000, -0.0003545900000000, 0.0000422300000000 ] - [ 0.0001879600000000, 0.0036939700000000, 0.0014468500000000 ] - [ -0.0000226300000000, 0.0010917300000000, -0.0000183200000000 ] - [ 0.0003587300000000, -0.0014063200000000, 0.0005106700000000 ] - [ 0.0013243900000000, -0.0017920400000000, -0.0003603600000000 ] - [ 0.0001944900000000, 0.0041028400000000, -0.0018474400000000 ] - [ -0.0001461200000000, 0.0000721400000000, 0.0002926900000000 ] - [ -0.0000223600000000, -0.0003117900000000, -0.0002057000000000 ] - [ 0.0001070900000000, -0.0013459900000000, -0.0006836500000000 ] - [ -0.0001723400000000, 0.0008831600000000, -0.0000410000000000 ] - [ -0.0250597300000000, -0.0390518800000000, -0.0301320000000000 ] - [ 0.0002686800000000, 0.0003691900000000, -0.0006142200000000 ] - [ 0.0088057100000000, -0.0111501100000000, 0.0004518600000000 ] - [ 0.0000664700000000, 0.0002650200000000, 0.0001988000000000 ] - [ -0.0271658100000000, -0.0388745700000000, 0.0260681300000000 ] - [ 0.0001499100000000, 0.0009127400000000, -0.0002882400000000 ] - [ 0.0000799200000000, -0.0003399500000000, 0.0002101700000000 ] - [ 0.0023269400000000, 0.0023836400000000, 0.0015587100000000 ] - [ 0.0002710800000000, 0.0006137400000000, -0.0003420100000000 ] - [ 0.0002433100000000, -0.0005831900000000, -0.0002798800000000 ] - [ 0.0018975100000000, -0.0044143100000000, 0.0011910500000000 ] - [ 0.0032100600000000, 0.0022646800000000, -0.0011357100000000 ] - [ -0.0000566300000000, 0.0001214900000000, -0.0004129000000000 ] - [ -0.0000776100000000, -0.0000801900000000, -0.0004292500000000 ] - [ 0.0023091900000000, -0.0045477700000000, -0.0011727400000000 ] - [ -0.0074402600000000, -0.0121988600000000, 0.0004578000000000 ] - [ -0.0000307100000000, -0.0002831000000000, -0.0000870900000000 ] - [ -0.0000281400000000, 0.0003736000000000, -0.0000864600000000 ] - [ -0.0000334300000000, 0.0003626800000000, -0.0000564300000000 ] - [ -0.0000488200000000, 0.0029647500000000, 0.0004569400000000 ] - [ -0.0008868800000000, -0.0042805400000000, -0.0033964100000000 ] - [ 0.0000656700000000, -0.0005104900000000, 0.0001451600000000 ] - [ -0.0017724200000000, 0.0002678600000000, 0.0012814500000000 ] - [ -0.0005904400000000, 0.0014012900000000, 0.0002122700000000 ] - [ -0.0006059000000000, -0.0010025900000000, 0.0003555700000000 ] - [ 0.0019503600000000, -0.0033846000000000, 0.0013253700000000 ] - [ 0.0002299600000000, 0.0021054200000000, -0.0008661900000000 ] - [ -0.0006077500000000, 0.0015051300000000, -0.0001841900000000 ] - [ 0.0002504500000000, -0.0004763600000000, -0.0006154700000000 ] - [ 0.0001429600000000, -0.0009933400000000, 0.0000868200000000 ] - [ -0.0003247600000000, -0.0001021200000000, -0.0001345500000000 ] - [ -0.0001196600000000, 0.0033283400000000, -0.0007419200000000 ] - [ -0.0002314600000000, -0.0044628300000000, 0.0032657000000000 ] - [ -0.0003163600000000, 0.0000444000000000, -0.0003462700000000 ] - [ -0.0020991800000000, -0.0000551400000000, -0.0016291200000000 ] - [ -0.0001218300000000, 0.0009245800000000, -0.0005739700000000 ] - [ -0.0000036500000000, -0.0005339700000000, -0.0007354500000000 ] - [ 0.0013864100000000, -0.0031884300000000, -0.0015288500000000 ] - [ 0.0005013900000000, 0.0019519400000000, 0.0003118900000000 ] - [ -0.0005081100000000, 0.0014429400000000, -0.0000530300000000 ] - [ 0.0002483800000000, -0.0016725700000000, 0.0008310200000000 ] - [ 0.0008668500000000, -0.0006355600000000, -0.0000540300000000 ] - [ 0.1349620500000000, 0.3419053500000000, 0.0023742400000000 ] - [ 0.0008149800000000, 0.0010357300000000, 0.0003061000000000 ] - [ 0.0008477500000000, -0.0010663500000000, 0.0003108800000000 ] - [ -0.0025628000000000, -0.0022439600000000, 0.0002701400000000 ] - [ 0.0002799500000000, 0.0023372700000000, -0.0024191800000000 ] - [ 0.0002667500000000, -0.0001227300000000, -0.0008033000000000 ] - [ 0.0003108200000000, -0.0000934300000000, -0.0005988600000000 ] - [ -0.0001628700000000, -0.0083244400000000, 0.0047589500000000 ] - [ 0.0002361300000000, 0.0005012900000000, -0.0006496800000000 ] - [ -0.0034932100000000, 0.0022138900000000, -0.0039061400000000 ] - [ 0.0032906900000000, -0.0025851500000000, -0.0037126700000000 ] - [ 0.0001031200000000, -0.0001832400000000, -0.0006908600000000 ] - [ 0.0001618700000000, 0.0023413700000000, 0.0019885300000000 ] - [ 0.0004168100000000, -0.0001382500000000, 0.0007539900000000 ] - [ 0.0002738800000000, -0.0093712400000000, -0.0066669000000000 ] - [ 0.0004762400000000, -0.0000320200000000, 0.0006090600000000 ] - [ 0.0000323300000000, 0.0005617900000000, 0.0010038200000000 ] - [ -0.0053100000000000, 0.0037431800000000, 0.0057213300000000 ] - [ 0.0049322500000000, -0.0045356500000000, 0.0047572900000000 ] - [ -0.0000543300000000, 0.0001288500000000, 0.0011533500000000 ] - [ -0.0001906600000000, -0.0005901000000000, 0.0003783900000000 ] - [ 0.0015686600000000, 0.0199660700000000, 0.0004713000000000 ] - [ 0.0098612400000000, -0.0109908700000000, -0.0001165300000000 ] - [ -0.0002060100000000, 0.0006136700000000, 0.0003719300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004097500000000, -0.0021716800000000, -0.0026457400000000 ] - [ -0.0010336100000000, 0.0002972600000000, 0.0043486300000000 ] - [ 0.0008037800000000, -0.0002015900000000, -0.0011939900000000 ] - [ 0.0008144700000000, 0.0002452800000000, -0.0013533200000000 ] - [ -0.0011374800000000, -0.0000021000000000, 0.0067356100000000 ] - [ 0.0000015100000000, 0.0001542000000000, -0.0018858800000000 ] - [ 0.0000281200000000, -0.0002894700000000, 0.0039934400000000 ] - [ -0.0002944500000000, 0.0002305300000000, 0.0540176400000000 ] - [ -0.0000036600000000, -0.0001458000000000, -0.0019271800000000 ] - [ 0.0013828000000000, 0.0011147000000000, -0.0001344800000000 ] - [ -0.0002957400000000, 0.0007775200000000, -0.0004109900000000 ] - [ -0.0014617700000000, -0.0004104700000000, -0.0017320800000000 ] - [ 0.0009144200000000, 0.0017880400000000, -0.0015107100000000 ] - [ -0.0007120500000000, -0.0014032200000000, -0.0005650700000000 ] - [ -0.0000250700000000, -0.0008700500000000, -0.0012757500000000 ] - [ 0.0011886200000000, 0.0005355600000000, -0.0025596700000000 ] - [ -0.0000652100000000, -0.0003381900000000, 0.0010193700000000 ] - [ -0.0005911100000000, 0.0011381600000000, -0.0035993600000000 ] - [ 0.0161585400000000, 0.0359213300000000, 0.0018545900000000 ] - [ 0.0001196200000000, 0.0002282200000000, 0.0013743300000000 ] - [ 0.0003302900000000, -0.0009555200000000, -0.0038362500000000 ] - [ 0.0002204200000000, 0.0004153400000000, 0.0019300100000000 ] - [ -0.0178336000000000, -0.0356457700000000, -0.0001909000000000 ] - [ 0.0004158800000000, -0.0004522300000000, -0.0026500800000000 ] - [ 0.0001647500000000, -0.0005075800000000, 0.0019142200000000 ] - [ 0.0037791200000000, -0.0013815200000000, -0.0040325400000000 ] - [ 0.0002415900000000, -0.0001273800000000, 0.0015734800000000 ] - [ 0.0002614300000000, 0.0000351000000000, 0.0013493700000000 ] - [ -0.0005981700000000, 0.0006610100000000, -0.0032537600000000 ] - [ -0.0034949400000000, 0.0005555100000000, -0.0043452600000000 ] - [ -0.0000472100000000, 0.0002395400000000, 0.0013052000000000 ] - [ -0.0000656700000000, -0.0001769900000000, 0.0011313000000000 ] - [ 0.0007207000000000, 0.0002905200000000, -0.0034614400000000 ] - [ -0.0001397400000000, 0.0000476600000000, -0.0034973100000000 ] - [ -0.0000668200000000, -0.0002923600000000, 0.0010130700000000 ] - [ -0.0000668000000000, 0.0002702800000000, 0.0010120600000000 ] - [ 0.0002124400000000, 0.0004176900000000, 0.0018632000000000 ] - [ -0.0042941900000000, 0.0005162500000000, 0.0030889100000000 ] - [ 0.0004177400000000, 0.0014359900000000, 0.0003460700000000 ] - [ -0.0001983600000000, -0.0000243300000000, 0.0013745000000000 ] - [ -0.0015156800000000, -0.0015260300000000, 0.0008313800000000 ] - [ -0.0000453000000000, 0.0001508100000000, 0.0008307800000000 ] - [ -0.0003339000000000, -0.0008980000000000, 0.0005162800000000 ] - [ 0.0027931900000000, -0.0014210700000000, 0.0013384600000000 ] - [ -0.0004575100000000, -0.0006405300000000, 0.0027133900000000 ] - [ -0.0006004400000000, -0.0002199700000000, 0.0021235500000000 ] - [ 0.0002358700000000, -0.0000834100000000, 0.0013523400000000 ] - [ 0.0000854600000000, -0.0000509600000000, 0.0003643100000000 ] - [ -0.0006863800000000, -0.0009829100000000, 0.0021043100000000 ] - [ 0.0053802800000000, 0.0010369600000000, 0.0036414500000000 ] - [ 0.0002837800000000, -0.0014844200000000, -0.0004381000000000 ] - [ -0.0003172100000000, 0.0007506300000000, 0.0015848500000000 ] - [ 0.0014779500000000, 0.0012382100000000, 0.0016539500000000 ] - [ -0.0001106200000000, 0.0004054900000000, 0.0013191000000000 ] - [ 0.0001942800000000, 0.0003552500000000, 0.0011122200000000 ] - [ -0.0026472400000000, 0.0019138500000000, 0.0020518900000000 ] - [ -0.0000754800000000, 0.0002242500000000, 0.0029288700000000 ] - [ 0.0011927900000000, 0.0008533300000000, 0.0027136400000000 ] - [ 0.0005365100000000, -0.0002606400000000, 0.0012349900000000 ] - [ -0.0007718500000000, 0.0008827300000000, 0.0008276700000000 ] - [ 0.0002685900000000, -0.0041427000000000, -0.1098303900000000 ] - [ 0.0007887800000000, 0.0008782800000000, 0.0015046700000000 ] - [ 0.0007969900000000, -0.0008828400000000, 0.0014300100000000 ] - [ -0.0009161000000000, 0.0008489000000000, -0.0015449400000000 ] - [ -0.0004808700000000, 0.0007643100000000, 0.0014416400000000 ] - [ 0.0003279400000000, -0.0000328800000000, -0.0022162500000000 ] - [ 0.0002111500000000, 0.0003916400000000, -0.0023986200000000 ] - [ -0.0003043000000000, -0.0086932900000000, 0.0165734100000000 ] - [ 0.0002930600000000, 0.0003348400000000, -0.0021668500000000 ] - [ -0.0016431800000000, 0.0022396100000000, -0.0013072800000000 ] - [ 0.0013028700000000, 0.0004403600000000, -0.0010071600000000 ] - [ 0.0000329300000000, 0.0001992100000000, -0.0024238500000000 ] - [ -0.0003621100000000, -0.0004957600000000, 0.0024929900000000 ] - [ 0.0004445800000000, -0.0003100200000000, -0.0015313100000000 ] - [ -0.0017100800000000, 0.0101803600000000, 0.0201068800000000 ] - [ 0.0005446000000000, 0.0000131500000000, -0.0016747100000000 ] - [ -0.0001250700000000, -0.0010450400000000, -0.0027846400000000 ] - [ 0.0023748200000000, -0.0030183200000000, -0.0018538800000000 ] - [ -0.0022083800000000, -0.0007885700000000, -0.0010023300000000 ] - [ 0.0001668400000000, -0.0000172900000000, -0.0032803800000000 ] - [ -0.0002734100000000, -0.0007940100000000, -0.0023346200000000 ] - [ 0.0002367200000000, 0.0015815000000000, 0.0085296800000000 ] - [ 0.0005666700000000, -0.0006127100000000, 0.0120215800000000 ] - [ -0.0002924100000000, 0.0007982500000000, -0.0027321800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008064100000000, 0.0014088100000000, 0.0022233400000000 ] - [ -0.0006129400000000, -0.0000366800000000, -0.0034919500000000 ] - [ 0.0008480400000000, -0.0000777600000000, 0.0020490000000000 ] - [ 0.0008379300000000, 0.0000354200000000, 0.0022082200000000 ] - [ -0.0005061900000000, -0.0002390500000000, -0.0058839700000000 ] - [ 0.0000184700000000, 0.0003631800000000, 0.0017491400000000 ] - [ -0.0000447000000000, -0.0002428100000000, -0.0041334500000000 ] - [ 0.0009423700000000, 0.0016736200000000, -0.0541770400000000 ] - [ 0.0000232500000000, -0.0003721500000000, 0.0017902600000000 ] - [ -0.0010400000000000, -0.0022171100000000, 0.0005673900000000 ] - [ -0.0000451400000000, 0.0002840300000000, 0.0008589900000000 ] - [ 0.0011142500000000, -0.0006475700000000, 0.0021722100000000 ] - [ -0.0005788800000000, -0.0007104300000000, 0.0019572900000000 ] - [ 0.0011133100000000, 0.0021396800000000, 0.0001588200000000 ] - [ -0.0003723700000000, 0.0000954200000000, 0.0008504700000000 ] - [ -0.0015909200000000, 0.0002414700000000, 0.0021426300000000 ] - [ 0.0006171200000000, 0.0002781400000000, -0.0010856700000000 ] - [ 0.0000971600000000, -0.0003610500000000, 0.0026670500000000 ] - [ -0.0167354200000000, -0.0368895300000000, -0.0026470000000000 ] - [ 0.0003714800000000, 0.0005444800000000, -0.0023122600000000 ] - [ -0.0002427700000000, 0.0003222200000000, 0.0037660300000000 ] - [ -0.0000896000000000, 0.0001642000000000, -0.0014351100000000 ] - [ 0.0176248400000000, 0.0349306700000000, 0.0005344400000000 ] - [ -0.0005501900000000, 0.0010383600000000, 0.0031423900000000 ] - [ -0.0000340400000000, -0.0000709600000000, -0.0014195300000000 ] - [ -0.0042881300000000, 0.0004920400000000, 0.0037322900000000 ] - [ 0.0002475200000000, 0.0009905400000000, -0.0018891500000000 ] - [ 0.0002285600000000, -0.0008983200000000, -0.0016660600000000 ] - [ 0.0001062600000000, 0.0002271600000000, 0.0029384700000000 ] - [ 0.0036505800000000, -0.0006323200000000, 0.0036759700000000 ] - [ -0.0001317500000000, -0.0001961700000000, -0.0019576800000000 ] - [ -0.0001124500000000, 0.0001330100000000, -0.0017837100000000 ] - [ -0.0005439600000000, -0.0002237700000000, 0.0028021600000000 ] - [ 0.0002935300000000, 0.0006050100000000, 0.0034231200000000 ] - [ -0.0000428900000000, -0.0003328900000000, -0.0010856100000000 ] - [ -0.0000436700000000, 0.0003538700000000, -0.0010845200000000 ] - [ -0.0003290100000000, -0.0002857200000000, -0.0015822100000000 ] - [ 0.0044633100000000, -0.0006707300000000, -0.0028403700000000 ] - [ -0.0002964900000000, -0.0012712900000000, -0.0000445500000000 ] - [ 0.0000794000000000, -0.0001052400000000, -0.0010965300000000 ] - [ 0.0022181900000000, 0.0003096800000000, -0.0014104200000000 ] - [ -0.0006305300000000, 0.0010526900000000, -0.0014050200000000 ] - [ -0.0003434700000000, -0.0003098000000000, -0.0010930800000000 ] - [ -0.0021442500000000, 0.0026657500000000, -0.0019243100000000 ] - [ -0.0000988900000000, 0.0005511800000000, -0.0027769400000000 ] - [ 0.0011611000000000, 0.0002822000000000, -0.0021979200000000 ] - [ 0.0002555900000000, -0.0006878400000000, -0.0022903100000000 ] - [ -0.0006390100000000, 0.0001297700000000, -0.0004414800000000 ] - [ -0.0001490500000000, -0.0000198400000000, -0.0021990100000000 ] - [ -0.0044818200000000, -0.0000476200000000, -0.0037020700000000 ] - [ 0.0005551600000000, 0.0005145700000000, 0.0003206100000000 ] - [ -0.0005198100000000, 0.0002536300000000, -0.0016764100000000 ] - [ -0.0017972300000000, -0.0015766300000000, -0.0015843300000000 ] - [ 0.0004552200000000, -0.0000742300000000, -0.0012562100000000 ] - [ 0.0001478200000000, -0.0006902800000000, -0.0010455800000000 ] - [ 0.0022769000000000, -0.0015473800000000, -0.0019768400000000 ] - [ -0.0002498000000000, -0.0014296000000000, -0.0023781900000000 ] - [ -0.0008690100000000, 0.0003239100000000, -0.0021547600000000 ] - [ -0.0002205500000000, -0.0009131500000000, -0.0006876700000000 ] - [ 0.0004475900000000, 0.0003085600000000, -0.0002693900000000 ] - [ -0.0020751900000000, -0.0001403400000000, 0.1105457900000000 ] - [ 0.0008464600000000, 0.0010175400000000, -0.0007520200000000 ] - [ 0.0008377200000000, -0.0010126700000000, -0.0006771900000000 ] - [ -0.0007126900000000, 0.0010612700000000, 0.0022978500000000 ] - [ -0.0001243100000000, -0.0004537500000000, -0.0026070800000000 ] - [ 0.0002733500000000, -0.0002850100000000, 0.0010593600000000 ] - [ 0.0003892500000000, -0.0000713800000000, 0.0012415600000000 ] - [ -0.0003809000000000, 0.0090041800000000, -0.0184213500000000 ] - [ 0.0000723200000000, -0.0003864700000000, 0.0018624700000000 ] - [ 0.0012969300000000, -0.0022045100000000, 0.0010285500000000 ] - [ -0.0016928300000000, -0.0004743000000000, 0.0007345800000000 ] - [ 0.0003360500000000, -0.0001506300000000, 0.0021196600000000 ] - [ -0.0005655800000000, 0.0008278600000000, -0.0017152100000000 ] - [ 0.0004784900000000, -0.0000297600000000, 0.0022981700000000 ] - [ 0.0006461800000000, -0.0098447800000000, -0.0186075500000000 ] - [ 0.0003775600000000, 0.0003289100000000, 0.0024424200000000 ] - [ 0.0001588200000000, 0.0004832300000000, 0.0029137900000000 ] - [ -0.0023790300000000, 0.0035517800000000, 0.0019476500000000 ] - [ 0.0021423700000000, 0.0002530800000000, 0.0010890700000000 ] - [ -0.0001288800000000, 0.0005726100000000, 0.0034076100000000 ] - [ -0.0001881300000000, -0.0006505100000000, 0.0027436300000000 ] - [ 0.0002196800000000, -0.0002363800000000, -0.0081244700000000 ] - [ -0.0002849400000000, -0.0007413300000000, -0.0116124800000000 ] - [ -0.0001691300000000, 0.0006460500000000, 0.0031412400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001083500000000, -0.0002412600000000, -0.0004024800000000 ] - [ 0.0082540900000000, -0.0019268500000000, -0.0147744600000000 ] - [ 0.0009370600000000, -0.0001912000000000, 0.0005289400000000 ] - [ 0.0007147000000000, 0.0001104300000000, 0.0002250100000000 ] - [ -0.0028646700000000, -0.0080815800000000, 0.0065173500000000 ] - [ -0.0000650200000000, 0.0003047300000000, -0.0002590700000000 ] - [ -0.0024455400000000, 0.0005193500000000, -0.0019215900000000 ] - [ 0.0004124600000000, 0.0003410200000000, 0.0003978200000000 ] - [ 0.0000436700000000, -0.0002751100000000, -0.0000761000000000 ] - [ 0.0173702400000000, 0.0099225900000000, -0.0098534200000000 ] - [ -0.0003363600000000, 0.0004694900000000, 0.0000987500000000 ] - [ -0.0000509500000000, -0.0006073000000000, 0.0002838600000000 ] - [ -0.0045207300000000, 0.0125685200000000, 0.0031898000000000 ] - [ 0.0005530500000000, 0.0003987900000000, -0.0001023100000000 ] - [ -0.0055886000000000, 0.0001253400000000, 0.0020609600000000 ] - [ 0.0011298900000000, 0.0004563400000000, -0.0009247400000000 ] - [ -0.0076027400000000, -0.0023753900000000, 0.0032401500000000 ] - [ 0.0021836100000000, 0.0012528100000000, 0.0003318300000000 ] - [ -0.0017435900000000, -0.0009500900000000, -0.0013017500000000 ] - [ 0.0002492500000000, 0.0003899200000000, -0.0004516700000000 ] - [ -0.0033565900000000, 0.0026103900000000, -0.0060285200000000 ] - [ 0.0006416400000000, 0.0001596000000000, 0.0002362900000000 ] - [ -0.0002617300000000, -0.0005559300000000, -0.0002271900000000 ] - [ 0.0005313600000000, -0.0007849100000000, 0.0004471700000000 ] - [ -0.0005260500000000, -0.0003924700000000, 0.0004934900000000 ] - [ 0.0034720100000000, 0.0040375400000000, -0.0013566800000000 ] - [ 0.0002392400000000, 0.0004215800000000, -0.0000655900000000 ] - [ 0.0002475400000000, -0.0004113200000000, -0.0001711500000000 ] - [ -0.0090112900000000, 0.0041285400000000, 0.0035924500000000 ] - [ 0.0026358900000000, 0.0014566600000000, -0.0027431900000000 ] - [ -0.0000926100000000, 0.0003062400000000, -0.0000336000000000 ] - [ -0.0001149000000000, 0.0001712600000000, -0.0005614500000000 ] - [ -0.0026995800000000, 0.0018003100000000, 0.0041510700000000 ] - [ 0.0040063100000000, -0.0011202300000000, 0.0019839700000000 ] - [ -0.0001805100000000, -0.0002582400000000, -0.0000367200000000 ] - [ 0.0000668000000000, 0.0003628900000000, 0.0000172300000000 ] - [ -0.0001149400000000, 0.0000586100000000, 0.0001473900000000 ] - [ 0.0007006900000000, -0.0044498100000000, 0.0012297200000000 ] - [ -0.0056234300000000, -0.0084083600000000, 0.0010620200000000 ] - [ 0.0000035900000000, -0.0000903400000000, 0.0002220700000000 ] - [ 0.0114474100000000, 0.0038351300000000, 0.0054994600000000 ] - [ -0.0004215300000000, 0.0006914500000000, -0.0001986700000000 ] - [ -0.0002526700000000, -0.0005242900000000, -0.0003067800000000 ] - [ 0.0168165800000000, -0.0041820300000000, -0.0093253600000000 ] - [ -0.0003328300000000, -0.0000030200000000, -0.0001551600000000 ] - [ 0.0052883900000000, -0.0023823700000000, -0.0013278600000000 ] - [ 0.0002410900000000, -0.0003631900000000, -0.0003217400000000 ] - [ -0.0001640000000000, 0.0000987800000000, 0.0001808600000000 ] - [ -0.0014261800000000, -0.0007521100000000, -0.0002279300000000 ] - [ 0.0005227900000000, 0.0002858800000000, 0.0002349300000000 ] - [ 0.0002854900000000, -0.0005533200000000, -0.0004709300000000 ] - [ 0.0018846900000000, -0.0007098000000000, -0.0006358600000000 ] - [ -0.0002115900000000, -0.0003606400000000, 0.0004260900000000 ] - [ -0.0008590300000000, 0.0003643000000000, -0.0005381200000000 ] - [ 0.0028159300000000, 0.0009608800000000, 0.0000052300000000 ] - [ -0.0000906700000000, 0.0000434300000000, -0.0001989400000000 ] - [ -0.0013289900000000, 0.0002110300000000, 0.0009054200000000 ] - [ 0.0003804000000000, 0.0005536600000000, 0.0003482900000000 ] - [ -0.0000590800000000, -0.0005916400000000, 0.0003021100000000 ] - [ 0.0064267900000000, -0.0007985200000000, 0.0017661900000000 ] - [ -0.0023743700000000, -0.0015265800000000, 0.0001912800000000 ] - [ 0.0008066100000000, 0.0009821500000000, 0.0003492000000000 ] - [ 0.0008629100000000, -0.0009381200000000, 0.0004659700000000 ] - [ 0.0034465100000000, 0.0011277900000000, 0.0004205400000000 ] - [ -0.0735766900000000, -0.0073479800000000, 0.0046950000000000 ] - [ 0.0003345700000000, -0.0001647800000000, -0.0006327100000000 ] - [ 0.0002675400000000, 0.0001534800000000, -0.0006333500000000 ] - [ 0.0163483800000000, -0.0007422800000000, 0.0001043400000000 ] - [ 0.0030605200000000, -0.0009599800000000, 0.0052141700000000 ] - [ 0.0000380500000000, -0.0005237600000000, -0.0005850900000000 ] - [ -0.0004133900000000, -0.0002992800000000, 0.0001481300000000 ] - [ -0.0007557600000000, -0.0027006600000000, -0.0049538400000000 ] - [ -0.0030638100000000, -0.0001206300000000, -0.0000478400000000 ] - [ 0.0004770400000000, 0.0003824900000000, -0.0005634100000000 ] - [ 0.0017246800000000, 0.0001241500000000, 0.0007135200000000 ] - [ 0.0003626200000000, 0.0002453800000000, 0.0009564300000000 ] - [ 0.0000635000000000, -0.0002716500000000, -0.0001881900000000 ] - [ 0.0100887400000000, -0.0068161800000000, 0.0040705300000000 ] - [ -0.0042115000000000, 0.0014889600000000, -0.0021128300000000 ] - [ -0.0000364000000000, 0.0002855800000000, 0.0000917800000000 ] - [ -0.0004327800000000, -0.0007554200000000, 0.0001243800000000 ] - [ 0.0118070500000000, 0.0066714700000000, 0.0084409600000000 ] - [ -0.0028609700000000, 0.0040035900000000, -0.0015777500000000 ] - [ -0.0000109300000000, 0.0006261100000000, 0.0001818800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005064700000000, -0.0005263900000000, -0.0000203800000000 ] - [ -0.0099516100000000, 0.0021509200000000, 0.0158385300000000 ] - [ 0.0007160800000000, -0.0000910900000000, 0.0003283600000000 ] - [ 0.0009366400000000, 0.0001694200000000, 0.0006307500000000 ] - [ 0.0011698000000000, 0.0077509900000000, -0.0056526100000000 ] - [ 0.0000826200000000, 0.0002133300000000, 0.0001244300000000 ] - [ 0.0024886400000000, -0.0011195100000000, 0.0017713800000000 ] - [ -0.0004337700000000, 0.0001751200000000, -0.0005191300000000 ] - [ -0.0000250900000000, -0.0002410000000000, -0.0000571400000000 ] - [ -0.0168474400000000, -0.0108817000000000, 0.0101615800000000 ] - [ -0.0000100600000000, 0.0006078100000000, 0.0003363500000000 ] - [ -0.0002933300000000, -0.0004707500000000, 0.0001525700000000 ] - [ 0.0048787400000000, -0.0115001400000000, -0.0027630500000000 ] - [ -0.0001533900000000, 0.0003699100000000, -0.0003192000000000 ] - [ 0.0051264800000000, -0.0009160500000000, -0.0024219400000000 ] - [ -0.0015206700000000, 0.0003124400000000, 0.0004983300000000 ] - [ 0.0081312000000000, 0.0022846800000000, -0.0032887200000000 ] - [ -0.0026944300000000, -0.0004435500000000, -0.0012836800000000 ] - [ 0.0012564900000000, 0.0001723200000000, 0.0003507000000000 ] - [ 0.0002398000000000, 0.0003763700000000, -0.0004857100000000 ] - [ 0.0035587700000000, -0.0032432500000000, 0.0059578600000000 ] - [ -0.0005095600000000, 0.0004166100000000, 0.0002656100000000 ] - [ 0.0001344200000000, -0.0000242800000000, 0.0007158400000000 ] - [ -0.0006861100000000, 0.0013914600000000, 0.0000732200000000 ] - [ 0.0006570000000000, -0.0001852600000000, 0.0000109700000000 ] - [ -0.0039012200000000, -0.0049078000000000, 0.0010538100000000 ] - [ 0.0002483300000000, 0.0004374400000000, -0.0002479300000000 ] - [ 0.0002392100000000, -0.0004467500000000, -0.0001430600000000 ] - [ 0.0083232300000000, -0.0032467700000000, -0.0038961900000000 ] - [ -0.0024470900000000, -0.0014818600000000, 0.0020832600000000 ] - [ -0.0000847400000000, -0.0002646700000000, -0.0006180900000000 ] - [ -0.0000663600000000, -0.0002110800000000, -0.0000935300000000 ] - [ 0.0028747300000000, -0.0017476600000000, -0.0048372200000000 ] - [ -0.0041076500000000, 0.0017031000000000, -0.0018935600000000 ] - [ 0.0000732800000000, -0.0003712900000000, -0.0000342900000000 ] - [ -0.0001719000000000, 0.0002688100000000, -0.0000890400000000 ] - [ -0.0000001800000000, 0.0000746300000000, 0.0001337800000000 ] - [ -0.0005969000000000, 0.0043318700000000, -0.0009490000000000 ] - [ 0.0058503300000000, 0.0085149200000000, -0.0008150500000000 ] - [ -0.0001168600000000, -0.0000434000000000, 0.0000588000000000 ] - [ -0.0110948500000000, -0.0054491200000000, -0.0064260700000000 ] - [ -0.0002643300000000, 0.0005313300000000, -0.0003714600000000 ] - [ -0.0004329800000000, -0.0006981000000000, -0.0002629400000000 ] - [ -0.0152268900000000, 0.0052427700000000, 0.0081262400000000 ] - [ -0.0002182100000000, -0.0000691200000000, 0.0000826900000000 ] - [ -0.0047372400000000, 0.0024599600000000, 0.0012530800000000 ] - [ 0.0002478000000000, -0.0004037300000000, -0.0006141800000000 ] - [ -0.0003890900000000, -0.0000258000000000, -0.0002503000000000 ] - [ 0.0005860700000000, -0.0002486300000000, 0.0001348600000000 ] - [ 0.0003114400000000, 0.0007157100000000, -0.0003271700000000 ] - [ 0.0005582400000000, -0.0004482000000000, 0.0003748600000000 ] - [ -0.0026997200000000, 0.0016979300000000, 0.0005223100000000 ] - [ -0.0001291600000000, 0.0000190500000000, -0.0003636800000000 ] - [ 0.0011887500000000, -0.0000224000000000, 0.0006041900000000 ] - [ -0.0024505800000000, -0.0012868500000000, 0.0000534800000000 ] - [ -0.0002447700000000, 0.0002975700000000, 0.0002588100000000 ] - [ 0.0010226600000000, -0.0013835200000000, -0.0003514000000000 ] - [ -0.0000714500000000, 0.0006342600000000, 0.0001981600000000 ] - [ 0.0003676600000000, -0.0005966300000000, 0.0002443500000000 ] - [ -0.0067678400000000, 0.0020804900000000, -0.0013279500000000 ] - [ 0.0007307900000000, -0.0003606600000000, 0.0005474400000000 ] - [ 0.0008284000000000, 0.0009080700000000, 0.0004033900000000 ] - [ 0.0007743900000000, -0.0009519200000000, 0.0002873700000000 ] - [ -0.0050402600000000, 0.0007933000000000, 0.0003446500000000 ] - [ 0.0724660800000000, 0.0081239100000000, -0.0050440000000000 ] - [ 0.0002659100000000, -0.0001515400000000, -0.0005292000000000 ] - [ 0.0003331500000000, 0.0001624800000000, -0.0005285600000000 ] - [ -0.0169384700000000, 0.0003045400000000, -0.0012486900000000 ] - [ -0.0026691600000000, 0.0009159100000000, -0.0055513400000000 ] - [ -0.0004016400000000, 0.0005724300000000, 0.0002778700000000 ] - [ 0.0000387600000000, 0.0002488600000000, -0.0004589400000000 ] - [ 0.0011072000000000, 0.0027370900000000, 0.0046266400000000 ] - [ 0.0021459900000000, 0.0004706100000000, 0.0007842200000000 ] - [ 0.0004382900000000, -0.0007151700000000, 0.0013194500000000 ] - [ -0.0026405400000000, -0.0004631800000000, 0.0000564900000000 ] - [ 0.0005619200000000, 0.0000869100000000, -0.0001853900000000 ] - [ -0.0000237900000000, -0.0002822700000000, 0.0003166100000000 ] - [ -0.0100865900000000, 0.0074540500000000, -0.0039683700000000 ] - [ 0.0041335700000000, -0.0020444400000000, 0.0022566700000000 ] - [ 0.0000740400000000, 0.0002689700000000, 0.0000369200000000 ] - [ -0.0000261400000000, -0.0006896900000000, 0.0002885300000000 ] - [ -0.0113920600000000, -0.0051570600000000, -0.0079204300000000 ] - [ 0.0033383200000000, -0.0054547500000000, 0.0019894300000000 ] - [ -0.0004475500000000, 0.0008186600000000, 0.0002237200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002240200000000, -0.0006471100000000, -0.0006419400000000 ] - [ 0.0010123900000000, -0.0105031200000000, 0.0042726800000000 ] - [ 0.0007371900000000, 0.0001457300000000, 0.0001635300000000 ] - [ 0.0009922500000000, 0.0004421100000000, 0.0005847700000000 ] - [ -0.0072110500000000, -0.0004095500000000, -0.0117998700000000 ] - [ 0.0002443200000000, -0.0002130700000000, 0.0000543300000000 ] - [ -0.0026824000000000, 0.0077626200000000, 0.0086848600000000 ] - [ 0.0003338700000000, 0.0036375500000000, 0.0002454400000000 ] - [ 0.0000133800000000, -0.0002053900000000, 0.0002453100000000 ] - [ 0.0045915300000000, -0.0105783100000000, -0.0057349000000000 ] - [ -0.0001081000000000, 0.0006046300000000, 0.0003558500000000 ] - [ -0.0003142300000000, -0.0003424400000000, 0.0000819300000000 ] - [ 0.0038805100000000, 0.0159711800000000, 0.0054085600000000 ] - [ 0.0002004600000000, -0.0005838000000000, 0.0002573100000000 ] - [ 0.0054948800000000, 0.0029710600000000, -0.0105662900000000 ] - [ -0.0007040300000000, 0.0025516800000000, 0.0007349200000000 ] - [ 0.0004732100000000, 0.0027364300000000, 0.0020758500000000 ] - [ 0.0006526900000000, -0.0091389000000000, -0.0032126200000000 ] - [ 0.0004075300000000, -0.0035372300000000, -0.0018977500000000 ] - [ 0.0002561500000000, 0.0005756400000000, -0.0006318500000000 ] - [ 0.0032472700000000, 0.0059336700000000, 0.0028374700000000 ] - [ 0.0000371400000000, 0.0008056500000000, -0.0002154100000000 ] - [ -0.0003352900000000, -0.0018624600000000, 0.0001217000000000 ] - [ 0.0010679800000000, -0.0033034300000000, -0.0029377800000000 ] - [ 0.0000740700000000, 0.0001721600000000, -0.0000495600000000 ] - [ 0.0029918100000000, -0.0057916900000000, 0.0044951800000000 ] - [ 0.0001768900000000, 0.0003431800000000, -0.0002036700000000 ] - [ 0.0003185000000000, -0.0004338700000000, 0.0000529800000000 ] - [ 0.0008415000000000, 0.0067346100000000, -0.0033155300000000 ] - [ -0.0003089300000000, -0.0003932400000000, 0.0037150600000000 ] - [ -0.0001109300000000, -0.0004867500000000, -0.0006331300000000 ] - [ 0.0000799800000000, -0.0000541200000000, 0.0001178300000000 ] - [ -0.0010864900000000, 0.0030599200000000, -0.0007624700000000 ] - [ -0.0008880500000000, 0.0085325100000000, -0.0007187900000000 ] - [ -0.0000491500000000, -0.0006401900000000, 0.0000610200000000 ] - [ -0.0000875500000000, -0.0000459100000000, 0.0000241600000000 ] - [ -0.0000172700000000, 0.0000675400000000, 0.0001398200000000 ] - [ -0.0011648600000000, -0.0075360300000000, 0.0013815500000000 ] - [ -0.0061897800000000, 0.0009380000000000, 0.0030971200000000 ] - [ -0.0001295400000000, 0.0000245500000000, 0.0002326200000000 ] - [ 0.0067817700000000, 0.0070819800000000, 0.0040159500000000 ] - [ -0.0003057800000000, 0.0003689600000000, -0.0002929100000000 ] - [ -0.0003373800000000, -0.0007452800000000, -0.0003207400000000 ] - [ -0.0032221900000000, 0.0095901200000000, 0.0021230200000000 ] - [ -0.0002758600000000, -0.0002484900000000, 0.0002473900000000 ] - [ 0.0016012700000000, -0.0055710500000000, -0.0032903300000000 ] - [ 0.0002168300000000, -0.0002054700000000, -0.0005058900000000 ] - [ -0.0002754900000000, 0.0001627100000000, -0.0002237500000000 ] - [ -0.0007266900000000, -0.0013619100000000, -0.0009828200000000 ] - [ 0.0003439000000000, 0.0001268300000000, 0.0006405100000000 ] - [ 0.0001513700000000, -0.0000329800000000, -0.0012816800000000 ] - [ -0.0023727800000000, 0.0024934600000000, 0.0034621000000000 ] - [ 0.0000799500000000, 0.0001869900000000, 0.0002927700000000 ] - [ 0.0006046500000000, -0.0023502900000000, 0.0007563700000000 ] - [ -0.0015243000000000, -0.0041999900000000, 0.0014258400000000 ] - [ -0.0002169000000000, 0.0008643200000000, 0.0002465100000000 ] - [ 0.0001477800000000, -0.0024631300000000, -0.0007771600000000 ] - [ 0.0002577600000000, 0.0005691400000000, 0.0005501300000000 ] - [ 0.0000505300000000, -0.0003417300000000, -0.0000139200000000 ] - [ -0.0035448100000000, 0.0086890500000000, -0.0039410000000000 ] - [ -0.0012200700000000, -0.0031254400000000, 0.0009824400000000 ] - [ 0.0008699200000000, 0.0009105500000000, 0.0002505700000000 ] - [ 0.0005883100000000, -0.0006971000000000, 0.0006071800000000 ] - [ 0.0009044300000000, 0.0092889400000000, 0.0094032400000000 ] - [ -0.0078272600000000, -0.0574675500000000, -0.0126596200000000 ] - [ 0.0002945300000000, -0.0000512100000000, -0.0005964700000000 ] - [ 0.0003054100000000, 0.0003280400000000, -0.0006143100000000 ] - [ 0.0002193500000000, -0.0000711100000000, -0.0010476000000000 ] - [ 0.0002207100000000, -0.0047453400000000, 0.0013616400000000 ] - [ -0.0004426200000000, 0.0003048300000000, 0.0003894700000000 ] - [ 0.0000623200000000, 0.0012528600000000, -0.0001045600000000 ] - [ -0.0018450500000000, -0.0010880500000000, 0.0038429600000000 ] - [ -0.0007700900000000, -0.0026437400000000, 0.0006212100000000 ] - [ 0.0009462300000000, 0.0004590500000000, -0.0006319900000000 ] - [ -0.0008338700000000, -0.0002759800000000, -0.0010556400000000 ] - [ 0.0005064100000000, 0.0022866700000000, 0.0009082500000000 ] - [ 0.0000268100000000, -0.0006537300000000, -0.0000010700000000 ] - [ -0.0071920300000000, 0.0109661500000000, -0.0015116600000000 ] - [ 0.0001711600000000, 0.0157234400000000, -0.0000889500000000 ] - [ -0.0000098600000000, 0.0000464200000000, -0.0001100100000000 ] - [ -0.0004170900000000, -0.0011042200000000, -0.0008631900000000 ] - [ 0.0076065300000000, -0.0002339900000000, 0.0071262100000000 ] - [ 0.0036366600000000, 0.0098567300000000, -0.0052231400000000 ] - [ -0.0001963600000000, 0.0008167200000000, 0.0007643500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001754300000000, -0.0001159200000000, 0.0002249400000000 ] - [ -0.0026080000000000, 0.0107518500000000, -0.0034783400000000 ] - [ 0.0009152900000000, -0.0004272000000000, 0.0006918200000000 ] - [ 0.0006593800000000, -0.0001631300000000, 0.0002684300000000 ] - [ 0.0056527400000000, 0.0001831700000000, 0.0127511500000000 ] - [ -0.0002248300000000, 0.0007309400000000, -0.0001897400000000 ] - [ 0.0026860600000000, -0.0083013900000000, -0.0086882100000000 ] - [ -0.0003536800000000, -0.0031174300000000, -0.0003710200000000 ] - [ 0.0000070800000000, -0.0003106500000000, -0.0003824000000000 ] - [ -0.0042841800000000, 0.0093870700000000, 0.0061781900000000 ] - [ -0.0002343800000000, 0.0004599700000000, 0.0000878000000000 ] - [ -0.0000280300000000, -0.0007233900000000, 0.0003623400000000 ] - [ -0.0036724400000000, -0.0149636100000000, -0.0050962800000000 ] - [ 0.0001985400000000, 0.0013542700000000, -0.0006798000000000 ] - [ -0.0059283900000000, -0.0037591800000000, 0.0101042600000000 ] - [ 0.0003076100000000, -0.0017737500000000, -0.0011661800000000 ] - [ 0.0000941900000000, -0.0027742400000000, -0.0021515100000000 ] - [ -0.0011243300000000, 0.0098405900000000, 0.0022022900000000 ] - [ -0.0009023700000000, 0.0027700900000000, 0.0009495400000000 ] - [ 0.0002347200000000, 0.0001950600000000, -0.0003066000000000 ] - [ -0.0031304500000000, -0.0066327500000000, -0.0028813900000000 ] - [ 0.0000928600000000, -0.0002302700000000, 0.0007086700000000 ] - [ 0.0002046700000000, 0.0012895800000000, 0.0003678200000000 ] - [ -0.0012095800000000, 0.0038958400000000, 0.0034007200000000 ] - [ 0.0000563500000000, -0.0007526200000000, 0.0005412300000000 ] - [ -0.0034429100000000, 0.0047307700000000, -0.0047812100000000 ] - [ 0.0003120800000000, 0.0005205000000000, -0.0001122100000000 ] - [ 0.0001702100000000, -0.0004295800000000, -0.0003703600000000 ] - [ -0.0013773200000000, -0.0058299000000000, 0.0030102700000000 ] - [ 0.0004720500000000, 0.0003350200000000, -0.0043845400000000 ] - [ -0.0000692900000000, 0.0005298100000000, -0.0000183900000000 ] - [ -0.0002594300000000, 0.0000131500000000, -0.0007735800000000 ] - [ 0.0012616800000000, -0.0030018500000000, 0.0001234400000000 ] - [ 0.0009210700000000, -0.0079788700000000, 0.0007552000000000 ] - [ -0.0000606700000000, 0.0000168700000000, -0.0001338800000000 ] - [ -0.0000228000000000, 0.0006720200000000, -0.0000963400000000 ] - [ -0.0001001300000000, 0.0000652900000000, 0.0001381800000000 ] - [ 0.0013126300000000, 0.0074206300000000, -0.0010803000000000 ] - [ 0.0063622800000000, -0.0006584500000000, -0.0028224900000000 ] - [ 0.0000122800000000, -0.0001575700000000, 0.0000450600000000 ] - [ -0.0063975100000000, -0.0085313000000000, -0.0048457700000000 ] - [ -0.0003726100000000, 0.0008423600000000, -0.0002777800000000 ] - [ -0.0003412600000000, -0.0004644900000000, -0.0002502200000000 ] - [ 0.0038991300000000, -0.0083109800000000, -0.0026698000000000 ] - [ -0.0002755300000000, 0.0001760300000000, -0.0003191000000000 ] - [ -0.0010318800000000, 0.0056625600000000, 0.0032659400000000 ] - [ 0.0002742800000000, -0.0005668900000000, -0.0004336600000000 ] - [ -0.0002749600000000, -0.0000898300000000, 0.0001523500000000 ] - [ -0.0001104600000000, 0.0003533200000000, 0.0008903300000000 ] - [ 0.0004943500000000, 0.0008680100000000, -0.0007439800000000 ] - [ 0.0006850500000000, -0.0009648200000000, 0.0011905000000000 ] - [ 0.0015359300000000, -0.0014824400000000, -0.0035603100000000 ] - [ -0.0004199200000000, -0.0005291100000000, -0.0002326800000000 ] - [ -0.0002602200000000, 0.0026927800000000, -0.0006883500000000 ] - [ 0.0018778000000000, 0.0038837800000000, -0.0013520400000000 ] - [ -0.0001240100000000, -0.0005271500000000, -0.0001866600000000 ] - [ -0.0004786100000000, 0.0012699600000000, 0.0013389100000000 ] - [ 0.0000583200000000, 0.0006118600000000, -0.0000006000000000 ] - [ 0.0002669600000000, -0.0008407800000000, 0.0005664700000000 ] - [ 0.0030756500000000, -0.0071961300000000, 0.0040873700000000 ] - [ -0.0004073500000000, 0.0012166000000000, -0.0002355500000000 ] - [ 0.0007652000000000, 0.0009838100000000, 0.0005027700000000 ] - [ 0.0010473000000000, -0.0011987200000000, 0.0001441100000000 ] - [ -0.0024804100000000, -0.0071988500000000, -0.0082890900000000 ] - [ 0.0076453600000000, 0.0577412400000000, 0.0115990700000000 ] - [ 0.0003064400000000, -0.0002672200000000, -0.0005631800000000 ] - [ 0.0002950800000000, -0.0000109000000000, -0.0005450900000000 ] - [ -0.0008260700000000, -0.0001973900000000, -0.0001157100000000 ] - [ 0.0001554500000000, 0.0047053500000000, -0.0016422000000000 ] - [ 0.0000715400000000, -0.0002633000000000, -0.0006965200000000 ] - [ -0.0004260900000000, -0.0013002200000000, -0.0001995100000000 ] - [ 0.0022221800000000, 0.0011680200000000, -0.0041463700000000 ] - [ -0.0001524000000000, 0.0029809400000000, 0.0001248700000000 ] - [ -0.0000228700000000, -0.0008053300000000, 0.0014006000000000 ] - [ -0.0000858200000000, -0.0000545400000000, 0.0018162500000000 ] - [ 0.0004123900000000, -0.0019559100000000, -0.0001511700000000 ] - [ 0.0000087400000000, 0.0001002300000000, 0.0001360000000000 ] - [ 0.0070622500000000, -0.0104162700000000, 0.0016076000000000 ] - [ -0.0001476800000000, -0.0162636300000000, 0.0001917300000000 ] - [ 0.0000464600000000, 0.0005096200000000, 0.0002451300000000 ] - [ -0.0000440500000000, -0.0003393700000000, 0.0012770900000000 ] - [ -0.0071212700000000, 0.0016228500000000, -0.0067031100000000 ] - [ -0.0032149100000000, -0.0113026700000000, 0.0057213400000000 ] - [ -0.0002659200000000, 0.0006281900000000, -0.0003565800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013668500000000, -0.0004546800000000, 0.0021227300000000 ] - [ -0.0153341500000000, 0.0066759900000000, 0.0048449700000000 ] - [ 0.0010226200000000, -0.0003289900000000, 0.0032907600000000 ] - [ 0.0007249300000000, -0.0002053000000000, 0.0028964000000000 ] - [ 0.0012619900000000, -0.0118576500000000, 0.0028642100000000 ] - [ -0.0000330300000000, 0.0004764500000000, 0.0030368900000000 ] - [ -0.0056105800000000, 0.0142132200000000, -0.0003081500000000 ] - [ -0.0002452300000000, -0.0012621300000000, -0.0032392400000000 ] - [ 0.0002499500000000, 0.0000714500000000, 0.0031619100000000 ] - [ -0.0079098300000000, -0.0110933400000000, -0.0019959100000000 ] - [ 0.0010992600000000, 0.0001384900000000, 0.0024698900000000 ] - [ 0.0007689200000000, -0.0001731600000000, 0.0020719200000000 ] - [ 0.0017062400000000, 0.0141679100000000, -0.0024565600000000 ] - [ 0.0013271900000000, -0.0002535100000000, 0.0025800700000000 ] - [ -0.0049250000000000, -0.0083822000000000, 0.0091934400000000 ] - [ 0.0005894100000000, 0.0006960600000000, -0.0008651100000000 ] - [ 0.0002783000000000, 0.0033169800000000, 0.0007675000000000 ] - [ 0.0016238500000000, -0.0044375700000000, 0.0075167700000000 ] - [ -0.0006706300000000, 0.0004866300000000, 0.0050552800000000 ] - [ 0.0002923200000000, 0.0006083600000000, -0.0036031700000000 ] - [ -0.0049848900000000, 0.0042351100000000, -0.0002274500000000 ] - [ -0.0002273500000000, -0.0005602000000000, -0.0029190100000000 ] - [ -0.0004356300000000, -0.0012530900000000, 0.0010207200000000 ] - [ 0.0014654000000000, -0.0033336800000000, -0.0014177000000000 ] - [ -0.0002127400000000, -0.0002096400000000, -0.0025749500000000 ] - [ -0.0014390900000000, 0.0054905600000000, 0.0067997200000000 ] - [ 0.0002980200000000, 0.0012312500000000, -0.0025957700000000 ] - [ 0.0000964400000000, -0.0011292700000000, -0.0028685000000000 ] - [ 0.0047068000000000, -0.0040939100000000, 0.0081629200000000 ] - [ 0.0003429400000000, 0.0024379200000000, -0.0011871700000000 ] - [ 0.0000255400000000, -0.0003298500000000, -0.0024541000000000 ] - [ -0.0005757200000000, 0.0007624800000000, -0.0030621900000000 ] - [ 0.0019157500000000, -0.0019874600000000, -0.0020537200000000 ] - [ 0.0014157000000000, -0.0003262600000000, 0.0059525800000000 ] - [ -0.0001779600000000, -0.0000815600000000, -0.0016041100000000 ] - [ 0.0000294400000000, 0.0006992400000000, -0.0016957100000000 ] - [ -0.0001715200000000, -0.0002970000000000, -0.0020865700000000 ] - [ 0.0003639200000000, -0.0044512100000000, 0.0070177400000000 ] - [ 0.0013912200000000, 0.0035976400000000, 0.0096105300000000 ] - [ -0.0002051500000000, 0.0003809800000000, -0.0024857000000000 ] - [ 0.0053123000000000, 0.0016397500000000, 0.0110155700000000 ] - [ -0.0004225600000000, 0.0004913000000000, -0.0020361300000000 ] - [ -0.0004989300000000, -0.0006081900000000, -0.0021108500000000 ] - [ -0.0072888800000000, 0.0045056600000000, 0.0122734500000000 ] - [ -0.0007735500000000, 0.0000742200000000, -0.0023258900000000 ] - [ 0.0005392800000000, -0.0050638400000000, 0.0000693100000000 ] - [ 0.0003792000000000, -0.0008594400000000, -0.0034657900000000 ] - [ -0.0007005700000000, -0.0002362000000000, -0.0029609700000000 ] - [ -0.0010522100000000, -0.0015850300000000, -0.0011142800000000 ] - [ 0.0002670700000000, 0.0002502300000000, -0.0019864800000000 ] - [ -0.0004119000000000, -0.0002863400000000, -0.0027994500000000 ] - [ 0.0008257200000000, 0.0020350800000000, -0.0061978400000000 ] - [ 0.0000579700000000, -0.0000672700000000, -0.0027347700000000 ] - [ -0.0000166800000000, 0.0004136200000000, 0.0009555100000000 ] - [ 0.0036489400000000, 0.0041265100000000, 0.0001720800000000 ] - [ -0.0006032600000000, 0.0007077500000000, -0.0026691100000000 ] - [ -0.0005114400000000, -0.0014184500000000, 0.0026136600000000 ] - [ -0.0007446900000000, 0.0006753900000000, -0.0021277000000000 ] - [ -0.0008683300000000, -0.0005647400000000, -0.0024427100000000 ] - [ 0.0015802700000000, -0.0013597900000000, 0.0117867900000000 ] - [ -0.0001363000000000, 0.0008948400000000, 0.0024055100000000 ] - [ 0.0006314600000000, 0.0007271000000000, -0.0012634300000000 ] - [ 0.0011353900000000, -0.0009278900000000, -0.0014451600000000 ] - [ 0.0008007600000000, 0.0067732000000000, 0.0182512000000000 ] - [ 0.0046839700000000, -0.0122855600000000, -0.0944288500000000 ] - [ 0.0003523600000000, -0.0001415500000000, 0.0023107500000000 ] - [ 0.0003524300000000, 0.0001245300000000, 0.0022295500000000 ] - [ 0.0003734400000000, 0.0003212300000000, -0.0120423900000000 ] - [ 0.0052739800000000, 0.0007536100000000, 0.0083099800000000 ] - [ -0.0006053900000000, 0.0006811300000000, 0.0026217500000000 ] - [ 0.0001375700000000, 0.0001566700000000, 0.0025856000000000 ] - [ -0.0032681000000000, 0.0039633900000000, 0.0064744400000000 ] - [ -0.0005944200000000, -0.0002053400000000, 0.0099302100000000 ] - [ -0.0004448500000000, -0.0011659800000000, 0.0023178700000000 ] - [ -0.0005085100000000, -0.0014678600000000, 0.0038359200000000 ] - [ 0.0010139500000000, -0.0003351500000000, 0.0028357500000000 ] - [ 0.0000854100000000, -0.0001580200000000, 0.0050859200000000 ] - [ 0.0039611100000000, -0.0032532400000000, -0.0129483200000000 ] - [ -0.0014632800000000, -0.0023076700000000, -0.0114730700000000 ] - [ 0.0000029300000000, 0.0000499800000000, 0.0048980800000000 ] - [ -0.0000098300000000, -0.0007786400000000, 0.0060019700000000 ] - [ 0.0098207000000000, 0.0088708500000000, -0.0006213300000000 ] - [ -0.0013187100000000, -0.0072467100000000, -0.0023695700000000 ] - [ -0.0001983500000000, 0.0009018300000000, 0.0038470700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009664300000000, -0.0003226000000000, -0.0025446200000000 ] - [ 0.0135008000000000, -0.0063738600000000, -0.0039783700000000 ] - [ 0.0006283800000000, 0.0000519100000000, -0.0024327600000000 ] - [ 0.0009285400000000, 0.0004872300000000, -0.0020367700000000 ] - [ -0.0028632200000000, 0.0114665000000000, -0.0020510800000000 ] - [ 0.0000539100000000, 0.0000403700000000, -0.0031718800000000 ] - [ 0.0055651000000000, -0.0146187500000000, 0.0001783000000000 ] - [ 0.0002249500000000, 0.0017841500000000, 0.0030848000000000 ] - [ -0.0002327100000000, -0.0005948700000000, -0.0032991000000000 ] - [ 0.0082710600000000, 0.0100136600000000, 0.0025074600000000 ] - [ -0.0014380100000000, 0.0009297700000000, -0.0020231000000000 ] - [ -0.0011108500000000, -0.0008926000000000, -0.0016277400000000 ] - [ -0.0014173200000000, -0.0130607200000000, 0.0029347500000000 ] - [ -0.0009262500000000, 0.0010244300000000, -0.0029978400000000 ] - [ 0.0044917800000000, 0.0077342100000000, -0.0096474500000000 ] - [ -0.0009903500000000, 0.0000738500000000, 0.0004599900000000 ] - [ 0.0002958200000000, -0.0033724000000000, -0.0008778300000000 ] - [ -0.0021013300000000, 0.0051880700000000, -0.0084102800000000 ] - [ 0.0001818900000000, -0.0012594600000000, -0.0059783900000000 ] - [ 0.0001993600000000, 0.0001659100000000, 0.0026640600000000 ] - [ 0.0051027000000000, -0.0048443300000000, 0.0002426300000000 ] - [ 0.0003596900000000, 0.0011456900000000, 0.0034140900000000 ] - [ 0.0003029100000000, 0.0006684000000000, -0.0005164100000000 ] - [ -0.0016018400000000, 0.0038938500000000, 0.0019122600000000 ] - [ 0.0003426300000000, -0.0003675500000000, 0.0030664700000000 ] - [ 0.0009705900000000, -0.0063883900000000, -0.0070354200000000 ] - [ 0.0001902200000000, -0.0003664900000000, 0.0022752000000000 ] - [ 0.0003944600000000, 0.0002628000000000, 