# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/afb609c0-626e-405c-b49c-2ab5205dda1e/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 Zn3(PO4)2 / P2_1/c (14) / materials id 553958](https://mdr.nims.go.jp/datasets/cac3c140-ac2f-4003-a6e6-40bbe2c47e81) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.282500990000001, 0.000000000000000, -0.015456040000000 ] # a - [ 0.000000000000000, 9.156362610000000, 0.000000000000000 ] # b - [ -3.426219670000000, 0.000000000000000, 8.021773980000001 ] # c points: - symbol: Zn # 1 coordinates: [ 0.489577920000000, 0.109989360000000, 0.132028190000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.489577920000000, 0.390010640000000, 0.632028190000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.510422080000000, 0.609989360000000, 0.367971810000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.084833970000000, 0.766536490000000, 0.969402980000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.202449630000000, 0.388257810000000, 0.943273470000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.797550370000000, 0.611742190000000, 0.056726530000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.915166030000000, 0.266536490000000, 0.530597020000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.084833970000000, 0.733463510000000, 0.469402980000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.797550370000000, 0.888257810000000, 0.556726530000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.202449630000000, 0.111742190000000, 0.443273470000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.915166030000000, 0.233463510000000, 0.030597020000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.510422080000000, 0.890010640000000, 0.867971810000000 ] mass: 65.380000 - symbol: P # 13 coordinates: [ 0.639810670000000, 0.114801030000000, 0.678182360000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.360189330000000, 0.885198970000000, 0.321817640000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.858609760000000, 0.559978500000000, 0.691409980000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.858609760000000, 0.940021500000000, 0.191409980000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.639810670000000, 0.385198970000000, 0.178182360000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.141390240000000, 0.059978500000000, 0.808590020000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.360189330000000, 0.614801030000000, 0.821817640000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.141390240000000, 0.440021500000000, 0.308590020000000 ] mass: 30.973762 - symbol: O # 21 coordinates: [ 0.247911710000000, 0.601019060000000, 0.927778860000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.972649690000000, 0.077076620000000, 0.200537350000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.895270950000000, 0.885391930000000, 0.370979110000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.280724140000000, 0.728623400000000, 0.682682270000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.752088290000000, 0.101019060000000, 0.572221140000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.627940290000000, 0.541404650000000, 0.235757670000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.453915280000000, 0.317880410000000, 0.074484740000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.661441380000000, 0.520175520000000, 0.601299180000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.372059710000000, 0.041404650000000, 0.264242330000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.027350310000000, 0.922923380000000, 0.799462650000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.102195770000000, 0.316501330000000, 0.409681300000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.661441380000000, 0.979824480000000, 0.101299180000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.027350310000000, 0.577076620000000, 0.299462650000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.627940290000000, 0.958595350000000, 0.735757670000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.247911710000000, 0.898980940000000, 0.427778860000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.338558620000000, 0.479824480000000, 0.398700820000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.719275860000000, 0.271376600000000, 0.317317730000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.280724140000000, 0.771376600000000, 0.182682270000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.546084720000000, 0.682119590000000, 0.925515260000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.895270950000000, 0.614608070000000, 0.870979110000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.719275860000000, 0.228623400000000, 0.817317730000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.453915280000000, 0.182119590000000, 0.574484740000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.104729050000000, 0.385391930000000, 0.129020890000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.338558620000000, 0.020175520000000, 0.898700820000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.752088290000000, 0.398980940000000, 0.072221140000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.897804230000000, 0.816501330000000, 0.090318700000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.546084720000000, 0.817880410000000, 0.425515260000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.372059710000000, 0.458595350000000, 0.764242330000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.104729050000000, 0.114608070000000, 0.629020890000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.972649690000000, 0.422923380000000, 0.700537350000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.897804230000000, 0.683498670000000, 0.590318700000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.102195770000000, 0.183498670000000, 0.909681300000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.120832787048877, 0.000000000000000, 0.051609490967955 ] # a* - [ 0.000000000000000, 0.109213673878300, 0.000000000000000 ] # b* - [ 0.000232815882696, 0.000000000000000, 0.124760144184065 ] # c*unit_cell: lattice: - [ 8.282500990000001, 0.000000000000000, -0.015456040000000 ] # a - [ 0.000000000000000, 9.156362610000000, 0.000000000000000 ] # b - [ -3.426219670000000, 0.000000000000000, 8.021773980000001 ] # c points: - symbol: Zn # 1 coordinates: [ 0.489577920000000, 0.109989360000000, 0.132028190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.489577920000000, 0.390010640000000, 0.632028190000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.510422080000000, 0.609989360000000, 0.367971810000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.084833970000000, 0.766536490000000, 0.969402980000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.202449630000000, 0.388257810000000, 0.943273470000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.797550370000000, 0.611742190000000, 0.056726530000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.915166030000000, 0.266536490000000, 0.530597020000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.084833970000000, 0.733463510000000, 0.469402980000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.797550370000000, 0.888257810000000, 0.556726530000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.202449630000000, 0.111742190000000, 0.443273470000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.915166030000000, 0.233463510000000, 0.030597020000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.510422080000000, 0.890010640000000, 0.867971810000000 ] mass: 65.380000 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.639810670000000, 0.114801030000000, 0.678182360000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.360189330000000, 0.885198970000000, 0.321817640000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.858609760000000, 0.559978500000000, 0.691409980000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.858609760000000, 0.940021500000000, 0.191409980000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.639810670000000, 0.385198970000000, 0.178182360000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.141390240000000, 0.059978500000000, 0.808590020000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.360189330000000, 0.614801030000000, 0.821817640000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.141390240000000, 0.440021500000000, 0.308590020000000 ] mass: 30.973762 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.247911710000000, 0.601019060000000, 0.927778860000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.972649690000000, 0.077076620000000, 0.200537350000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.895270950000000, 0.885391930000000, 0.370979110000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.280724140000000, 0.728623400000000, 0.682682270000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.752088290000000, 0.101019060000000, 0.572221140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.627940290000000, 0.541404650000000, 0.235757670000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.453915280000000, 0.317880410000000, 0.074484740000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.661441380000000, 0.520175520000000, 0.601299180000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.372059710000000, 0.041404650000000, 0.264242330000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.027350310000000, 0.922923380000000, 0.799462650000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.102195770000000, 0.316501330000000, 0.409681300000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.661441380000000, 0.979824480000000, 0.101299180000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.027350310000000, 0.577076620000000, 0.299462650000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.627940290000000, 0.958595350000000, 0.735757670000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.247911710000000, 0.898980940000000, 0.427778860000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.338558620000000, 0.479824480000000, 0.398700820000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.719275860000000, 0.271376600000000, 0.317317730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.280724140000000, 0.771376600000000, 0.182682270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.546084720000000, 0.682119590000000, 0.925515260000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.895270950000000, 0.614608070000000, 0.870979110000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.719275860000000, 0.228623400000000, 0.817317730000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.453915280000000, 0.182119590000000, 0.574484740000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.104729050000000, 0.385391930000000, 0.129020890000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.338558620000000, 0.020175520000000, 0.898700820000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.752088290000000, 0.398980940000000, 0.072221140000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.897804230000000, 0.816501330000000, 0.090318700000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.546084720000000, 0.817880410000000, 0.425515260000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.372059710000000, 0.458595350000000, 0.764242330000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.104729050000000, 0.114608070000000, 0.629020890000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.972649690000000, 0.422923380000000, 0.700537350000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.897804230000000, 0.683498670000000, 0.590318700000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.102195770000000, 0.183498670000000, 0.909681300000000 ] mass: 15.999400 reduced_to: 52supercell: lattice: - [ 16.565001980000002, 0.000000000000000, -0.030912080000000 ] # a - [ 0.000000000000000, 9.156362610000000, 0.000000000000000 ] # b - [ -3.426219670000000, 0.000000000000000, 8.021773980000001 ] # c points: - symbol: Zn # 1 coordinates: [ 0.244788960000000, 0.109989360000000, 0.132028190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.744788960000000, 0.109989360000000, 0.132028190000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 3 coordinates: [ 0.244788960000000, 0.390010640000000, 0.632028190000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.744788960000000, 0.390010640000000, 0.632028190000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 5 coordinates: [ 0.255211040000000, 0.609989360000000, 0.367971810000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.755211040000000, 0.609989360000000, 0.367971810000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 7 coordinates: [ 0.042416985000000, 0.766536490000000, 0.969402980000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.542416985000000, 0.766536490000000, 