0.0025483100000000 ] - [ -0.0052013000000000, 0.0049483100000000, -0.0084017200000000 ] - [ -0.0001762300000000, -0.0024655400000000, 0.0005576800000000 ] - [ -0.0002059300000000, 0.0003734900000000, 0.0017954400000000 ] - [ 0.0004016100000000, -0.0008095200000000, 0.0024056700000000 ] - [ -0.0017231000000000, 0.0020365100000000, 0.0014170900000000 ] - [ -0.0015308800000000, 0.0008257100000000, -0.0057013400000000 ] - [ 0.0000690800000000, -0.0005456400000000, 0.0015280500000000 ] - [ -0.0001398700000000, -0.0000785600000000, 0.0016209800000000 ] - [ 0.0000549800000000, 0.0004312500000000, 0.0023626600000000 ] - [ -0.0002421600000000, 0.0042998600000000, -0.0067256100000000 ] - [ -0.0012188200000000, -0.0034239400000000, -0.0093534600000000 ] - [ 0.0000868900000000, -0.0005141800000000, 0.0027637200000000 ] - [ -0.0049504800000000, -0.0031496500000000, -0.0118055000000000 ] - [ -0.0002563400000000, 0.0007189300000000, 0.0014653400000000 ] - [ -0.0001810300000000, -0.0006049500000000, 0.0015392900000000 ] - [ 0.0084036200000000, -0.0033514600000000, -0.0130258300000000 ] - [ 0.0002223100000000, -0.0001447900000000, 0.0022542900000000 ] - [ 0.0000334600000000, 0.0051518300000000, -0.0001593400000000 ] - [ 0.0001119700000000, 0.0000888800000000, 0.0025246300000000 ] - [ 0.0001515000000000, 0.0003033600000000, 0.0028820100000000 ] - [ 0.0002143100000000, 0.0005893600000000, 0.0010010900000000 ] - [ 0.0005694800000000, 0.0007515300000000, 0.0018982600000000 ] - [ 0.0012420100000000, -0.0007174700000000, 0.0027047300000000 ] - [ -0.0016674100000000, -0.0010788600000000, 0.0061420900000000 ] - [ -0.0003948900000000, -0.0002645500000000, 0.0027892100000000 ] - [ 0.0003575800000000, -0.0000716100000000, -0.0009107100000000 ] - [ -0.0033045100000000, -0.0044836900000000, -0.0001271800000000 ] - [ 0.0002563900000000, -0.0003677900000000, 0.0027233600000000 ] - [ 0.0001942900000000, 0.0002326000000000, -0.0020742100000000 ] - [ 0.0010613700000000, 0.0005089500000000, 0.0026792300000000 ] - [ 0.0011839800000000, -0.0006188100000000, 0.0029916300000000 ] - [ -0.0021104000000000, 0.0029898700000000, -0.0117197400000000 ] - [ -0.0014963400000000, -0.0027896900000000, -0.0016422400000000 ] - [ 0.0010061900000000, 0.0011726600000000, 0.0020128300000000 ] - [ 0.0004962800000000, -0.0009691300000000, 0.0021956500000000 ] - [ -0.0023196300000000, -0.0043058200000000, -0.0167440500000000 ] - [ -0.0050429100000000, 0.0119768000000000, 0.0927730400000000 ] - [ 0.0002489900000000, -0.0001748200000000, -0.0034682300000000 ] - [ 0.0002478100000000, 0.0001937400000000, -0.0033869200000000 ] - [ -0.0009797500000000, -0.0006107100000000, 0.0108558800000000 ] - [ -0.0049834600000000, -0.0008133100000000, -0.0086654000000000 ] - [ 0.0002352100000000, -0.0006301100000000, -0.0029322600000000 ] - [ -0.0005030300000000, -0.0002009900000000, -0.0028965900000000 ] - [ 0.0036846400000000, -0.0039552900000000, -0.0068082800000000 ] - [ -0.0003340200000000, 0.0005407400000000, -0.0090631000000000 ] - [ 0.0013784200000000, 0.0008327400000000, -0.0015341700000000 ] - [ -0.0004122100000000, 0.0011240100000000, -0.0030728600000000 ] - [ -0.0000970100000000, 0.0006754100000000, -0.0020546200000000 ] - [ -0.0000509100000000, -0.0003976000000000, -0.0049454500000000 ] - [ -0.0039979000000000, 0.0037795800000000, 0.0131030100000000 ] - [ 0.0014357000000000, 0.0017570900000000, 0.0116321900000000 ] - [ 0.0000341200000000, 0.0005010400000000, -0.0047585000000000 ] - [ -0.0004552800000000, -0.0006631700000000, -0.0056057800000000 ] - [ -0.0092844900000000, -0.0073951700000000, 0.0009906200000000 ] - [ 0.0017846000000000, 0.0057849200000000, 0.0027417600000000 ] - [ -0.0002629700000000, 0.0005388800000000, -0.0034276200000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000793400000000, -0.0003417200000000, -0.0002284900000000 ] - [ -0.0011051700000000, 0.0006426400000000, 0.0001858600000000 ] - [ 0.0005719200000000, -0.0000287000000000, 0.0011599700000000 ] - [ 0.0017004100000000, 0.0006678400000000, 0.0005068700000000 ] - [ -0.0006111700000000, 0.0001395100000000, 0.0006297800000000 ] - [ 0.0039545900000000, -0.0050790300000000, 0.0089274600000000 ] - [ 0.0000799400000000, -0.0004767700000000, 0.0001629000000000 ] - [ -0.0000042300000000, 0.0001987900000000, -0.0001106500000000 ] - [ -0.0021330000000000, -0.0053799800000000, -0.0076820800000000 ] - [ 0.0102868200000000, -0.0018329100000000, -0.0077826000000000 ] - [ -0.0003969700000000, 0.0008673800000000, -0.0000366000000000 ] - [ 0.0000092800000000, -0.0003155500000000, 0.0004445700000000 ] - [ -0.0009642100000000, -0.0028329500000000, 0.0035683200000000 ] - [ 0.0003400000000000, 0.0004420100000000, -0.0001828400000000 ] - [ 0.0064624900000000, 0.0130991600000000, 0.0061509800000000 ] - [ 0.0013133000000000, 0.0034239000000000, -0.0037624500000000 ] - [ 0.0098088400000000, -0.0055435900000000, -0.0020982400000000 ] - [ 0.0001008300000000, 0.0002850500000000, -0.0010452200000000 ] - [ -0.0003712600000000, -0.0002051900000000, -0.0004476300000000 ] - [ 0.0003756000000000, 0.0004660500000000, 0.0042964800000000 ] - [ -0.0001935000000000, -0.0005686700000000, 0.0000846400000000 ] - [ 0.0062530900000000, -0.0016518800000000, -0.0015491500000000 ] - [ -0.0000825100000000, -0.0002160100000000, 0.0002945800000000 ] - [ -0.0000346900000000, 0.0003342400000000, 0.0000478100000000 ] - [ 0.0054225300000000, -0.0005156600000000, 0.0010283500000000 ] - [ -0.0005671900000000, -0.0007068600000000, -0.0004671900000000 ] - [ -0.0007143100000000, 0.0001325000000000, -0.0002142900000000 ] - [ 0.0013673700000000, -0.0008891500000000, -0.0002492700000000 ] - [ 0.0004732500000000, 0.0001803700000000, 0.0004619200000000 ] - [ 0.0000025400000000, -0.0001055700000000, -0.0004021000000000 ] - [ -0.0019218000000000, -0.0000649400000000, -0.0005017000000000 ] - [ 0.0048569800000000, 0.0006814700000000, -0.0009051200000000 ] - [ 0.0001832400000000, -0.0001180400000000, -0.0001760700000000 ] - [ 0.0003653000000000, 0.0000263500000000, -0.0002230400000000 ] - [ 0.0006578300000000, -0.0013315400000000, -0.0002218100000000 ] - [ -0.0007579900000000, -0.0009198300000000, 0.0002641200000000 ] - [ 0.0002514900000000, -0.0001009000000000, -0.0004751500000000 ] - [ 0.0009158000000000, 0.0016893100000000, -0.0012225400000000 ] - [ -0.0030655300000000, 0.0028196600000000, 0.0034160100000000 ] - [ -0.0004363500000000, -0.0002290100000000, 0.0010161500000000 ] - [ 0.0057481600000000, -0.0019905900000000, 0.0037826700000000 ] - [ -0.0002114200000000, 0.0005117000000000, -0.0003743600000000 ] - [ -0.0004725900000000, -0.0007371700000000, -0.0002093800000000 ] - [ -0.0064916200000000, -0.0010039800000000, 0.0020662100000000 ] - [ -0.0004103500000000, -0.0000337200000000, -0.0001229400000000 ] - [ -0.0011043100000000, 0.0027625100000000, -0.0023444000000000 ] - [ 0.0000806600000000, -0.0005479500000000, -0.0057374900000000 ] - [ -0.0000915600000000, 0.0000350200000000, 0.0000587700000000 ] - [ 0.0016721300000000, -0.0041041800000000, -0.0002349300000000 ] - [ 0.0004869000000000, 0.0004985200000000, -0.0001219100000000 ] - [ 0.0003214500000000, -0.0004942300000000, 0.0000493900000000 ] - [ -0.0046358300000000, -0.0040774800000000, 0.0006678000000000 ] - [ -0.0000971500000000, -0.0001968300000000, -0.0000015900000000 ] - [ 0.0016877100000000, -0.0010311700000000, 0.0013100400000000 ] - [ -0.0031068100000000, -0.0052220900000000, -0.0012904000000000 ] - [ -0.0002517300000000, 0.0001475800000000, 0.0000449400000000 ] - [ -0.0022072200000000, -0.0018288100000000, 0.0019536000000000 ] - [ -0.0000072600000000, 0.0005968600000000, 0.0004325800000000 ] - [ 0.0003087800000000, -0.0005719600000000, 0.0000879000000000 ] - [ 0.0048513400000000, -0.0032263400000000, -0.0035975300000000 ] - [ -0.0006545500000000, -0.0010020300000000, 0.0004869500000000 ] - [ 0.0041767400000000, 0.0042529900000000, 0.0018468800000000 ] - [ -0.0031508800000000, 0.0025116500000000, -0.0011136800000000 ] - [ -0.0010939400000000, 0.0008658700000000, 0.0002249700000000 ] - [ 0.0025458400000000, 0.0001874000000000, 0.0045605800000000 ] - [ 0.0005209100000000, -0.0004145800000000, -0.0001612400000000 ] - [ 0.0000723200000000, -0.0000857600000000, -0.0008999500000000 ] - [ -0.0012096600000000, 0.0018706900000000, -0.0040563200000000 ] - [ -0.0646269800000000, 0.0110541100000000, 0.0041869700000000 ] - [ -0.0002883700000000, 0.0000046500000000, -0.0001391400000000 ] - [ -0.0000874900000000, -0.0000244300000000, -0.0001480400000000 ] - [ 0.0214244700000000, 0.0003288100000000, 0.0002495200000000 ] - [ -0.0004456800000000, 0.0001726000000000, 0.0003784100000000 ] - [ 0.0073202700000000, -0.0056322200000000, 0.0027551400000000 ] - [ -0.0004823100000000, -0.0001500600000000, 0.0004172600000000 ] - [ -0.0018650000000000, -0.0003342800000000, -0.0004460400000000 ] - [ -0.0017157300000000, -0.0002231400000000, 0.0000163300000000 ] - [ -0.0070892000000000, -0.0015826900000000, -0.0020423200000000 ] - [ 0.0031775700000000, 0.0000069300000000, 0.0019315400000000 ] - [ 0.0017002200000000, 0.0003601300000000, 0.0002716400000000 ] - [ 0.0041539900000000, 0.0056540900000000, -0.0121700600000000 ] - [ 0.0003908300000000, 0.0006968200000000, -0.0006420300000000 ] - [ 0.0000984800000000, -0.0006677700000000, 0.0006950400000000 ] - [ -0.0014140400000000, 0.0060227600000000, 0.0047161400000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003187700000000, -0.0004295400000000, -0.0001941100000000 ] - [ -0.0005456800000000, -0.0003655300000000, 0.0006652200000000 ] - [ 0.0010975700000000, -0.0002621900000000, -0.0002756700000000 ] - [ -0.0000495200000000, -0.0003860300000000, 0.0003432000000000 ] - [ -0.0010412400000000, -0.0004209600000000, 0.0002240000000000 ] - [ -0.0039674900000000, 0.0055817800000000, -0.0091212900000000 ] - [ -0.0000999600000000, -0.0000409500000000, -0.0003019300000000 ] - [ -0.0000143200000000, 0.0003215700000000, -0.0000267300000000 ] - [ 0.0021639700000000, 0.0048565700000000, 0.0075408100000000 ] - [ -0.0099567400000000, 0.0008640200000000, 0.0082732600000000 ] - [ 0.0000522800000000, 0.0002018700000000, 0.0004775000000000 ] - [ -0.0003515500000000, -0.0007515500000000, -0.0000019200000000 ] - [ 0.0012354300000000, 0.0039970600000000, -0.0031122000000000 ] - [ 0.0000592200000000, 0.0003295700000000, -0.0002393300000000 ] - [ -0.0068412500000000, -0.0137237400000000, -0.0064588300000000 ] - [ -0.0016957100000000, -0.0026349300000000, 0.0033050900000000 ] - [ -0.0096669300000000, 0.0058715900000000, 0.0023387600000000 ] - [ -0.0005899400000000, 0.0004853300000000, 0.0001097500000000 ] - [ -0.0001216700000000, -0.0005687100000000, -0.0004933400000000 ] - [ 0.0001088200000000, 0.0003135000000000, -0.0052318300000000 ] - [ 0.0003024100000000, -0.0000541100000000, -0.0001590600000000 ] - [ -0.0058253600000000, 0.0020524000000000, 0.0017524900000000 ] - [ -0.0000484100000000, -0.0003638800000000, 0.0002005800000000 ] - [ -0.0000958000000000, 0.0002443500000000, 0.0004484100000000 ] - [ -0.0057260400000000, -0.0001313700000000, -0.0009000000000000 ] - [ 0.0000811300000000, -0.0001568600000000, 0.0001500200000000 ] - [ 0.0012029100000000, 0.0007306300000000, -0.0001001000000000 ] - [ -0.0008750000000000, 0.0000204100000000, -0.0000837800000000 ] - [ -0.0009668800000000, 0.0006873100000000, -0.0007751000000000 ] - [ 0.0001774100000000, 0.0000620100000000, -0.0002505500000000 ] - [ 0.0017392600000000, 0.0001137000000000, -0.0001460800000000 ] - [ -0.0050345700000000, -0.0007263800000000, 0.0002452300000000 ] - [ -0.0000058800000000, 0.0001632900000000, -0.0004741500000000 ] - [ -0.0002548900000000, 0.0006010300000000, 0.0001556100000000 ] - [ -0.0007812000000000, 0.0007181200000000, 0.0001400500000000 ] - [ 0.0006533400000000, 0.0015389400000000, -0.0003350000000000 ] - [ -0.0003693200000000, 0.0002358100000000, 0.0007545400000000 ] - [ -0.0007912200000000, -0.0018618700000000, 0.0015077000000000 ] - [ 0.0031770800000000, -0.0027124800000000, -0.0031352300000000 ] - [ 0.0003201600000000, 0.0000942000000000, -0.0007309000000000 ] - [ -0.0050875000000000, 0.0007443700000000, -0.0043301400000000 ] - [ -0.0004681500000000, 0.0007000300000000, -0.0001950500000000 ] - [ -0.0002058200000000, -0.0004752000000000, -0.0003595000000000 ] - [ 0.0071836000000000, 0.0021938500000000, -0.0026988900000000 ] - [ -0.0001401200000000, -0.0000365900000000, 0.0000528800000000 ] - [ 0.0017001000000000, -0.0026841800000000, 0.0022338800000000 ] - [ 0.0004220200000000, -0.0002138900000000, 0.0048109500000000 ] - [ -0.0004577500000000, 0.0000350500000000, -0.0001286700000000 ] - [ -0.0025945800000000, 0.0030125800000000, 0.0001208500000000 ] - [ 0.0003487400000000, 0.0005019200000000, 0.0000304200000000 ] - [ 0.0005142700000000, -0.0005062800000000, -0.0001423900000000 ] - [ 0.0041382800000000, 0.0051696000000000, -0.0008050500000000 ] - [ -0.0002437600000000, -0.0001409500000000, 0.0000607500000000 ] - [ -0.0013485300000000, 0.0013567600000000, -0.0012436900000000 ] - [ 0.0034467600000000, 0.0048586000000000, 0.0013195400000000 ] - [ -0.0000898900000000, 0.0001899800000000, 0.0000147500000000 ] - [ 0.0018720700000000, 0.0006580100000000, -0.0013964200000000 ] - [ 0.0003256000000000, 0.0005867500000000, 0.0001210000000000 ] - [ 0.0000073700000000, -0.0006112600000000, 0.0004649200000000 ] - [ -0.0050492700000000, 0.0044771100000000, 0.0041635200000000 ] - [ -0.0009818100000000, -0.0008955600000000, 0.0002662500000000 ] - [ -0.0025351800000000, -0.0023483000000000, -0.0010932400000000 ] - [ 0.0047909500000000, -0.0044160700000000, 0.0018821600000000 ] - [ -0.0005402300000000, 0.0010299800000000, 0.0005280800000000 ] - [ -0.0031858000000000, 0.0001220400000000, -0.0056963100000000 ] - [ 0.0000832000000000, 0.0000996800000000, -0.0010018800000000 ] - [ 0.0005263400000000, 0.0004025300000000, -0.0002594100000000 ] - [ 0.0006514500000000, -0.0021965000000000, 0.0028961500000000 ] - [ 0.0652152200000000, -0.0114715800000000, -0.0040862000000000 ] - [ -0.0000787200000000, 0.0000419400000000, -0.0001728800000000 ] - [ -0.0002800300000000, -0.0000221500000000, -0.0001642000000000 ] - [ -0.0210575100000000, -0.0004202900000000, -0.0005604100000000 ] - [ -0.0004777500000000, 0.0001668000000000, 0.0003878000000000 ] - [ -0.0063903000000000, 0.0053619500000000, -0.0019976900000000 ] - [ -0.0004391900000000, -0.0001896200000000, 0.0003492200000000 ] - [ 0.0027644300000000, 0.0006785900000000, 0.0012179300000000 ] - [ 0.0017517600000000, -0.0003286500000000, 0.0001179600000000 ] - [ 0.0070757000000000, 0.0021302100000000, 0.0021641300000000 ] - [ -0.0032236500000000, -0.0005560700000000, -0.0017846300000000 ] - [ -0.0016651900000000, 0.0001919200000000, -0.0001406700000000 ] - [ -0.0046574700000000, -0.0070685100000000, 0.0125041100000000 ] - [ 0.0000724700000000, 0.0007469500000000, 0.0010551200000000 ] - [ 0.0003607900000000, -0.0007729600000000, -0.0002955800000000 ] - [ 0.0009739400000000, -0.0045965800000000, -0.0042945200000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003047800000000, -0.0005345500000000, -0.0000784100000000 ] - [ -0.0002495600000000, -0.0010087100000000, 0.0009631600000000 ] - [ -0.0029388100000000, 0.0049878100000000, -0.0081907800000000 ] - [ 0.0013133200000000, 0.0025140200000000, 0.0014305800000000 ] - [ -0.0009808600000000, -0.0006462500000000, -0.0000767200000000 ] - [ 0.0001640300000000, -0.0039039000000000, 0.0010189600000000 ] - [ -0.0000925100000000, -0.0003561000000000, 0.0005365200000000 ] - [ 0.0004013000000000, 0.0009748500000000, 0.0001613400000000 ] - [ -0.0007143400000000, 0.0015269600000000, 0.0068804700000000 ] - [ -0.0068987300000000, -0.0047245100000000, 0.0071601000000000 ] - [ -0.0000511600000000, 0.0007524800000000, -0.0000136900000000 ] - [ -0.0001677700000000, 0.0001963400000000, 0.0004809800000000 ] - [ -0.0018134400000000, 0.0105637000000000, -0.0076033100000000 ] - [ 0.0001343400000000, 0.0001476800000000, -0.0002122000000000 ] - [ 0.0118404900000000, 0.0086086400000000, -0.0002865600000000 ] - [ 0.0014080300000000, 0.0131900400000000, -0.0081648000000000 ] - [ -0.0048831800000000, 0.0086953200000000, 0.0019201200000000 ] - [ -0.0007956200000000, -0.0008663300000000, -0.0012605200000000 ] - [ 0.0003961400000000, -0.0016055500000000, -0.0010285600000000 ] - [ 0.0003521700000000, 0.0020956400000000, -0.0037401600000000 ] - [ -0.0000096500000000, 0.0003678900000000, 0.0001438700000000 ] - [ -0.0015679300000000, 0.0063575900000000, 0.0004103100000000 ] - [ -0.0001840400000000, -0.0005829300000000, 0.0001455000000000 ] - [ 0.0000150500000000, 0.0000509700000000, -0.0000526800000000 ] - [ 0.0004970600000000, 0.0058297500000000, -0.0001966300000000 ] - [ -0.0000733400000000, -0.0003473300000000, 0.0005945200000000 ] - [ -0.0001675600000000, -0.0004845900000000, -0.0006683500000000 ] - [ 0.0004003700000000, 0.0004619800000000, 0.0047712200000000 ] - [ -0.0004187800000000, 0.0016989700000000, -0.0014655700000000 ] - [ 0.0001385100000000, 0.0000354900000000, -0.0000352900000000 ] - [ -0.0008749800000000, -0.0023505300000000, -0.0016507400000000 ] - [ -0.0011208200000000, -0.0000756700000000, 0.0042266200000000 ] - [ -0.0001003000000000, 0.0002927200000000, -0.0006652700000000 ] - [ -0.0000577900000000, 0.0011794100000000, 0.0004137000000000 ] - [ 0.0021583900000000, -0.0055084400000000, 0.0017758500000000 ] - [ -0.0010589700000000, -0.0019499700000000, 0.0002322100000000 ] - [ 0.0000291400000000, -0.0001013800000000, -0.0007761800000000 ] - [ -0.0007495000000000, -0.0045625800000000, 0.0030795300000000 ] - [ 0.0018219100000000, -0.0011424000000000, -0.0032566000000000 ] - [ -0.0002458100000000, 0.0003252700000000, 0.0007469100000000 ] - [ -0.0003815200000000, 0.0077083900000000, -0.0084196800000000 ] - [ -0.0003367900000000, 0.0000652800000000, -0.0001274300000000 ] - [ -0.0002615300000000, -0.0008392400000000, -0.0002083200000000 ] - [ 0.0018522100000000, 0.0066967200000000, -0.0011409100000000 ] - [ -0.0003088400000000, -0.0002415900000000, -0.0002470900000000 ] - [ 0.0037174400000000, -0.0056515100000000, 0.0026958800000000 ] - [ 0.0000235400000000, 0.0007654000000000, -0.0014321700000000 ] - [ -0.0002484800000000, 0.0001130800000000, 0.0001424800000000 ] - [ -0.0046142400000000, -0.0072856900000000, -0.0002531100000000 ] - [ 0.0003490500000000, 0.0004683800000000, 0.0000555800000000 ] - [ 0.0004706500000000, -0.0004112200000000, -0.0002608800000000 ] - [ -0.0041035100000000, 0.0040524400000000, 0.0018335600000000 ] - [ -0.0001898300000000, 0.0000385400000000, 0.0000742700000000 ] - [ 0.0017597500000000, -0.0096690600000000, 0.0018595500000000 ] - [ -0.0013379800000000, -0.0059027300000000, -0.0000054300000000 ] - [ -0.0001389600000000, 0.0004549400000000, -0.0000580800000000 ] - [ -0.0023059400000000, -0.0036339800000000, 0.0041013800000000 ] - [ 0.0000730100000000, 0.0004927500000000, 0.0000689700000000 ] - [ 0.0001564600000000, -0.0003537100000000, 0.0003567900000000 ] - [ -0.0024551700000000, 0.0025965900000000, -0.0015612100000000 ] - [ -0.0010405700000000, -0.0014727400000000, 0.0007359300000000 ] - [ 0.0011879100000000, -0.0012585800000000, -0.0018395400000000 ] - [ 0.0000378700000000, 0.0016174500000000, 0.0008299400000000 ] - [ -0.0006737800000000, 0.0011570900000000, 0.0002009900000000 ] - [ -0.0012469300000000, -0.0045708300000000, 0.0001904200000000 ] - [ -0.0002491400000000, 0.0001227900000000, -0.0012358500000000 ] - [ 0.0005747900000000, 0.0014363900000000, -0.0004031600000000 ] - [ 0.0024233000000000, -0.0012762100000000, -0.0045380600000000 ] - [ 0.0114846700000000, -0.0533465100000000, 0.0027179100000000 ] - [ -0.0002023500000000, 0.0001800300000000, -0.0001665400000000 ] - [ -0.0001825900000000, 0.0002157200000000, -0.0001227900000000 ] - [ -0.0001940700000000, -0.0035879700000000, -0.0006205600000000 ] - [ -0.0004347800000000, -0.0000640800000000, 0.0003728900000000 ] - [ -0.0050317700000000, 0.0075560600000000, -0.0024274800000000 ] - [ -0.0004854100000000, -0.0003057000000000, 0.0003339000000000 ] - [ -0.0007223500000000, 0.0102808300000000, 0.0013826900000000 ] - [ 0.0001380600000000, -0.0020985500000000, -0.0000321300000000 ] - [ -0.0015999300000000, 0.0106102300000000, 0.0076679200000000 ] - [ -0.0001657100000000, 0.0065349300000000, -0.0006181100000000 ] - [ -0.0000964900000000, -0.0001222300000000, 0.0009148400000000 ] - [ 0.0060858000000000, -0.0063857400000000, -0.0077233200000000 ] - [ 0.0001563200000000, 0.0005360300000000, 0.0015049000000000 ] - [ 0.0001057600000000, -0.0000299700000000, -0.0010365100000000 ] - [ 0.0032524700000000, 0.0047059900000000, 0.0087681100000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000926300000000, -0.0002269000000000, -0.0003396500000000 ] - [ -0.0014021600000000, 0.0012916800000000, -0.0000947500000000 ] - [ 0.0045940300000000, -0.0052333600000000, 0.0090107200000000 ] - [ 0.0003405200000000, -0.0022280800000000, -0.0005694000000000 ] - [ -0.0006703900000000, 0.0003654200000000, 0.0009475900000000 ] - [ -0.0001309300000000, 0.0043661200000000, -0.0010701600000000 ] - [ 0.0000760700000000, -0.0001629900000000, -0.0006476200000000 ] - [ -0.0004177200000000, -0.0004552300000000, -0.0002707100000000 ] - [ 0.0007670100000000, -0.0019919200000000, -0.0069723600000000 ] - [ 0.0072362300000000, 0.0036284500000000, -0.0067278000000000 ] - [ -0.0002980600000000, 0.0003349600000000, 0.0004402600000000 ] - [ -0.0001825500000000, -0.0012861800000000, -0.0000553700000000 ] - [ 0.0021560000000000, -0.0094407900000000, 0.0081364300000000 ] - [ 0.0002634100000000, 0.0006141900000000, -0.0002058700000000 ] - [ -0.0121030600000000, -0.0093828600000000, -0.0001260000000000 ] - [ -0.0018492300000000, -0.0124915100000000, 0.0077638500000000 ] - [ 0.0051229300000000, -0.0085999600000000, -0.0017599200000000 ] - [ 0.0003038400000000, 0.0016435800000000, 0.0003055200000000 ] - [ -0.0008887100000000, 0.0008332400000000, 0.0000702300000000 ] - [ 0.0001354200000000, -0.0013248700000000, 0.0027695500000000 ] - [ 0.0001211000000000, -0.0009970700000000, -0.0002171300000000 ] - [ 0.0017954900000000, -0.0058471400000000, -0.0000370800000000 ] - [ 0.0000614100000000, 0.0000192900000000, 0.0003256000000000 ] - [ -0.0001378500000000, 0.0005136800000000, 0.0005250300000000 ] - [ -0.0004143200000000, -0.0064087000000000, 0.0006437300000000 ] - [ -0.0004146700000000, -0.0005194400000000, -0.0009254100000000 ] - [ 0.0006566200000000, 0.0013415800000000, 0.0003484400000000 ] - [ 0.0000829100000000, -0.0013165800000000, -0.0050716700000000 ] - [ -0.0000698400000000, -0.0008314000000000, 0.0011399200000000 ] - [ 0.0000457800000000, -0.0000677200000000, -0.0006298900000000 ] - [ 0.0006940100000000, 0.0023753600000000, 0.0009985900000000 ] - [ 0.0009324200000000, 0.0003138100000000, -0.0050891900000000 ] - [ 0.0002843200000000, -0.0002608700000000, 0.0000015100000000 ] - [ 0.0001691400000000, -0.0005515300000000, -0.0004841600000000 ] - [ -0.0022702900000000, 0.0048721600000000, -0.0018360700000000 ] - [ 0.0009429900000000, 0.0025836500000000, -0.0002988900000000 ] - [ -0.0001363400000000, 0.0002418100000000, 0.0010667000000000 ] - [ 0.0008563100000000, 0.0043902400000000, -0.0028041700000000 ] - [ -0.0017177900000000, 0.0012964000000000, 0.0035549700000000 ] - [ 0.0001376700000000, -0.0004662500000000, -0.0004610200000000 ] - [ 0.0011500500000000, -0.0091086900000000, 0.0082186000000000 ] - [ -0.0003557800000000, 0.0011724200000000, -0.0004394500000000 ] - [ -0.0004322700000000, -0.0003974900000000, -0.0003590800000000 ] - [ -0.0011545500000000, -0.0054453600000000, 0.0005770600000000 ] - [ -0.0002220800000000, 0.0001600600000000, 0.0001868100000000 ] - [ -0.0032098000000000, 0.0057456800000000, -0.0028090000000000 ] - [ 0.0004723500000000, -0.0015441500000000, 0.0004454500000000 ] - [ -0.0002834400000000, -0.0000311200000000, -0.0002029500000000 ] - [ 0.0036750400000000, 0.0059697100000000, 0.0001600700000000 ] - [ 0.0004840400000000, 0.0005379700000000, -0.0001483700000000 ] - [ 0.0003621600000000, -0.0005950200000000, 0.0001684600000000 ] - [ 0.0033371800000000, -0.0029427100000000, -0.0019062700000000 ] - [ -0.0001401800000000, -0.0003984200000000, -0.0000205100000000 ] - [ -0.0014116700000000, 0.0100228800000000, -0.0018148100000000 ] - [ 0.0016664800000000, 0.0055777300000000, 0.0000575900000000 ] - [ -0.0001912300000000, -0.0000958300000000, 0.0001111000000000 ] - [ 0.0020205700000000, 0.0024545900000000, -0.0035839100000000 ] - [ 0.0002345200000000, 0.0006874000000000, 0.0004774100000000 ] - [ 0.0001518700000000, -0.0008269100000000, 0.0001891500000000 ] - [ 0.0022478900000000, -0.0011988700000000, 0.0022706400000000 ] - [ -0.0006079500000000, -0.0004378100000000, 0.0000160900000000 ] - [ 0.0004392800000000, 0.0031437500000000, 0.0026060700000000 ] - [ 0.0016053000000000, -0.0034922300000000, -0.0000831800000000 ] - [ -0.0009744100000000, 0.0007523000000000, 0.0005525300000000 ] - [ 0.0006297600000000, 0.0048775400000000, -0.0013781100000000 ] - [ 0.0008464600000000, -0.0004427600000000, 0.0000740000000000 ] - [ 0.0000259500000000, -0.0011192000000000, -0.0007621600000000 ] - [ -0.0030133500000000, 0.0009824700000000, 0.0033787800000000 ] - [ -0.0110367300000000, 0.0530267400000000, -0.0035249500000000 ] - [ -0.0001666600000000, -0.0001330600000000, -0.0001382400000000 ] - [ -0.0001864000000000, -0.0002633100000000, -0.0001817900000000 ] - [ 0.0005563000000000, 0.0037038500000000, 0.0002929700000000 ] - [ -0.0004871600000000, 0.0004027800000000, 0.0003982900000000 ] - [ 0.0058757200000000, -0.0078856400000000, 0.0031692900000000 ] - [ -0.0004358300000000, -0.0000323200000000, 0.0004374300000000 ] - [ 0.0016816400000000, -0.0099665000000000, -0.0006402600000000 ] - [ -0.0001010100000000, 0.0015391900000000, 0.0001736800000000 ] - [ 0.0015561800000000, -0.0100426200000000, -0.0074538700000000 ] - [ 0.0001194800000000, -0.0071100900000000, 0.0007723000000000 ] - [ 0.0001367600000000, 0.0006823700000000, -0.0007723000000000 ] - [ -0.0065382500000000, 0.0048626100000000, 0.0081707400000000 ] - [ 0.0003016900000000, 0.0009111200000000, -0.0010866000000000 ] - [ 0.0003510500000000, -0.0014170500000000, 0.0014568400000000 ] - [ -0.0037433600000000, -0.0032202300000000, -0.0084098900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014746500000000, 0.0006333200000000, 0.0027474400000000 ] - [ -0.0008615100000000, -0.0001545100000000, 0.0043260200000000 ] - [ 0.0031777100000000, -0.0039487800000000, 0.0066590000000000 ] - [ 0.0000105300000000, -0.0002251700000000, -0.0005342100000000 ] - [ -0.0011675000000000, -0.0004749900000000, 0.0032041200000000 ] - [ 0.0037570700000000, -0.0028721300000000, 0.0090492300000000 ] - [ -0.0002825600000000, 0.0003008600000000, 0.0026583200000000 ] - [ -0.0002358100000000, -0.0002004500000000, 0.0023429800000000 ] - [ -0.0004622000000000, 0.0051129900000000, 0.0090257500000000 ] - [ -0.0049647900000000, 0.0015341400000000, 0.0043040300000000 ] - [ 0.0007926200000000, -0.0003049800000000, 0.0025377100000000 ] - [ 0.0009083600000000, -0.0000277000000000, 0.0023249200000000 ] - [ 0.0072853100000000, -0.0158193900000000, 0.0005782400000000 ] - [ 0.0015144700000000, -0.0005952000000000, 0.0028818300000000 ] - [ 0.0091498200000000, -0.0000805800000000, -0.0137936900000000 ] - [ 0.0010146900000000, 0.0018156000000000, -0.0065950100000000 ] - [ -0.0029991800000000, 0.0029878700000000, 0.0092494800000000 ] - [ -0.0007552300000000, 0.0003477200000000, -0.0029391500000000 ] - [ 0.0001173800000000, -0.0010429000000000, -0.0024630300000000 ] - [ 0.0005542000000000, 0.0003115300000000, -0.0054253200000000 ] - [ 0.0002613400000000, -0.0001596200000000, -0.0021051500000000 ] - [ -0.0021228700000000, 0.0022658900000000, 0.0072875200000000 ] - [ 0.0001503600000000, 0.0000029200000000, -0.0023130200000000 ] - [ 0.0002172400000000, -0.0001230100000000, -0.0025164200000000 ] - [ 0.0003514700000000, -0.0015219600000000, 0.0059550200000000 ] - [ -0.0004583400000000, -0.0000522500000000, -0.0022027100000000 ] - [ 0.0000726500000000, 0.0003349200000000, -0.0007994100000000 ] - [ 0.0001070100000000, -0.0003378400000000, -0.0040652700000000 ] - [ 0.0002430200000000, 0.0000891500000000, -0.0041817900000000 ] - [ 0.0001715200000000, 0.0004019600000000, -0.0029541900000000 ] - [ -0.0000386600000000, -0.0007982600000000, 0.0022323800000000 ] - [ 0.0010026400000000, 0.0044452400000000, 0.0009731300000000 ] - [ 0.0003531200000000, -0.0004132500000000, -0.0037295300000000 ] - [ 0.0000483300000000, 0.0005554700000000, -0.0027616700000000 ] - [ -0.0023251000000000, 0.0019524200000000, -0.0008950800000000 ] - [ 0.0009006200000000, 0.0019016800000000, 0.0005020300000000 ] - [ -0.0003993800000000, -0.0007422700000000, -0.0020029800000000 ] - [ -0.0010305600000000, 0.0048049700000000, -0.0021901500000000 ] - [ 0.0005120800000000, -0.0016424600000000, -0.0021563000000000 ] - [ -0.0001567200000000, 0.0007255700000000, -0.0024768300000000 ] - [ 0.0034393700000000, -0.0063249200000000, 0.0221575600000000 ] - [ -0.0004041700000000, 0.0004930300000000, -0.0022488400000000 ] - [ -0.0003333300000000, -0.0002143900000000, -0.0021788000000000 ] - [ 0.0029815300000000, 0.0017037200000000, 0.0003949500000000 ] - [ -0.0007888100000000, -0.0002026900000000, -0.0027113300000000 ] - [ -0.0045801000000000, 0.0050082500000000, 0.0062725100000000 ] - [ -0.0001103800000000, -0.0012937300000000, -0.0054067900000000 ] - [ -0.0007583200000000, 0.0002466800000000, -0.0029351800000000 ] - [ -0.0010067700000000, -0.0034584700000000, 0.0099546500000000 ] - [ 0.0002133500000000, -0.0003814400000000, -0.0034136800000000 ] - [ 0.0002097000000000, 0.0003730400000000, -0.0034884100000000 ] - [ -0.0008178700000000, 0.0036429300000000, 0.0128697100000000 ] - [ -0.0001498600000000, -0.0008229100000000, -0.0028029700000000 ] - [ 0.0002883300000000, -0.0022793500000000, 0.0050854800000000 ] - [ -0.0023537500000000, -0.0008564000000000, 0.0056933200000000 ] - [ -0.0001988200000000, 0.0007256400000000, -0.0026748200000000 ] - [ -0.0013840600000000, -0.0000562400000000, 0.0046898300000000 ] - [ -0.0009597300000000, 0.0002569100000000, -0.0026474400000000 ] - [ -0.0010933600000000, -0.0002854600000000, -0.0027984100000000 ] - [ -0.0044638200000000, -0.0026417200000000, 0.0086960000000000 ] - [ -0.0007741500000000, -0.0004493100000000, -0.0016402800000000 ] - [ -0.0001473300000000, -0.0027927400000000, -0.0007933200000000 ] - [ -0.0001727700000000, 0.0026079600000000, -0.0005002100000000 ] - [ -0.0009026500000000, 0.0004086600000000, -0.0018972900000000 ] - [ 0.0051232200000000, 0.0016693900000000, 0.0079426600000000 ] - [ 0.0007293800000000, -0.0007005500000000, 0.0022002300000000 ] - [ -0.0000051800000000, 0.0002057000000000, 0.0021635800000000 ] - [ -0.0051130700000000, -0.0041753400000000, 0.0060849600000000 ] - [ 0.0041653000000000, 0.0033542900000000, -0.0867387300000000 ] - [ -0.0002006300000000, 0.0000364900000000, 0.0034706500000000 ] - [ -0.0001915100000000, 0.0000077300000000, 0.0033378200000000 ] - [ 0.0005932800000000, 0.0004947900000000, -0.0128936500000000 ] - [ -0.0002845300000000, 0.0001389800000000, 0.0042899400000000 ] - [ 0.0030166900000000, -0.0023167900000000, -0.0085738000000000 ] - [ -0.0004656200000000, -0.0002304300000000, 0.0041496000000000 ] - [ -0.0006519700000000, 0.0007554100000000, -0.0075799300000000 ] - [ 0.0001338300000000, -0.0000722500000000, 0.0067313500000000 ] - [ -0.0020602900000000, 0.0080011900000000, 0.0028648200000000 ] - [ 0.0018473300000000, 0.0003621200000000, -0.0009385200000000 ] - [ -0.0000794700000000, 0.0010412600000000, 0.0056704000000000 ] - [ -0.0114051900000000, -0.0088197200000000, 0.0086930800000000 ] - [ -0.0001800800000000, 0.0013365400000000, 0.0047964100000000 ] - [ 0.0004003300000000, -0.0013508700000000, 0.0050498100000000 ] - [ 0.0030081400000000, 0.0078685000000000, 0.0018648000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010743500000000, -0.0014040800000000, -0.0031656400000000 ] - [ -0.0007876600000000, 0.0004293500000000, -0.0034578600000000 ] - [ -0.0015176300000000, 0.0037111100000000, -0.0057838600000000 ] - [ 0.0016454100000000, 0.0005063300000000, 0.0014029500000000 ] - [ -0.0004865900000000, 0.0001914900000000, -0.0023492800000000 ] - [ -0.0037986700000000, 0.0033738800000000, -0.0091954500000000 ] - [ 0.0002617400000000, -0.0008113200000000, -0.0028001900000000 ] - [ 0.0002137800000000, 0.0007125200000000, -0.0024851100000000 ] - [ 0.0005427100000000, -0.0056677500000000, -0.0091693300000000 ] - [ 0.0053080700000000, -0.0025599200000000, -0.0038936200000000 ] - [ -0.0011336500000000, 0.0013737300000000, -0.0020930100000000 ] - [ -0.0012488500000000, -0.0010386000000000, -0.0018784400000000 ] - [ -0.0068901800000000, 0.0167815400000000, -0.0001018200000000 ] - [ -0.0011140700000000, 0.0013658000000000, -0.0032999300000000 ] - [ -0.0095633000000000, -0.0007503600000000, 0.0132985500000000 ] - [ -0.0013960800000000, -0.0010204800000000, 0.0061191200000000 ] - [ 0.0033517000000000, -0.0028856100000000, -0.0092028600000000 ] - [ 0.0002638700000000, 0.0004240800000000, 0.0020100500000000 ] - [ -0.0006068800000000, 0.0002729400000000, 0.0015327500000000 ] - [ -0.0000774400000000, 0.0004747700000000, 0.0044815000000000 ] - [ -0.0001485200000000, -0.0004639800000000, 0.0020293500000000 ] - [ 0.0025610200000000, -0.0018927600000000, -0.0070864100000000 ] - [ -0.0002801100000000, -0.0005815900000000, 0.0028079800000000 ] - [ -0.0003473700000000, 0.0007008700000000, 0.0030112300000000 ] - [ -0.0005353600000000, 0.0008879500000000, -0.0057506700000000 ] - [ -0.0000307700000000, -0.0008046700000000, 0.0018888700000000 ] - [ 0.0004157200000000, 0.0005328000000000, 0.0004730900000000 ] - [ 0.0003850100000000, -0.0005446200000000, 0.0037394300000000 ] - [ -0.0007262600000000, 0.0007622900000000, 0.0038454700000000 ] - [ 0.0000074700000000, -0.0004443600000000, 0.0022996400000000 ] - [ -0.0001439700000000, 0.0008400000000000, -0.0028993000000000 ] - [ -0.0011850200000000, -0.0043282100000000, -0.0018253900000000 ] - [ -0.0001720000000000, 0.0004560000000000, 0.0030664700000000 ] - [ 0.0000600000000000, 0.0000722400000000, 0.0026814500000000 ] - [ 0.0022098500000000, -0.0025761700000000, 0.0008064900000000 ] - [ -0.0010143300000000, -0.0012835600000000, -0.0005841300000000 ] - [ 0.0002835500000000, 0.0008770200000000, 0.0022770600000000 ] - [ 0.0011331800000000, -0.0049284300000000, 0.0024593000000000 ] - [ -0.0004058700000000, 0.0017753300000000, 0.0024645000000000 ] - [ 0.0000392600000000, -0.0008608800000000, 0.0027554300000000 ] - [ -0.0024732500000000, 0.0044474200000000, -0.0216859200000000 ] - [ -0.0002746500000000, 0.0007181400000000, 0.0016759900000000 ] - [ -0.0003468000000000, -0.0009982200000000, 0.0016063300000000 ] - [ -0.0022983500000000, -0.0005114800000000, -0.0009431300000000 ] - [ 0.0002377800000000, 0.0001327100000000, 0.0026372200000000 ] - [ 0.0051039400000000, -0.0049110100000000, -0.0063079000000000 ] - [ 0.0006189000000000, 0.0005254400000000, 0.0044523900000000 ] - [ 0.0002078100000000, -0.0001767400000000, 0.0028615700000000 ] - [ 0.0001440700000000, 0.0024100000000000, -0.0100641200000000 ] - [ 0.0006221300000000, 0.0013818800000000, 0.0033171300000000 ] - [ 0.0006257100000000, -0.0013733700000000, 0.0033919300000000 ] - [ 0.0000230700000000, -0.0026086600000000, -0.0129808900000000 ] - [ -0.0001912600000000, 0.0004856300000000, 0.0028583600000000 ] - [ 0.0000603900000000, 0.0026027200000000, -0.0050057000000000 ] - [ 0.0026889900000000, 0.0005408800000000, -0.0056219400000000 ] - [ -0.0001427200000000, -0.0003876900000000, 0.0027303400000000 ] - [ 0.0010555800000000, -0.0011211600000000, -0.0041062000000000 ] - [ 0.0012758500000000, 0.0009270200000000, 0.0031974500000000 ] - [ 0.0014100300000000, -0.0008982700000000, 0.0033475500000000 ] - [ 0.0042363300000000, 0.0039622300000000, -0.0079356000000000 ] - [ -0.0008607300000000, -0.0014407400000000, 0.0023895400000000 ] - [ 0.0017771900000000, 0.0047033300000000, 0.0015434200000000 ] - [ 0.0018064800000000, -0.0045022400000000, 0.0012424700000000 ] - [ -0.0007340600000000, 0.0014811300000000, 0.0026467100000000 ] - [ -0.0056470100000000, -0.0013346200000000, -0.0090330700000000 ] - [ -0.0001294400000000, 0.0003855300000000, -0.0033537400000000 ] - [ 0.0006059600000000, 0.0001106300000000, -0.0033186000000000 ] - [ 0.0044633900000000, 0.0038142300000000, -0.0071981300000000 ] - [ -0.0041016100000000, -0.0029000300000000, 0.0858663000000000 ] - [ -0.0001669200000000, 0.0000116000000000, -0.0037779300000000 ] - [ -0.0001754300000000, -0.0000547000000000, -0.0036458400000000 ] - [ -0.0002166900000000, -0.0004151800000000, 0.0125757600000000 ] - [ -0.0006365200000000, 0.0002010500000000, -0.0035173500000000 ] - [ -0.0020762500000000, 0.0019487700000000, 0.0093750800000000 ] - [ -0.0004575600000000, -0.0001106200000000, -0.0033772000000000 ] - [ 0.0015635800000000, -0.0004152700000000, 0.0083609600000000 ] - [ -0.0000999200000000, -0.0004816300000000, -0.0066018800000000 ] - [ 0.0020067500000000, -0.0073996100000000, -0.0027516100000000 ] - [ -0.0018781200000000, -0.0009301100000000, 0.0010533100000000 ] - [ 0.0001189400000000, -0.0004907500000000, -0.0055303100000000 ] - [ 0.0110665800000000, 0.0074551000000000, -0.0083279500000000 ] - [ 0.0006344800000000, 0.0001143400000000, -0.0043914500000000 ] - [ 0.0000626600000000, -0.0000993100000000, -0.0046397600000000 ] - [ -0.0035066700000000, -0.0064730400000000, -0.0014419400000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0048869600000000, 0.0107673000000000, -0.0039415600000000 ] - [ 0.0062304100000000, -0.0011073600000000, 0.0171473300000000 ] - [ 0.0010112900000000, -0.0002822100000000, 0.0001853100000000 ] - [ 0.0006230700000000, 0.0000219300000000, 0.0008149800000000 ] - [ -0.0017297000000000, -0.0060816900000000, -0.0052661500000000 ] - [ -0.0000706600000000, 0.0003218000000000, 0.0001017700000000 ] - [ -0.0030290700000000, 0.0013602800000000, 0.0019665600000000 ] - [ 0.0004689900000000, 0.0003511100000000, -0.0006243900000000 ] - [ 0.0000377800000000, -0.0002738400000000, -0.0000148000000000 ] - [ 0.0005912000000000, -0.0004679000000000, 0.0001461600000000 ] - [ -0.0061263700000000, 0.0005988700000000, -0.0018755900000000 ] - [ 0.0013232200000000, -0.0005017200000000, 0.0009454200000000 ] - [ -0.0001678900000000, 0.0008118100000000, 0.0003679300000000 ] - [ 0.0168369700000000, 0.0072262800000000, 0.0114351800000000 ] - [ -0.0003821600000000, -0.0004638100000000, -0.0000619700000000 ] - [ -0.0000600500000000, 0.0002468000000000, -0.0002733100000000 ] - [ -0.0000143400000000, -0.0000535400000000, -0.0001355300000000 ] - [ 0.0003746000000000, -0.0007360500000000, -0.0006327000000000 ] - [ -0.0005082700000000, -0.0004986000000000, 0.0000505100000000 ] - [ 0.0010151900000000, 0.0001515200000000, -0.0005175100000000 ] - [ -0.0042486600000000, 0.0019929300000000, 0.0057346000000000 ] - [ 0.0000662700000000, 0.0002714200000000, 0.0002155300000000 ] - [ -0.0014407900000000, -0.0009750800000000, 0.0010412000000000 ] - [ 0.0025965900000000, 0.0010415900000000, -0.0010150400000000 ] - [ 0.0000554800000000, -0.0002861100000000, 0.0001126900000000 ] - [ 0.0015119600000000, 0.0010806100000000, 0.0023956700000000 ] - [ 0.0001839100000000, 0.0012038100000000, -0.0007981000000000 ] - [ 0.0002167600000000, 0.0001209100000000, 0.0003748100000000 ] - [ -0.0020893200000000, 0.0027251200000000, -0.0049722200000000 ] - [ 0.0040208600000000, 0.0032499000000000, 0.0015956400000000 ] - [ -0.0001084500000000, 0.0000181300000000, -0.0005105300000000 ] - [ -0.0000692200000000, 0.0000065700000000, -0.0002410400000000 ] - [ -0.0070746500000000, 0.0019853300000000, -0.0048793800000000 ] - [ 0.0032904900000000, -0.0024021100000000, -0.0040169200000000 ] - [ -0.0002510800000000, -0.0001810700000000, -0.0000059700000000 ] - [ 0.0001539000000000, 0.0004647600000000, -0.0001226400000000 ] - [ -0.0012992100000000, -0.0004000600000000, 0.0003485100000000 ] - [ 0.0002227200000000, -0.0002416200000000, -0.0000016600000000 ] - [ -0.0001667600000000, 0.0000342200000000, 0.0005042000000000 ] - [ 0.0026676500000000, -0.0016839500000000, 0.0008256400000000 ] - [ 0.0003533500000000, -0.0008852500000000, -0.0007576200000000 ] - [ -0.0013826900000000, 0.0009254600000000, 0.0000375000000000 ] - [ 0.0022657800000000, 0.0006621000000000, -0.0001437600000000 ] - [ 0.0003621400000000, 0.0004318300000000, -0.0000085000000000 ] - [ -0.0017124200000000, 0.0012193200000000, -0.0006859300000000 ] - [ 0.0005326100000000, -0.0000458600000000, -0.0000447000000000 ] - [ -0.0005771800000000, -0.0005729300000000, -0.0007183600000000 ] - [ 0.0062752900000000, -0.0012926800000000, -0.0011122300000000 ] - [ -0.0004678400000000, -0.0004708600000000, -0.0000830500000000 ] - [ 0.0011117600000000, -0.0036882400000000, -0.0011802300000000 ] - [ -0.0053485600000000, -0.0064122000000000, -0.0008287200000000 ] - [ -0.0003637200000000, 0.0004962200000000, -0.0001346600000000 ] - [ 0.0093428400000000, 0.0030724800000000, -0.0035217300000000 ] - [ 0.0000579400000000, 0.0003266500000000, -0.0001658900000000 ] - [ 0.0002729000000000, -0.0000528500000000, 0.0001087600000000 ] - [ 0.0132506500000000, -0.0027581400000000, 0.0052742500000000 ] - [ -0.0002638000000000, -0.0005739900000000, 0.0003891200000000 ] - [ 0.0052911400000000, -0.0008235600000000, 0.0023994100000000 ] - [ -0.0076217300000000, -0.0017500800000000, -0.0044578700000000 ] - [ 0.0000448700000000, 0.0006505100000000, 0.0000509200000000 ] - [ -0.0022183300000000, -0.0015639800000000, 0.0004830300000000 ] - [ 0.0008182000000000, 0.0009876600000000, 0.0003914800000000 ] - [ 0.0008601000000000, -0.0009282600000000, 0.0002907900000000 ] - [ 0.0036231700000000, 0.0017359300000000, -0.0008099700000000 ] - [ -0.0029049800000000, -0.0001456900000000, -0.0006943000000000 ] - [ 0.0003169900000000, 0.0003290200000000, 0.0003365900000000 ] - [ 0.0002016100000000, 0.0001085600000000, -0.0011363200000000 ] - [ 0.0018863900000000, 0.0002156900000000, -0.0006299900000000 ] - [ 0.0002018000000000, 0.0000032600000000, 0.0000271600000000 ] - [ 0.0066784900000000, -0.0053991800000000, -0.0026877800000000 ] - [ -0.0025118100000000, 0.0011781500000000, 0.0009524800000000 ] - [ 0.0001635600000000, 0.0000478300000000, -0.0001526600000000 ] - [ -0.0672004800000000, -0.0059625300000000, -0.0019898100000000 ] - [ 0.0005292600000000, -0.0001854600000000, 0.0004501300000000 ] - [ 0.0153809900000000, -0.0003766500000000, -0.0003628400000000 ] - [ 0.0003926900000000, 0.0001460500000000, 0.0004505500000000 ] - [ 0.0039686300000000, -0.0019435700000000, -0.0074679900000000 ] - [ 0.0002478500000000, -0.0007734700000000, 0.0008948100000000 ] - [ -0.0002860000000000, -0.0007810900000000, -0.0005008200000000 ] - [ -0.0012101000000000, -0.0040767300000000, 0.0073829200000000 ] - [ -0.0004447700000000, -0.0007274800000000, 0.0002700000000000 ] - [ 0.0136789000000000, 0.0061516600000000, -0.0085132700000000 ] - [ -0.0033897200000000, 0.0034165600000000, 0.0019385100000000 ] - [ 0.0000185800000000, 0.0006694700000000, 0.0002580300000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0053157700000000, -0.0115340600000000, 0.0035239400000000 ] - [ -0.0079042700000000, 0.0013275800000000, -0.0164952600000000 ] - [ 0.0006426400000000, -0.0000035000000000, 0.0006912500000000 ] - [ 0.0010290500000000, 0.0002610100000000, 0.0000646100000000 ] - [ 0.0000372200000000, 0.0057470000000000, 0.0061447300000000 ] - [ 0.0000865100000000, 0.0001947400000000, -0.0002027900000000 ] - [ 0.0030693400000000, -0.0019594800000000, -0.0020440800000000 ] - [ -0.0004872300000000, 0.0001636600000000, 0.0005116500000000 ] - [ -0.0000213000000000, -0.0002407100000000, -0.0000880300000000 ] - [ -0.0002397800000000, -0.0006349900000000, 0.0002729900000000 ] - [ 0.0057190300000000, 0.0004813500000000, 0.0022440900000000 ] - [ -0.0016654500000000, -0.0006005900000000, -0.0005197800000000 ] - [ 0.0005188100000000, 0.0002927800000000, 0.0000520100000000 ] - [ -0.0162719100000000, -0.0063836100000000, -0.0117260600000000 ] - [ -0.0000172700000000, -0.0002939700000000, -0.0003537600000000 ] - [ -0.0003378200000000, 0.0005100600000000, -0.0001428200000000 ] - [ 0.0005469800000000, -0.0000303300000000, 0.0000735500000000 ] - [ -0.0008856800000000, 0.0015320200000000, -0.0003479900000000 ] - [ 0.0000202200000000, -0.0002726300000000, -0.0009938900000000 ] - [ -0.0005238000000000, 0.0006176900000000, -0.0004392200000000 ] - [ 0.0044043200000000, -0.0026069700000000, -0.0057730000000000 ] - [ 0.0000564500000000, 0.0002891800000000, 0.0002581000000000 ] - [ 0.0013212500000000, 0.0004045700000000, -0.0005551300000000 ] - [ -0.0027453900000000, -0.0004360700000000, 0.0014968300000000 ] - [ 0.0000669000000000, -0.0002749100000000, 0.0003595800000000 ] - [ -0.0019915600000000, -0.0019253000000000, -0.0027244300000000 ] - [ 0.0003043200000000, -0.0003410100000000, 0.0004651000000000 ] - [ 0.0002675600000000, -0.0009801200000000, -0.0007026400000000 ] - [ 0.0015958300000000, -0.0018592300000000, 0.0046840600000000 ] - [ -0.0037676300000000, -0.0033054200000000, -0.0022833300000000 ] - [ -0.0000766300000000, 0.0000071700000000, -0.0001603000000000 ] - [ -0.0001163100000000, -0.0000313000000000, -0.0004278400000000 ] - [ 0.0069536500000000, -0.0019097200000000, 0.0041636500000000 ] - [ -0.0033374400000000, 0.0030354300000000, 0.0038530200000000 ] - [ 0.0001412000000000, -0.0004508700000000, -0.0000683500000000 ] - [ -0.0002607500000000, 0.0001702800000000, 0.0000486100000000 ] - [ 0.0011889800000000, 0.0005418500000000, -0.0000599800000000 ] - [ -0.0001201700000000, 0.0000986300000000, 0.0002888600000000 ] - [ 0.0002789900000000, 0.0001094300000000, -0.0002141200000000 ] - [ -0.0027520900000000, 0.0015257800000000, -0.0005236900000000 ] - [ 0.0003445000000000, -0.0003675600000000, 0.0001852000000000 ] - [ 0.0006755900000000, 0.0003265200000000, -0.0006126600000000 ] - [ -0.0029456600000000, -0.0019002100000000, -0.0004242100000000 ] - [ 0.0003419200000000, 0.0008197500000000, -0.0005603900000000 ] - [ 0.0011787700000000, -0.0012889100000000, 0.0006125500000000 ] - [ -0.0000002900000000, 0.0001287300000000, -0.0000170300000000 ] - [ 