0.969402980000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 9 coordinates: [ 0.101224815000000, 0.388257810000000, 0.943273470000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.601224815000000, 0.388257810000000, 0.943273470000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 11 coordinates: [ 0.398775185000000, 0.611742190000000, 0.056726530000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.898775185000000, 0.611742190000000, 0.056726530000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 13 coordinates: [ 0.457583015000000, 0.266536490000000, 0.530597020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.957583015000000, 0.266536490000000, 0.530597020000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 15 coordinates: [ 0.042416985000000, 0.733463510000000, 0.469402980000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.542416985000000, 0.733463510000000, 0.469402980000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 17 coordinates: [ 0.398775185000000, 0.888257810000000, 0.556726530000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.898775185000000, 0.888257810000000, 0.556726530000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 19 coordinates: [ 0.101224815000000, 0.111742190000000, 0.443273470000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.601224815000000, 0.111742190000000, 0.443273470000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 21 coordinates: [ 0.457583015000000, 0.233463510000000, 0.030597020000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.957583015000000, 0.233463510000000, 0.030597020000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 23 coordinates: [ 0.255211040000000, 0.890010640000000, 0.867971810000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.755211040000000, 0.890010640000000, 0.867971810000000 ] mass: 65.380000 reduced_to: 23 - symbol: P # 25 coordinates: [ 0.319905335000000, 0.114801030000000, 0.678182360000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.819905335000000, 0.114801030000000, 0.678182360000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.180094665000000, 0.885198970000000, 0.321817640000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.680094665000000, 0.885198970000000, 0.321817640000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 29 coordinates: [ 0.429304880000000, 0.559978500000000, 0.691409980000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.929304880000000, 0.559978500000000, 0.691409980000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.429304880000000, 0.940021500000000, 0.191409980000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.929304880000000, 0.940021500000000, 0.191409980000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 33 coordinates: [ 0.319905335000000, 0.385198970000000, 0.178182360000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.819905335000000, 0.385198970000000, 0.178182360000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.070695120000000, 0.059978500000000, 0.808590020000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.570695120000000, 0.059978500000000, 0.808590020000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 37 coordinates: [ 0.180094665000000, 0.614801030000000, 0.821817640000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.680094665000000, 0.614801030000000, 0.821817640000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.070695120000000, 0.440021500000000, 0.308590020000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.570695120000000, 0.440021500000000, 0.308590020000000 ] mass: 30.973762 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.123955855000000, 0.601019060000000, 0.927778860000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.623955855000000, 0.601019060000000, 0.927778860000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.486324845000000, 0.077076620000000, 0.200537350000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.986324845000000, 0.077076620000000, 0.200537350000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.447635475000000, 0.885391930000000, 0.370979110000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.947635475000000, 0.885391930000000, 0.370979110000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.140362070000000, 0.728623400000000, 0.682682270000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.640362070000000, 0.728623400000000, 0.682682270000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.376044145000000, 0.101019060000000, 0.572221140000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.876044145000000, 0.101019060000000, 0.572221140000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.313970145000000, 0.541404650000000, 0.235757670000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.813970145000000, 0.541404650000000, 0.235757670000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.226957640000000, 0.317880410000000, 0.074484740000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.726957640000000, 0.317880410000000, 0.074484740000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.330720690000000, 0.520175520000000, 0.601299180000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.830720690000000, 0.520175520000000, 0.601299180000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.186029855000000, 0.041404650000000, 0.264242330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.686029855000000, 0.041404650000000, 0.264242330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.013675155000000, 0.922923380000000, 0.799462650000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.513675155000000, 0.922923380000000, 0.799462650000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.051097885000000, 0.316501330000000, 0.409681300000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.551097885000000, 0.316501330000000, 0.409681300000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.330720690000000, 0.979824480000000, 0.101299180000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.830720690000000, 0.979824480000000, 0.101299180000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.013675155000000, 0.577076620000000, 0.299462650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.513675155000000, 0.577076620000000, 0.299462650000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.313970145000000, 0.958595350000000, 0.735757670000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.813970145000000, 0.958595350000000, 0.735757670000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.123955855000000, 0.898980940000000, 0.427778860000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.623955855000000, 0.898980940000000, 0.427778860000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.169279310000000, 0.479824480000000, 0.398700820000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.669279310000000, 0.479824480000000, 0.398700820000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.359637930000000, 0.271376600000000, 0.317317730000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.859637930000000, 0.271376600000000, 0.317317730000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.140362070000000, 0.771376600000000, 0.182682270000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.640362070000000, 0.771376600000000, 0.182682270000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.273042360000000, 0.682119590000000, 0.925515260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.773042360000000, 0.682119590000000, 0.925515260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.447635475000000, 0.614608070000000, 0.870979110000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.947635475000000, 0.614608070000000, 0.870979110000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.359637930000000, 0.228623400000000, 0.817317730000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.859637930000000, 0.228623400000000, 0.817317730000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.226957640000000, 0.182119590000000, 0.574484740000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.726957640000000, 0.182119590000000, 0.574484740000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.052364525000000, 0.385391930000000, 0.129020890000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.552364525000000, 0.385391930000000, 0.129020890000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.169279310000000, 0.020175520000000, 0.898700820000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.669279310000000, 0.020175520000000, 0.898700820000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.376044145000000, 0.398980940000000, 0.072221140000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.876044145000000, 0.398980940000000, 0.072221140000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.448902115000000, 0.816501330000000, 0.090318700000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.948902115000000, 0.816501330000000, 0.090318700000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.273042360000000, 0.817880410000000, 0.425515260000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.773042360000000, 0.817880410000000, 0.425515260000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.186029855000000, 0.458595350000000, 0.764242330000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.686029855000000, 0.458595350000000, 0.764242330000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.052364525000000, 0.114608070000000, 0.629020890000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.552364525000000, 0.114608070000000, 0.629020890000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.486324845000000, 0.422923380000000, 0.700537350000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.986324845000000, 0.422923380000000, 0.700537350000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.448902115000000, 0.683498670000000, 0.590318700000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.948902115000000, 0.683498670000000, 0.590318700000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.051097885000000, 0.183498670000000, 0.909681300000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.551097885000000, 0.183498670000000, 0.909681300000000 ] mass: 15.999400 reduced_to: 103displacements:- atom: 1 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ -0.1209350100000000, 0.0007935500000000, 0.0471133500000000 ] - [ 0.0025189000000000, 0.0000561500000000, 0.0004922600000000 ] - [ -0.0017633200000000, -0.0001463200000000, -0.0021303000000000 ] - [ 0.0021669600000000, -0.0001745100000000, 0.0010063900000000 ] - [ -0.0042110200000000, 0.0026901700000000, -0.0005361600000000 ] - [ 0.0013726000000000, -0.0003484500000000, 0.0007428600000000 ] - [ 0.0009703900000000, 0.0016839500000000, 0.0023533000000000 ] - [ 0.0023745500000000, -0.0013389200000000, -0.0003296200000000 ] - [ -0.0023364200000000, -0.0051329700000000, 0.0012626700000000 ] - [ 0.0014170100000000, 0.0001832800000000, 0.0003949500000000 ] - [ -0.0006644500000000, -0.0016010100000000, -0.0012340800000000 ] - [ 0.0020687400000000, 0.0002354400000000, 0.0007310800000000 ] - [ 0.0014251900000000, -0.0007146400000000, 0.0039116000000000 ] - [ 0.0017884400000000, -0.0012450700000000, 0.0006521200000000 ] - [ 0.0012873800000000, 0.0020068300000000, -0.0006838000000000 ] - [ 0.0015079400000000, -0.0009428800000000, 0.0024278900000000 ] - [ -0.0041176700000000, -0.0012236700000000, 0.0005441800000000 ] - [ 0.0025444900000000, 0.0004868600000000, 0.0010736200000000 ] - [ 0.0026169700000000, -0.0022904400000000, -0.0035982900000000 ] - [ 0.0026206300000000, 0.0003497000000000, 0.0026854900000000 ] - [ 0.0030907800000000, 0.0031932600000000, -0.0028305300000000 ] - [ 0.0038166900000000, -0.0008415300000000, 0.0002335700000000 ] - [ -0.0082941100000000, -0.0040676000000000, -0.0121446300000000 ] - [ 0.0013429700000000, 0.0003263700000000, 0.0009297300000000 ] - [ -0.0058262300000000, 0.0007902000000000, -0.0070200400000000 ] - [ 0.0034091300000000, 0.0002166600000000, 0.0009290500000000 ] - [ 0.0036074600000000, 0.0263712300000000, -0.0122128700000000 ] - [ 0.0036226400000000, -0.0001025300000000, 0.0015611800000000 ] - [ -0.0020958400000000, 0.0003424800000000, -0.0012066400000000 ] - [ 0.0021562000000000, 0.0001572000000000, 0.0018648800000000 ] - [ 0.0261720700000000, -0.0104798900000000, 0.0129202600000000 ] - [ 0.0040555200000000, 0.0010367800000000, 0.0020544900000000 ] - [ -0.0088283900000000, 0.0184166800000000, -0.0116009800000000 ] - [ 0.0027771300000000, -0.0002301000000000, 0.0002245200000000 ] - [ 0.0040256900000000, 0.0041047700000000, 0.0110376000000000 ] - [ 0.0019291900000000, -0.0002558700000000, 0.0010486200000000 ] - [ -0.0054754100000000, -0.0003232500000000, -0.0022611200000000 ] - [ 0.0022874500000000, -0.0001614800000000, 0.0017903500000000 ] - [ -0.0002125200000000, -0.0019920100000000, -0.0026830500000000 ] - [ 0.0031871600000000, 0.0004699100000000, 