0.0010668800000000, -0.0001964300000000, -0.0002412100000000 ] - [ -0.0068348200000000, 0.0014307100000000, 0.0011677900000000 ] - [ -0.0003647100000000, -0.0005354700000000, -0.0000122500000000 ] - [ -0.0002968500000000, 0.0047136000000000, 0.0010940200000000 ] - [ 0.0063582300000000, 0.0054317700000000, 0.0007864500000000 ] - [ -0.0004679000000000, 0.0005105400000000, 0.0000404300000000 ] - [ -0.0099889700000000, -0.0037421200000000, 0.0039098300000000 ] - [ 0.0002681700000000, 0.0000368500000000, 0.0002208100000000 ] - [ 0.0000538100000000, -0.0003107000000000, -0.0000544900000000 ] - [ -0.0128433600000000, 0.0029526900000000, -0.0046760600000000 ] - [ -0.0000345600000000, -0.0006132100000000, 0.0001514000000000 ] - [ -0.0049947200000000, 0.0020168500000000, -0.0018531800000000 ] - [ 0.0079031400000000, 0.0005596800000000, 0.0049700700000000 ] - [ -0.0003463100000000, 0.0005373000000000, 0.0004867500000000 ] - [ 0.0005595600000000, -0.0003355300000000, 0.0002814000000000 ] - [ 0.0008306900000000, 0.0009147500000000, 0.0003592300000000 ] - [ 0.0007906400000000, -0.0009746400000000, 0.0004597200000000 ] - [ -0.0052331400000000, 0.0002026500000000, 0.0015463000000000 ] - [ 0.0023052600000000, 0.0004706700000000, -0.0004349600000000 ] - [ 0.0002778600000000, -0.0006388400000000, -0.0014874000000000 ] - [ 0.0004005300000000, 0.0002012100000000, -0.0000261500000000 ] - [ -0.0024784200000000, -0.0005311200000000, -0.0005344700000000 ] - [ 0.0001698000000000, -0.0000503400000000, -0.0003252300000000 ] - [ -0.0070320800000000, 0.0055096300000000, 0.0024047600000000 ] - [ 0.0021176900000000, -0.0012271900000000, -0.0012639300000000 ] - [ 0.0002065800000000, -0.0000002800000000, -0.0001451800000000 ] - [ 0.0659322300000000, 0.0066168700000000, 0.0019764900000000 ] - [ 0.0003906400000000, -0.0001504800000000, 0.0003205600000000 ] - [ -0.0162990300000000, -0.0000769300000000, 0.0011199500000000 ] - [ 0.0005278800000000, 0.0001900000000000, 0.0003205700000000 ] - [ -0.0038921900000000, 0.0013958500000000, 0.0076374600000000 ] - [ -0.0002803900000000, 0.0013327600000000, -0.0007629000000000 ] - [ 0.0002364900000000, 0.0002221500000000, 0.0006392100000000 ] - [ 0.0012312500000000, 0.0046151100000000, -0.0072220400000000 ] - [ -0.0000114700000000, -0.0007251800000000, 0.0001498300000000 ] - [ -0.0132605600000000, -0.0046213600000000, 0.0088131600000000 ] - [ 0.0038681900000000, -0.0048679700000000, -0.0015164600000000 ] - [ -0.0004734500000000, 0.0007824100000000, 0.0001661200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0049908800000000, 0.0123930600000000, -0.0074894100000000 ] - [ 0.0009584200000000, -0.0099593400000000, -0.0038126400000000 ] - [ 0.0007784000000000, 0.0002197100000000, 0.0005595700000000 ] - [ 0.0010388900000000, 0.0005398500000000, 0.0001511200000000 ] - [ -0.0066971200000000, -0.0014228100000000, 0.0122992700000000 ] - [ 0.0002453300000000, -0.0001222200000000, -0.0002106600000000 ] - [ -0.0020544300000000, 0.0081733900000000, -0.0100825300000000 ] - [ 0.0004770200000000, 0.0036782200000000, -0.0005239400000000 ] - [ -0.0000184700000000, -0.0002145200000000, -0.0003960700000000 ] - [ 0.0001466400000000, -0.0015154300000000, -0.0001520600000000 ] - [ 0.0048287600000000, 0.0031769000000000, 0.0096702000000000 ] - [ -0.0005961700000000, 0.0013684200000000, -0.0008684000000000 ] - [ 0.0002826100000000, 0.0004908600000000, 0.0005156100000000 ] - [ 0.0035877600000000, -0.0107370700000000, 0.0069985300000000 ] - [ -0.0000282500000000, -0.0002647300000000, -0.0004575500000000 ] - [ -0.0003280800000000, 0.0005874400000000, -0.0001383800000000 ] - [ 0.0002150400000000, 0.0002369600000000, 0.0002880100000000 ] - [ 0.0004536700000000, -0.0031659000000000, 0.0033996300000000 ] - [ -0.0004679900000000, -0.0018582400000000, -0.0002743800000000 ] - [ 0.0001048800000000, 0.0009990500000000, -0.0000622300000000 ] - [ 0.0032463900000000, 0.0054786000000000, -0.0028810800000000 ] - [ 0.0001101400000000, 0.0004513000000000, 0.0004312400000000 ] - [ 0.0000141700000000, -0.0033543200000000, 0.0013457600000000 ] - [ 0.0014058400000000, -0.0100680700000000, 0.0041025100000000 ] - [ 0.0000190800000000, -0.0001368900000000, 0.0003256700000000 ] - [ -0.0004207500000000, -0.0015264200000000, -0.0048277500000000 ] - [ 0.0002733900000000, -0.0001623600000000, 0.0003692200000000 ] - [ 0.0004790900000000, -0.0001887400000000, -0.0004974700000000 ] - [ -0.0011300200000000, 0.0030027700000000, 0.0005659500000000 ] - [ 0.0024521500000000, -0.0019063600000000, -0.0056864600000000 ] - [ -0.0001593500000000, -0.0000780400000000, -0.0001794900000000 ] - [ -0.0000500300000000, -0.0000992300000000, -0.0004455900000000 ] - [ 0.0000993900000000, 0.0066941300000000, 0.0024015500000000 ] - [ -0.0023819000000000, 0.0072555200000000, -0.0010625100000000 ] - [ -0.0000982700000000, -0.0006234200000000, -0.0000709200000000 ] - [ -0.0000764200000000, -0.0000830500000000, -0.0001189500000000 ] - [ -0.0002492100000000, -0.0003067200000000, 0.0012499800000000 ] - [ -0.0000231300000000, -0.0007012100000000, -0.0003580600000000 ] - [ -0.0001789400000000, 0.0002563600000000, 0.0012623700000000 ] - [ -0.0020889900000000, 0.0024867000000000, -0.0027169800000000 ] - [ 0.0006086100000000, -0.0003651600000000, -0.0005558400000000 ] - [ -0.0001596900000000, -0.0015779800000000, -0.0006115600000000 ] - [ -0.0015676200000000, -0.0037143900000000, -0.0023000300000000 ] - [ 0.0002659200000000, 0.0013033000000000, -0.0005255600000000 ] - [ 0.0001347400000000, -0.0013478000000000, 0.0011558100000000 ] - [ 0.0003386000000000, -0.0000947000000000, -0.0002274100000000 ] - [ 0.0005233200000000, 0.0001554200000000, -0.0001819500000000 ] - [ -0.0029249000000000, 0.0086253500000000, 0.0025707700000000 ] - [ -0.0003849900000000, -0.0005666200000000, 0.0000393600000000 ] - [ -0.0013834600000000, -0.0063849700000000, -0.0005508400000000 ] - [ -0.0051082900000000, 0.0034408500000000, -0.0034490400000000 ] - [ -0.0005029100000000, 0.0005478300000000, -0.0000393400000000 ] - [ 0.0044804000000000, 0.0073148300000000, -0.0018262500000000 ] - [ 0.0002134100000000, -0.0001161400000000, 0.0001383600000000 ] - [ 0.0001403300000000, -0.0003758300000000, 0.0000290900000000 ] - [ -0.0029968700000000, 0.0092838700000000, -0.0027492000000000 ] - [ -0.0002122200000000, -0.0009142500000000, 0.0000817000000000 ] - [ 0.0013035400000000, -0.0032130200000000, 0.0048147800000000 ] - [ 0.0000784200000000, 0.0024354200000000, -0.0020649800000000 ] - [ -0.0002414900000000, 0.0007112300000000, 0.0006173800000000 ] - [ -0.0014262500000000, -0.0031167400000000, -0.0002826500000000 ] - [ 0.0008616400000000, 0.0009149000000000, 0.0005155000000000 ] - [ 0.0006386800000000, -0.0007471300000000, 0.0002188100000000 ] - [ 0.0018057400000000, 0.0103282000000000, -0.0098277800000000 ] - [ -0.0005981200000000, -0.0026545400000000, -0.0009425200000000 ] - [ 0.0008507300000000, 0.0004692400000000, 0.0004199000000000 ] - [ 0.0002208100000000, 0.0022749400000000, -0.0010787900000000 ] - [ -0.0005932400000000, -0.0002651700000000, 0.0007186500000000 ] - [ 0.0001863500000000, -0.0002569200000000, -0.0001860300000000 ] - [ -0.0057158300000000, 0.0077401100000000, 0.0019953700000000 ] - [ 0.0003447800000000, 0.0101064500000000, 0.0004448700000000 ] - [ 0.0001638800000000, -0.0001122300000000, -0.0000952900000000 ] - [ -0.0066809900000000, -0.0534640300000000, 0.0174859700000000 ] - [ 0.0004433900000000, -0.0000622900000000, 0.0003183100000000 ] - [ -0.0003115800000000, -0.0003381400000000, 0.0007585300000000 ] - [ 0.0004826200000000, 0.0003337500000000, 0.0003541400000000 ] - [ -0.0007375700000000, -0.0078648600000000, -0.0020888100000000 ] - [ -0.0004240500000000, 0.0007736300000000, -0.0009219700000000 ] - [ 0.0004151800000000, 0.0018937200000000, -0.0000433100000000 ] - [ -0.0026747400000000, -0.0017364800000000, -0.0052108600000000 ] - [ -0.0003440000000000, -0.0009670300000000, 0.0009307500000000 ] - [ 0.0077868000000000, 0.0001873900000000, -0.0069188900000000 ] - [ 0.0037932500000000, 0.0116357000000000, 0.0067721600000000 ] - [ -0.0002528000000000, 0.0007861900000000, -0.0003240400000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047250800000000, -0.0132154100000000, 0.0072366500000000 ] - [ -0.0025578500000000, 0.0102169000000000, 0.0047463700000000 ] - [ 0.0008748500000000, -0.0005032200000000, 0.0002924400000000 ] - [ 0.0006129000000000, -0.0002612300000000, 0.0007044200000000 ] - [ 0.0051143300000000, 0.0011767700000000, -0.0115168400000000 ] - [ -0.0002262900000000, 0.0006404800000000, 0.0000707900000000 ] - [ 0.0020671100000000, -0.0087070400000000, 0.0098006200000000 ] - [ -0.0004991200000000, -0.0031609900000000, 0.0003752300000000 ] - [ 0.0000391700000000, -0.0003018600000000, 0.0002575700000000 ] - [ 0.0001951500000000, 0.0004480000000000, 0.0005967800000000 ] - [ -0.0052206900000000, -0.0021454900000000, -0.0092032200000000 ] - [ 0.0002557000000000, -0.0024263600000000, 0.0013242200000000 ] - [ 0.0000594400000000, 0.0005844200000000, -0.0000749700000000 ] - [ -0.0032274100000000, 0.0114281100000000, -0.0074306900000000 ] - [ -0.0003709700000000, -0.0005079100000000, 0.0000361800000000 ] - [ -0.0000708800000000, 0.0001834200000000, -0.0002838900000000 ] - [ 0.0003361700000000, -0.0003062900000000, -0.0003599900000000 ] - [ -0.0009578200000000, 0.0039494400000000, -0.0043018400000000 ] - [ -0.0000225000000000, 0.0010930200000000, -0.0006592700000000 ] - [ 0.0003867400000000, -0.0002327900000000, -0.0008763300000000 ] - [ -0.0031389400000000, -0.0061606800000000, 0.0027941600000000 ] - [ 0.0000203800000000, 0.0001265500000000, 0.0000636200000000 ] - [ -0.0001479600000000, 0.0027835100000000, -0.0008432500000000 ] - [ -0.0015205500000000, 0.0105853600000000, -0.0035304200000000 ] - [ 0.0001115500000000, -0.0004423000000000, 0.0001705100000000 ] - [ -0.0000839900000000, 0.0006554700000000, 0.0045244400000000 ] - [ 0.0002143800000000, 0.0010241500000000, -0.0006872100000000 ] - [ 0.0000083400000000, -0.0006704300000000, 0.0001872400000000 ] - [ 0.0006409200000000, -0.0021246600000000, -0.0009023300000000 ] - [ -0.0021779400000000, 0.0015987300000000, 0.0049553400000000 ] - [ -0.0000195500000000, 0.0001221000000000, -0.0004742100000000 ] - [ -0.0001290800000000, 0.0000560500000000, -0.0002055700000000 ] - [ 0.0000324300000000, -0.0066275600000000, -0.0030817700000000 ] - [ 0.0024485600000000, -0.0067118800000000, 0.0008988800000000 ] - [ -0.0000117600000000, 0.0000010800000000, -0.0000023500000000 ] - [ -0.0000340900000000, 0.0007096400000000, 0.0000448100000000 ] - [ 0.0001288500000000, 0.0004288100000000, -0.0009735700000000 ] - [ 0.0001427000000000, 0.0005631600000000, 0.0006462400000000 ] - [ 0.0002962500000000, -0.0001196900000000, -0.0009876400000000 ] - [ 0.0019762300000000, -0.0026156100000000, 0.0030052900000000 ] - [ 0.0000708900000000, -0.0008511600000000, -0.0000176400000000 ] - [ -0.0005137800000000, 0.0027918400000000, 0.0000288800000000 ] - [ 0.0009055800000000, 0.0025318200000000, 0.0017133800000000 ] - [ 0.0004132700000000, -0.0000921500000000, -0.0000465600000000 ] - [ -0.0006949200000000, 0.0012649400000000, -0.0012400600000000 ] - [ 0.0002117300000000, 0.0001629300000000, 0.0001580600000000 ] - [ -0.0000338900000000, -0.0009297300000000, -0.0007545100000000 ] - [ 0.0022551100000000, -0.0083453800000000, -0.0022919300000000 ] - [ -0.0004509700000000, -0.0004344700000000, -0.0001323900000000 ] - [ 0.0022627100000000, 0.0074189900000000, 0.0004203200000000 ] - [ 0.0060404800000000, -0.0043006200000000, 0.0033604200000000 ] - [ -0.0003327200000000, 0.0004534100000000, -0.0000529300000000 ] - [ -0.0050268400000000, -0.0078114900000000, 0.0020798100000000 ] - [ 0.0001279400000000, 0.0004546700000000, -0.0000795200000000 ] - [ 0.0002009100000000, 0.0000399700000000, 0.0000306700000000 ] - [ 0.0026680600000000, -0.0089069300000000, 0.0027950200000000 ] - [ -0.0001069100000000, -0.0002708100000000, 0.0004709700000000 ] - [ -0.0009791300000000, 0.0044028200000000, -0.0043234800000000 ] - [ 0.0002488500000000, -0.0035983100000000, 0.0026255700000000 ] - [ -0.0000756200000000, 0.0004747700000000, -0.0000651000000000 ] - [ -0.0001980200000000, 0.0012108500000000, 0.0010408400000000 ] - [ 0.0007733000000000, 0.0009793800000000, 0.0002353100000000 ] - [ 0.0009970300000000, -0.0011485300000000, 0.0005345500000000 ] - [ -0.0033579000000000, -0.0082312800000000, 0.0101915500000000 ] - [ -0.0000046800000000, 0.0029701400000000, -0.0001965800000000 ] - [ -0.0002490000000000, -0.0007951300000000, -0.0015790100000000 ] - [ 0.0003771600000000, -0.0019676400000000, -0.0000684700000000 ] - [ -0.0000038300000000, -0.0000437200000000, -0.0018732900000000 ] - [ 0.0001807300000000, 0.0002106700000000, -0.0001237500000000 ] - [ 0.0052780700000000, -0.0077026200000000, -0.0022701200000000 ] - [ -0.0006684400000000, -0.0101402400000000, -0.0007258100000000 ] - [ 0.0002036600000000, 0.0001603600000000, -0.0002148800000000 ] - [ 0.0058957800000000, 0.0538493900000000, -0.0166506600000000 ] - [ 0.0004791900000000, -0.0002781300000000, 0.0004494600000000 ] - [ -0.0006121800000000, 0.0000479500000000, 0.0000173800000000 ] - [ 0.0004395700000000, 0.0000052900000000, 0.0004135500000000 ] - [ 0.0007883300000000, 0.0073314900000000, 0.0021823200000000 ] - [ 0.0003819300000000, -0.0002291400000000, 0.0010529100000000 ] - [ -0.0004443800000000, -0.0024492600000000, 0.0001679200000000 ] - [ 0.0027266900000000, 0.0023394100000000, 0.0053418400000000 ] - [ -0.0001180000000000, -0.0004769100000000, -0.0005281000000000 ] - [ -0.0072960400000000, 0.0012036100000000, 0.0073219600000000 ] - [ -0.0033700400000000, -0.0130936500000000, -0.0064675100000000 ] - [ -0.0002094000000000, 0.0006588300000000, 0.0007331700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0023086300000000, -0.0154165800000000, -0.0043454400000000 ] - [ 0.0143004500000000, -0.0060226000000000, 0.0068841700000000 ] - [ 0.0006422100000000, 0.0004609100000000, 0.0037304900000000 ] - [ 0.0010000400000000, 0.0002679900000000, 0.0032670600000000 ] - [ -0.0022596700000000, 0.0091808900000000, 0.0032086600000000 ] - [ 0.0001361600000000, 0.0003552300000000, 0.0033584100000000 ] - [ 0.0055111400000000, -0.0150494200000000, 0.0009353900000000 ] - [ 0.0002855400000000, 0.0014817500000000, -0.0022848500000000 ] - [ -0.0001194800000000, -0.0008323000000000, 0.0034599500000000 ] - [ -0.0009337100000000, -0.0005226800000000, 0.0025699700000000 ] - [ 0.0058157100000000, 0.0087707000000000, 0.0108646200000000 ] - [ -0.0009270900000000, -0.0011212700000000, -0.0005391600000000 ] - [ -0.0011141700000000, 0.0011792000000000, 0.0022744500000000 ] - [ 0.0078782700000000, 0.0108291600000000, -0.0039988500000000 ] - [ -0.0017478300000000, 0.0005735600000000, 0.0030274200000000 ] - [ -0.0013742000000000, -0.0005447500000000, 0.0025870400000000 ] - [ 0.0009422300000000, 0.0000599600000000, -0.0029035500000000 ] - [ -0.0015593900000000, 0.0039236100000000, -0.0029696400000000 ] - [ -0.0000611900000000, 0.0003538300000000, -0.0001868800000000 ] - [ 0.0002712200000000, 0.0014068000000000, -0.0040738100000000 ] - [ 0.0048701400000000, -0.0044425800000000, -0.0016346300000000 ] - [ -0.0001237900000000, 0.0001250200000000, -0.0028977400000000 ] - [ 0.0002166900000000, -0.0005854000000000, 0.0046757700000000 ] - [ -0.0022165000000000, 0.0054018200000000, 0.0069945600000000 ] - [ -0.0001963800000000, 0.0001245700000000, -0.0027961500000000 ] - [ -0.0006189200000000, -0.0028853000000000, -0.0015125600000000 ] - [ 0.0000272700000000, 0.0013400200000000, -0.0026963100000000 ] - [ 0.0006775400000000, -0.0018546800000000, -0.0035796600000000 ] - [ -0.0022277200000000, 0.0031329000000000, -0.0026455500000000 ] - [ 0.0016193400000000, -0.0042785500000000, 0.0055731400000000 ] - [ -0.0001933100000000, -0.0003363200000000, -0.0029880300000000 ] - [ -0.0000096900000000, 0.0001574900000000, -0.0032858200000000 ] - [ -0.0052506000000000, 0.0027136100000000, 0.0070721300000000 ] - [ -0.0040262900000000, -0.0010477100000000, 0.0013528000000000 ] - [ 0.0001326600000000, -0.0007039500000000, -0.0017955900000000 ] - [ -0.0001261900000000, 0.0000210300000000, -0.0019117700000000 ] - [ 0.0007926200000000, 0.0015994400000000, -0.0008613000000000 ] - [ 0.0002361100000000, 0.0000234400000000, -0.0014859600000000 ] - [ 0.0008280600000000, 0.0002524000000000, -0.0020879400000000 ] - [ -0.0017476800000000, -0.0006086000000000, -0.0059048200000000 ] - [ 0.0002202400000000, -0.0012295100000000, -0.0029744400000000 ] - [ -0.0002162700000000, 0.0006493800000000, 0.0005250000000000 ] - [ -0.0037979900000000, -0.0053258400000000, -0.0009273100000000 ] - [ 0.0008989600000000, 0.0005888100000000, -0.0027565700000000 ] - [ -0.0004790200000000, 0.0010742100000000, 0.0024230500000000 ] - [ 0.0009187900000000, -0.0001892500000000, -0.0026312800000000 ] - [ 0.0006267300000000, -0.0005799800000000, -0.0037189200000000 ] - [ -0.0033647500000000, 0.0036533500000000, 0.0104787300000000 ] - [ -0.0002777300000000, 0.0003081300000000, -0.0033247600000000 ] - [ 0.0001475200000000, 0.0052680200000000, 0.0089663100000000 ] - [ -0.0008542600000000, -0.0042711800000000, 0.0122254200000000 ] - [ -0.0002539200000000, -0.0003977900000000, -0.0037558400000000 ] - [ -0.0041231000000000, -0.0007055100000000, 0.0102232200000000 ] - [ 0.0001755400000000, 0.0007561900000000, -0.0025629500000000 ] - [ 0.0002729100000000, -0.0006105700000000, -0.0025610000000000 ] - [ 0.0066878800000000, -0.0041006800000000, 0.0120369700000000 ] - [ 0.0008196800000000, -0.0006861900000000, -0.0024282500000000 ] - [ 0.0006061000000000, 0.0054760700000000, -0.0001968500000000 ] - [ 0.0009496200000000, -0.0035794300000000, 0.0012803000000000 ] - [ 0.0007571100000000, 0.0009199200000000, -0.0030449600000000 ] - [ -0.0015368000000000, -0.0025524800000000, 0.0024745600000000 ] - [ 0.0010352900000000, 0.0013174700000000, -0.0015386600000000 ] - [ 0.0006047800000000, -0.0011735000000000, -0.0016829600000000 ] - [ -0.0032414100000000, -0.0060033600000000, 0.0193319000000000 ] - [ -0.0007170300000000, 0.0004045800000000, 0.0088697400000000 ] - [ 0.0012487800000000, 0.0008597200000000, 0.0013413800000000 ] - [ -0.0002723900000000, 0.0006887100000000, 0.0018632300000000 ] - [ 0.0000270200000000, 0.0012744400000000, 0.0028762200000000 ] - [ 0.0001786100000000, -0.0000360900000000, 0.0037480100000000 ] - [ -0.0025588500000000, 0.0028106400000000, -0.0091391800000000 ] - [ 0.0006505200000000, 0.0009884000000000, -0.0081342100000000 ] - [ 0.0002179600000000, 0.0000740800000000, 0.0036080700000000 ] - [ -0.0023410700000000, 0.0168650400000000, -0.0946032000000000 ] - [ 0.0003954800000000, -0.0001036800000000, 0.0040865400000000 ] - [ -0.0012064400000000, -0.0005260500000000, -0.0116275800000000 ] - [ 0.0003949100000000, 0.0001404600000000, 0.0040154800000000 ] - [ -0.0071914200000000, -0.0021592000000000, 0.0119827400000000 ] - [ 0.0006250400000000, -0.0010051200000000, 0.0047996500000000 ] - [ -0.0005700000000000, -0.0003949600000000, 0.0046123300000000 ] - [ 0.0045399500000000, -0.0050766500000000, 0.0084136000000000 ] - [ -0.0001737700000000, -0.0003991500000000, 0.0064019700000000 ] - [ -0.0087405100000000, -0.0069497800000000, -0.0024744700000000 ] - [ 0.0020595600000000, 0.0060524300000000, -0.0035182800000000 ] - [ -0.0001832000000000, 0.0004032500000000, 0.0045672500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026596300000000, 0.0146533500000000, 0.0038788400000000 ] - [ -0.0161615100000000, 0.0063229700000000, -0.0060603400000000 ] - [ 0.0010092800000000, -0.0007392400000000, -0.0028783000000000 ] - [ 0.0006535300000000, 0.0000141700000000, -0.0024149300000000 ] - [ 0.0006300800000000, -0.0095578400000000, -0.0023029800000000 ] - [ -0.0001149400000000, 0.0001608400000000, -0.0034973200000000 ] - [ -0.0055529800000000, 0.0146465200000000, -0.0010787000000000 ] - [ -0.0003071100000000, -0.0009588100000000, 0.0021614000000000 ] - [ 0.0001378100000000, 0.0003109300000000, -0.0035968800000000 ] - [ 0.0012764400000000, -0.0005412300000000, -0.0021271600000000 ] - [ -0.0061867500000000, -0.0075891200000000, -0.0103461400000000 ] - [ 0.0005830300000000, 0.0000576000000000, 0.0009719400000000 ] - [ 0.0014577400000000, -0.0001201800000000, -0.0018285500000000 ] - [ -0.0074521900000000, -0.0100512800000000, 0.0035019700000000 ] - [ 0.0013507700000000, -0.0013419100000000, -0.0034495100000000 ] - [ 0.0009740900000000, 0.0013158500000000, -0.0030068300000000 ] - [ -0.0003924300000000, -0.0001317200000000, 0.0028323100000000 ] - [ 0.0010598100000000, -0.0031680300000000, 0.0020277700000000 ] - [ -0.0004303500000000, -0.0011295500000000, -0.0007623500000000 ] - [ 0.0002207300000000, -0.0006296300000000, 0.0031330500000000 ] - [ -0.0047871000000000, 0.0038490400000000, 0.0015180400000000 ] - [ 0.0002549200000000, 0.0004557900000000, 0.0033919800000000 ] - [ -0.0003438400000000, 0.0000047600000000, -0.0041939600000000 ] - [ 0.0021009100000000, -0.0048417000000000, -0.0065439100000000 ] - [ 0.0003270200000000, -0.0007024400000000, 0.0032918900000000 ] - [ 0.0001233800000000, 0.0020294900000000, 0.0011633700000000 ] - [ 0.0004600300000000, -0.0004780300000000, 0.0023827100000000 ] - [ -0.0001847200000000, 0.0009903600000000, 0.0032666800000000 ] - [ 0.0017551200000000, -0.0022654500000000, 0.0023131300000000 ] - [ -0.0014134600000000, 0.0041833100000000, -0.0063151500000000 ] - [ 0.0000137800000000, 0.0003800700000000, 0.0023363400000000 ] - [ -0.0001672400000000, -0.0002031700000000, 0.0026347400000000 ] - [ 0.0054201600000000, -0.0026783200000000, -0.0078117500000000 ] - [ 0.0040064000000000, 0.0015983700000000, -0.0016970800000000 ] - [ -0.0002419400000000, 0.0000775100000000, 0.0017244600000000 ] - [ 0.0000154500000000, 0.0005999900000000, 0.0018387700000000 ] - [ -0.0009114900000000, -0.0014633300000000, 0.0011548300000000 ] - [ -0.0001190500000000, -0.0001560000000000, 0.0017580300000000 ] - [ -0.0007150300000000, -0.0001242000000000, 0.0023639800000000 ] - [ 0.0016202700000000, 0.0004450300000000, 0.0061384600000000 ] - [ 0.0004620300000000, 0.0000255100000000, 0.0024063900000000 ] - [ -0.0004605900000000, 0.0005623700000000, -0.0010857500000000 ] - [ 0.0031179600000000, 0.0040942700000000, 0.0003571800000000 ] - [ -0.0002262800000000, 0.0006230200000000, 0.0021881300000000 ] - [ -0.0000736200000000, -0.0011494700000000, -0.0024830400000000 ] - [ -0.0003684900000000, 0.0002613800000000, 0.0025576200000000 ] - [ -0.0001363500000000, -0.0001902800000000, 0.0027834900000000 ] - [ 0.0025544100000000, -0.0031459000000000, -0.0099431600000000 ] - [ -0.0005573200000000, -0.0013078300000000, 0.0032313700000000 ] - [ 0.0006867300000000, -0.0042822100000000, -0.0090599300000000 ] - [ 0.0017573300000000, 0.0033008100000000, -0.0122928400000000 ] - [ -0.0005826500000000, 0.0013971900000000, 0.0036602800000000 ] - [ 0.0034912500000000, 0.0001392000000000, -0.0099218200000000 ] - [ 0.0001656900000000, -0.0004191800000000, 0.0026204200000000 ] - [ 0.0000668600000000, 0.0002703700000000, 0.0026184800000000 ] - [ -0.0066011700000000, 0.0043402200000000, -0.0117536300000000 ] - [ -0.0011362700000000, -0.0004965200000000, 0.0029778800000000 ] - [ -0.0002676300000000, -0.0042636900000000, 0.0007567500000000 ] - [ -0.0006076600000000, 0.0024073500000000, -0.0006859100000000 ] - [ -0.0010719900000000, 0.0002580800000000, 0.0036005200000000 ] - [ -0.0000964500000000, 0.0006606700000000, -0.0017328000000000 ] - [ 0.0006018200000000, 0.0005808300000000, 0.0022912200000000 ] - [ 0.0010270100000000, -0.0007228600000000, 0.0024345800000000 ] - [ 0.0017801400000000, 0.0085283300000000, -0.0193830800000000 ] - [ 0.0001171200000000, -0.0000919600000000, -0.0101235500000000 ] - [ -0.0006363100000000, -0.0011728300000000, -0.0025108100000000 ] - [ 0.0008672800000000, -0.0003707400000000, -0.0030273300000000 ] - [ -0.0006278700000000, -0.0015973700000000, -0.0040326100000000 ] - [ 0.0001878400000000, -0.0000112800000000, -0.0040592600000000 ] - [ 0.0021939500000000, -0.0027856100000000, 0.0088099500000000 ] - [ -0.0010133600000000, -0.0010349600000000, 0.0078068600000000 ] - [ 0.0001497800000000, -0.0000290400000000, -0.0039186900000000 ] - [ 0.0016134700000000, -0.0172761500000000, 0.0955982400000000 ] - [ 0.0005272300000000, -0.0002347100000000, -0.0033187700000000 ] - [ 0.0002741000000000, 0.0002152500000000, 0.0124173000000000 ] - [ 0.0005272600000000, 0.0001997300000000, -0.0032474500000000 ] - [ 0.0071229700000000, 0.0015863300000000, -0.0117828600000000 ] - [ -0.0006649600000000, 0.0015661000000000, -0.0046612400000000 ] - [ 0.0005364600000000, -0.0001533700000000, -0.0044711900000000 ] - [ -0.0044372000000000, 0.0055889100000000, -0.0082548100000000 ] - [ -0.0002912300000000, -0.0010427100000000, -0.0059801100000000 ] - [ 0.0092643600000000, 0.0084183800000000, 0.0029376700000000 ] - [ -0.0015849100000000, -0.0075096600000000, 0.0039682000000000 ] - [ -0.0002789900000000, 0.0010392800000000, -0.0041647400000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028787300000000, -0.0035747500000000, -0.0060639500000000 ] - [ -0.0011636700000000, 0.0007108200000000, 0.0007178200000000 ] - [ 0.0003176500000000, 0.0005089600000000, -0.0010494200000000 ] - [ 0.0021653700000000, 0.0009335300000000, 0.0004539900000000 ] - [ -0.0005441200000000, 0.0002135700000000, 0.0002065000000000 ] - [ 0.0042466000000000, -0.0084442200000000, -0.0132267300000000 ] - [ 0.0002203400000000, -0.0007049700000000, -0.0005188100000000 ] - [ -0.0000696000000000, 0.0000986700000000, 0.0000707700000000 ] - [ -0.0030206700000000, -0.0085577800000000, 0.0121759900000000 ] - [ 0.0003273900000000, -0.0004341900000000, 0.0002210400000000 ] - [ 0.0140207700000000, 0.0234932400000000, -0.0069723200000000 ] - [ 0.0030067900000000, 0.0054744500000000, 0.0064257900000000 ] - [ -0.0000027500000000, 0.0005800100000000, 0.0002973500000000 ] - [ 0.0203354500000000, 0.0013690400000000, 0.0166052600000000 ] - [ -0.0005548700000000, 0.0002233700000000, 0.0003473400000000 ] - [ 0.0000653100000000, 0.0007966600000000, -0.0006324700000000 ] - [ 0.0004162500000000, -0.0000296400000000, 0.0001689700000000 ] - [ -0.0002308100000000, 0.0004630500000000, -0.0001458600000000 ] - [ -0.0002550300000000, -0.0002420200000000, -0.0006294600000000 ] - [ 0.0091326500000000, -0.0012686300000000, 0.0017127000000000 ] - [ -0.0002434300000000, -0.0007008600000000, -0.0002091400000000 ] - [ -0.0003492300000000, 0.0004644700000000, -0.0068358600000000 ] - [ -0.0000528800000000, 0.0001121900000000, 0.0001224300000000 ] - [ 0.0001168200000000, 0.0001670200000000, 0.0010930000000000 ] - [ 0.0007094300000000, -0.0002089400000000, 0.0075039100000000 ] - [ -0.0003845400000000, -0.0005545400000000, -0.0001009900000000 ] - [ -0.0027312200000000, 0.0001128800000000, 0.0001348500000000 ] - [ 0.0082372600000000, 0.0009115300000000, 0.0008757100000000 ] - [ -0.0000449400000000, 0.0002802300000000, -0.0003989000000000 ] - [ -0.0004691800000000, -0.0002149700000000, -0.0000822600000000 ] - [ -0.0016295800000000, -0.0004659900000000, -0.0003008500000000 ] - [ 0.0016338300000000, -0.0008112100000000, -0.0001165000000000 ] - [ 0.0012292000000000, -0.0001961700000000, -0.0009499900000000 ] - [ 0.0004612200000000, -0.0000601600000000, 0.0001327000000000 ] - [ 0.0010318700000000, -0.0016450300000000, 0.0003715800000000 ] - [ -0.0012461100000000, -0.0014319600000000, -0.0003496500000000 ] - [ 0.0041884300000000, -0.0039289700000000, 0.0000934900000000 ] - [ 0.0001688300000000, -0.0000289600000000, 0.0002150000000000 ] - [ -0.0000873700000000, 0.0001054500000000, -0.0000956000000000 ] - [ -0.0115479800000000, -0.0054703500000000, -0.0015197100000000 ] - [ 0.0004672500000000, -0.0006423400000000, -0.0002978100000000 ] - [ 0.0014774500000000, -0.0021122100000000, -0.0020559100000000 ] - [ -0.0059249800000000, -0.0096181400000000, 0.0003306600000000 ] - [ 0.0002031000000000, 0.0005581800000000, -0.0003251600000000 ] - [ -0.0040279100000000, -0.0013636300000000, -0.0022240900000000 ] - [ 0.0001616300000000, 0.0000445900000000, -0.0002944300000000 ] - [ 0.0024250400000000, -0.0012224900000000, 0.0021307300000000 ] - [ 0.0089520600000000, -0.0012275300000000, 0.0009871100000000 ] - [ 0.0001170200000000, -0.0008077500000000, 0.0010636300000000 ] - [ 0.0016406800000000, 0.0021478600000000, 0.0024975000000000 ] - [ -0.0054848000000000, 0.0031064200000000, -0.0073066200000000 ] - [ -0.0010477400000000, 0.0000712000000000, -0.0015806500000000 ] - [ 0.0084023000000000, -0.0017789600000000, -0.0081035500000000 ] - [ 0.0003934000000000, -0.0000429700000000, 0.0001606400000000 ] - [ -0.0000687100000000, -0.0004587000000000, -0.0001524000000000 ] - [ -0.0113282700000000, -0.0048322600000000, -0.0022238700000000 ] - [ -0.0003858800000000, -0.0006541700000000, 0.0004481700000000 ] - [ -0.0025184700000000, 0.0057921200000000, 0.0043891900000000 ] - [ 0.0122936900000000, -0.0074083100000000, 0.0020375100000000 ] - [ 0.0001422900000000, 0.0005072100000000, 0.0000023400000000 ] - [ -0.0004869900000000, -0.0009654100000000, 0.0002332100000000 ] - [ 0.0058280900000000, 0.0062307900000000, -0.0020031100000000 ] - [ -0.0044054600000000, 0.0039760400000000, 0.0025376300000000 ] - [ -0.0014329600000000, 0.0008731200000000, 0.0005231100000000 ] - [ -0.0002561600000000, 0.0001675800000000, -0.0005102800000000 ] - [ 0.0103889200000000, -0.0072401500000000, -0.0045463500000000 ] - [ -0.0038889900000000, 0.0000006300000000, 0.0008708800000000 ] - [ -0.0003541200000000, -0.0001308100000000, -0.0005939900000000 ] - [ -0.0015485000000000, 0.0000991500000000, -0.0000376000000000 ] - [ -0.0072510500000000, -0.0015551100000000, 0.0018822300000000 ] - [ 0.0030112300000000, 0.0001226000000000, -0.0020216900000000 ] - [ 0.0018655100000000, 0.0001374800000000, -0.0002520300000000 ] - [ 0.0034417900000000, -0.0005979700000000, -0.0067845700000000 ] - [ 0.0007284200000000, -0.0005707300000000, -0.0002585000000000 ] - [ -0.0016546400000000, 0.0025239000000000, 0.0048699900000000 ] - [ 0.0001984700000000, -0.0002609600000000, 0.0009374300000000 ] - [ -0.1004123400000000, 0.0036187200000000, -0.0031931300000000 ] - [ -0.0003133800000000, 0.0002313500000000, 0.0000979800000000 ] - [ 0.0002577000000000, -0.0002784000000000, 0.0001417500000000 ] - [ 0.0426351800000000, -0.0003796000000000, -0.0015689000000000 ] - [ 0.0053737900000000, 0.0080262600000000, 0.0155163900000000 ] - [ 0.0002513900000000, 0.0006035600000000, 0.0022136200000000 ] - [ 0.0001018700000000, -0.0005724200000000, -0.0006794300000000 ] - [ -0.0024916900000000, 0.0078374400000000, -0.0066053500000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031559800000000, 0.0029585000000000, 0.0056246300000000 ] - [ -0.0004870700000000, -0.0004351800000000, 0.0001413300000000 ] - [ 0.0013592900000000, -0.0008293000000000, 0.0018544800000000 ] - [ -0.0005152300000000, -0.0006519700000000, 0.0004082700000000 ] - [ -0.0011080800000000, -0.0004948000000000, 0.0006501700000000 ] - [ -0.0042781700000000, 0.0089658800000000, 0.0131890000000000 ] - [ -0.0002410900000000, 0.0001879100000000, 0.0003840700000000 ] - [ 0.0000521600000000, 0.0004238100000000, -0.0002084300000000 ] - [ 0.0030626200000000, 0.0080363600000000, -0.0123135700000000 ] - [ 0.0000145100000000, -0.0006317400000000, 0.0002241300000000 ] - [ -0.0143061800000000, -0.0221657400000000, 0.0072168700000000 ] - [ -0.0033141500000000, -0.0065091900000000, -0.0059126300000000 ] - [ 0.0003439300000000, 0.0004859500000000, 0.0001478800000000 ] - [ -0.0200273400000000, -0.0004860200000000, -0.0171479800000000 ] - [ 0.0001518900000000, -0.0009894100000000, -0.0007637600000000 ] - [ -0.0004649600000000, -0.0000275800000000, 0.0002140000000000 ] - [ 0.0001330900000000, -0.0000414500000000, -0.0002425500000000 ] - [ -0.0002598400000000, 0.0003079200000000, -0.0007955800000000 ] - [ -0.0002363600000000, -0.0005313300000000, -0.0003099100000000 ] - [ -0.0080883400000000, 0.0017713700000000, -0.0022222000000000 ] - [ 0.0003524500000000, 0.0000792100000000, 0.0001365400000000 ] - [ 0.0004687000000000, 0.0001252400000000, 0.0073330200000000 ] - [ -0.0000805600000000, -0.0006959600000000, 0.0003750900000000 ] - [ -0.0002452500000000, 0.0004094700000000, -0.0006033600000000 ] - [ -0.0005653400000000, -0.0003586600000000, -0.0070427400000000 ] - [ -0.0001031000000000, -0.0003094600000000, -0.0002175000000000 ] - [ 0.0032163000000000, 0.0007608400000000, -0.0004639500000000 ] - [ -0.0077598600000000, -0.0018267000000000, -0.0012174600000000 ] - [ -0.0004457600000000, 0.0005863700000000, 0.0000781600000000 ] - [ 0.0006513600000000, 0.0001729300000000, -0.0005710700000000 ] - [ 0.0014508100000000, 0.0005096100000000, -0.0003565700000000 ] - [ -0.0018072800000000, 0.0007662100000000, -0.0005041200000000 ] - [ -0.0010580100000000, 0.0002471700000000, 0.0002920400000000 ] - [ -0.0003514000000000, 0.0006883500000000, -0.0002112300000000 ] - [ -0.0011606900000000, 0.0010432500000000, -0.0004309500000000 ] - [ 0.0011458700000000, 0.0020511300000000, 0.0002730900000000 ] - [ -0.0044761900000000, 0.0038378800000000, 0.0002370100000000 ] - [ -0.0000516400000000, -0.0001045900000000, 0.0000602000000000 ] - [ 0.0002050100000000, 0.0000278900000000, 0.0003733900000000 ] - [ 0.0120121900000000, 0.0054754800000000, 0.0018570000000000 ] - [ 0.0002114500000000, -0.0005687600000000, -0.0002737700000000 ] - [ -0.0021611400000000, 0.0032963800000000, 0.0014644800000000 ] - [ 0.0052576100000000, 0.0083781200000000, -0.0008627700000000 ] - [ 0.0004752700000000, 0.0006529600000000, -0.0002471500000000 ] - [ 0.0034410800000000, 0.0013173900000000, 0.0021414300000000 ] - [ 0.0003905100000000, 0.0000265600000000, 0.0002206600000000 ] - [ -0.0024851300000000, 0.0003565200000000, -0.0026697800000000 ] - [ -0.0092211200000000, 0.0014967300000000, -0.0011481300000000 ] - [ -0.0009534700000000, -0.0001907800000000, -0.0011596300000000 ] - [ -0.0007855500000000, -0.0012036800000000, -0.0026084500000000 ] - [ 0.0063327700000000, -0.0041476500000000, 0.0072325900000000 ] - [ 0.0002138100000000, 0.0009260500000000, 0.0014767900000000 ] - [ -0.0088090800000000, 0.0014048400000000, 0.0082184100000000 ] - [ -0.0000536100000000, 0.0003822000000000, -0.0001038700000000 ] - [ 0.0004101900000000, 0.0001189300000000, 0.0002083000000000 ] - [ 0.0110264200000000, 0.0051651300000000, 0.0023585800000000 ] - [ 0.0000693400000000, -0.0005283400000000, 0.0001011400000000 ] - [ 0.0029183900000000, -0.0045766900000000, -0.0037715400000000 ] - [ -0.0128097700000000, 0.0068835100000000, -0.0020203500000000 ] - [ -0.0004565400000000, 0.0006750400000000, 0.0005460000000000 ] - [ -0.0011506700000000, -0.0009336200000000, 0.0005172000000000 ] - [ -0.0041879700000000, -0.0043240900000000, 0.0027509400000000 ] - [ 0.0060514900000000, -0.0058913500000000, -0.0018133100000000 ] - [ -0.0001993200000000, 0.0010235300000000, 0.0002274900000000 ] - [ -0.0003455700000000, 0.0001494100000000, -0.0006466500000000 ] - [ -0.0097832300000000, 0.0070143400000000, 0.0034127700000000 ] - [ 0.0044578300000000, 0.0003193100000000, -0.0020283200000000 ] - [ -0.0002453700000000, -0.0001868000000000, -0.0005628400000000 ] - [ 0.0019180800000000, -0.0001427900000000, -0.0002714000000000 ] - [ 0.0069135900000000, 0.0016038400000000, -0.0021846200000000 ] - [ -0.0033895600000000, -0.0001650800000000, 0.0017034100000000 ] - [ -0.0015005400000000, -0.0000929100000000, -0.0000536500000000 ] - [ -0.0044195700000000, 0.0009278200000000, 0.0075289300000000 ] - [ 0.0002000600000000, 0.0002356500000000, 0.0010311500000000 ] - [ 0.0007868000000000, -0.0028776700000000, -0.0041068100000000 ] - [ 0.0007207900000000, 0.0005986700000000, -0.0001689100000000 ] - [ 0.1007179900000000, -0.0047663700000000, 0.0029993200000000 ] - [ 0.0002751600000000, 0.0003224500000000, 0.0000409300000000 ] - [ -0.0002944400000000, -0.0002749200000000, -0.0000024200000000 ] - [ -0.0426161700000000, 0.0006584200000000, 0.0017221300000000 ] - [ -0.0058891500000000, -0.0094369500000000, -0.0150185300000000 ] - [ 0.0002133300000000, 0.0008392000000000, -0.0018189500000000 ] - [ 0.0003559100000000, -0.0008669300000000, 0.0011042700000000 ] - [ 0.0020547900000000, -0.0064272900000000, 0.0070001800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028656500000000, 0.0154077800000000, 0.0126743900000000 ] - [ -0.0001429400000000, -0.0010863900000000, -0.0000631900000000 ] - [ -0.0049789500000000, 0.0123077200000000, 0.0159800500000000 ] - [ 0.0017481700000000, 0.0045268700000000, -0.0013058000000000 ] - [ -0.0011076500000000, -0.0008452800000000, 0.0013568000000000 ] - [ -0.0005541400000000, -0.0074667500000000, -0.0024002900000000 ] - [ -0.0001380400000000, -0.0001857400000000, -0.0008008900000000 ] - [ 0.0006392600000000, 0.0014911400000000, -0.0002110900000000 ] - [ -0.0012642000000000, 0.0026621600000000, -0.0106919900000000 ] - [ 0.0000211500000000, -0.0009076200000000, 0.0003725000000000 ] - [ 0.0227022200000000, 0.0145465900000000, 0.0033023700000000 ] - [ 0.0037872500000000, 0.0206765800000000, 0.0110727100000000 ] - [ 0.0001791200000000, 0.0003580800000000, 0.0001762300000000 ] - [ -0.0113148200000000, -0.0053711300000000, -0.0127656400000000 ] - [ -0.0001212400000000, 0.0002032500000000, 0.0004471000000000 ] - [ -0.0001853600000000, 0.0016364100000000, -0.0007336200000000 ] - [ 0.0003382300000000, 0.0002463100000000, -0.0003484200000000 ] - [ -0.0001766400000000, -0.0000722400000000, -0.0001541000000000 ] - [ -0.0004003100000000, -0.0009313500000000, -0.0004993600000000 ] - [ -0.0020690800000000, 0.0099173900000000, -0.0018064000000000 ] - [ 0.0000442000000000, 0.0007594600000000, -0.0003540000000000 ] - [ 0.0006924400000000, 0.0029866000000000, 0.0049084300000000 ] - [ 0.0003370100000000, -0.0019590900000000, 0.0008274400000000 ] - [ -0.0004540100000000, -0.0015463800000000, 0.0011914400000000 ] - [ -0.0000259300000000, 0.0017320500000000, 0.0019141900000000 ] - [ -0.0000662300000000, -0.0004621200000000, -0.0007521200000000 ] - [ -0.0009656100000000, -0.0034343300000000, 0.0024373200000000 ] - [ -0.0009274700000000, 0.0058698800000000, -0.0021169900000000 ] - [ -0.0005427800000000, 0.0007155300000000, 0.0000965200000000 ] - [ 0.0002991200000000, 0.0005756700000000, -0.0015650300000000 ] - [ -0.0008547000000000, -0.0017605100000000, 0.0004156000000000 ] - [ -0.0006041200000000, -0.0004033600000000, -0.0091195300000000 ] - [ -0.0002518100000000, 0.0020065100000000, 0.0008884800000000 ] - [ -0.0000705700000000, 0.0015151200000000, -0.0004727600000000 ] - [ 0.0034858300000000, -0.0097866900000000, -0.0028939700000000 ] - [ -0.0016316600000000, -0.0037377100000000, -0.0005513800000000 ] - [ -0.0046087800000000, -0.0020134800000000, 0.0010110400000000 ] - [ -0.0000384300000000, -0.0002004300000000, -0.0002209400000000 ] - [ 0.0001502700000000, 0.0000709900000000, 0.0003052000000000 ] - [ -0.0073973400000000, 0.0095368000000000, -0.0040457000000000 ] - [ 0.0003619100000000, -0.0003648400000000, -0.0003303500000000 ] - [ 0.0009787500000000, -0.0146941100000000, -0.0017736700000000 ] - [ -0.0034336000000000, -0.0094684100000000, -0.0014730800000000 ] - [ 0.0003716400000000, 0.0010075000000000, -0.0003119900000000 ] - [ -0.0041307600000000, -0.0038475100000000, -0.0057296600000000 ] - [ 0.0002725800000000, -0.0001459900000000, 0.0000533400000000 ] - [ -0.0012881400000000, 0.0098753400000000, 0.0033109300000000 ] - [ -0.0009243900000000, 0.0130479600000000, -0.0056481800000000 ] - [ -0.0002238300000000, -0.0011292400000000, 0.0016067600000000 ] - [ -0.0007071300000000, -0.0063422600000000, -0.0062111200000000 ] - [ 0.0030346600000000, -0.0015509100000000, 0.0058198100000000 ] - [ -0.0007507500000000, 0.0007281500000000, -0.0013955200000000 ] - [ 0.0016247300000000, 0.0127371600000000, 0.0128376200000000 ] - [ 0.0002411300000000, -0.0007959200000000, -0.0003039600000000 ] - [ 0.0002849200000000, -0.0007067400000000, -0.0002557300000000 ] - [ 0.0031661000000000, 0.0105300800000000, 0.0014912100000000 ] - [ -0.0002485000000000, -0.0009352800000000, 0.0005272900000000 ] - [ 0.0070925500000000, -0.0081759200000000, -0.0033327800000000 ] - [ -0.0048971900000000, 0.0119713500000000, -0.0013367800000000 ] - [ -0.0000232800000000, 0.0005876200000000, -0.0002081900000000 ] - [ -0.0013050800000000, -0.0017863000000000, -0.0003883400000000 ] - [ 0.0013469800000000, -0.0025413700000000, 0.0036519000000000 ] - [ -0.0000080400000000, 0.0033148400000000, -0.0001378000000000 ] - [ -0.0004853900000000, 0.0010998900000000, 0.0006692700000000 ] - [ -0.0002953500000000, -0.0002180900000000, -0.0004586900000000 ] - [ -0.0068919800000000, 0.0105307900000000, 0.0029478300000000 ] - [ -0.0014360100000000, 0.0161373900000000, -0.0025978200000000 ] - [ -0.0003086200000000, -0.0003900000000000, -0.0003531600000000 ] - [ 0.0002349300000000, -0.0018448100000000, 0.0000481200000000 ] - [ -0.0020430900000000, 0.0103563700000000, -0.0078957000000000 ] - [ -0.0004695000000000, 0.0067877800000000, 0.0004803200000000 ] - [ 0.0001007000000000, -0.0003762900000000, -0.0009235900000000 ] - [ -0.0021429600000000, -0.0074335200000000, -0.0014686700000000 ] - [ -0.0005960900000000, 0.0003273800000000, 0.0016733000000000 ] - [ 0.0038950200000000, -0.0021928900000000, 0.0057158700000000 ] - [ 0.0009639100000000, 0.0023440100000000, 0.0002695400000000 ] - [ 0.0042381000000000, -0.1026634100000000, -0.0051085700000000 ] - [ -0.0000639500000000, 0.0007137900000000, 0.0003772200000000 ] - [ -0.0000163600000000, 0.0003763700000000, 0.0002917300000000 ] - [ 0.0005185100000000, -0.0117100200000000, 0.0010410700000000 ] - [ 0.0093649200000000, -0.0089541600000000, 0.0101371100000000 ] - [ 0.0003952200000000, 0.0006179400000000, -0.0022392800000000 ] - [ -0.0002321200000000, 0.0004350700000000, 0.0032313100000000 ] - [ 0.0037690300000000, 0.0071628800000000, -0.0118035500000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032364300000000, -0.0161128900000000, -0.0132865400000000 ] - [ -0.0015080600000000, 0.0013655300000000, 0.0009232700000000 ] - [ 0.0066359700000000, -0.0124981200000000, -0.0149803100000000 ] - [ -0.0000921000000000, -0.0042412500000000, 0.0021666800000000 ] - [ -0.0005422300000000, 0.0005687300000000, -0.0005016900000000 ] - [ 0.0005862100000000, 0.0078876200000000, 0.0021581100000000 ] - [ 0.0001205200000000, -0.0003377300000000, 0.0006634800000000 ] - [ -0.0006569200000000, -0.0009686800000000, 0.0000700400000000 ] - [ 0.0013195900000000, -0.0031102600000000, 0.0105242100000000 ] - [ 0.0003201500000000, -0.0001593200000000, 0.0000721700000000 ] - [ -0.0227927800000000, -0.0135292200000000, -0.0028778400000000 ] - [ -0.0042296900000000, -0.0218762700000000, -0.0106641600000000 ] - [ 0.0001618200000000, 0.0007098000000000, 0.0002685200000000 ] - [ 0.0116987600000000, 0.0061506400000000, 0.0123425300000000 ] - [ -0.0002782400000000, -0.0009771500000000, -0.0008659200000000 ] - [ -0.0002164600000000, -0.0008654000000000, 0.0003159400000000 ] - [ 0.0002127500000000, -0.0003141300000000, 0.0002756800000000 ] - [ -0.0003145600000000, 0.0008452700000000, -0.0007856100000000 ] - [ -0.0000907800000000, 0.0001602100000000, -0.0004384800000000 ] - [ 0.0027343400000000, -0.0092107100000000, 0.0009930100000000 ] - [ 0.0000645600000000, -0.0013861000000000, 0.0002793600000000 ] - [ -0.0005650200000000, -0.0024131800000000, -0.0043939500000000 ] - [ -0.0004673500000000, 0.0013813900000000, -0.0003266600000000 ] - [ 0.0003227900000000, 0.0021297700000000, -0.0006965800000000 ] - [ 0.0001680400000000, -0.0023186800000000, -0.0013684700000000 ] - [ -0.0004230200000000, -0.0004031000000000, 0.0004345400000000 ] - [ 0.0014609600000000, 0.0042834100000000, -0.0027673600000000 ] - [ 0.0014028500000000, -0.0060868400000000, 0.0023164000000000 ] - [ 0.0000534000000000, 0.0001502700000000, -0.0004180100000000 ] - [ -0.0001207500000000, -0.0006251600000000, 0.0009144200000000 ] - [ 0.0006768800000000, 0.0017979100000000, -0.0010769600000000 ] - [ 0.0004039000000000, 0.0003602500000000, 0.0084208500000000 ] - [ 0.0004295000000000, -0.0019568000000000, -0.0015474000000000 ] - [ 0.0001802900000000, -0.0008913800000000, 0.0003945400000000 ] - [ -0.0035800800000000, 0.0091340600000000, 0.0027898400000000 ] - [ 0.0015101900000000, 0.0043668800000000, 0.0004684600000000 ] - [ 0.0041556500000000, 0.0013327800000000, -0.0006894100000000 ] - [ 0.0001557100000000, 0.0000665700000000, 0.0004980300000000 ] - [ -0.0000332300000000, 0.0000633900000000, -0.0000291700000000 ] - [ 0.0074403800000000, -0.0095036500000000, 0.0042920400000000 ] - [ 0.0003167400000000, -0.0008479500000000, -0.0002406300000000 ] - [ -0.0016219200000000, 0.0159006900000000, 0.0012094500000000 ] - [ 0.0027414200000000, 0.0083337200000000, 0.0009163900000000 ] - [ 0.0003073200000000, 0.0002043900000000, -0.0002581900000000 ] - [ 0.0036313300000000, 0.0037793300000000, 0.0057038800000000 ] - [ 0.0002773000000000, 0.0002137100000000, -0.0001271600000000 ] - [ 0.0016381300000000, -0.0107130300000000, -0.0041747300000000 ] - [ 0.0007398400000000, -0.0124836400000000, 0.0050672900000000 ] - [ -0.0006117200000000, 0.0001247400000000, -0.0017078500000000 ] - [ 0.0015508900000000, 0.0072871200000000, 0.0061342900000000 ] - [ -0.0021988000000000, 0.0005642900000000, -0.0059338000000000 ] - [ -0.0000865500000000, 0.0002757400000000, 0.0013016900000000 ] - [ -0.0018807100000000, -0.0133436600000000, -0.0133565600000000 ] - [ 0.0001018200000000, 0.0011330000000000, 0.0003567900000000 ] - [ 0.0000559800000000, 0.0003710400000000, 0.0003099200000000 ] - [ -0.0034948800000000, -0.0101960300000000, -0.0014324800000000 ] - [ -0.0000659700000000, -0.0002490700000000, 0.0000214600000000 ] - [ -0.0068364100000000, 0.0093676700000000, 0.0039784700000000 ] - [ 0.0048187900000000, -0.0129577000000000, 0.0016116900000000 ] - [ -0.0002930000000000, 0.0005972400000000, 0.0007576900000000 ] - [ -0.0003303600000000, -0.0001133800000000, 0.0011397900000000 ] - [ 0.0002595200000000, 0.0044068500000000, -0.0029183500000000 ] - [ 0.0016390200000000, -0.0051566200000000, 0.0009037400000000 ] - [ -0.0011506000000000, 0.0008002300000000, 0.0000791700000000 ] - [ -0.0003056300000000, 0.0005355200000000, -0.0006983500000000 ] - [ 0.0073780400000000, -0.0108511600000000, -0.0040852400000000 ] - [ 0.0020972000000000, -0.0158502500000000, 0.0014669200000000 ] - [ -0.0002915900000000, 0.0000740000000000, -0.0008043000000000 ] - [ 0.0001294900000000, 0.0017926300000000, -0.0003612400000000 ] - [ 0.0016700300000000, -0.0102963900000000, 0.0075054600000000 ] - [ 0.0000933400000000, -0.0068580300000000, -0.0008119300000000 ] - [ 0.0002690000000000, 0.0004293800000000, 0.0006082800000000 ] - [ 0.0011952000000000, 0.0077630700000000, 0.0022769600000000 ] - [ 0.0015115800000000, -0.0006757000000000, -0.0008977300000000 ] - [ -0.0047975000000000, 0.0018830200000000, -0.0049494400000000 ] - [ -0.0000383200000000, -0.0019993900000000, 0.0005110700000000 ] - [ -0.0041359600000000, 0.1017401300000000, 0.0059051400000000 ] - [ 0.0000276700000000, -0.0001622900000000, -0.0002364200000000 ] - [ -0.0000199100000000, -0.0009304200000000, -0.0001522200000000 ] - [ -0.0005201600000000, 0.0124371400000000, -0.0008411100000000 ] - [ -0.0097902600000000, 0.0074148900000000, -0.0097691600000000 ] - [ 0.0000657600000000, 0.0008197500000000, 0.0026530100000000 ] - [ 0.0006917500000000, -0.0018733200000000, -0.0028216700000000 ] - [ -0.0042772500000000, -0.0056597400000000, 0.0122923400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0134244100000000, 0.0279482200000000, -0.0000752200000000 ] - [ -0.0011257300000000, 0.0001401000000000, 0.0062093700000000 ] - [ -0.0036548600000000, 0.0085156300000000, 0.0124517600000000 ] - [ 0.0019343900000000, 0.0008061400000000, -0.0013164100000000 ] - [ -0.0005888200000000, 0.0004635200000000, 0.0046013500000000 ] - [ -0.0048522200000000, 0.0045557300000000, 0.0114833000000000 ] - [ 0.0003197200000000, -0.0015188300000000, 0.0040373200000000 ] - [ 0.0003242100000000, 0.0013867200000000, 0.0035220900000000 ] - [ 0.0008837500000000, -0.0086529400000000, 0.0129337700000000 ] - [ -0.0014781900000000, 0.0002031800000000, 0.0036283200000000 ] - [ -0.0170349400000000, -0.0024044800000000, -0.0206506700000000 ] - [ -0.0018080000000000, -0.0018061700000000, -0.0083283900000000 ] - [ -0.0014677500000000, -0.0002639800000000, 0.0034793700000000 ] - [ 0.0095253200000000, -0.0001772200000000, 0.0079447600000000 ] - [ -0.0018283700000000, 0.0014916600000000, 0.0042947800000000 ] - [ -0.0019656800000000, -0.0008694600000000, 0.0037993000000000 ] - [ 0.0013058800000000, -0.0003297000000000, -0.0042261500000000 ] - [ -0.0005104800000000, 0.0011203800000000, -0.0049555700000000 ] - [ -0.0004382800000000, -0.0009575400000000, -0.0045719800000000 ] - [ 0.0030411800000000, -0.0032334000000000, 0.0127797600000000 ] - [ -0.0002193200000000, -0.0005647100000000, -0.0028796500000000 ] - [ -0.0006211600000000, 0.0007918200000000, -0.0065350800000000 ] - [ -0.0003719400000000, 0.0004134700000000, -0.0023499000000000 ] - [ 0.0006575200000000, 0.0003309700000000, -0.0030945400000000 ] - [ 0.0006288800000000, 0.0007875800000000, -0.0056033800000000 ] - [ -0.0002369600000000, -0.0017780700000000, -0.0041949900000000 ] - [ -0.0000772900000000, 0.0009531800000000, 0.0043118100000000 ] - [ -0.0016514400000000, -0.0040812100000000, 0.0047988200000000 ] - [ -0.0003997700000000, 0.0020381500000000, -0.0053093200000000 ] - [ 0.0004515900000000, -0.0006857400000000, -0.0035155800000000 ] - [ 0.0004946300000000, 0.0004322500000000, -0.0009462600000000 ] - [ 0.0000220300000000, -0.0011966300000000, -0.0070343000000000 ] - [ -0.0006555400000000, 0.0005877900000000, -0.0063978100000000 ] - [ 0.0001153800000000, 0.0000208700000000, -0.0037311900000000 ] - [ 0.0039987100000000, -0.0053473100000000, -0.0011032400000000 ] - [ -0.0016219100000000, -0.0020562800000000, 0.0014391200000000 ] - [ 0.0010151400000000, 0.0050067300000000, 0.0153379400000000 ] - [ 0.0003159000000000, 0.0006390400000000, -0.0036738000000000 ] - [ 0.0003355200000000, -0.0006302900000000, -0.0037272500000000 ] - [ 0.0006664800000000, -0.0051460600000000, 0.0195954300000000 ] - [ 0.0004314500000000, -0.0002964600000000, -0.0035618100000000 ] - [ -0.0002398500000000, 0.0033170200000000, 0.0059912300000000 ] - [ 0.0044872500000000, 0.0030367700000000, 0.0076429600000000 ] - [ 0.0004757300000000, 0.0004059400000000, -0.0034521500000000 ] - [ 0.0008937100000000, -0.0005022200000000, 0.0073123000000000 ] - [ 0.0011771800000000, 0.0003481700000000, -0.0040180200000000 ] - [ 0.0054998600000000, 0.0030217300000000, 0.0072396600000000 ] - [ 0.0014283500000000, -0.0033044300000000, 0.0237999100000000 ] - [ 0.0001358100000000, 0.0010150100000000, -0.0041259100000000 ] - [ 0.0025836700000000, -0.0081138400000000, -0.0051669600000000 ] - [ -0.0005781000000000, 0.0013041800000000, -0.0040771600000000 ] - [ -0.0002454500000000, -0.0012195000000000, -0.0050054500000000 ] - [ -0.0032487700000000, 0.0077817600000000, 0.0410632400000000 ] - [ 0.0001661200000000, 0.0007963100000000, -0.0037051600000000 ] - [ 0.0000530800000000, -0.0013147200000000, -0.0035806000000000 ] - [ -0.0038516700000000, -0.0040898500000000, 0.0028440900000000 ] - [ 0.0012865300000000, -0.0003641900000000, -0.0037574400000000 ] - [ 0.0102040800000000, -0.0068995600000000, 0.0129369700000000 ] - [ 0.0027291200000000, -0.0042286500000000, 0.0136786500000000 ] - [ 0.0013059200000000, 0.0002478400000000, -0.0041319100000000 ] - [ -0.0010550000000000, -0.0018782900000000, -0.0024708200000000 ] - [ 0.0023032000000000, 0.0066089100000000, -0.0015232500000000 ] - [ 0.0022338600000000, -0.0056328700000000, -0.0006604700000000 ] - [ -0.0007562000000000, 0.0020280500000000, -0.0029656500000000 ] - [ -0.0005531300000000, 0.0000909000000000, 0.0044325500000000 ] - [ -0.0037084500000000, 0.0013800100000000, -0.0136290300000000 ] - [ 0.0024755700000000, 0.0000204100000000, -0.0121407900000000 ] - [ -0.0002751800000000, 0.0000177400000000, 0.0042449600000000 ] - [ 0.0001315500000000, -0.0001264100000000, 0.0065148400000000 ] - [ 0.0019065700000000, -0.0075127300000000, 0.0026676000000000 ] - [ -0.0020366200000000, -0.0007266200000000, -0.0011356400000000 ] - [ 0.0003917800000000, -0.0008209200000000, 0.0054437600000000 ] - [ -0.0079568100000000, -0.0019482300000000, 0.0122195800000000 ] - [ -0.0003677500000000, 0.0008197700000000, 0.0051083100000000 ] - [ 0.0067987200000000, 0.0050798400000000, 0.0086920700000000 ] - [ 0.0010320700000000, 0.0000626100000000, 0.0049214600000000 ] - [ -0.0034687900000000, -0.0055155900000000, -0.1459141400000000 ] - [ -0.0000471000000000, -0.0000280900000000, 0.0077564200000000 ] - [ -0.0000893600000000, -0.0000557100000000, 0.0074377600000000 ] - [ -0.0016037500000000, -0.0006295000000000, -0.0286850200000000 ] - [ 0.0143161200000000, 0.0090390100000000, 0.0116162700000000 ] - [ 0.0006727200000000, -0.0005158200000000, 0.0066525900000000 ] - [ -0.0002624600000000, 0.0004526300000000, 0.0073805100000000 ] - [ -0.0047787900000000, -0.0080835000000000, 0.0036820500000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0139818300000000, -0.0289932800000000, -0.0003702100000000 ] - [ -0.0005211000000000, 0.0001362100000000, -0.0053764400000000 ] - [ 0.0053171400000000, -0.0087187600000000, -0.0116167400000000 ] - [ -0.0002770700000000, -0.0005228800000000, 0.0021438100000000 ] - [ -0.0010646500000000, -0.0007457000000000, -0.0037498700000000 ] - [ 0.0047796700000000, -0.0040544300000000, -0.0116141200000000 ] - [ -0.0003413400000000, 0.0010097700000000, -0.0041698200000000 ] - [ -0.0003486500000000, -0.0008791600000000, -0.0036528800000000 ] - [ -0.0008029100000000, 0.0080596100000000, -0.0130438300000000 ] - [ 0.0018216600000000, -0.0012686300000000, -0.0031881300000000 ] - [ 0.0167006100000000, 0.0033812800000000, 0.0212305800000000 ] - [ 0.0015096000000000, 0.0007993000000000, 0.0089051400000000 ] - [ 0.0018116200000000, 0.0013301300000000, -0.0030397600000000 ] - [ -0.0091129600000000, 0.0009986400000000, -0.0082832500000000 ] - [ 0.0014314900000000, -0.0022602700000000, -0.0047188600000000 ] - [ 0.0015696300000000, 0.0016429000000000, -0.0042268100000000 ] - [ -0.0007553800000000, 0.0002573400000000, 0.0041588000000000 ] - [ 0.0000199000000000, -0.0003493100000000, 0.0040172100000000 ] - [ -0.0000516200000000, 0.0001871300000000, 0.0036316100000000 ] - [ -0.0020579800000000, 0.0036976800000000, -0.0133163900000000 ] - [ 0.0003325200000000, -0.0000607700000000, 0.0028103000000000 ] - [ 0.0007363800000000, -0.0001932600000000, 0.0070246600000000 ] - [ 0.0002455600000000, -0.0009887700000000, 0.0028318200000000 ] - [ -0.0007906500000000, 0.0002482800000000, 0.0035792400000000 ] - [ -0.0004658400000000, -0.0013615400000000, 0.0061193800000000 ] - [ -0.0002525400000000, 0.0009161500000000, 0.0038813800000000 ] - [ 0.0005548800000000, -0.0000984700000000, -0.0046032900000000 ] - [ 0.0021354400000000, 0.0036368400000000, -0.0046850600000000 ] - [ -0.0000862000000000, -0.0011794900000000, 0.0050076500000000 ] - [ -0.0002752000000000, 0.0006484700000000, 0.0028615000000000 ] - [ -0.0006740800000000, -0.0003832600000000, 0.0003100900000000 ] - [ -0.0001970900000000, 0.0011277500000000, 0.0063987700000000 ] - [ 0.0008455400000000, -0.0005572600000000, 0.0057776400000000 ] - [ -0.0000074600000000, 0.0006066300000000, 0.0036712500000000 ] - [ -0.0041149700000000, 0.0047228000000000, 0.0010564700000000 ] - [ 0.0015057500000000, 0.0026716800000000, -0.0014955800000000 ] - [ -0.0012174000000000, -0.0050089500000000, -0.0150336500000000 ] - [ -0.0001991600000000, -0.0007724900000000, 0.0039573300000000 ] - [ -0.0002191300000000, 0.0007639800000000, 0.0040084700000000 ] - [ -0.0006865900000000, 0.0050698400000000, -0.0192897400000000 ] - [ 0.0002469500000000, -0.0009126700000000, 0.0029949800000000 ] - [ -0.0004250000000000, -0.0021529900000000, -0.0066052400000000 ] - [ -0.0051839400000000, -0.0042077300000000, -0.0082276900000000 ] - [ 0.0002022300000000, 0.0008036700000000, 0.0028848100000000 ] - [ -0.0014689600000000, 0.0004407700000000, -0.0074562100000000 ] - [ -0.0006281300000000, -0.0002757100000000, 0.0039496200000000 ] - [ -0.0053519200000000, -0.0038427300000000, -0.0078342800000000 ] - [ -0.0016145800000000, 0.0038464200000000, -0.0244065500000000 ] - [ -0.0009687100000000, -0.0020147400000000, 0.0040435000000000 ] - [ -0.0017766800000000, 0.0091564400000000, 0.0050902800000000 ] - [ 0.0013975100000000, -0.0022993700000000, 0.0039200300000000 ] - [ -0.0005909300000000, 0.0022163200000000, 0.0049155200000000 ] - [ 0.0033055200000000, -0.0092591700000000, -0.0429748300000000 ] - [ 0.0001756800000000, -0.0004601800000000, 0.0037694300000000 ] - [ 0.0002864100000000, 0.0009762900000000, 0.0036439100000000 ] - [ 0.0035025700000000, 0.0043957400000000, -0.0028322100000000 ] - [ -0.0016062700000000, -0.0008178500000000, 0.0043147300000000 ] - [ -0.0099556200000000, 0.0081263100000000, -0.0124886600000000 ] - [ -0.0027585600000000, 0.0032876900000000, -0.0133174300000000 ] - [ -0.0016248000000000, 0.0009333400000000, 0.0046880700000000 ] - [ -0.0005781300000000, -0.0000081000000000, 0.0032279900000000 ] - [ -0.0006665400000000, -0.0046828000000000, 0.0022789100000000 ] - [ -0.0005955000000000, 0.0037385200000000, 0.0014317200000000 ] - [ -0.0008832200000000, -0.0001414800000000, 0.0037228800000000 ] - [ -0.0000451100000000, 0.0002279300000000, -0.0055989000000000 ] - [ 0.0043269100000000, -0.0017392400000000, 0.0124226000000000 ] - [ -0.0018973400000000, 0.0003010500000000, 0.0109648500000000 ] - [ -0.0003268900000000, -0.0003374300000000, -0.0054114000000000 ] - [ 0.0002330000000000, 0.0000815500000000, -0.0068190700000000 ] - [ -0.0022997100000000, 0.0076065800000000, -0.0029489900000000 ] - [ 0.0016804700000000, 0.0006663800000000, 0.0008559500000000 ] - [ -0.0000209000000000, 0.0008639600000000, -0.0057575400000000 ] - [ 0.0071506600000000, 0.0023233300000000, -0.0115464200000000 ] - [ 0.0012888100000000, -0.0011550800000000, -0.0043525300000000 ] - [ -0.0078055600000000, -0.0054736400000000, -0.0079767000000000 ] - [ -0.0001089900000000, 0.0002739800000000, -0.0041621300000000 ] - [ 0.0027099900000000, 0.0055116400000000, 0.1474550300000000 ] - [ 0.0000098700000000, 0.0005855300000000, -0.0076293700000000 ] - [ 0.0000547300000000, -0.0004995700000000, -0.0073091700000000 ] - [ 0.0016874300000000, 0.0012532400000000, 0.0288485600000000 ] - [ -0.0146260800000000, -0.0103758100000000, -0.0111531800000000 ] - [ -0.0002223700000000, 0.0019708900000000, -0.0062311700000000 ] - [ 0.0007280400000000, -0.0019080700000000, -0.0069826300000000 ] - [ 0.0042643900000000, 0.0094610600000000, -0.0033097800000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001155900000000, 0.0003802800000000, -0.0003221100000000 ] - [ -0.0008038000000000, 0.0000798500000000, 0.0005105100000000 ] - [ 0.0375277000000000, -0.0266332500000000, 0.0045495000000000 ] - [ 0.0047673500000000, 0.0063694600000000, 0.0003947100000000 ] - [ -0.0008262000000000, -0.0001667100000000, 0.0005110400000000 ] - [ 0.0325076200000000, -0.0249494200000000, -0.0002417100000000 ] - [ 0.0000005600000000, -0.0002870900000000, 0.0000246100000000 ] - [ 0.0000182800000000, 0.0003275700000000, 0.0000021000000000 ] - [ -0.0002154900000000, 0.0090747400000000, 0.0000073500000000 ] - [ 0.0004631700000000, -0.0002232900000000, 0.0004598900000000 ] - [ -0.0024247800000000, 0.0022955200000000, -0.0007330400000000 ] - [ -0.0000868800000000, -0.0009250400000000, 0.0002441200000000 ] - [ 0.0001830800000000, 0.0010215000000000, 0.0002180300000000 ] - [ 0.0003904400000000, 0.0005520900000000, -0.0002516300000000 ] - [ -0.0021246900000000, 0.0022912700000000, 0.0022479100000000 ] - [ 0.0001102000000000, -0.0001603800000000, -0.0000998400000000 ] - [ -0.0012012400000000, 0.0002011100000000, -0.0001136300000000 ] - [ -0.0002109700000000, 0.0003661900000000, -0.0005824800000000 ] - [ -0.0002791400000000, -0.0004157500000000, -0.0005799400000000 ] - [ 0.0094475800000000, 0.0004339600000000, -0.0007296300000000 ] - [ 0.0000475800000000, -0.0002864500000000, -0.0000905300000000 ] - [ 0.0083305200000000, 0.0004739500000000, 0.0005349200000000 ] - [ -0.0000947600000000, -0.0002910300000000, 0.0002124600000000 ] - [ -0.0000271200000000, 0.0002688000000000, 0.0001752600000000 ] - [ -0.0110885800000000, 0.0084191700000000, -0.0053590300000000 ] - [ -0.0001960900000000, -0.0005044700000000, -0.0002426100000000 ] - [ -0.0004742500000000, -0.0010113000000000, 0.0009806600000000 ] - [ 0.0087037000000000, -0.0025629000000000, -0.0009476500000000 ] - [ -0.0002763100000000, 0.0004761000000000, -0.0002306500000000 ] - [ 0.0001346700000000, -0.0000324100000000, -0.0003852400000000 ] - [ -0.0009500800000000, -0.0013806500000000, -0.0012691800000000 ] - [ 0.0139005200000000, -0.0029816800000000, -0.0056260000000000 ] - [ 0.0000424200000000, 0.0000562400000000, -0.0004045900000000 ] - [ 0.0000494900000000, 0.0003515900000000, -0.0000816500000000 ] - [ -0.0120012500000000, 0.0096759000000000, -0.0009162600000000 ] - [ 0.0082705900000000, 0.0007443800000000, -0.0000235400000000 ] - [ -0.0012589300000000, 0.0004993900000000, 0.0009990600000000 ] - [ 0.0000178200000000, -0.0003775700000000, 0.0002028000000000 ] - [ -0.0000492400000000, 0.0000112400000000, 0.0000827700000000 ] - [ 0.0095488100000000, -0.0004588800000000, -0.0005173000000000 ] - [ 0.0007162700000000, -0.0011464400000000, 0.0005646500000000 ] - [ -0.0018158400000000, 0.0010748100000000, -0.0005143200000000 ] - [ 0.0010062100000000, -0.0011694700000000, 0.0005630900000000 ] - [ 0.0000606400000000, 0.0005060200000000, -0.0006917900000000 ] - [ -0.0006587000000000, 0.0001964600000000, 0.0001312100000000 ] - [ 0.0008789500000000, 0.0000910300000000, 0.0004580300000000 ] - [ -0.0093589400000000, 0.0079821200000000, 0.0063103200000000 ] - [ 0.0020505800000000, -0.0006424300000000, 0.0005244600000000 ] - [ -0.0014459800000000, 0.0001532600000000, -0.0007420400000000 ] - [ 0.0003619000000000, 0.0000771900000000, -0.0002098800000000 ] - [ 0.0003954900000000, -0.0005431800000000, -0.0000791900000000 ] - [ 0.0102042200000000, -0.0004182400000000, 0.0012729000000000 ] - [ 0.0003746100000000, -0.0010198600000000, -0.0013298300000000 ] - [ -0.0014035400000000, 0.0008648300000000, 0.0006408700000000 ] - [ 0.0008773300000000, -0.0016262300000000, -0.0012457200000000 ] - [ -0.0004227900000000, -0.0000392200000000, 0.0003034300000000 ] - [ -0.0005989900000000, -0.0003203300000000, 0.0002415100000000 ] - [ 0.0009383700000000, 0.0007006400000000, -0.0000590500000000 ] - [ -0.0016729100000000, -0.0002544500000000, 0.0002806100000000 ] - [ 0.0021137300000000, -0.0001037100000000, -0.0013019000000000 ] - [ -0.0008559800000000, -0.0009879300000000, 0.0003334100000000 ] - [ -0.0004391600000000, -0.0004470000000000, 0.0003655000000000 ] - [ 0.0381668200000000, 0.0089337400000000, -0.0000735700000000 ] - [ -0.0008009700000000, 0.0009731900000000, 0.0003141600000000 ] - [ -0.0005017200000000, -0.0000259300000000, -0.0003606700000000 ] - [ 0.0119090200000000, 0.0072524800000000, -0.0102001900000000 ] - [ -0.0027845000000000, -0.0032569800000000, 0.0009761900000000 ] - [ -0.0000813200000000, -0.0001934400000000, -0.0005461000000000 ] - [ 0.0046320700000000, 0.0062686600000000, -0.0113505800000000 ] - [ -0.0000221200000000, -0.0000523000000000, 0.0002496700000000 ] - [ -0.0003165500000000, 0.0001004100000000, -0.0003228000000000 ] - [ -0.0010470000000000, -0.0034789500000000, 0.0031072200000000 ] - [ -0.0006761000000000, 0.0000578300000000, 0.0004457900000000 ] - [ 0.0139429800000000, 0.0074249200000000, 0.0094592100000000 ] - [ -0.0002150000000000, -0.0001478400000000, 0.0004309600000000 ] - [ -0.0031513800000000, -0.0034038900000000, -0.0014422200000000 ] - [ 0.0057022900000000, 0.0092709700000000, 0.0144870800000000 ] - [ 0.0000066400000000, 0.0004394000000000, -0.0003750900000000 ] - [ -0.0001480200000000, 0.0001818100000000, 0.0005602000000000 ] - [ -0.0023091400000000, -0.0037462100000000, -0.0044580500000000 ] - [ -0.1680360400000000, -0.0043553100000000, 0.0000156700000000 ] - [ 0.0002528100000000, 0.0006954400000000, 0.0003163700000000 ] - [ 0.0001837600000000, -0.0006484700000000, 0.0003280500000000 ] - [ 0.0040001400000000, -0.0059393800000000, 0.0000130200000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002949600000000, -0.0011525800000000, -0.0000911000000000 ] - [ -0.0008484300000000, 0.0002006200000000, 0.0003489300000000 ] - [ -0.0363425100000000, 0.0266955900000000, -0.0037134400000000 ] - [ -0.0031399100000000, -0.0060972400000000, 0.0004663000000000 ] - [ -0.0008266900000000, -0.0001138400000000, 0.0003481000000000 ] - [ -0.0320198200000000, 0.0252162800000000, 0.0000844100000000 ] - [ -0.0000188800000000, -0.0002288100000000, -0.0001546600000000 ] - [ -0.0000371100000000, 0.0001884000000000, -0.0001320900000000 ] - [ 0.0003493700000000, -0.0094240300000000, -0.0001108500000000 ] - [ -0.0001422200000000, -0.0008598800000000, -0.0000154900000000 ] - [ 0.0021247100000000, -0.0012855300000000, 0.0012164700000000 ] - [ -0.0002717600000000, -0.0001451700000000, 0.0001848500000000 ] - [ 0.0001692700000000, 0.0000533300000000, 0.0002140200000000 ] - [ -0.0000125000000000, 0.0002098100000000, -0.0001760400000000 ] - [ 0.0017700200000000, -0.0031366300000000, -0.0027264000000000 ] - [ -0.0005232700000000, 0.0009321400000000, -0.0003089100000000 ] - [ 0.0017575100000000, -0.0002699800000000, 0.0000139300000000 ] - [ -0.0002785900000000, 0.0004008500000000, -0.0003556100000000 ] - [ -0.0002087600000000, -0.0003500200000000, -0.0003577400000000 ] - [ -0.0090045000000000, 0.0002495000000000, -0.0002758000000000 ] - [ 0.0000591400000000, -0.0003443100000000, 0.0000183000000000 ] - [ -0.0082305600000000, 0.0000550400000000, -0.0000533500000000 ] - [ -0.0000357300000000, -0.0002857400000000, 0.0002860900000000 ] - [ -0.0001046500000000, 0.0003086500000000, 0.0003237700000000 ] - [ 0.0111346200000000, -0.0088546700000000, 0.0057864400000000 ] - [ -0.0002915700000000, -0.0003545400000000, -0.0000735400000000 ] - [ 0.0009902100000000, 0.0018701700000000, -0.0013008700000000 ] - [ -0.0091981900000000, 0.0021214000000000, 0.0001660700000000 ] - [ -0.0002116500000000, 0.0003840900000000, -0.0000860500000000 ] - [ 0.0000441300000000, -0.0000062300000000, -0.0002713500000000 ] - [ 0.0008045500000000, 0.0014193100000000, 0.0006197500000000 ] - [ -0.0152758900000000, 0.0035517100000000, 0.0055165500000000 ] - [ 0.0001360100000000, -0.0000173200000000, -0.0002512600000000 ] - [ 0.0000558000000000, 0.0002792900000000, 0.0000091600000000 ] - [ 0.0118939500000000, -0.0103310900000000, 0.0008441100000000 ] - [ -0.0084171500000000, -0.0002282400000000, -0.0000527100000000 ] - [ 0.0011356100000000, -0.0003568100000000, -0.0007058800000000 ] - [ 0.0000944700000000, 0.0002458900000000, 0.0000751700000000 ] - [ 0.0001717400000000, 0.0001179800000000, 0.0001924000000000 ] - [ -0.0096423100000000, 0.0003636500000000, 0.0006692300000000 ] - [ -0.0000392400000000, -0.0000703300000000, -0.0011427600000000 ] - [ 0.0011182400000000, 0.0001351700000000, -0.0000428200000000 ] - [ -0.0016777200000000, -0.0000227600000000, -0.0011415300000000 ] - [ 0.0006373200000000, 0.0007174300000000, 0.0001236500000000 ] - [ 0.0001167100000000, -0.0002745100000000, -0.0002010600000000 ] - [ -0.0003268700000000, -0.0000183600000000, -0.0005234500000000 ] - [ 0.0097616700000000, -0.0086169800000000, -0.0071434400000000 ] - [ -0.0026416800000000, 0.0007228000000000, -0.0006125000000000 ] - [ 0.0006025800000000, -0.0011427600000000, 0.0006311100000000 ] - [ 0.0004702400000000, 0.0009252600000000, 0.0001153600000000 ] - [ 0.0004454900000000, -0.0004587800000000, -0.0000129400000000 ] - [ -0.0110185100000000, 0.0014740300000000, -0.0012360400000000 ] - [ -0.0007211200000000, 0.0006852400000000, 0.0013980400000000 ] - [ 0.0017303000000000, -0.0005313400000000, -0.0005998300000000 ] - [ -0.0005215100000000, 0.0013251100000000, 0.0013162700000000 ] - [ 0.0000966100000000, 0.0003830700000000, -0.0002502800000000 ] - [ 0.0003017700000000, -0.0008688900000000, 0.0002951200000000 ] - [ -0.0006290600000000, 0.0004837800000000, 0.0005898800000000 ] - [ 0.0019810400000000, -0.0009277600000000, 0.0002856600000000 ] - [ -0.0024620100000000, 0.0013058500000000, 0.0018733800000000 ] - [ -0.0007798200000000, -0.0009019600000000, 0.0004183500000000 ] - [ 0.0019955400000000, 0.0022252500000000, 0.0003820400000000 ] - [ -0.0336020900000000, -0.0104399600000000, 0.0007786800000000 ] - [ -0.0008335700000000, 0.0009170000000000, 0.0004374600000000 ] - [ -0.0000979100000000, 0.0003456700000000, -0.0008059100000000 ] - [ -0.0112881600000000, -0.0074744100000000, 0.0089051600000000 ] - [ 0.0034171100000000, 0.0035932400000000, -0.0021269400000000 ] - [ -0.0005200900000000, -0.0001224600000000, -0.0006105700000000 ] - [ -0.0041779300000000, -0.0063594400000000, 0.0111246400000000 ] - [ -0.0003422500000000, 0.0000965000000000, -0.0005608500000000 ] - [ -0.0000556600000000, -0.0001485200000000, 0.0000186200000000 ] - [ 0.0013427400000000, 0.0035204400000000, -0.0034029500000000 ] - [ -0.0002444100000000, 0.0002819300000000, 0.0003262700000000 ] - [ -0.0129960000000000, -0.0076564700000000, -0.0085478100000000 ] - [ -0.0007081300000000, -0.0001893500000000, 