0.0000094300000000 ] - [ 0.0030522300000000, -0.0010491200000000, -0.0006986500000000 ] - [ -0.0001872500000000, -0.0001482400000000, -0.0004087000000000 ] - [ -0.0070357000000000, -0.0023593300000000, -0.0024975800000000 ] - [ -0.0031309500000000, -0.0013660900000000, -0.0006338000000000 ] - [ -0.0022522700000000, 0.0037566000000000, -0.0075188800000000 ] - [ -0.0013167800000000, 0.0000579200000000, -0.0005421400000000 ] - [ 0.0010815700000000, -0.0008086800000000, 0.0020486600000000 ] - [ -0.0012428600000000, 0.0007677800000000, -0.0015172800000000 ] - [ 0.0015780900000000, 0.0004913500000000, 0.0004294800000000 ] - [ -0.0027935100000000, -0.0003149900000000, 0.0001765200000000 ] - [ 0.0033037100000000, -0.0032821800000000, 0.0012717600000000 ] - [ -0.0009235100000000, 0.0000206700000000, -0.0000622700000000 ] - [ 0.0081753100000000, -0.0019026400000000, 0.0050015400000000 ] - [ -0.0022263500000000, -0.0004914300000000, -0.0013884700000000 ] - [ 0.0023439000000000, -0.0001473700000000, 0.0008406800000000 ] - [ -0.0016866400000000, -0.0001064900000000, -0.0015637700000000 ] - [ 0.0571896100000000, 0.0208177600000000, -0.0405847100000000 ] - [ -0.0016860900000000, -0.0006137700000000, 0.0000292400000000 ] - [ -0.0005886800000000, -0.0010783900000000, -0.0011425000000000 ] - [ -0.0001464600000000, 0.0002729400000000, 0.0000097200000000 ] - [ -0.0000088700000000, 0.0011933000000000, 0.0009815700000000 ] - [ -0.0014471100000000, -0.0006162800000000, 0.0003470400000000 ] - [ 0.0368035200000000, -0.0277525100000000, -0.0056854700000000 ] - [ -0.0024511300000000, 0.0000823000000000, -0.0017677500000000 ] - [ 0.0000276800000000, -0.0003476400000000, 0.0003376700000000 ] - [ -0.0005787900000000, 0.0002040600000000, -0.0005918300000000 ] - [ 0.0012383500000000, 0.0000369000000000, 0.0031140400000000 ] - [ -0.0010000800000000, 0.0000171500000000, -0.0003208100000000 ] - [ -0.0044389100000000, -0.0045827800000000, 0.0037419200000000 ] - [ -0.0013977000000000, 0.0005377900000000, -0.0006432500000000 ] - [ 0.0013349700000000, 0.0001807700000000, 0.0018912500000000 ] - [ -0.0023428300000000, -0.0004884400000000, -0.0004870900000000 ] - [ 0.0026671800000000, -0.0078486900000000, 0.0012618300000000 ] - [ -0.0007056000000000, -0.0000772900000000, -0.0006470800000000 ] - [ -0.0006172600000000, -0.0076476100000000, -0.0004782200000000 ] - [ -0.0018848300000000, -0.0004656000000000, -0.0013514000000000 ] - [ 0.0042592400000000, 0.0023576400000000, 0.0033595100000000 ] - [ -0.0013172900000000, -0.0000543300000000, -0.0005976200000000 ] - [ 0.0000220400000000, 0.0003618800000000, 0.0009725400000000 ] - [ -0.0004695500000000, -0.0005440400000000, -0.0010111900000000 ] - [ 0.0014141400000000, 0.0003351000000000, 0.0041477000000000 ] - [ -0.0012031000000000, 0.0002463100000000, -0.0012319800000000 ] - [ 0.0033759200000000, 0.0006142600000000, 0.0039597600000000 ] - [ -0.0026578400000000, 0.0005063200000000, -0.0018488900000000 ] - [ -0.0007622800000000, 0.0017594400000000, 0.0010253300000000 ] - [ -0.0011466400000000, -0.0003225000000000, 0.0003361400000000 ] - [ 0.0065562900000000, -0.0012744100000000, 0.0024181900000000 ] - [ -0.0019789500000000, 0.0004713200000000, -0.0004874100000000 ] - [ 0.0005966600000000, -0.0022702900000000, 0.0020678300000000 ] - [ -0.0025282700000000, 0.0005520800000000, 0.0004581300000000 ] - [ -0.0071964100000000, 0.0064496800000000, 0.0007127000000000 ] - [ -0.0016323600000000, -0.0001567100000000, -0.0009857000000000 ] - [ 0.0067064000000000, -0.0069390900000000, 0.0052131900000000 ] - [ -0.0017443200000000, 0.0000658500000000, -0.0007170900000000 ] - [ 0.0013820700000000, 0.0005200500000000, 0.0007218100000000 ] - [ -0.0010339700000000, 0.0005173000000000, -0.0002061500000000 ] - [ -0.0004130400000000, 0.0005968100000000, -0.0021576000000000 ] - [ -0.0005566400000000, 0.0000238000000000, -0.0008709700000000 ] - [ -0.0001934900000000, -0.0001991400000000, -0.0006299700000000 ] - [ -0.0013481100000000, 0.0014979700000000, -0.0007831400000000 ] - [ 0.0008750100000000, -0.0000460800000000, -0.0006918900000000 ] - [ -0.0008982600000000, -0.0005682500000000, -0.0008779000000000 ] - [ -0.0014894200000000, 0.0005245700000000, -0.0034270800000000 ] - [ -0.0007237100000000, -0.0002656000000000, 0.0006571600000000 ]- atom: 1 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.1218158700000000, 0.0029103000000000, -0.0492586800000000 ] - [ -0.0016292900000000, -0.0002365000000000, -0.0005397000000000 ] - [ 0.0026499100000000, 0.0003280800000000, 0.0020850700000000 ] - [ -0.0012780300000000, 0.0003582000000000, -0.0010538000000000 ] - [ 0.0033271200000000, -0.0028717600000000, 0.0005787900000000 ] - [ -0.0022602500000000, 0.0001672000000000, -0.0006969100000000 ] - [ -0.0012727900000000, -0.0027722200000000, -0.0014644100000000 ] - [ -0.0026900500000000, 0.0002521500000000, 0.0012238500000000 ] - [ 0.0017965900000000, 0.0052315100000000, -0.0011722500000000 ] - [ -0.0019848800000000, -0.0001107300000000, -0.0003015500000000 ] - [ 0.0012335300000000, 0.0015362600000000, 0.0011364100000000 ] - [ -0.0014959600000000, -0.0003054800000000, -0.0008274300000000 ] - [ -0.0011184800000000, -0.0003700900000000, -0.0048040300000000 ] - [ -0.0014714600000000, 0.0001528500000000, -0.0015468400000000 ] - [ -0.0015868800000000, -0.0009119700000000, 0.0015819300000000 ] - [ -0.0018175600000000, 0.0020262900000000, -0.0015329000000000 ] - [ 0.0046796300000000, 0.0012974700000000, -0.0006414000000000 ] - [ -0.0019704900000000, -0.0004190100000000, -0.0011686600000000 ] - [ -0.0031831200000000, 0.0022075500000000, 0.0037089300000000 ] - [ -0.0031861800000000, -0.0004166100000000, -0.0025816200000000 ] - [ -0.0027619800000000, -0.0020915400000000, 0.0019264700000000 ] - [ -0.0035245400000000, 0.0019342100000000, -0.0011262500000000 ] - [ 0.0073520800000000, 0.0042573600000000, 0.0121825000000000 ] - [ -0.0022314900000000, -0.0001469200000000, -0.0008845100000000 ] - [ 0.0059766200000000, -0.0008369400000000, 0.0057305800000000 ] - [ -0.0032582600000000, -0.0002542000000000, -0.0021993400000000 ] - [ -0.0038027100000000, -0.0263153200000000, 0.0135409600000000 ] - [ -0.0037693900000000, 0.0001298100000000, -0.0002976500000000 ] - [ 0.0020872700000000, 0.0002110100000000, 0.0024273500000000 ] - [ -0.0021578900000000, 0.0004019700000000, -0.0006424200000000 ] - [ -0.0260670200000000, 0.0097668500000000, -0.0117495700000000 ] - [ -0.0040638500000000, -0.0016058000000000, -0.0008276400000000 ] - [ 0.0088599000000000, -0.0183945900000000, 0.0103244400000000 ] - [ -0.0026278600000000, 0.0002652800000000, -0.0014885800000000 ] - [ -0.0038729600000000, -0.0036519400000000, -0.0123364800000000 ] - [ -0.0019276900000000, 0.0008063800000000, -0.0022729500000000 ] - [ 0.0053308300000000, 0.0002908200000000, 0.0035223400000000 ] - [ -0.0024368200000000, 0.0001294100000000, -0.0005226100000000 ] - [ 0.0002157200000000, 0.0014506900000000, 0.0014833900000000 ] - [ -0.0031846300000000, -0.0010205600000000, -0.0012328800000000 ] - [ -0.0010988900000000, 0.0005106400000000, -0.0001435400000000 ] - [ 0.0021517000000000, -0.0003896300000000, -0.0004368200000000 ] - [ 0.0060037000000000, 0.0013692600000000, 0.0022921900000000 ] - [ 0.0021352900000000, 0.0003770800000000, 0.0004234100000000 ] - [ 0.0024650900000000, -0.0033392300000000, 0.0068245800000000 ] - [ 0.0015347900000000, 0.0003450700000000, -0.0001453900000000 ] - [ -0.0017859000000000, 0.0016069200000000, -0.0026587100000000 ] - [ 0.0005413300000000, 0.0000392900000000, 0.0009069900000000 ] - [ -0.0035352100000000, -0.0010279100000000, 0.0004246000000000 ] - [ 0.0008283200000000, -0.0002210800000000, 0.0006724700000000 ] - [ -0.0029893900000000, 0.0026534600000000, -0.0013470500000000 ] - [ 0.0012283400000000, -0.0006638400000000, -0.0000200600000000 ] - [ -0.0090223000000000, 0.0009118500000000, -0.0058367700000000 ] - [ 0.0013320000000000, 0.0000152400000000, 0.0004670400000000 ] - [ -0.0020850900000000, 0.0003128800000000, -0.0019147500000000 ] - [ 0.0019360000000000, 0.0002692200000000, 0.0004830700000000 ] - [ -0.0596342300000000, -0.0229074900000000, 0.0429422300000000 ] - [ 0.0013803400000000, -0.0000228300000000, 0.0000529000000000 ] - [ 0.0015600600000000, 0.0020767400000000, 0.0013433100000000 ] - [ 0.0011562600000000, 0.0007279700000000, 0.0001938600000000 ] - [ 0.0004582700000000, -0.0005979000000000, 0.0002759800000000 ] - [ 0.0019009600000000, 0.0012096500000000, 0.0009123400000000 ] - [ -0.0346346600000000, 0.0257463000000000, 0.0043189500000000 ] - [ 0.0027088100000000, -0.0002466000000000, 0.0006905100000000 ] - [ 0.0009796200000000, -0.0006572000000000, -0.0001400500000000 ] - [ 0.0015895900000000, -0.0012075400000000, 0.0007957400000000 ] - [ -0.0009302600000000, 0.0006109900000000, -0.0031906600000000 ] - [ 0.0013048800000000, 0.0006228500000000, 0.0002403700000000 ] - [ 0.0063578800000000, 0.0050854500000000, -0.0045596900000000 ] - [ 0.0033602800000000, 0.0000049600000000, -0.0002059600000000 ] - [ -0.0015887900000000, -0.0003486000000000, -0.0008157800000000 ] - [ 0.0020963600000000, 0.0003230000000000, 0.0015675800000000 ] - [ -0.0018816900000000, 0.0071027700000000, -0.0005681800000000 ] - [ 0.0014108200000000, -0.0007283100000000, 0.0012562900000000 ] - [ -0.0000856700000000, 0.0068451900000000, -0.0001415300000000 ] - [ 0.0011842200000000, -0.0003380300000000, 0.0007443800000000 ] - [ -0.0033593100000000, -0.0018855000000000, -0.0024381800000000 ] - [ 0.0022095400000000, 0.0005297600000000, 0.0015142800000000 ] - [ 0.0001989600000000, -0.0007625500000000, -0.0016541900000000 ] - [ 0.0006857700000000, 0.0001434500000000, 0.0003353200000000 ] - [ -0.0007107100000000, 0.0004705400000000, -0.0035218200000000 ] - [ 0.0019122800000000, 0.0005587000000000, 0.0018461900000000 ] - [ -0.0042676300000000, -0.0001346600000000, -0.0048783200000000 ] - [ 0.0017655500000000, -0.0000305500000000, 0.0009310200000000 ] - [ 0.0005506200000000, -0.0013767000000000, -0.0003619300000000 ] - [ 0.0009261000000000, 0.0007205500000000, 0.0003496100000000 ] - [ -0.0068009500000000, 0.0014784600000000, -0.0013625500000000 ] - [ 0.0017327800000000, -0.0003051700000000, 0.0015686600000000 ] - [ -0.0025409600000000, 0.0028020100000000, -0.0012251500000000 ] - [ 0.0005688700000000, -0.0000162300000000, 0.0003875500000000 ] - [ 0.0067868000000000, -0.0058713200000000, -0.0019699500000000 ] - [ 0.0011809100000000, 0.0007597900000000, -0.0002731000000000 ] - [ -0.0058110200000000, 0.0064692100000000, -0.0042960300000000 ] - [ 0.0026390200000000, -0.0005413900000000, 0.0016368500000000 ] - [ -0.0016832900000000, 0.0001304200000000, -0.0006427500000000 ] - [ 0.0007316700000000, 0.0001196800000000, 0.0002876700000000 ] - [ 0.0001656700000000, -0.0009738500000000, 0.0028261300000000 ] - [ 0.0003422500000000, -0.0004239800000000, 0.0015498600000000 ] - [ -0.0008103300000000, 0.0011990000000000, 0.0004308100000000 ] - [ 0.0003436000000000, -0.0005057800000000, 0.0005838600000000 ] - [ -0.0013181000000000, -0.0005481300000000, -0.0005732000000000 ] - [ 0.0004539400000000, -0.0000264200000000, -0.0003892400000000 ] - [ 0.0019113100000000, -0.0010987400000000, 0.0047457200000000 ] - [ 0.0011712800000000, -0.0003306200000000, 0.0006071000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011832700000000, -0.1470375500000000, 0.0176673300000000 ] - [ 0.0005924600000000, -0.0004165100000000, 0.0001431900000000 ] - [ 0.0006816300000000, -0.0007490600000000, -0.0005019000000000 ] - [ 0.0007129900000000, -0.0000590300000000, 0.0002321000000000 ] - [ -0.0032226900000000, 0.0059552600000000, 0.0018186400000000 ] - [ -0.0001872600000000, 0.0004038900000000, -0.0000329900000000 ] - [ 0.0008325300000000, 0.0020350200000000, 0.0022339000000000 ] - [ -0.0011356100000000, 0.0003993600000000, 0.0012306700000000 ] - [ -0.0117828500000000, 0.0054404900000000, -0.0084859700000000 ] - [ 0.0003977100000000, -0.0001025100000000, 0.0002039200000000 ] - [ 0.0018817900000000, 0.0058501700000000, -0.0010365500000000 ] - [ 0.0002756600000000, 0.0006462200000000, -0.0000383200000000 ] - [ 0.0030929500000000, -0.0026526600000000, 0.0060844200000000 ] - [ 0.0004354600000000, -0.0017189900000000, -0.0004329500000000 ] - [ 0.0007615300000000, 0.0021226200000000, 0.0002324700000000 ] - [ -0.0008575700000000, 0.0026679600000000, -0.0000190800000000 ] - [ -0.0008139800000000, -0.0000091000000000, -0.0027786300000000 ] - [ 0.0008747300000000, 0.0003246300000000, 0.0003977000000000 ] - [ 0.0013940100000000, -0.0026856100000000, -0.0010653800000000 ] - [ -0.0002427800000000, -0.0014477600000000, -0.0009111300000000 ] - [ 0.0023311200000000, -0.0034703800000000, -0.0005897900000000 ] - [ -0.0008240900000000, -0.0007887400000000, -0.0004438600000000 ] - [ -0.0045773700000000, 0.0084723800000000, 0.0111873300000000 ] - [ -0.0002079100000000, 0.0002016300000000, 0.0001615000000000 ] - [ -0.0018521700000000, -0.0048665500000000, -0.0003211100000000 ] - [ 0.0006040500000000, -0.0006462100000000, -0.0008678000000000 ] - [ 0.0103016400000000, 0.0153508300000000, -0.0099520200000000 ] - [ -0.0006199400000000, 0.0000943600000000, 0.0007901400000000 ] - [ 0.0005314200000000, 0.0028722500000000, 0.0010714900000000 ] - [ -0.0003455900000000, 0.0014997300000000, 0.0003413100000000 ] - [ -0.0192267100000000, 0.0038392300000000, -0.0091919400000000 ] - [ 0.0009377300000000, -0.0003298700000000, 0.0010526200000000 ] - [ 0.0332424600000000, 0.0393087000000000, 0.0112780900000000 ] - [ 0.0000043800000000, -0.0001109300000000, -0.0002423100000000 ] - [ 0.0138768400000000, -0.0091508800000000, 0.0030257100000000 ] - [ -0.0002201200000000, -0.0008319400000000, -0.0000782800000000 ] - [ 0.0019113300000000, 0.0069215500000000, -0.0005671400000000 ] - [ 0.0003170900000000, 0.0005248200000000, 0.0005902800000000 ] - [ -0.0034305100000000, 0.0009261200000000, 0.0016393500000000 ] - [ 0.0017447900000000, 0.0009423300000000, -0.0002067600000000 ] - [ 0.0012260200000000, -0.0047258200000000, 0.0009571500000000 ] - [ 0.0006648000000000, -0.0006680000000000, -0.0004131500000000 ] - [ 0.0046647400000000, 0.0036455300000000, 0.0022617300000000 ] - [ -0.0012256500000000, -0.0000308500000000, -0.0006430400000000 ] - [ 0.0029075300000000, -0.0020717100000000, 0.0043382500000000 ] - [ -0.0003488200000000, 0.0001706200000000, -0.0005105400000000 ] - [ -0.0006751200000000, -0.0023607600000000, 0.0006105100000000 ] - [ -0.0003797200000000, 0.0000736000000000, -0.0001924400000000 ] - [ 0.0005143900000000, 0.0029112700000000, -0.0001407100000000 ] - [ -0.0015329400000000, 0.0001077200000000, 0.0005497600000000 ] - [ -0.0014182500000000, -0.0105235700000000, -0.0038991300000000 ] - [ 0.0001384100000000, -0.0004054100000000, -0.0001118100000000 ] - [ -0.0066453100000000, 0.0605978100000000, -0.0173187900000000 ] - [ -0.0005880400000000, -0.0000927300000000, -0.0005873400000000 ] - [ -0.0001558200000000, -0.0009901800000000, -0.0012637900000000 ] - [ 0.0000879600000000, -0.0001476700000000, -0.0005528800000000 ] - [ 0.0234655000000000, 0.0080103800000000, -0.0170162800000000 ] - [ 0.0000512400000000, -0.0001690100000000, -0.0000528300000000 ] - [ -0.0022671300000000, 0.0004661400000000, -0.0009996800000000 ] - [ 0.0008831600000000, 0.0009330900000000, -0.0000614400000000 ] - [ 0.0010161400000000, 0.0015078400000000, -0.0002088400000000 ] - [ -0.0020256700000000, 0.0004913400000000, 0.0008328200000000 ] - [ -0.0269285800000000, 0.0239656000000000, 0.0066988800000000 ] - [ -0.0004090900000000, 0.0000375000000000, -0.0008511800000000 ] - [ 0.0012978400000000, -0.0018857000000000, -0.0002177800000000 ] - [ -0.0002522600000000, -0.0018557300000000, -0.0005704200000000 ] - [ 0.0021503400000000, 0.0025835800000000, -0.0020111400000000 ] - [ -0.0000607500000000, 0.0005072800000000, -0.0000464700000000 ] - [ -0.0022736100000000, -0.0019269900000000, 0.0015544400000000 ] - [ 0.0016798300000000, 0.0001295600000000, -0.0003361500000000 ] - [ 0.0014019200000000, -0.0010566300000000, 0.0000433200000000 ] - [ -0.0010402300000000, -0.0005479500000000, 0.0001764500000000 ] - [ -0.0067742000000000, -0.0000514000000000, -0.0075468400000000 ] - [ 0.0003190000000000, -0.0001295300000000, 0.0001490000000000 ] - [ -0.0019615500000000, -0.0046403200000000, -0.0003053800000000 ] - [ 0.0000089100000000, -0.0006426200000000, -0.0001847000000000 ] - [ -0.0000251300000000, -0.0041864000000000, 0.0001219800000000 ] - [ 0.0002286000000000, -0.0000099200000000, 0.0003692600000000 ] - [ -0.0002810800000000, -0.0015335700000000, -0.0007158900000000 ] - [ 0.0002593700000000, -0.0007615500000000, -0.0004555600000000 ] - [ 0.0002939400000000, 0.0024705500000000, 0.0015807300000000 ] - [ 0.0003703200000000, 0.0006747400000000, 0.0004196800000000 ] - [ 0.0002916200000000, 0.0024782400000000, 0.0001856700000000 ] - [ -0.0008113900000000, 0.0005787400000000, -0.0005631400000000 ] - [ 0.0028975500000000, -0.0002372600000000, -0.0010040500000000 ] - [ -0.0011958300000000, 0.0001624800000000, 0.0003257500000000 ] - [ -0.0032139100000000, 0.0088882700000000, 0.0073829000000000 ] - [ -0.0003400900000000, 0.0003259700000000, 0.0002754700000000 ] - [ -0.0105146400000000, -0.0039902800000000, 0.0025671800000000 ] - [ -0.0005918600000000, 0.0002781500000000, 0.0003439100000000 ] - [ 0.0046911100000000, -0.0046522700000000, -0.0011642500000000 ] - [ -0.0008634000000000, 0.0000491700000000, -0.0007135400000000 ] - [ 0.0011699800000000, -0.0042844800000000, 0.0027907600000000 ] - [ 0.0005610700000000, -0.0004275100000000, 0.0005159700000000 ] - [ -0.0006617800000000, -0.0029891900000000, 0.0019267200000000 ] - [ -0.0002762100000000, 0.0001075400000000, -0.0000757200000000 ] - [ -0.0025316700000000, 0.0025318800000000, -0.0023913400000000 ] - [ -0.0002979000000000, 0.0006877900000000, -0.0002709100000000 ] - [ -0.0005583800000000, -0.0006780800000000, -0.0014558600000000 ] - [ 0.0000170900000000, 0.0002735000000000, 0.0004529300000000 ] - [ -0.0005562600000000, -0.0021532100000000, -0.0000370300000000 ] - [ -0.0003305600000000, -0.0010822000000000, -0.0004358100000000 ] - [ -0.0004127300000000, 0.0062242300000000, 0.0037088400000000 ] - [ 0.0001613500000000, 0.0003130900000000, 0.0005675100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008373100000000, 0.1417486900000000, -0.0163186300000000 ] - [ 0.0003002100000000, 0.0002387900000000, -0.0001907800000000 ] - [ 0.0002102100000000, 0.0009268900000000, 0.0004546200000000 ] - [ 0.0001798300000000, 0.0002433300000000, -0.0002791900000000 ] - [ 0.0023325700000000, -0.0061364400000000, -0.0017656600000000 ] - [ -0.0007028100000000, -0.0005817000000000, 0.0000815000000000 ] - [ -0.0011493200000000, -0.0031101300000000, -0.0013539000000000 ] - [ 0.0008268700000000, -0.0014775900000000, -0.0003353000000000 ] - [ 0.0111729900000000, -0.0053368800000000, 0.0085411500000000 ] - [ -0.0009640200000000, 0.0001767300000000, -0.0001103500000000 ] - [ -0.0013058200000000, -0.0059097300000000, 0.0009423100000000 ] - [ 0.0002928000000000, -0.0007137400000000, -0.0000567600000000 ] - [ -0.0027794200000000, 0.0015662500000000, -0.0069637600000000 ] - [ -0.0001239300000000, 0.0006313100000000, -0.0004573100000000 ] - [ -0.0010714900000000, -0.0010287600000000, 0.0006625800000000 ] - [ 0.0005510400000000, -0.0015795900000000, 0.0009153900000000 ] - [ 0.0013846000000000, 0.0000924600000000, 0.0026903800000000 ] - [ -0.0003050200000000, -0.0002504600000000, -0.0004872600000000 ] - [ -0.0019587300000000, 0.0026149400000000, 0.0011592900000000 ] - [ -0.0003231800000000, 0.0013811300000000, 0.0010076000000000 ] - [ -0.0020203400000000, 0.0045487100000000, -0.0003081900000000 ] - [ 0.0011378300000000, 0.0018682800000000, -0.0004524200000000 ] - [ 0.0037058900000000, -0.0082932400000000, -0.0112261100000000 ] - [ -0.0006820300000000, -0.0000172900000000, -0.0001136300000000 ] - [ 0.0019982500000000, 0.0048327500000000, -0.0009472300000000 ] - [ -0.0004506400000000, 0.0006160600000000, -0.0003947300000000 ] - [ -0.0105383800000000, -0.0152726500000000, 0.0112945500000000 ] - [ 0.0004730100000000, -0.0000594700000000, 0.0004746600000000 ] - [ -0.0005389500000000, -0.0023184000000000, 0.0001484800000000 ] - [ 0.0003371100000000, -0.0009446000000000, 0.0008773300000000 ] - [ 0.0192390500000000, -0.0044013700000000, 0.0103967400000000 ] - [ -0.0009438000000000, -0.0002164900000000, 0.0001699500000000 ] - [ -0.0328637000000000, -0.0387609000000000, -0.0125067300000000 ] - [ 0.0001440100000000, 0.0001480700000000, -0.0010196700000000 ] - [ -0.0137893000000000, 0.0096944500000000, -0.0041967100000000 ] - [ 0.0002286000000000, 0.0013877500000000, -0.0011408100000000 ] - [ -0.0020723900000000, -0.0069542700000000, 0.0018208200000000 ] - [ -0.0004619800000000, -0.0005544700000000, 0.0006753800000000 ] - [ 0.0034243600000000, -0.0014789800000000, -0.0028523900000000 ] - [ -0.0017319000000000, -0.0014915500000000, -0.0010140200000000 ] - [ 0.0007293000000000, 0.0041860400000000, -0.0017933500000000 ] - [ 0.0012898600000000, 0.0001217000000000, -0.0004248400000000 ] - [ -0.0056746100000000, -0.0046488300000000, -0.0024600700000000 ] - [ 0.0002214700000000, -0.0009678200000000, 0.0004476600000000 ] - [ -0.0027088500000000, 0.0024758300000000, -0.0050132300000000 ] - [ 0.0005538100000000, 0.0002315600000000, -0.0001656000000000 ] - [ -0.0000195500000000, 0.0031525800000000, -0.0012095900000000 ] - [ -0.0003195900000000, 0.0007280000000000, -0.0004123000000000 ] - [ -0.0024635500000000, -0.0034551800000000, 0.0009832700000000 ] - [ -0.0004259500000000, -0.0006528300000000, 0.0002891900000000 ] - [ 0.0017421600000000, 0.0098995800000000, 0.0038317400000000 ] - [ 0.0001768800000000, -0.0002358900000000, 0.0000219300000000 ] - [ 0.0055986600000000, -0.0567626000000000, 0.0152925400000000 ] - [ -0.0003114700000000, -0.0003691500000000, -0.0003356000000000 ] - [ 0.0004091100000000, 0.0011615500000000, 0.0001899100000000 ] - [ 0.0001620800000000, 0.0003175500000000, -0.0005224000000000 ] - [ -0.0238954900000000, -0.0083076200000000, 0.0171678200000000 ] - [ -0.0003686300000000, -0.0004685600000000, 0.0001421900000000 ] - [ 0.0032407200000000, 0.0005245900000000, 0.0011909000000000 ] - [ 0.0001170500000000, 0.0000700400000000, 0.0002552000000000 ] - [ -0.0005590400000000, -0.0009091500000000, 0.0014695200000000 ] - [ 0.0024755600000000, 0.0000984100000000, 0.0004309000000000 ] - [ 0.0284670900000000, -0.0246319800000000, -0.0079661700000000 ] - [ 0.0006608200000000, -0.0002033300000000, -0.0002242200000000 ] - [ -0.0002935900000000, 0.0008870000000000, 0.0004122000000000 ] - [ 0.0012515000000000, 0.0008552700000000, 0.0007622700000000 ] - [ -0.0018301500000000, -0.0019345000000000, 0.0019199400000000 ] - [ 0.0003756200000000, 0.0001379500000000, -0.0000423700000000 ] - [ 0.0042170800000000, 0.0024580400000000, -0.0023846100000000 ] - [ 0.0002758700000000, 0.0004232900000000, -0.0005047600000000 ] - [ -0.0016442200000000, 0.0008926600000000, 0.0010303400000000 ] - [ 0.0007904400000000, 0.0003835800000000, 0.0009002600000000 ] - [ 0.0075324400000000, -0.0005920100000000, 0.0082210100000000 ] - [ 0.0003798300000000, -0.0006641700000000, 0.0004535400000000 ] - [ 0.0012785700000000, 0.0038321500000000, -0.0003109000000000 ] - [ -0.0007076600000000, -0.0001516300000000, -0.0004174600000000 ] - [ 0.0009275600000000, 0.0046614200000000, 0.0008104800000000 ] - [ 0.0006664500000000, 0.0004772300000000, 0.0005505100000000 ] - [ 0.0004827200000000, 0.0011342200000000, 0.0000418500000000 ] - [ -0.0000548100000000, 0.0003640500000000, -0.0002142100000000 ] - [ 0.0004060400000000, -0.0016646600000000, -0.0009748600000000 ] - [ 0.0003271400000000, 0.0001249300000000, 0.0001820500000000 ] - [ -0.0011896500000000, -0.0020048000000000, -0.0011055600000000 ] - [ -0.0000897100000000, -0.0001089400000000, -0.0003600400000000 ] - [ -0.0030909900000000, 0.0006402400000000, 0.0016731900000000 ] - [ 0.0009861400000000, 0.0002428500000000, 0.0003531100000000 ] - [ 0.0028894300000000, -0.0087313900000000, -0.0065903600000000 ] - [ 0.0000901100000000, -0.0001542500000000, 0.0008012000000000 ] - [ 0.0085328800000000, 0.0045176000000000, -0.0017267800000000 ] - [ -0.0013627900000000, 0.0002746000000000, 0.0004949900000000 ] - [ -0.0051234800000000, 0.0052303600000000, -0.0001018600000000 ] - [ 0.0004097000000000, 0.0005416300000000, -0.0005482400000000 ] - [ -0.0002571100000000, 0.0038046600000000, -0.0018734500000000 ] - [ 0.0003359100000000, -0.0000349000000000, 0.0004055100000000 ] - [ 0.0003504300000000, 0.0036355700000000, -0.0018334500000000 ] - [ -0.0000396800000000, 0.0005364200000000, 0.0001650100000000 ] - [ 0.0023195300000000, -0.0029188900000000, 0.0030526500000000 ] - [ 0.0000931900000000, -0.0010842300000000, 0.0009435100000000 ] - [ -0.0004433800000000, 0.0016844300000000, 0.0012626300000000 ] - [ -0.0010172600000000, 0.0007324800000000, -0.0006455600000000 ] - [ 0.0001027400000000, 0.0015695700000000, -0.0012288700000000 ] - [ -0.0001189400000000, 0.0004990800000000, -0.0008323100000000 ] - [ 0.0008530600000000, -0.0067821600000000, -0.0024440100000000 ] - [ 0.0002918300000000, -0.0008971900000000, 0.0006968800000000 ]- atom: 1 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0939797800000000, 0.0175203600000000, -0.0868692200000000 ] - [ 0.0001058400000000, 0.0000059200000000, 0.0002000600000000 ] - [ -0.0006226400000000, 0.0006349400000000, 0.0025033900000000 ] - [ 0.0007157600000000, -0.0000391500000000, -0.0000141800000000 ] - [ 0.0005261400000000, -0.0028317700000000, -0.0000881000000000 ] - [ -0.0004963000000000, 0.0000634400000000, 0.0001771900000000 ] - [ -0.0000572700000000, 0.0004915000000000, -0.0041187800000000 ] - [ -0.0009705300000000, -0.0002566000000000, 0.0012515200000000 ] - [ 0.0021242200000000, -0.0027324500000000, -0.0009592000000000 ] - [ -0.0001767100000000, 0.0000075100000000, 0.0004430800000000 ] - [ -0.0000939000000000, 0.0012893300000000, -0.0002414500000000 ] - [ -0.0000318600000000, -0.0002966500000000, -0.0006412300000000 ] - [ 0.0029107100000000, -0.0002328500000000, 0.0023324700000000 ] - [ 0.0004324700000000, -0.0017359300000000, 0.0009794200000000 ] - [ -0.0022703700000000, -0.0008193800000000, 0.0025111400000000 ] - [ -0.0000146100000000, 0.0011692500000000, -0.0001035500000000 ] - [ 0.0035850200000000, -0.0010690800000000, 0.0021285700000000 ] - [ 0.0006485400000000, 0.0004853600000000, 0.0016829100000000 ] - [ -0.0074011400000000, 0.0022940600000000, 0.0060814400000000 ] - [ -0.0001604600000000, -0.0005403300000000, -0.0008421100000000 ] - [ -0.0013478100000000, -0.0007821800000000, -0.0000625800000000 ] - [ 0.0007312600000000, 0.0007053100000000, -0.0025955900000000 ] - [ -0.0085212100000000, 0.0119622300000000, 0.0091747600000000 ] - [ -0.0003129200000000, 0.0001235100000000, -0.0004290100000000 ] - [ -0.0028903100000000, -0.0013979500000000, 0.0093774800000000 ] - [ 0.0010400900000000, -0.0001698100000000, -0.0008179800000000 ] - [ -0.0107899100000000, -0.0311473900000000, 0.0126380900000000 ] - [ -0.0004132500000000, -0.0000072100000000, 0.0007038500000000 ] - [ 0.0004027800000000, 0.0010304200000000, 0.0024103800000000 ] - [ 0.0007921100000000, -0.0001690600000000, 0.0001896300000000 ] - [ -0.0101061200000000, 0.0021802400000000, -0.0072748200000000 ] - [ -0.0021593800000000, -0.0014082400000000, 0.0003769500000000 ] - [ -0.0049170600000000, 0.0032385700000000, -0.0190201600000000 ] - [ -0.0002274400000000, -0.0001031500000000, -0.0003885100000000 ] - [ 0.0243991100000000, -0.0056260100000000, 0.0123992300000000 ] - [ 0.0002665200000000, 0.0002096000000000, 0.0002196700000000 ] - [ 0.0015559800000000, 0.0010622300000000, 0.0009573200000000 ] - [ -0.0000220200000000, 0.0000078900000000, 0.0005037600000000 ] - [ -0.0017917500000000, -0.0003040000000000, -0.0014626300000000 ] - [ 0.0003375100000000, 0.0004678300000000, -0.0011139400000000 ] - [ 0.0001786700000000, 0.0001822300000000, 0.0001625600000000 ] - [ 0.0008985500000000, -0.0003854100000000, -0.0004806700000000 ] - [ 0.0025559000000000, 0.0008994200000000, 0.0017040200000000 ] - [ 0.0014442300000000, -0.0003431700000000, 0.0007701400000000 ] - [ 0.0004883700000000, -0.0011767000000000, 0.0045801800000000 ] - [ 0.0012766000000000, 0.0001274300000000, -0.0009343300000000 ] - [ -0.0006791400000000, -0.0005350800000000, -0.0026600600000000 ] - [ -0.0004073000000000, 0.0003024800000000, -0.0001451400000000 ] - [ -0.0002983600000000, 0.0000571600000000, -0.0040956500000000 ] - [ -0.0018388100000000, -0.0000945400000000, 0.0002900200000000 ] - [ 0.0011538300000000, 0.0002207600000000, 0.0030000100000000 ] - [ 0.0003176400000000, -0.0003375200000000, -0.0001681200000000 ] - [ 0.0020830300000000, -0.0112297000000000, 0.0079875500000000 ] - [ -0.0004097900000000, -0.0002077900000000, -0.0005295700000000 ] - [ -0.0003159000000000, 0.0002388100000000, -0.0017787800000000 ] - [ -0.0001769200000000, 0.0001518700000000, -0.0005737100000000 ] - [ -0.0604832600000000, -0.0220424900000000, 0.0456635200000000 ] - [ 0.0000991900000000, -0.0002437000000000, -0.0000978100000000 ] - [ -0.0060921600000000, -0.0025212400000000, -0.0016609200000000 ] - [ 0.0003864100000000, 0.0007541200000000, -0.0005609800000000 ] - [ 0.0015074700000000, 0.0003010400000000, 0.0000026200000000 ] - [ -0.0008849400000000, 0.0002783200000000, 0.0010219100000000 ] - [ -0.0199797800000000, 0.0178529700000000, 0.0074730900000000 ] - [ 0.0010581200000000, -0.0000156300000000, -0.0001152100000000 ] - [ 0.0011607400000000, -0.0002902000000000, 0.0002245700000000 ] - [ 0.0005507900000000, -0.0009016600000000, 0.0004642600000000 ] - [ 0.0031429200000000, 0.0019141700000000, -0.0039121000000000 ] - [ -0.0003258900000000, 0.0002136600000000, 0.0002055900000000 ] - [ 0.0087923800000000, 0.0054725800000000, -0.0063267400000000 ] - [ 0.0012603500000000, 0.0001253900000000, -0.0003147800000000 ] - [ 0.0009698800000000, 0.0002360000000000, 0.0003941200000000 ] - [ -0.0003020600000000, -0.0002913800000000, 0.0005416700000000 ] - [ -0.0033887500000000, -0.0081530400000000, 0.0042963900000000 ] - [ 0.0004677900000000, -0.0002965700000000, -0.0000288300000000 ] - [ 0.0011719600000000, 0.0078905600000000, 0.0032170900000000 ] - [ -0.0000767000000000, -0.0004643200000000, -0.0002783500000000 ] - [ 0.0001675800000000, -0.0016987500000000, -0.0000079000000000 ] - [ 0.0005400900000000, 0.0002644300000000, 0.0006036400000000 ] - [ 0.0003718400000000, -0.0008164500000000, -0.0015414800000000 ] - [ -0.0001952600000000, -0.0001355600000000, 0.0003145700000000 ] - [ 0.0013650300000000, 0.0001634300000000, -0.0032490800000000 ] - [ -0.0001578900000000, 0.0004816300000000, 0.0003737800000000 ] - [ -0.0001088500000000, -0.0003162200000000, -0.0049615200000000 ] - [ -0.0008498000000000, 0.0003896700000000, -0.0005798600000000 ] - [ 0.0000204400000000, 0.0002140900000000, 0.0018982300000000 ] - [ -0.0000008700000000, 0.0002910200000000, 0.0004916200000000 ] - [ -0.0043117100000000, 0.0077233300000000, 0.0144725200000000 ] - [ -0.0002539400000000, 0.0000943100000000, 0.0003936300000000 ] - [ -0.0012559500000000, 0.0002920900000000, 0.0032018100000000 ] - [ -0.0006771100000000, 0.0003246000000000, 0.0004612700000000 ] - [ 0.0030949400000000, -0.0020945400000000, -0.0009955400000000 ] - [ 0.0004295900000000, 0.0005513100000000, -0.0001729600000000 ] - [ -0.0021466000000000, 0.0070711700000000, -0.0033771700000000 ] - [ 0.0005490200000000, -0.0003022800000000, 0.0004119500000000 ] - [ 0.0000289800000000, 0.0002095200000000, -0.0005748800000000 ] - [ -0.0002741200000000, 0.0003478700000000, 0.0000985300000000 ] - [ -0.0020963300000000, 0.0025946000000000, -0.0062935800000000 ] - [ -0.0006626600000000, 0.0001548600000000, 0.0000187900000000 ] - [ -0.0006870100000000, 0.0000717300000000, -0.0010140800000000 ] - [ -0.0009227400000000, 0.0011594800000000, -0.0003634600000000 ] - [ -0.0009248200000000, -0.0002869100000000, -0.0008875700000000 ] - [ -0.0002524000000000, -0.0006075800000000, -0.0009112900000000 ] - [ -0.0052399900000000, 0.0032037200000000, 0.0024240100000000 ] - [ 0.0003865600000000, -0.0003137200000000, 0.0002292200000000 ]- atom: 1 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ -0.0896664900000000, -0.0145412700000000, 0.0855615500000000 ] - [ 0.0007861000000000, -0.0001870900000000, -0.0002469700000000 ] - [ 0.0015117800000000, -0.0004292300000000, -0.0025537800000000 ] - [ 0.0001762400000000, 0.0002222300000000, -0.0000350000000000 ] - [ -0.0014108000000000, 0.0026459100000000, 0.0001267000000000 ] - [ -0.0003953100000000, -0.0002448200000000, -0.0001289100000000 ] - [ -0.0002499200000000, -0.0015760000000000, 0.0050140800000000 ] - [ 0.0006574600000000, -0.0008275100000000, -0.0003516900000000 ] - [ -0.0026800200000000, 0.0027885300000000, 0.0010793500000000 ] - [ -0.0003903500000000, 0.0000667400000000, -0.0003474600000000 ] - [ 0.0006634000000000, -0.0013573000000000, 0.0001521900000000 ] - [ 0.0006022500000000, 0.0002256300000000, 0.0005464300000000 ] - [ -0.0025879000000000, -0.0008389600000000, -0.0032400900000000 ] - [ -0.0001261900000000, 0.0006516600000000, -0.0018728300000000 ] - [ 0.0019672000000000, 0.0019125100000000, -0.0016202400000000 ] - [ -0.0002941800000000, -0.0000812100000000, 0.0009932500000000 ] - [ -0.0029973300000000, 0.0011195100000000, -0.0022294000000000 ] - [ -0.0000810500000000, -0.0004167000000000, -0.0017812500000000 ] - [ 0.0068181400000000, -0.0023825700000000, -0.0060009500000000 ] - [ -0.0004086600000000, 0.0004704800000000, 0.0009306600000000 ] - [ 0.0016635200000000, 0.0018664000000000, -0.0008079100000000 ] - [ -0.0004185100000000, 0.0003784400000000, 0.0017019800000000 ] - [ 0.0076697200000000, -0.0119038400000000, -0.0091674400000000 ] - [ -0.0005770700000000, 0.0000568600000000, 0.0004769600000000 ] - [ 0.0030380700000000, 0.0013577300000000, -0.0106242500000000 ] - [ -0.0008926100000000, 0.0001391700000000, -0.0004452000000000 ] - [ 0.0105095100000000, 0.0311717000000000, -0.0113389900000000 ] - [ 0.0002625100000000, 0.0000377100000000, 0.0005596500000000 ] - [ -0.0004072500000000, -0.0004724600000000, -0.0011859800000000 ] - [ -0.0008004700000000, 0.0007215900000000, 0.0010315400000000 ] - [ 0.0100459200000000, -0.0027113000000000, 0.0084549600000000 ] - [ 0.0021521900000000, 0.0008517800000000, 0.0008451100000000 ] - [ 0.0049781300000000, -0.0033319500000000, 0.0177181500000000 ] - [ 0.0003757900000000, 0.0001387900000000, -0.0008746600000000 ] - [ -0.0244646800000000, 0.0061761700000000, -0.0136534800000000 ] - [ -0.0002491700000000, 0.0003442200000000, -0.0014373200000000 ] - [ -0.0017083600000000, -0.0010920900000000, 0.0003171400000000 ] - [ -0.0001225200000000, -0.0000365600000000, 0.0007607500000000 ] - [ 0.0017935000000000, -0.0002439900000000, 0.0002305500000000 ] - [ -0.0003334200000000, -0.0010188400000000, -0.0001070700000000 ] - [ 0.0017776800000000, -0.0007274400000000, -0.0010044900000000 ] - [ 0.0010567400000000, -0.0001628300000000, -0.0003569200000000 ] - [ -0.0035415100000000, -0.0018913700000000, -0.0018959900000000 ] - [ -0.0024454000000000, -0.0006549600000000, -0.0009667100000000 ] - [ -0.0002816200000000, 0.0015748000000000, -0.0052399400000000 ] - [ -0.0010726200000000, 0.0002767000000000, 0.0002576600000000 ] - [ -0.0000162000000000, 0.0013307100000000, 0.0020641800000000 ] - [ -0.0002914600000000, 0.0004956400000000, -0.0004546600000000 ] - [ -0.0016717300000000, -0.0006040700000000, 0.0049112100000000 ] - [ -0.0001152000000000, -0.0004543200000000, 0.0005483600000000 ] - [ -0.0008384900000000, -0.0008459500000000, -0.0030751500000000 ] - [ -0.0000060000000000, -0.0003074700000000, 0.0000801000000000 ] - [ -0.0029867500000000, 0.0104873200000000, -0.0087268500000000 ] - [ -0.0004871200000000, -0.0002614100000000, -0.0003913700000000 ] - [ 0.0005616000000000, -0.0000770400000000, 0.0007026500000000 ] - [ 0.0004243100000000, 0.0000128100000000, -0.0005051600000000 ] - [ 0.0569647200000000, 0.0196737000000000, -0.0436868400000000 ] - [ -0.0004096100000000, -0.0003954300000000, 0.0001846200000000 ] - [ 0.0071054300000000, 0.0035222400000000, 0.0018639000000000 ] - [ 0.0006101100000000, 0.0002479500000000, 0.0007513000000000 ] - [ -0.0010507400000000, 0.0002853900000000, 0.0012652500000000 ] - [ 0.0013400100000000, 0.0003116600000000, 0.0002423300000000 ] - [ 0.0205974600000000, -0.0183789800000000, -0.0083214900000000 ] - [ -0.0008080600000000, -0.0001499600000000, -0.0009627800000000 ] - [ -0.0001567500000000, -0.0007143600000000, -0.0000267500000000 ] - [ 0.0004544200000000, -0.0001025800000000, -0.0002674000000000 ] - [ -0.0028362700000000, -0.0012562500000000, 0.0038255200000000 ] - [ 0.0006392800000000, 0.0004282200000000, -0.0002931300000000 ] - [ -0.0068873700000000, -0.0049685600000000, 0.0055269900000000 ] - [ 0.0006992000000000, 0.0004241400000000, -0.0005244200000000 ] - [ -0.0012122500000000, -0.0004047000000000, 0.0006923100000000 ] - [ 0.0000590600000000, 0.0001269000000000, 0.0005380900000000 ] - [ 0.0040895500000000, 0.0073461000000000, -0.0036285600000000 ] - [ 0.0002325700000000, -0.0004999500000000, 0.0006297300000000 ] - [ -0.0018662400000000, -0.0086797300000000, -0.0038151800000000 ] - [ -0.0006201200000000, -0.0003313200000000, -0.0003209800000000 ] - [ 0.0007291700000000, 0.0021661500000000, 0.0009219600000000 ] - [ 0.0003534900000000, 0.0002041200000000, 0.0003141500000000 ] - [ -0.0001656500000000, 0.0004130900000000, 0.0008622100000000 ] - [ 0.0004009300000000, -0.0002649200000000, -0.0009857400000000 ] - [ -0.0006794700000000, 0.0006245200000000, 0.0038468500000000 ] - [ 0.0008577200000000, 0.0003148700000000, 0.0002258000000000 ] - [ -0.0007770400000000, 0.0007837900000000, 0.0040356900000000 ] - [ -0.0000449700000000, 0.0000798300000000, -0.0003390700000000 ] - [ -0.0002281400000000, 0.0001873900000000, -0.0012227300000000 ] - [ -0.0002045800000000, 0.0001110800000000, 0.0001828300000000 ] - [ 0.0036746000000000, -0.0080866000000000, -0.0144282300000000 ] - [ 0.0000042900000000, 0.0000727200000000, 0.0006837000000000 ] - [ -0.0006792600000000, 0.0002590000000000, -0.0023668000000000 ] - [ -0.0012790600000000, 0.0002246900000000, 0.0003773400000000 ] - [ -0.0035170900000000, 0.0026566700000000, -0.0002712800000000 ] - [ -0.0008856700000000, 0.0000409400000000, -0.0010878300000000 ] - [ 0.0030517400000000, -0.0075261000000000, 0.0043010700000000 ] - [ 0.0003481100000000, -0.0001669900000000, 0.0005080800000000 ] - [ -0.0003326300000000, 0.0004282400000000, 0.0006554600000000 ] - [ -0.0000375300000000, 0.0002901500000000, -0.0000109500000000 ] - [ 0.0018967000000000, -0.0029883100000000, 0.0069657300000000 ] - [ 0.0004511500000000, -0.0005549900000000, 0.0006558100000000 ] - [ -0.0003151100000000, 0.0009256800000000, 0.0008199700000000 ] - [ -0.0000793100000000, -0.0001588500000000, 0.0001666100000000 ] - [ 0.0004684900000000, -0.0003019500000000, -0.0003746500000000 ] - [ -0.0001980900000000, 0.0000220300000000, -0.0003543400000000 ] - [ 0.0057044800000000, -0.0038071400000000, -0.0011835200000000 ] - [ 0.0000629000000000, -0.0002747600000000, 0.0010323400000000 ]- atom: 7 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0015594600000000, 0.0008973600000000, 0.0005717100000000 ] - [ 0.0029749200000000, -0.0010695600000000, 0.0001727100000000 ] - [ 0.0018822300000000, -0.0008271800000000, -0.0017215200000000 ] - [ 0.0021121900000000, 0.0007982000000000, 0.0008378500000000 ] - [ 0.0008160900000000, -0.0030044700000000, 0.0035486900000000 ] - [ 0.0011850400000000, -0.0003735500000000, 0.0010277700000000 ] - [ -0.0694562500000000, -0.0209606400000000, -0.0426197400000000 ] - [ 0.0022494000000000, -0.0006100300000000, 0.0011636700000000 ] - [ -0.0067438600000000, -0.0068702000000000, -0.0007235300000000 ] - [ 0.0018426700000000, 0.0002716700000000, 0.0008218900000000 ] - [ 0.0035505200000000, -0.0003558200000000, 0.0014422000000000 ] - [ 0.0118135800000000, 0.0115779700000000, -0.0056533400000000 ] - [ 0.0021106100000000, -0.0006007000000000, 0.0005526600000000 ] - [ -0.0019974000000000, 0.0003664000000000, -0.0015041800000000 ] - [ -0.0063787400000000, 0.0006235800000000, -0.0056861900000000 ] - [ 0.0021153900000000, 0.0005066900000000, 0.0017098700000000 ] - [ 0.0027463300000000, 0.0003035900000000, 0.0013519200000000 ] - [ -0.0008150400000000, -0.0016806000000000, -0.0012384700000000 ] - [ -0.0038678600000000, 0.0009645800000000, -0.0024393400000000 ] - [ 0.0016805800000000, -0.0001828100000000, 0.0010240400000000 ] - [ 0.0022862400000000, 0.0004516500000000, 0.0001053200000000 ] - [ -0.0031274700000000, -0.0005374600000000, -0.0000136400000000 ] - [ 0.0024927900000000, 0.0022757200000000, -0.0003648300000000 ] - [ 0.0032164500000000, -0.0008872500000000, 0.0022167400000000 ] - [ 0.0013322200000000, 0.0010768700000000, -0.0006561400000000 ] - [ -0.0010394400000000, -0.0027525900000000, 0.0017696300000000 ] - [ -0.0012691100000000, 0.0099524100000000, 0.0127475400000000 ] - [ 0.0027019200000000, 0.0001227200000000, 0.0015072700000000 ] - [ 0.0029554900000000, 0.0000409500000000, 0.0019572400000000 ] - [ -0.0110935100000000, 0.0097380000000000, 0.0209588800000000 ] - [ 0.0034357400000000, -0.0001536700000000, 0.0025285000000000 ] - [ 0.0079403800000000, -0.0209722100000000, -0.0145278400000000 ] - [ 0.0029033700000000, -0.0015992700000000, 0.0005078700000000 ] - [ 0.0017037900000000, 0.0012914600000000, -0.0009121600000000 ] - [ -0.0041201100000000, 0.0083014800000000, -0.0070720400000000 ] - [ 0.0035076200000000, -0.0000067600000000, 0.0012233400000000 ] - [ 0.0196544500000000, -0.0010899600000000, -0.0126102900000000 ] - [ 0.0049054500000000, 0.0013046200000000, 0.0029108200000000 ] - [ -0.0075684900000000, 0.0017739400000000, -0.0028198600000000 ] - [ 0.0031794700000000, -0.0002030800000000, 0.0009717100000000 ] - [ 0.0066319600000000, -0.0012629600000000, 0.0014052800000000 ] - [ -0.0014588500000000, -0.0005968500000000, -0.0003876000000000 ] - [ -0.0020409400000000, -0.0011046500000000, -0.0009161200000000 ] - [ 0.0021145000000000, 0.0056697800000000, 0.0029567000000000 ] - [ -0.0011635300000000, 0.0004943400000000, -0.0011501200000000 ] - [ -0.0015172900000000, 0.0016702600000000, 0.0083777700000000 ] - [ -0.0017612400000000, -0.0011377800000000, 0.0055612400000000 ] - [ -0.0020948100000000, 0.0006382300000000, -0.0022491200000000 ] - [ -0.0021647300000000, -0.0006894600000000, 0.0002877300000000 ] - [ 0.0006856600000000, -0.0002137700000000, 0.0005557400000000 ] - [ -0.0011972300000000, 0.0008812600000000, -0.0006451000000000 ] - [ -0.0006555200000000, -0.0009811900000000, 0.0000858200000000 ] - [ -0.0018316900000000, 0.0009154900000000, -0.0016896200000000 ] - [ -0.0017360400000000, -0.0004097200000000, -0.0009139700000000 ] - [ -0.0016870500000000, 0.0000717200000000, -0.0012906200000000 ] - [ -0.0010884000000000, -0.0017125700000000, -0.0053335000000000 ] - [ 0.0002105500000000, -0.0038404500000000, -0.0016820800000000 ] - [ -0.0014053000000000, -0.0004612700000000, 0.0001383700000000 ] - [ 0.0058814200000000, -0.0014997000000000, 0.0031120500000000 ] - [ -0.0010270700000000, 0.0000010600000000, -0.0006996200000000 ] - [ 0.0023113600000000, 0.0002497500000000, 0.0013155800000000 ] - [ -0.0010856600000000, 0.0000785800000000, 0.0003567800000000 ] - [ -0.0022018200000000, -0.0001263800000000, -0.0017861200000000 ] - [ -0.0057823500000000, 0.0049280100000000, -0.0002558600000000 ] - [ 0.0043328100000000, -0.0034682400000000, 0.0037329600000000 ] - [ -0.0010037000000000, -0.0000424500000000, -0.0008132200000000 ] - [ -0.0007790500000000, -0.0006133200000000, 0.0002106300000000 ] - [ -0.0000577200000000, 0.0025177100000000, -0.0019745500000000 ] - [ 0.0066397100000000, -0.0031528800000000, -0.0032362600000000 ] - [ -0.0006557100000000, 0.0003214600000000, -0.0005478500000000 ] - [ 0.0037046700000000, 0.0011407100000000, 0.0020330500000000 ] - [ -0.0024736400000000, -0.0004841400000000, -0.0007353600000000 ] - [ -0.0007344100000000, 0.0001289100000000, -0.0010397600000000 ] - [ 0.0003941600000000, -0.0005586100000000, 0.0010915500000000 ] - [ 0.0179997000000000, -0.0007774700000000, 0.0300836400000000 ] - [ -0.0015395400000000, -0.0005806700000000, -0.0012202500000000 ] - [ -0.0042437200000000, -0.0009265600000000, 0.0005651200000000 ] - [ -0.0040829100000000, -0.0008744900000000, -0.0018433400000000 ] - [ -0.0013396200000000, -0.0003973700000000, -0.0007011200000000 ] - [ 0.0225034500000000, 0.0138829300000000, 0.0025351600000000 ] - [ -0.0004604100000000, 0.0003094500000000, -0.0001226300000000 ] - [ 0.0008189800000000, 0.0006696900000000, -0.0000954400000000 ] - [ -0.0005336600000000, 0.0002137400000000, -0.0003684900000000 ] - [ -0.0013380800000000, 0.0008311600000000, -0.0013527800000000 ] - [ 0.0033770300000000, 0.0002956800000000, 0.0004428100000000 ] - [ -0.0013305100000000, -0.0001120800000000, -0.0002363000000000 ] - [ 0.0018970100000000, -0.0030312300000000, 0.0030194400000000 ] - [ -0.0028714500000000, 0.0006833300000000, -0.0009106500000000 ] - [ -0.0027242500000000, 0.0007842400000000, 0.0003288400000000 ] - [ -0.0015412800000000, -0.0009792100000000, 0.0013586500000000 ] - [ -0.0017878600000000, 0.0002584600000000, -0.0010185100000000 ] - [ 0.0002339900000000, 0.0063303100000000, 0.0054538500000000 ] - [ -0.0025120900000000, -0.0014446700000000, -0.0029655100000000 ] - [ -0.0010795000000000, 0.0001591700000000, -0.0004251000000000 ] - [ -0.0053204900000000, 0.0049639700000000, 0.0049793200000000 ] - [ -0.0013884900000000, -0.0001574200000000, -0.0003988300000000 ] - [ 0.0014505100000000, -0.0009213100000000, 0.0025335300000000 ] - [ -0.0012381900000000, 0.0001815700000000, -0.0004921200000000 ] - [ -0.0019021300000000, 0.0010210200000000, -0.0009061700000000 ] - [ 0.0059796400000000, -0.0041646600000000, -0.0007606100000000 ] - [ -0.0016504700000000, -0.0003108000000000, -0.0009817000000000 ] - [ 0.0044263500000000, 0.0008795400000000, -0.0041325000000000 ] - [ 0.0026861500000000, -0.0020403000000000, 0.0002679400000000 ] - [ -0.0011682800000000, 0.0000010400000000, 0.0004222100000000 ]- atom: 7 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ -0.0006785100000000, -0.0010778100000000, -0.0006124300000000 ] - [ -0.0020925800000000, 0.0008959900000000, -0.0002187400000000 ] - [ -0.0009902400000000, 0.0010070300000000, 0.0016672400000000 ] - [ -0.0012092100000000, -0.0006085000000000, -0.0008875100000000 ] - [ -0.0017236700000000, 0.0028439500000000, -0.0035052300000000 ] - [ -0.0020725300000000, 0.0001863300000000, -0.0009664600000000 ] - [ 0.0698671000000000, 0.0215601300000000, 0.0426599700000000 ] - [ -0.0025600900000000, -0.0004736900000000, -0.0002707900000000 ] - [ 0.0061473800000000, 0.0069200200000000, 0.0008160500000000 ] - [ -0.0024140700000000, -0.0002004800000000, -0.0007278100000000 ] - [ -0.0029728100000000, 0.0002807300000000, -0.0015313700000000 ] - [ -0.0113480400000000, -0.0118031000000000, 0.0055942300000000 ] - [ -0.0018040300000000, -0.0004866600000000, -0.0014461800000000 ] - [ 0.0023114600000000, -0.0014536500000000, 0.0006228800000000 ] - [ 0.0060651100000000, 0.0004626600000000, 0.0065857300000000 ] - [ -0.0024278100000000, 0.0005800700000000, -0.0008179900000000 ] - [ -0.0021897600000000, -0.0002368900000000, -0.0014536400000000 ] - [ 0.0014099400000000, 0.0017430100000000, 0.0011847400000000 ] - [ 0.0033014000000000, -0.0010364500000000, 0.0025446100000000 ] - [ -0.0022524900000000, 0.0001138300000000, -0.0009299000000000 ] - [ -0.0019783000000000, 0.0006329400000000, -0.0009997200000000 ] - [ 0.0034532000000000, 0.0016314600000000, -0.0008896600000000 ] - [ -0.0033661700000000, -0.0020767300000000, 0.0004076600000000 ] - [ -0.0041278600000000, 0.0010748500000000, -0.0021800000000000 ] - [ -0.0011877300000000, -0.0011094500000000, -0.0006129200000000 ] - [ 0.0012075300000000, 0.0027449900000000, -0.0030420000000000 ] - [ 0.0011224400000000, -0.0099907100000000, -0.0115368200000000 ] - [ -0.0028485500000000, -0.0000942900000000, -0.0002407500000000 ] - [ -0.0029681100000000, 0.0005125100000000, -0.0007440300000000 ] - [ 0.0110747100000000, -0.0091490000000000, -0.0196301200000000 ] - [ -0.0034436100000000, -0.0003981600000000, -0.0013020400000000 ] - [ -0.0080301000000000, 0.0205332100000000, 0.0158523500000000 ] - [ -0.0027575900000000, 0.0016283900000000, -0.0017681700000000 ] - [ -0.0015560400000000, -0.0012597300000000, -0.0003453200000000 ] - [ 0.0039949000000000, -0.0078206000000000, 0.0058312000000000 ] - [ -0.0035081100000000, 0.0005623300000000, -0.0024477800000000 ] - [ -0.0196976700000000, 0.0009471000000000, 0.0138127800000000 ] - [ -0.0050682000000000, -0.0013492700000000, -0.0016584400000000 ] - [ 0.0075983800000000, -0.0023345500000000, 0.0015880600000000 ] - [ -0.0031701200000000, -0.0003501200000000, -0.0021933800000000 ] - [ -0.0041912200000000, 0.0002193700000000, -0.0023894000000000 ] - [ 0.0034209000000000, 0.0000533900000000, -0.0004500400000000 ] - [ 0.0010377800000000, 0.0001028200000000, 0.0007177400000000 ] - [ -0.0031275800000000, -0.0067088800000000, -0.0031701100000000 ] - [ 0.0013754000000000, -0.0000929000000000, 0.0004731700000000 ] - [ 0.0017450600000000, -0.0012756400000000, -0.0091028600000000 ] - [ 0.0010537500000000, 0.0019360800000000, -0.0061374500000000 ] - [ 0.0014010100000000, 0.0001603700000000, 0.0016547600000000 ] - [ 0.0002127900000000, 0.0001458600000000, 0.0005530500000000 ] - [ -0.0026542600000000, -0.0003314900000000, 0.0002816100000000 ] - [ 0.0015102400000000, -0.0015243000000000, 0.0005541800000000 ] - [ 0.0009687800000000, 0.0003394400000000, -0.0001786200000000 ] - [ 0.0009410800000000, -0.0013795600000000, 0.0007706600000000 ] - [ 0.0008402500000000, -0.0000592300000000, -0.0000060600000000 ] - [ 0.0019403300000000, 0.0000928200000000, 0.0002185700000000 ] - [ 0.0013112200000000, 0.0018676600000000, 0.0042100400000000 ] - [ -0.0005141300000000, 0.0032179400000000, 0.0017734300000000 ] - [ 0.0010956800000000, -0.0001786300000000, -0.0000543800000000 ] - [ -0.0048664900000000, 0.0022470300000000, -0.0026782400000000 ] - [ 0.0020298200000000, 0.0009981300000000, 0.0008987900000000 ] - [ -0.0018637100000000, 0.0003427400000000, -0.0000527400000000 ] - [ 0.0015365800000000, 0.0005103900000000, 0.0009087400000000 ] - [ 0.0024498200000000, -0.0000417000000000, 0.0007055700000000 ] - [ 0.0060559300000000, -0.0051121900000000, -0.0008288800000000 ] - [ -0.0033522300000000, 0.0024874200000000, -0.0035458300000000 ] - [ 0.0020041700000000, -0.0009570600000000, 0.0010100100000000 ] - [ 0.0010859800000000, 0.0012577400000000, -0.0002912900000000 ] - [ 0.0003645600000000, -0.0018963900000000, 0.0019055400000000 ] - [ -0.0047113500000000, 0.0037069700000000, 0.0024154500000000 ] - [ 0.0026120700000000, 0.0002266500000000, -0.0002912600000000 ] - [ -0.0039592000000000, -0.0013091600000000, -0.0009495400000000 ] - [ 0.0022255900000000, 0.0003186900000000, 0.0018142400000000 ] - [ 0.0014350300000000, -0.0009226200000000, 0.0016395500000000 ] - [ 0.0003035500000000, -0.0002393800000000, -0.0004959500000000 ] - [ -0.0186485700000000, 0.0000406700000000, -0.0298047900000000 ] - [ 0.0008403600000000, -0.0002148100000000, 0.0006177600000000 ] - [ 0.0051227400000000, 0.0014042300000000, 0.0003571600000000 ] - [ 0.0049947100000000, 0.0013545300000000, 0.0027727500000000 ] - [ 0.0015460500000000, -0.0000018300000000, 0.0000319400000000 ] - [ -0.0228257700000000, -0.0152543500000000, -0.0038025600000000 ] - [ 0.0011603900000000, 0.0004874300000000, 0.0007274400000000 ] - [ -0.0001255300000000, 0.0001184700000000, 0.0006975300000000 ] - [ -0.0003567600000000, 0.0002548800000000, -0.0005452500000000 ] - [ 0.0004407300000000, -0.0003690600000000, 0.0004364300000000 ] - [ -0.0035878000000000, 0.0001003700000000, 