0.0003332200000000 ] - [ 0.0041074500000000, 0.0037577600000000, 0.0022002800000000 ] - [ -0.0055582700000000, -0.0098852000000000, -0.0144577800000000 ] - [ -0.0000337300000000, 0.0001102500000000, 0.0005166100000000 ] - [ 0.0001039300000000, -0.0007422700000000, -0.0004336400000000 ] - [ 0.0022395000000000, 0.0043001300000000, 0.0045816100000000 ] - [ 0.1668429500000000, 0.0012654300000000, 0.0004562300000000 ] - [ 0.0002056600000000, 0.0007507900000000, 0.0000944900000000 ] - [ 0.0002759100000000, -0.0007986100000000, 0.0000830900000000 ] - [ -0.0044204200000000, 0.0073079600000000, 0.0003969300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007911900000000, 0.0000028400000000, 0.0006214800000000 ] - [ -0.0007590200000000, 0.0000328000000000, 0.0005778300000000 ] - [ -0.0206882500000000, 0.0070827800000000, -0.0033304000000000 ] - [ 0.0157988700000000, 0.0318377000000000, 0.0007464000000000 ] - [ -0.0007870500000000, -0.0001401500000000, 0.0005713600000000 ] - [ -0.0054527000000000, -0.0076964300000000, 0.0006398700000000 ] - [ 0.0000372000000000, -0.0003856800000000, 0.0000794400000000 ] - [ 0.0000739500000000, 0.0004412900000000, 0.0000730500000000 ] - [ 0.0132804800000000, 0.0421668300000000, 0.0047132800000000 ] - [ -0.0002586800000000, -0.0013628900000000, 0.0003848100000000 ] - [ 0.0000354200000000, -0.0053634700000000, -0.0014239500000000 ] - [ -0.0007544600000000, 0.0024338800000000, 0.0002102900000000 ] - [ 0.0003818000000000, 0.0012869700000000, -0.0003702000000000 ] - [ -0.0002343500000000, -0.0002169500000000, 0.0000192700000000 ] - [ -0.0004399000000000, -0.0028580100000000, 0.0025124100000000 ] - [ -0.0006663600000000, 0.0029001700000000, -0.0005628700000000 ] - [ -0.0002656800000000, 0.0016247600000000, -0.0007382000000000 ] - [ -0.0002576800000000, 0.0003628300000000, -0.0006645100000000 ] - [ -0.0002402300000000, -0.0004785000000000, -0.0006604900000000 ] - [ 0.0002057300000000, 0.0105304900000000, -0.0042570200000000 ] - [ 0.0000243800000000, -0.0002901900000000, -0.0000919800000000 ] - [ 0.0006507600000000, 0.0146074400000000, -0.0050225600000000 ] - [ -0.0000874200000000, -0.0003172000000000, 0.0001834900000000 ] - [ -0.0000453000000000, 0.0002475300000000, 0.0001873000000000 ] - [ 0.0009229500000000, 0.0020315600000000, -0.0005791600000000 ] - [ -0.0002207100000000, -0.0006390100000000, -0.0003259000000000 ] - [ -0.0042679100000000, -0.0130484600000000, 0.0062740600000000 ] - [ -0.0026183900000000, 0.0120527400000000, 0.0013615900000000 ] - [ -0.0002648200000000, 0.0006486100000000, -0.0003599500000000 ] - [ 0.0001007400000000, -0.0000902100000000, -0.0004398400000000 ] - [ -0.0056644200000000, -0.0125925300000000, -0.0067531700000000 ] - [ -0.0064402900000000, 0.0129055900000000, 0.0042579200000000 ] - [ 0.0000564700000000, 0.0001179800000000, -0.0004298900000000 ] - [ 0.0000289800000000, 0.0003881600000000, -0.0000805600000000 ] - [ 0.0015288300000000, -0.0045151300000000, 0.0006148600000000 ] - [ -0.0003070500000000, 0.0087578900000000, 0.0001296800000000 ] - [ -0.0008366600000000, -0.0025585400000000, -0.0002937100000000 ] - [ -0.0002038000000000, -0.0006783300000000, 0.0003251500000000 ] - [ -0.0000248400000000, 0.0004600100000000, -0.0000390100000000 ] - [ 0.0006209600000000, 0.0108484800000000, -0.0021960700000000 ] - [ 0.0004577800000000, -0.0011231000000000, 0.0005475000000000 ] - [ 0.0002906500000000, -0.0014444100000000, 0.0012823200000000 ] - [ -0.0000601100000000, 0.0023749900000000, 0.0032490700000000 ] - [ 0.0005833300000000, 0.0015967400000000, 0.0002928400000000 ] - [ 0.0003981800000000, -0.0017434600000000, -0.0004503000000000 ] - [ 0.0000560300000000, -0.0020621400000000, 0.0007151900000000 ] - [ 0.0018399700000000, 0.0016865600000000, -0.0003895300000000 ] - [ -0.0000312200000000, 0.0019653400000000, -0.0005329900000000 ] - [ -0.0012285200000000, -0.0031582200000000, 0.0004861800000000 ] - [ 0.0001206800000000, -0.0000292800000000, -0.0005139000000000 ] - [ 0.0003471400000000, -0.0000438300000000, -0.0001846900000000 ] - [ -0.0001823100000000, 0.0115534600000000, 0.0002262200000000 ] - [ -0.0000964900000000, -0.0005496800000000, -0.0005309600000000 ] - [ 0.0007744900000000, -0.0015394700000000, -0.0015439100000000 ] - [ 0.0004381100000000, 0.0014529500000000, -0.0029335200000000 ] - [ 0.0000827100000000, 0.0009456400000000, -0.0006565100000000 ] - [ 0.0002085600000000, -0.0018143300000000, 0.0004485800000000 ] - [ -0.0002970500000000, -0.0017670700000000, -0.0011168100000000 ] - [ -0.0009376800000000, 0.0014486900000000, 0.0006559700000000 ] - [ 0.0004819500000000, 0.0017226400000000, -0.0000693800000000 ] - [ -0.0008831800000000, -0.0010929400000000, 0.0003053800000000 ] - [ -0.0048504200000000, -0.0182588000000000, -0.0005308100000000 ] - [ 0.0115726100000000, 0.0092938500000000, 0.0004416400000000 ] - [ -0.0008353800000000, 0.0010683500000000, 0.0003012000000000 ] - [ -0.0003337900000000, -0.0002214500000000, -0.0006444400000000 ] - [ 0.0062362800000000, -0.0011293300000000, -0.0087174300000000 ] - [ -0.0044588800000000, 0.0107577000000000, -0.0071430300000000 ] - [ -0.0002048800000000, -0.0000600300000000, -0.0007623100000000 ] - [ 0.0065476200000000, -0.0056126800000000, -0.0082876700000000 ] - [ -0.0002090400000000, -0.0001637700000000, -0.0007631800000000 ] - [ -0.0002380800000000, 0.0006630800000000, -0.0007821500000000 ] - [ -0.0051094700000000, 0.0040068900000000, -0.0072904300000000 ] - [ -0.0004639900000000, -0.0000733000000000, 0.0007092500000000 ] - [ 0.0058647100000000, -0.0007216200000000, 0.0080741800000000 ] - [ -0.0004059200000000, -0.0001033700000000, 0.0007012700000000 ] - [ -0.0037085200000000, 0.0125573800000000, 0.0072200700000000 ] - [ 0.0087522700000000, -0.0084119100000000, 0.0097760800000000 ] - [ -0.0001333900000000, 0.0001668700000000, 0.0013062600000000 ] - [ -0.0001682900000000, 0.0008699700000000, 0.0012480500000000 ] - [ -0.0070959900000000, 0.0067118900000000, 0.0088005600000000 ] - [ -0.0026316400000000, -0.1408946800000000, 0.0000783000000000 ] - [ 0.0002018800000000, 0.0006035100000000, 0.0003999300000000 ] - [ 0.0001545000000000, -0.0005656800000000, 0.0003939800000000 ] - [ 0.0064020500000000, 0.0106004400000000, 0.0003198600000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004052500000000, -0.0007597200000000, -0.0010527400000000 ] - [ -0.0008943400000000, 0.0002522300000000, 0.0002883200000000 ] - [ 0.0221687300000000, -0.0075248100000000, 0.0041994100000000 ] - [ -0.0140150700000000, -0.0311973900000000, 0.0001060300000000 ] - [ -0.0008643600000000, -0.0001405500000000, 0.0002953800000000 ] - [ 0.0053890700000000, 0.0084560600000000, -0.0007541600000000 ] - [ -0.0000547700000000, -0.0001308600000000, -0.0001970200000000 ] - [ -0.0000928700000000, 0.0000733300000000, -0.0001904600000000 ] - [ -0.0134015000000000, -0.0432421100000000, -0.0048636800000000 ] - [ 0.0006037800000000, 0.0002737300000000, 0.0000282000000000 ] - [ -0.0003895600000000, 0.0063565400000000, 0.0019075300000000 ] - [ 0.0004080800000000, -0.0035275600000000, 0.0002086900000000 ] - [ -0.0000428000000000, -0.0001905900000000, 0.0008072400000000 ] - [ 0.0006301600000000, 0.0009814100000000, -0.0004300300000000 ] - [ 0.0000525600000000, 0.0019654200000000, -0.0030129700000000 ] - [ 0.0002698900000000, -0.0021517600000000, 0.0001594700000000 ] - [ 0.0008005500000000, -0.0017057400000000, 0.0006860900000000 ] - [ -0.0002345700000000, 0.0004133300000000, -0.0002849600000000 ] - [ -0.0002540600000000, -0.0002919300000000, -0.0002894500000000 ] - [ 0.0000781700000000, -0.0108769400000000, 0.0028585600000000 ] - [ 0.0000877000000000, -0.0003396400000000, 0.0000199200000000 ] - [ -0.0007614200000000, -0.0154957300000000, 0.0061044700000000 ] - [ -0.0000359300000000, -0.0002449600000000, 0.0002922700000000 ] - [ -0.0000770200000000, 0.0003185300000000, 0.0002883300000000 ] - [ -0.0007912500000000, -0.0026914000000000, 0.0010857300000000 ] - [ -0.0002681300000000, -0.0002250800000000, -0.0000005000000000 ] - [ 0.0047152500000000, 0.0138454500000000, -0.0065468600000000 ] - [ 0.0029445400000000, -0.0128956600000000, -0.0017428500000000 ] - [ -0.0002238400000000, 0.0002128900000000, 0.0000371400000000 ] - [ 0.0000842100000000, 0.0000563300000000, -0.0002205500000000 ] - [ 0.0054181000000000, 0.0125562100000000, 0.0060341800000000 ] - [ 0.0059533900000000, -0.0128801900000000, -0.0048005500000000 ] - [ 0.0001285900000000, -0.0000868300000000, -0.0002328200000000 ] - [ 0.0000826900000000, 0.0002375100000000, 0.0000082300000000 ] - [ -0.0016621400000000, 0.0039758900000000, -0.0006912700000000 ] - [ 0.0005559500000000, -0.0064159400000000, -0.0002823500000000 ] - [ 0.0007295300000000, 0.0026937100000000, 0.0005930900000000 ] - [ 0.0003141400000000, 0.0005366300000000, -0.0000403000000000 ] - [ 0.0001319000000000, -0.0003118800000000, 0.0003326400000000 ] - [ -0.0007349800000000, -0.0110681700000000, 0.0024557100000000 ] - [ 0.0002370200000000, -0.0001272800000000, -0.0011184300000000 ] - [ -0.0009741400000000, 0.0026951000000000, -0.0018440200000000 ] - [ -0.0006340400000000, -0.0035647800000000, -0.0037901200000000 ] - [ 0.0001151300000000, -0.0003685800000000, -0.0008575700000000 ] - [ -0.0009298400000000, 0.0016639000000000, 0.0004026500000000 ] - [ 0.0004752000000000, 0.0021412300000000, -0.0007933500000000 ] - [ -0.0013464600000000, -0.0025464500000000, -0.0005958900000000 ] - [ -0.0005163200000000, -0.0018696800000000, 0.0004473100000000 ] - [ 0.0003975300000000, 0.0021508300000000, -0.0005927400000000 ] - [ 0.0007153500000000, 0.0010369600000000, 0.0004317800000000 ] - [ 0.0004852100000000, -0.0009621900000000, 0.0000959000000000 ] - [ -0.0006543300000000, -0.0105776400000000, -0.0002667700000000 ] - [ -0.0002306400000000, 0.0001793200000000, 0.0005862300000000 ] - [ -0.0004350700000000, 0.0019188000000000, 0.0015907200000000 ] - [ -0.0001059100000000, -0.0017455500000000, 0.0029760600000000 ] - [ -0.0004091100000000, -0.0005975200000000, 0.0007117500000000 ] - [ -0.0005153500000000, 0.0006360800000000, 0.0000871000000000 ] - [ 0.0006078500000000, 0.0029417800000000, 0.0016807400000000 ] - [ 0.0012510700000000, -0.0026307400000000, -0.0001128600000000 ] - [ -0.0008236600000000, -0.0005186100000000, 0.0006650600000000 ] - [ -0.0007660200000000, -0.0008162000000000, 0.0004483700000000 ] - [ 0.0065235500000000, 0.0201591100000000, 0.0012867900000000 ] - [ -0.0098871200000000, -0.0113820700000000, 0.0003124800000000 ] - [ -0.0008140900000000, 0.0008407700000000, 0.0004528500000000 ] - [ -0.0002656400000000, 0.0005449500000000, -0.0005268200000000 ] - [ -0.0055945600000000, 0.0007257300000000, 0.0075500700000000 ] - [ 0.0049976000000000, -0.0104000000000000, 0.0058904300000000 ] - [ -0.0003952700000000, -0.0002510300000000, -0.0003973500000000 ] - [ -0.0061770400000000, 0.0056443100000000, 0.0079833300000000 ] - [ -0.0001570900000000, 0.0002033700000000, 0.0004556000000000 ] - [ -0.0001312300000000, -0.0007156900000000, 0.0004664500000000 ] - [ 0.0055090000000000, -0.0039277000000000, 0.0070480100000000 ] - [ -0.0004582700000000, 0.0004170200000000, 0.0000646200000000 ] - [ -0.0049115700000000, 0.0002940900000000, -0.0072944100000000 ] - [ -0.0005155100000000, -0.0002319000000000, 0.0000644100000000 ] - [ 0.0045730100000000, -0.0121717900000000, -0.0063429400000000 ] - [ -0.0087134500000000, 0.0079572200000000, -0.0096363800000000 ] - [ 0.0001044400000000, 0.0003691200000000, -0.0011781300000000 ] - [ 0.0001282000000000, -0.0014389000000000, -0.0011100700000000 ] - [ 0.0071669800000000, -0.0061105700000000, -0.0087420500000000 ] - [ 0.0030150600000000, 0.1407918200000000, 0.0002124000000000 ] - [ 0.0002566300000000, 0.0008455000000000, 0.0000123800000000 ] - [ 0.0003039200000000, -0.0008849700000000, 0.0000193300000000 ] - [ -0.0068441900000000, -0.0091269200000000, 0.0000939400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011486200000000, 0.0017575900000000, 0.0024416000000000 ] - [ -0.0008868000000000, -0.0000976300000000, 0.0048028200000000 ] - [ 0.0015121900000000, -0.0024383200000000, -0.0325137500000000 ] - [ -0.0003096600000000, -0.0010521300000000, -0.0050421400000000 ] - [ -0.0008744000000000, -0.0000089700000000, 0.0045473700000000 ] - [ -0.0004926700000000, 0.0008110700000000, -0.0136248300000000 ] - [ -0.0000490500000000, -0.0005482300000000, 0.0046146200000000 ] - [ -0.0000015300000000, 0.0005323900000000, 0.0042709600000000 ] - [ -0.0007392800000000, 0.0002204700000000, -0.0285052900000000 ] - [ 0.0006214300000000, 0.0001575000000000, 0.0041936400000000 ] - [ 0.0057157500000000, -0.0123152700000000, 0.0168743300000000 ] - [ 0.0000169000000000, -0.0011420000000000, 0.0003298100000000 ] - [ -0.0005279200000000, -0.0010922000000000, 0.0017811900000000 ] - [ 0.0002939400000000, -0.0008747200000000, 0.0046570200000000 ] - [ -0.0062244800000000, 0.0156326900000000, 0.0221471900000000 ] - [ -0.0002063800000000, 0.0018553800000000, -0.0008992000000000 ] - [ 0.0005487200000000, -0.0009094700000000, -0.0025310600000000 ] - [ -0.0004061300000000, 0.0006192600000000, -0.0051588900000000 ] - [ -0.0003429600000000, -0.0011998200000000, -0.0048630000000000 ] - [ 0.0006268400000000, 0.0020244100000000, 0.0218557000000000 ] - [ -0.0000116800000000, -0.0003549600000000, -0.0026864500000000 ] - [ 0.0002506100000000, -0.0075266600000000, 0.0264782700000000 ] - [ 0.0002218000000000, 0.0002528500000000, -0.0037313300000000 ] - [ 0.0002434000000000, 0.0000534700000000, -0.0040084000000000 ] - [ -0.0002197600000000, -0.0004903500000000, 0.0086755700000000 ] - [ -0.0002372600000000, -0.0016374700000000, -0.0039598000000000 ] - [ 0.0006372700000000, -0.0014629600000000, 0.0051261300000000 ] - [ 0.0018733800000000, 0.0009119500000000, 0.0241780600000000 ] - [ -0.0001182600000000, 0.0016327000000000, -0.0042961900000000 ] - [ 0.0001897300000000, 0.0003190900000000, -0.0039831000000000 ] - [ 0.0005046100000000, 0.0018440000000000, 0.0058353900000000 ] - [ -0.0059118500000000, 0.0034482500000000, 0.0276733400000000 ] - [ 0.0000846900000000, -0.0004747400000000, -0.0043270400000000 ] - [ 0.0000755000000000, 0.0004032000000000, -0.0027166800000000 ] - [ 0.0003701200000000, -0.0001849600000000, 0.0087869800000000 ] - [ 0.0002683100000000, 0.0011863400000000, 0.0108556600000000 ] - [ -0.0006366800000000, -0.0015036500000000, 0.0019913600000000 ] - [ 0.0002153400000000, 0.0003723000000000, -0.0025463500000000 ] - [ -0.0003162600000000, -0.0005629400000000, -0.0037267100000000 ] - [ 0.0000349900000000, 0.0002184100000000, -0.0020751000000000 ] - [ 0.0007233100000000, 0.0010135800000000, -0.0027256300000000 ] - [ -0.0001361100000000, 0.0015958600000000, -0.0008833800000000 ] - [ 0.0005283100000000, 0.0080209900000000, -0.0040768300000000 ] - [ -0.0008996100000000, 0.0017175400000000, -0.0035585500000000 ] - [ 0.0003838500000000, -0.0003483000000000, -0.0019064000000000 ] - [ 0.0010158700000000, 0.0001916600000000, -0.0012247600000000 ] - [ 0.0012628000000000, -0.0003139900000000, 0.0074753100000000 ] - [ -0.0055927500000000, 0.0013203300000000, -0.0085098100000000 ] - [ 0.0001588600000000, 0.0001491900000000, 0.0028918100000000 ] - [ 0.0002526900000000, -0.0006203600000000, -0.0038576100000000 ] - [ 0.0006494700000000, 0.0005889200000000, -0.0049083900000000 ] - [ 0.0015003800000000, -0.0026640100000000, 0.0089834200000000 ] - [ -0.0002954000000000, -0.0022919100000000, -0.0032097900000000 ] - [ 0.0001084400000000, -0.0013478100000000, -0.0003351500000000 ] - [ -0.0016402800000000, -0.0119153100000000, -0.0055854700000000 ] - [ 0.0010321000000000, -0.0005053400000000, -0.0038046400000000 ] - [ -0.0006726400000000, -0.0008500600000000, -0.0006530100000000 ] - [ -0.0008121800000000, -0.0001585700000000, -0.0016036500000000 ] - [ -0.0006054000000000, 0.0000707900000000, -0.0026606400000000 ] - [ 0.0061083700000000, -0.0019346100000000, -0.0106569300000000 ] - [ -0.0008799800000000, -0.0011218900000000, -0.0021646300000000 ] - [ 0.0009884500000000, 0.0012069500000000, 0.0087041600000000 ] - [ 0.0007822200000000, -0.0006421700000000, 0.0121848600000000 ] - [ -0.0008827100000000, 0.0011150800000000, -0.0025627000000000 ] - [ -0.0003802200000000, -0.0009149700000000, 0.0052312700000000 ] - [ -0.0078388700000000, -0.0070509600000000, -0.0013411300000000 ] - [ 0.0020791200000000, -0.0052951400000000, -0.0031008900000000 ] - [ -0.0003201900000000, -0.0007215400000000, 0.0030578100000000 ] - [ -0.0122295100000000, -0.0080100700000000, 0.0083689600000000 ] - [ 0.0006613400000000, -0.0012713400000000, 0.0044436100000000 ] - [ -0.0006768600000000, -0.0012605800000000, 0.0046906600000000 ] - [ 0.0047054000000000, -0.0086086900000000, 0.0014831400000000 ] - [ -0.0003978300000000, 0.0008962300000000, 0.0065755900000000 ] - [ 0.0091632900000000, 0.0069720300000000, -0.0023766100000000 ] - [ -0.0004125300000000, 0.0003573700000000, 0.0047554100000000 ] - [ -0.0012750200000000, 0.0068097000000000, -0.0033997700000000 ] - [ 0.0151955500000000, 0.0096245800000000, 0.0114367900000000 ] - [ -0.0020434600000000, 0.0027334900000000, 0.0065106900000000 ] - [ 0.0008775900000000, 0.0027618200000000, 0.0072566500000000 ] - [ -0.0067661600000000, 0.0122710200000000, 0.0035847300000000 ] - [ -0.0001636100000000, -0.0005486000000000, -0.1180364300000000 ] - [ 0.0001190300000000, 0.0005313100000000, 0.0073371300000000 ] - [ 0.0001060500000000, -0.0005367600000000, 0.0063219900000000 ] - [ -0.0004223200000000, 0.0006087100000000, -0.0090728700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007399300000000, -0.0025260600000000, -0.0028438400000000 ] - [ -0.0007657100000000, 0.0003791500000000, -0.0039294000000000 ] - [ 0.0002737500000000, 0.0020565300000000, 0.0334117100000000 ] - [ 0.0018799700000000, 0.0012273800000000, 0.0058863600000000 ] - [ -0.0007780500000000, -0.0002749700000000, -0.0036735900000000 ] - [ 0.0003937000000000, -0.0001101400000000, 0.0135108800000000 ] - [ 0.0000311000000000, 0.0000322400000000, -0.0047241200000000 ] - [ -0.0000159000000000, -0.0000152600000000, -0.0043812100000000 ] - [ 0.0007924700000000, -0.0006068000000000, 0.0283933300000000 ] - [ -0.0002644800000000, -0.0012464500000000, -0.0037635500000000 ] - [ -0.0060842900000000, 0.0134700700000000, -0.0166666400000000 ] - [ -0.0003566500000000, 0.0000509900000000, 0.0001151400000000 ] - [ 0.0008854100000000, 0.0021716100000000, -0.0013649400000000 ] - [ 0.0001132000000000, 0.0016317700000000, -0.0050746000000000 ] - [ 0.0058261400000000, -0.0162949600000000, -0.0222692500000000 ] - [ -0.0001800700000000, -0.0010848100000000, 0.0004540400000000 ] - [ -0.0000206500000000, 0.0008195100000000, 0.0024822900000000 ] - [ -0.0000864200000000, 0.0001522200000000, 0.0041989100000000 ] - [ -0.0001509700000000, 0.0004233800000000, 0.0039051900000000 ] - [ -0.0001777500000000, -0.0016387300000000, -0.0230816400000000 ] - [ 0.0001228300000000, -0.0002716900000000, 0.0026099300000000 ] - [ -0.0001656500000000, 0.0076908800000000, -0.0258249000000000 ] - [ -0.0003452100000000, -0.0008175200000000, 0.0042011100000000 ] - [ -0.0003646800000000, 0.0005074600000000, 0.0044782000000000 ] - [ 0.0003534200000000, -0.0001179400000000, -0.0081345100000000 ] - [ -0.0002512000000000, 0.0007720200000000, 0.0036284000000000 ] - [ -0.0001138300000000, 0.0023755400000000, -0.0055030300000000 ] - [ -0.0018045000000000, -0.0016150100000000, -0.0248178400000000 ] - [ -0.0003690600000000, -0.0007684300000000, 0.0039650400000000 ] - [ -0.0000042000000000, -0.0003502600000000, 0.0033155400000000 ] - [ -0.0006636200000000, -0.0017809800000000, -0.0064477800000000 ] - [ 0.0053093700000000, -0.0032777500000000, -0.0281254600000000 ] - [ 0.0001014600000000, 0.0005069200000000, 0.0036593900000000 ] - [ 0.0000373300000000, 0.0002266500000000, 0.0026403600000000 ] - [ -0.0004922800000000, -0.0003929800000000, -0.0088671000000000 ] - [ -0.0003414600000000, -0.0004499900000000, -0.0109245100000000 ] - [ 0.0005294400000000, 0.0016558600000000, -0.0017276000000000 ] - [ -0.0001088800000000, -0.0005178900000000, 0.0028397100000000 ] - [ 0.0004175900000000, 0.0007105400000000, 0.0040135600000000 ] - [ 0.0000094300000000, -0.0004331700000000, 0.0014011000000000 ] - [ -0.0000283000000000, -0.0022410200000000, 0.0021555300000000 ] - [ -0.0005618700000000, -0.0003536300000000, 0.0002949900000000 ] - [ -0.0012307300000000, -0.0093430400000000, 0.0035355200000000 ] - [ 0.0015858600000000, -0.0004712900000000, 0.0029878400000000 ] - [ -0.0009242000000000, 0.0002698200000000, 0.0018338500000000 ] - [ -0.0004849600000000, -0.0001101600000000, 0.0011875800000000 ] - [ -0.0007647900000000, -0.0005016100000000, -0.0084936500000000 ] - [ 0.0050754900000000, -0.0012357200000000, 0.0084906000000000 ] - [ -0.0009925200000000, -0.0011548900000000, -0.0029455600000000 ] - [ 0.0005790900000000, 0.0016241000000000, 0.0037564100000000 ] - [ 0.0001788900000000, -0.0015902900000000, 0.0048133500000000 ] - [ -0.0020264000000000, 0.0036527500000000, -0.0075208800000000 ] - [ -0.0000346600000000, 0.0019417300000000, 0.0032572200000000 ] - [ 0.0002197600000000, 0.0017010900000000, 0.0004156200000000 ] - [ 0.0019496200000000, 0.0114516500000000, 0.0055935100000000 ] - [ -0.0013661300000000, 0.0008736400000000, 0.0038509000000000 ] - [ 0.0003502300000000, -0.0003331500000000, 0.0012176800000000 ] - [ 0.0011168500000000, 0.0013418500000000, 0.0021238100000000 ] - [ 0.0009035200000000, -0.0012590900000000, 0.0031950100000000 ] - [ -0.0064055900000000, 0.0031075400000000, 0.0111360400000000 ] - [ -0.0007700800000000, -0.0007872000000000, 0.0029143900000000 ] - [ 0.0006351900000000, 0.0006866600000000, -0.0079491800000000 ] - [ 0.0008601100000000, -0.0013029900000000, -0.0114451800000000 ] - [ -0.0007669700000000, 0.0007916900000000, 0.0033122500000000 ] - [ -0.0002175300000000, 0.0012237000000000, -0.0063790900000000 ] - [ 0.0085239000000000, 0.0067801200000000, 0.0002697300000000 ] - [ -0.0014866700000000, 0.0056473600000000, 0.0020090700000000 ] - [ -0.0002796800000000, 0.0004013900000000, -0.0042194800000000 ] - [ 0.0124475000000000, 0.0078768800000000, -0.0086486500000000 ] - [ -0.0010375600000000, 0.0013281200000000, -0.0047408600000000 ] - [ 0.0003119300000000, 0.0012251000000000, -0.0049955500000000 ] - [ -0.0043037200000000, 0.0085774200000000, -0.0018204500000000 ] - [ -0.0005221000000000, -0.0005631300000000, -0.0058054900000000 ] - [ -0.0081584900000000, -0.0072680000000000, 0.0030361900000000 ] - [ -0.0005086700000000, -0.0006995300000000, -0.0039756500000000 ] - [ 0.0021846000000000, -0.0064303100000000, 0.0040872000000000 ] - [ -0.0153382200000000, -0.0102819800000000, -0.0113364900000000 ] - [ 0.0019870700000000, -0.0021594300000000, -0.0063768300000000 ] - [ -0.0009082300000000, -0.0032908300000000, -0.0071105100000000 ] - [ 0.0068424100000000, -0.0118255500000000, -0.0034109600000000 ] - [ 0.0002822900000000, -0.0004112900000000, 0.1180678200000000 ] - [ 0.0003402200000000, 0.0009194200000000, -0.0069138200000000 ] - [ 0.0003503100000000, -0.0009117200000000, -0.0058980600000000 ] - [ -0.0000379400000000, 0.0008349100000000, 0.0094795100000000 ]