0.0002328100000000 ] - [ 0.0011211600000000, 0.0005131500000000, 0.0009131600000000 ] - [ -0.0020985600000000, 0.0031830200000000, -0.0019198900000000 ] - [ 0.0026329000000000, -0.0005203400000000, 0.0019938500000000 ] - [ 0.0007701600000000, -0.0002352000000000, 0.0005087200000000 ] - [ -0.0004152400000000, 0.0015254200000000, -0.0005200000000000 ] - [ 0.0013373900000000, 0.0003295700000000, -0.0002484000000000 ] - [ -0.0013103600000000, -0.0055697800000000, -0.0063886300000000 ] - [ 0.0034523700000000, 0.0009906700000000, 0.0039363900000000 ] - [ 0.0019708500000000, -0.0006236100000000, 0.0013406900000000 ] - [ 0.0050123500000000, -0.0043094700000000, -0.0048942200000000 ] - [ 0.0010768000000000, 0.0008029400000000, 0.0004894000000000 ] - [ -0.0016353500000000, 0.0005485600000000, -0.0018792700000000 ] - [ 0.0010323900000000, -0.0005821400000000, 0.0011662200000000 ] - [ 0.0009029300000000, -0.0000223200000000, 0.0007111700000000 ] - [ -0.0069629300000000, 0.0051532100000000, 0.0005644100000000 ] - [ 0.0012051700000000, -0.0002809100000000, -0.0002823700000000 ] - [ -0.0048727400000000, -0.0014715100000000, 0.0028411800000000 ] - [ -0.0022277000000000, 0.0014860100000000, 0.0010122000000000 ] - [ 0.0016211300000000, -0.0005918600000000, 0.0008434700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026811600000000, 0.0024834200000000, 0.0020597200000000 ] - [ -0.0003483800000000, 0.0008473500000000, -0.0000530800000000 ] - [ -0.0010113700000000, 0.0016624500000000, 0.0008406000000000 ] - [ 0.0019304700000000, 0.0022130400000000, -0.0000691200000000 ] - [ -0.0002744900000000, -0.0021920400000000, -0.0002338400000000 ] - [ 0.0002570200000000, -0.0012648900000000, 0.0016222600000000 ] - [ -0.0211110300000000, -0.0855267900000000, 0.0117893300000000 ] - [ -0.0002234700000000, -0.0008697200000000, 0.0003805400000000 ] - [ -0.0012452400000000, 0.0130041700000000, -0.0001548000000000 ] - [ -0.0001962700000000, 0.0002698500000000, 0.0000740100000000 ] - [ -0.0008885600000000, -0.0000009500000000, -0.0007588700000000 ] - [ 0.0094991200000000, -0.0030522700000000, -0.0067627600000000 ] - [ 0.0002139300000000, -0.0001769200000000, -0.0005767000000000 ] - [ -0.0007559300000000, 0.0045378600000000, -0.0005399900000000 ] - [ -0.0002350400000000, -0.0032756600000000, 0.0019725700000000 ] - [ -0.0001189100000000, 0.0001821000000000, 0.0005030400000000 ] - [ 0.0008940500000000, -0.0001345000000000, 0.0003177400000000 ] - [ -0.0040641100000000, -0.0046961500000000, -0.0067709600000000 ] - [ 0.0012738100000000, 0.0016709600000000, -0.0005213300000000 ] - [ -0.0006312700000000, 0.0001079400000000, -0.0001596900000000 ] - [ 0.0000671900000000, 0.0009582300000000, -0.0003331800000000 ] - [ -0.0009370200000000, 0.0056242800000000, 0.0003623100000000 ] - [ 0.0021985900000000, -0.0039276600000000, -0.0002889100000000 ] - [ -0.0018321200000000, -0.0012446200000000, -0.0003899300000000 ] - [ 0.0005824600000000, 0.0006885100000000, -0.0001707600000000 ] - [ -0.0035195600000000, 0.0030328400000000, -0.0004454300000000 ] - [ 0.0035068900000000, 0.0013666700000000, 0.0085282500000000 ] - [ -0.0002776400000000, -0.0005828500000000, 0.0004161400000000 ] - [ -0.0006886400000000, 0.0000771000000000, 0.0007120800000000 ] - [ -0.0019815900000000, 0.0092282200000000, 0.0291716500000000 ] - [ 0.0012026100000000, -0.0008819700000000, 0.0007709800000000 ] - [ -0.0056865400000000, 0.0048942100000000, 0.0047588900000000 ] - [ -0.0005212200000000, 0.0013320300000000, -0.0014490000000000 ] - [ 0.0015619200000000, 0.0012403100000000, -0.0014643300000000 ] - [ 0.0166176600000000, 0.0303036100000000, -0.0038533600000000 ] - [ -0.0005222900000000, 0.0004813900000000, -0.0007489600000000 ] - [ -0.0177680000000000, -0.0052005500000000, 0.0126971600000000 ] - [ 0.0006626800000000, -0.0002976700000000, 0.0009869300000000 ] - [ 0.0008290700000000, 0.0020574400000000, -0.0052889900000000 ] - [ 0.0005334400000000, 0.0001057500000000, -0.0004585400000000 ] - [ -0.0000114300000000, 0.0104540800000000, -0.0025627600000000 ] - [ 0.0007759600000000, -0.0002162400000000, -0.0004135400000000 ] - [ -0.0007600900000000, -0.0006135800000000, -0.0001469700000000 ] - [ 0.0006235800000000, -0.0020392900000000, -0.0011458600000000 ] - [ -0.0001908700000000, 0.0004194900000000, -0.0004566800000000 ] - [ 0.0007887500000000, 0.0008893300000000, -0.0022802400000000 ] - [ 0.0012313800000000, 0.0050181400000000, -0.0041635600000000 ] - [ -0.0004393000000000, 0.0007710200000000, -0.0005064200000000 ] - [ -0.0012037000000000, -0.0006060500000000, 0.0002618200000000 ] - [ 0.0016833600000000, -0.0032008500000000, 0.0010972900000000 ] - [ 0.0004523500000000, -0.0006897200000000, 0.0004973400000000 ] - [ 0.0000183900000000, -0.0005048700000000, -0.0003637000000000 ] - [ 0.0000057600000000, -0.0027833200000000, -0.0000766300000000 ] - [ -0.0009022400000000, -0.0008377900000000, -0.0004984400000000 ] - [ 0.0008260100000000, 0.0002891300000000, -0.0006235100000000 ] - [ -0.0031150900000000, -0.0021765500000000, -0.0071180000000000 ] - [ -0.0008574600000000, 0.0001276900000000, -0.0016740700000000 ] - [ 0.0001168200000000, -0.0000851900000000, 0.0000268100000000 ] - [ -0.0015280000000000, 0.0231106500000000, -0.0211389800000000 ] - [ 0.0005917500000000, 0.0006169200000000, 0.0000839500000000 ] - [ -0.0004394600000000, -0.0022143700000000, 0.0020733300000000 ] - [ 0.0001207200000000, -0.0000970300000000, 0.0007624500000000 ] - [ -0.0013374200000000, 0.0004590700000000, -0.0011116700000000 ] - [ 0.0023384300000000, -0.0012914300000000, -0.0000822300000000 ] - [ -0.0001302600000000, -0.0002555700000000, 0.0012931500000000 ] - [ 0.0004175100000000, -0.0003944300000000, 0.0001284700000000 ] - [ -0.0003066700000000, 0.0003605100000000, -0.0000480800000000 ] - [ 0.0019445100000000, -0.0002486100000000, 0.0004945100000000 ] - [ 0.0009135700000000, 0.0012025200000000, -0.0012248900000000 ] - [ 0.0010959600000000, 0.0005059500000000, -0.0003500900000000 ] - [ 0.0003968000000000, 0.0001246100000000, 0.0009194400000000 ] - [ -0.0009299000000000, -0.0003428300000000, 0.0000997500000000 ] - [ 0.0003997100000000, -0.0010562500000000, 0.0007479000000000 ] - [ 0.0002062500000000, -0.0016931900000000, 0.0007417500000000 ] - [ -0.0027426500000000, 0.0019021200000000, -0.0046905200000000 ] - [ -0.0002998900000000, -0.0000924700000000, -0.0001446000000000 ] - [ 0.0053750900000000, 0.0032023800000000, 0.0006251700000000 ] - [ -0.0003477200000000, 0.0013677600000000, 0.0006824600000000 ] - [ 0.0004543600000000, -0.0001203000000000, -0.0004300600000000 ] - [ 0.0175577900000000, 0.0202429300000000, 0.0049591300000000 ] - [ 0.0003127800000000, -0.0001476900000000, 0.0000126600000000 ] - [ 0.0010515200000000, -0.0014879300000000, 0.0001929400000000 ] - [ -0.0009185800000000, -0.0007896500000000, -0.0008328000000000 ] - [ 0.0007649900000000, -0.0009254300000000, 0.0000096600000000 ] - [ -0.0011645800000000, -0.0032209200000000, 0.0022827800000000 ] - [ -0.0001565600000000, 0.0000317800000000, 0.0001947100000000 ] - [ -0.0071238000000000, -0.0027284500000000, -0.0015085000000000 ] - [ 0.0005144800000000, -0.0000436600000000, 0.0007503500000000 ] - [ -0.0007663600000000, -0.0001732800000000, 0.0006529700000000 ] - [ -0.0024443700000000, -0.0015161600000000, 0.0013933600000000 ] - [ -0.0003499300000000, 0.0009887600000000, -0.0003349800000000 ] - [ 0.0046524700000000, 0.0044685000000000, -0.0023289700000000 ] - [ -0.0012742200000000, -0.0001788300000000, -0.0008572800000000 ] - [ 0.0005470300000000, 0.0007699400000000, 0.0004482100000000 ] - [ 0.0049316700000000, -0.0032440400000000, -0.0041686800000000 ] - [ -0.0005230700000000, 0.0003419700000000, 0.0001263700000000 ] - [ -0.0033556100000000, -0.0073977700000000, 0.0059603000000000 ] - [ 0.0000031900000000, -0.0003182500000000, 0.0004074200000000 ] - [ -0.0003662100000000, 0.0003368500000000, -0.0001146600000000 ] - [ 0.0013597000000000, -0.0050526800000000, -0.0044836600000000 ] - [ -0.0001304200000000, 0.0001542000000000, -0.0008180700000000 ] - [ 0.0018624400000000, 0.0059936300000000, -0.0064195700000000 ] - [ -0.0002375500000000, -0.0098545400000000, -0.0018372300000000 ] - [ 0.0003450200000000, -0.0005552700000000, 0.0005577900000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017807900000000, -0.0026614300000000, -0.0020950200000000 ] - [ 0.0012446100000000, -0.0010296200000000, 0.0000059600000000 ] - [ 0.0019054400000000, -0.0014832800000000, -0.0008848800000000 ] - [ -0.0010373200000000, -0.0020288300000000, 0.0000221500000000 ] - [ -0.0006189500000000, 0.0020272400000000, 0.0002786100000000 ] - [ -0.0011480600000000, 0.0010859500000000, -0.0015731700000000 ] - [ 0.0214017400000000, 0.0845218000000000, -0.0078271600000000 ] - [ -0.0000854700000000, -0.0002127900000000, 0.0005114200000000 ] - [ 0.0007181600000000, -0.0129916300000000, 0.0002405900000000 ] - [ -0.0003706100000000, -0.0001975900000000, 0.0000219100000000 ] - [ 0.0014597200000000, -0.0000690000000000, 0.0006633400000000 ] - [ -0.0089448300000000, 0.0030300900000000, 0.0066698100000000 ] - [ 0.0000989700000000, -0.0009085700000000, -0.0003135400000000 ] - [ 0.0010642400000000, -0.0056303900000000, -0.0003579600000000 ] - [ -0.0000783100000000, 0.0043722600000000, -0.0010882000000000 ] - [ -0.0001910200000000, 0.0009025000000000, 0.0003918100000000 ] - [ -0.0003272000000000, 0.0002013500000000, -0.0004151800000000 ] - [ 0.0046327800000000, 0.0047555500000000, 0.0066671700000000 ] - [ -0.0018430300000000, -0.0017496100000000, 0.0006232200000000 ] - [ 0.0000619600000000, -0.0001773000000000, 0.0002558200000000 ] - [ 0.0002460100000000, 0.0001243900000000, -0.0005588100000000 ] - [ 0.0012265200000000, -0.0045418600000000, -0.0012551500000000 ] - [ -0.0030858300000000, 0.0040973600000000, 0.0003347500000000 ] - [ 0.0009440700000000, 0.0014187200000000, 0.0004421500000000 ] - [ -0.0004305100000000, -0.0007243200000000, -0.0010945500000000 ] - [ 0.0036643100000000, -0.0030707000000000, -0.0008282400000000 ] - [ -0.0036820500000000, -0.0014015700000000, -0.0072781800000000 ] - [ 0.0001286800000000, 0.0006140100000000, 0.0008513100000000 ] - [ 0.0006804700000000, 0.0004781300000000, 0.0005091400000000 ] - [ 0.0018671100000000, -0.0086806700000000, -0.0280015500000000 ] - [ -0.0012083900000000, 0.0003276300000000, 0.0004555700000000 ] - [ 0.0056581500000000, -0.0055387500000000, -0.0035582800000000 ] - [ 0.0006826800000000, -0.0012934900000000, 0.0001886400000000 ] - [ -0.0014205300000000, -0.0011989800000000, 0.0002009600000000 ] - [ -0.0165716000000000, -0.0296369800000000, 0.0024445900000000 ] - [ 0.0005327900000000, 0.0000721900000000, -0.0004705000000000 ] - [ 0.0176423300000000, 0.0051634700000000, -0.0114348400000000 ] - [ -0.0008057800000000, 0.0002695800000000, 0.0002835800000000 ] - [ -0.0008369200000000, -0.0025928800000000, 0.0041222000000000 ] - [ -0.0005237900000000, -0.0006586100000000, -0.0007654600000000 ] - [ 0.0026217400000000, -0.0115311600000000, 0.0015860400000000 ] - [ 0.0011877600000000, -0.0003339700000000, -0.0004336500000000 ] - [ -0.0002432800000000, -0.0003747500000000, -0.0000564000000000 ] - [ -0.0016009100000000, 0.0010801800000000, 0.0009356900000000 ] - [ 0.0004017400000000, -0.0000157500000000, -0.0002183400000000 ] - [ -0.0005865900000000, -0.0004788800000000, 0.0016357700000000 ] - [ -0.0019362800000000, -0.0042170300000000, 0.0035657300000000 ] - [ -0.0002648500000000, 0.0000435100000000, -0.0001069600000000 ] - [ -0.0007629900000000, 0.0000569800000000, 0.0005858800000000 ] - [ -0.0036524900000000, 0.0026572600000000, -0.0002464900000000 ] - [ -0.0001564400000000, 0.0000498900000000, -0.0005858400000000 ] - [ 0.0002799400000000, -0.0001425400000000, 0.0002749800000000 ] - [ -0.0009228400000000, 0.0022934900000000, -0.0008547700000000 ] - [ -0.0000051600000000, 0.0003538700000000, -0.0004277700000000 ] - [ -0.0005815900000000, -0.0001283000000000, -0.0004584900000000 ] - [ 0.0033527800000000, 0.0023355500000000, 0.0060133800000000 ] - [ 0.0005635400000000, -0.0007417500000000, 0.0017494100000000 ] - [ -0.0004182900000000, -0.0005473800000000, 0.0000597600000000 ] - [ 0.0026766300000000, -0.0208590600000000, 0.0198720700000000 ] - [ 0.0004021900000000, 0.0003640300000000, 0.0001163800000000 ] - [ 0.0008938500000000, 0.0028009200000000, -0.0008194800000000 ] - [ 0.0003241200000000, 0.0006778200000000, 0.0005050200000000 ] - [ 0.0015777100000000, -0.0006181300000000, 0.0000269500000000 ] - [ -0.0021122100000000, 0.0011541200000000, -0.0009982900000000 ] - [ 0.0011366300000000, -0.0007468200000000, -0.0010956700000000 ] - [ 0.0005804800000000, -0.0005926000000000, 0.0000713100000000 ] - [ 0.0006002800000000, 0.0002835900000000, -0.0000353900000000 ] - [ -0.0016429900000000, 0.0008928200000000, -0.0005791600000000 ] - [ 0.0010452400000000, -0.0006320700000000, 0.0003970900000000 ] - [ 0.0008749000000000, 0.0000452000000000, -0.0005028900000000 ] - [ -0.0006379700000000, -0.0002896600000000, 0.0001570900000000 ] - [ 0.0006915200000000, 0.0001825600000000, 0.0009854400000000 ] - [ 0.0003004800000000, 0.0002442500000000, -0.0001410700000000 ] - [ 0.0004988000000000, 0.0008806300000000, -0.0001278800000000 ] - [ 0.0017447700000000, -0.0027406900000000, 0.0035156800000000 ] - [ -0.0004052600000000, -0.0007181300000000, -0.0004651700000000 ] - [ -0.0044775000000000, -0.0027180200000000, 0.0003016100000000 ] - [ 0.0012456300000000, -0.0008858000000000, 0.0002377000000000 ] - [ -0.0002470700000000, -0.0002801500000000, -0.0002367100000000 ] - [ -0.0183819700000000, -0.0215336000000000, -0.0063468600000000 ] - [ 0.0003884300000000, 0.0009603600000000, 0.0005982600000000 ] - [ -0.0003431200000000, 0.0022978500000000, 0.0004201900000000 ] - [ 0.0000106900000000, 0.0012766200000000, -0.0000940400000000 ] - [ -0.0016712800000000, 0.0014117000000000, -0.0009333900000000 ] - [ 0.0009702400000000, 0.0036343600000000, -0.0016528400000000 ] - [ -0.0000566300000000, 0.0003703300000000, 0.0004805300000000 ] - [ 0.0068665700000000, 0.0028886000000000, 0.0025969900000000 ] - [ -0.0007543200000000, 0.0002054100000000, 0.0003333200000000 ] - [ -0.0012065000000000, 0.0007236300000000, 0.0001970700000000 ] - [ 0.0004836700000000, 0.0020661400000000, -0.0005446100000000 ] - [ -0.0000989500000000, -0.0004078000000000, -0.0009326500000000 ] - [ -0.0051144300000000, -0.0038327900000000, 0.0010944500000000 ] - [ 0.0021976900000000, -0.0003029100000000, 0.0018011300000000 ] - [ 0.0003573900000000, -0.0012554600000000, 0.0004763300000000 ] - [ -0.0052216900000000, 0.0038803000000000, 0.0042450200000000 ] - [ 0.0002239200000000, 0.0002877300000000, -0.0000410900000000 ] - [ 0.0031659200000000, 0.0070180800000000, -0.0052949000000000 ] - [ -0.0002139000000000, -0.0000796800000000, 0.0002564300000000 ] - [ -0.0006330200000000, 0.0006466700000000, -0.0000876300000000 ] - [ -0.0023357400000000, 0.0060322400000000, 0.0043015100000000 ] - [ -0.0003163300000000, -0.0007350400000000, -0.0004502000000000 ] - [ -0.0023063500000000, -0.0065877800000000, 0.0051510200000000 ] - [ 0.0006730800000000, 0.0092731500000000, 0.0031303700000000 ] - [ 0.0001008200000000, -0.0000254700000000, 0.0007089800000000 ]- atom: 7 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0017524300000000, 0.0011705400000000, -0.0040734900000000 ] - [ -0.0012663700000000, 0.0010201300000000, 0.0003961100000000 ] - [ -0.0011550800000000, 0.0006452700000000, 0.0022655200000000 ] - [ 0.0016159600000000, 0.0002427800000000, -0.0001325700000000 ] - [ 0.0030688400000000, -0.0049256700000000, 0.0031274300000000 ] - [ -0.0000756600000000, 0.0000073000000000, 0.0014897000000000 ] - [ -0.0126688600000000, 0.0160695400000000, -0.0987743300000000 ] - [ -0.0004417000000000, -0.0005744400000000, 0.0007237700000000 ] - [ 0.0011942300000000, 0.0034586800000000, -0.0029938900000000 ] - [ -0.0004683500000000, 0.0000440900000000, 0.0000937000000000 ] - [ -0.0009470700000000, 0.0002534500000000, -0.0009545900000000 ] - [ -0.0057118200000000, -0.0094372600000000, -0.0042782800000000 ] - [ 0.0003042700000000, -0.0003992100000000, -0.0007462200000000 ] - [ 0.0000296000000000, -0.0008169400000000, 0.0025349500000000 ] - [ -0.0033336100000000, -0.0008935600000000, 0.0095232100000000 ] - [ 0.0001115400000000, 0.0005048900000000, 0.0001208100000000 ] - [ 0.0021661900000000, 0.0007690600000000, 0.0012012200000000 ] - [ 0.0034076200000000, -0.0017050500000000, 0.0093218500000000 ] - [ -0.0019904200000000, 0.0021812000000000, 0.0039554100000000 ] - [ 0.0000269200000000, 0.0001173900000000, 0.0001279100000000 ] - [ -0.0001747100000000, 0.0006798500000000, -0.0003301600000000 ] - [ 0.0018501900000000, 0.0017137500000000, -0.0035738600000000 ] - [ -0.0037813800000000, -0.0008928200000000, -0.0003820200000000 ] - [ -0.0012692800000000, 0.0004761900000000, -0.0027318200000000 ] - [ -0.0004017300000000, 0.0000636100000000, 0.0007513700000000 ] - [ 0.0031758000000000, -0.0003899700000000, -0.0016237800000000 ] - [ 0.0051933000000000, 0.0149278500000000, 0.0214995600000000 ] - [ 0.0005552700000000, -0.0007027700000000, 0.0014962900000000 ] - [ -0.0002133300000000, -0.0000853400000000, 0.0015431100000000 ] - [ 0.0096394400000000, 0.0104860800000000, 0.0053558700000000 ] - [ -0.0000814000000000, -0.0001515600000000, -0.0004804800000000 ] - [ -0.0107355400000000, 0.0160830500000000, 0.0141268800000000 ] - [ -0.0012140600000000, -0.0012188300000000, -0.0029608500000000 ] - [ -0.0003925600000000, -0.0003543400000000, 0.0000959700000000 ] - [ -0.0134281700000000, -0.0208685900000000, -0.0004095400000000 ] - [ -0.0004917400000000, 0.0006276600000000, -0.0009606800000000 ] - [ -0.0163112000000000, 0.0018261700000000, 0.0070393000000000 ] - [ -0.0010846900000000, -0.0010678700000000, -0.0003140600000000 ] - [ 0.0010608100000000, -0.0066909400000000, -0.0007382400000000 ] - [ 0.0002743300000000, -0.0002208200000000, -0.0003794700000000 ] - [ 0.0022449300000000, -0.0022807400000000, 0.0013927500000000 ] - [ 0.0013737400000000, -0.0000801600000000, -0.0004181300000000 ] - [ -0.0004009500000000, -0.0004951500000000, 0.0000436500000000 ] - [ -0.0003356600000000, -0.0052373600000000, -0.0013979200000000 ] - [ -0.0003641700000000, -0.0000078200000000, 0.0003611700000000 ] - [ 0.0035316300000000, -0.0002361600000000, -0.0087277500000000 ] - [ 0.0031882000000000, 0.0004443000000000, -0.0040959800000000 ] - [ -0.0001048400000000, 0.0004143900000000, 0.0003301800000000 ] - [ -0.0007925700000000, -0.0008463100000000, -0.0001962000000000 ] - [ -0.0032765400000000, 0.0009009800000000, -0.0003501000000000 ] - [ -0.0006560100000000, 0.0010339500000000, 0.0012622100000000 ] - [ 0.0008025400000000, -0.0001768400000000, -0.0008461700000000 ] - [ 0.0012285000000000, -0.0007664400000000, 0.0015524100000000 ] - [ -0.0003447300000000, -0.0004470700000000, -0.0006120900000000 ] - [ 0.0003100600000000, 0.0005247000000000, -0.0014024900000000 ] - [ -0.0023976100000000, -0.0006720000000000, -0.0010009100000000 ] - [ -0.0020920600000000, -0.0066264400000000, -0.0006488700000000 ] - [ 0.0002303600000000, -0.0000010600000000, -0.0004832400000000 ] - [ 0.0000047400000000, -0.0180463900000000, 0.0246948800000000 ] - [ 0.0006253300000000, 0.0005040000000000, 0.0000223300000000 ] - [ 0.0008852700000000, 0.0018461600000000, -0.0007085300000000 ] - [ 0.0001132200000000, 0.0002687200000000, 0.0006425900000000 ] - [ 0.0005439000000000, -0.0001631800000000, 0.0006674200000000 ] - [ 0.0063226000000000, -0.0045497300000000, -0.0004273700000000 ] - [ 0.0006337600000000, 0.0031136300000000, -0.0028115100000000 ] - [ 0.0004228200000000, -0.0003763000000000, 0.0002323600000000 ] - [ 0.0010886700000000, 0.0005757500000000, -0.0011597200000000 ] - [ -0.0015874200000000, -0.0000831900000000, 0.0011950800000000 ] - [ 0.0034775100000000, -0.0027084400000000, -0.0061683300000000 ] - [ 0.0007580800000000, 0.0003259600000000, -0.0005030900000000 ] - [ -0.0000840600000000, 0.0019907400000000, -0.0009057400000000 ] - [ -0.0004749300000000, -0.0001184700000000, 0.0002062700000000 ] - [ 0.0005872300000000, -0.0005702200000000, 0.0012739000000000 ] - [ 0.0003787500000000, -0.0005853800000000, -0.0008959400000000 ] - [ 0.0207642100000000, -0.0008609200000000, 0.0408240700000000 ] - [ -0.0004773800000000, -0.0003941700000000, -0.0007964900000000 ] - [ 0.0043977900000000, 0.0015410600000000, 0.0015978400000000 ] - [ 0.0019615400000000, 0.0012226200000000, 0.0019646900000000 ] - [ 0.0005299200000000, -0.0002755600000000, -0.0008793200000000 ] - [ -0.0010832800000000, 0.0037165300000000, 0.0077895200000000 ] - [ 0.0005636600000000, 0.0001444700000000, -0.0001691300000000 ] - [ -0.0003867400000000, 0.0003902300000000, 0.0011170000000000 ] - [ -0.0003232000000000, -0.0002804900000000, -0.0014888400000000 ] - [ -0.0013399000000000, 0.0003782500000000, -0.0006396900000000 ] - [ -0.0013487400000000, 0.0016071300000000, 0.0029057100000000 ] - [ -0.0000020600000000, 0.0001496400000000, 0.0001444800000000 ] - [ 0.0051039800000000, 0.0027548900000000, 0.0036416300000000 ] - [ 0.0005215300000000, -0.0001083100000000, 0.0011677100000000 ] - [ -0.0007704500000000, 0.0003040500000000, 0.0009758700000000 ] - [ -0.0007427000000000, 0.0004279200000000, 0.0006901700000000 ] - [ 0.0000341900000000, 0.0005710500000000, -0.0002987200000000 ] - [ 0.0015056100000000, -0.0032047400000000, -0.0019560600000000 ] - [ -0.0049811700000000, -0.0014868000000000, -0.0067449200000000 ] - [ -0.0003800200000000, 0.0001545600000000, -0.0004997800000000 ] - [ 0.0037531000000000, -0.0026841900000000, -0.0032242100000000 ] - [ -0.0003573100000000, 0.0008975200000000, 0.0005032800000000 ] - [ 0.0033263600000000, 0.0036944500000000, -0.0050643000000000 ] - [ -0.0001740700000000, -0.0003561700000000, 0.0006267400000000 ] - [ -0.0005314300000000, 0.0006282500000000, -0.0001689300000000 ] - [ -0.0016937500000000, -0.0007583400000000, -0.0013371100000000 ] - [ -0.0004876700000000, 0.0003366500000000, -0.0010645800000000 ] - [ -0.0018679600000000, -0.0029486100000000, -0.0042683800000000 ] - [ 0.0004234500000000, 0.0060443600000000, 0.0040068700000000 ] - [ 0.0004342300000000, -0.0004463200000000, 0.0005761600000000 ]- atom: 7 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ -0.0008635500000000, -0.0013537700000000, 0.0040244600000000 ] - [ 0.0021488400000000, -0.0011936700000000, -0.0004433200000000 ] - [ 0.0020483000000000, -0.0004677100000000, -0.0023069000000000 ] - [ -0.0007206700000000, -0.0000608400000000, 0.0000859400000000 ] - [ -0.0039585200000000, 0.0047650800000000, -0.0030936700000000 ] - [ -0.0008234900000000, -0.0001926800000000, -0.0014398900000000 ] - [ 0.0114008500000000, -0.0186747300000000, 0.0986593800000000 ] - [ 0.0001281000000000, -0.0005096900000000, 0.0001656800000000 ] - [ -0.0017694600000000, -0.0033709200000000, 0.0030908000000000 ] - [ -0.0001031400000000, 0.0000274000000000, -0.0000001400000000 ] - [ 0.0015145600000000, -0.0003255300000000, 0.0008578200000000 ] - [ 0.0062623400000000, 0.0093105300000000, 0.0041143900000000 ] - [ 0.0000037200000000, -0.0006876900000000, -0.0001478800000000 ] - [ 0.0002816900000000, -0.0002715200000000, -0.0034174000000000 ] - [ 0.0030307300000000, 0.0019841600000000, -0.0086273900000000 ] - [ -0.0004261700000000, 0.0005797400000000, 0.0007708800000000 ] - [ -0.0016078000000000, -0.0007039800000000, -0.0013045300000000 ] - [ -0.0028647400000000, 0.0018094800000000, -0.0094254000000000 ] - [ 0.0014250900000000, -0.0022439800000000, -0.0038442700000000 ] - [ -0.0005990400000000, -0.0001860200000000, -0.0000325200000000 ] - [ 0.0004825600000000, 0.0004031200000000, -0.0005631400000000 ] - [ -0.0015304800000000, -0.0006225700000000, 0.0026672700000000 ] - [ 0.0028932400000000, 0.0010779400000000, 0.0004406100000000 ] - [ 0.0003737900000000, -0.0003000200000000, 0.0027632300000000 ] - [ 0.0005548600000000, -0.0001012900000000, -0.0020171000000000 ] - [ -0.0030219800000000, 0.0003568400000000, 0.0003570500000000 ] - [ -0.0052138000000000, -0.0149570200000000, -0.0202046300000000 ] - [ -0.0007158700000000, 0.0007358700000000, -0.0002309100000000 ] - [ 0.0002028600000000, 0.0006413200000000, -0.0003268400000000 ] - [ -0.0097644500000000, -0.0100155100000000, -0.0039692900000000 ] - [ 0.0000671000000000, -0.0004021300000000, 0.0017030500000000 ] - [ 0.0106403300000000, -0.0165630200000000, -0.0128566000000000 ] - [ 0.0013620100000000, 0.0012561400000000, 0.0016941100000000 ] - [ 0.0005403600000000, 0.0003824600000000, -0.0013662800000000 ] - [ 0.0133934700000000, 0.0214272400000000, -0.0008435600000000 ] - [ 0.0004919700000000, -0.0000736600000000, -0.0002648700000000 ] - [ 0.0162001900000000, -0.0019498000000000, -0.0056993500000000 ] - [ 0.0009318700000000, 0.0010336400000000, 0.0015770900000000 ] - [ -0.0010095300000000, 0.0060768200000000, -0.0004874600000000 ] - [ -0.0002712200000000, -0.0003329100000000, -0.0008467700000000 ] - [ -0.0001641800000000, 0.0016271700000000, -0.0022450200000000 ] - [ 0.0005933800000000, -0.0004725000000000, -0.0004280800000000 ] - [ -0.0006004300000000, -0.0004963300000000, -0.0002445000000000 ] - [ -0.0006663100000000, 0.0042161400000000, 0.0011938100000000 ] - [ 0.0005763000000000, 0.0004131200000000, -0.0010349700000000 ] - [ -0.0033153400000000, 0.0006283000000000, 0.0080540200000000 ] - [ -0.0039193500000000, 0.0003931400000000, 0.0034706100000000 ] - [ -0.0005937600000000, 0.0003967900000000, -0.0009329700000000 ] - [ -0.0011709700000000, 0.0002970200000000, 0.0010434200000000 ] - [ 0.0013041700000000, -0.0014522800000000, 0.0011929500000000 ] - [ 0.0009567600000000, -0.0016734800000000, -0.0013498600000000 ] - [ -0.0005017600000000, -0.0004590900000000, 0.0007600800000000 ] - [ -0.0021324500000000, 0.0002814200000000, -0.0024777500000000 ] - [ -0.0005585500000000, -0.0000338400000000, -0.0003113200000000 ] - [ -0.0000640500000000, -0.0003660900000000, 0.0003221200000000 ] - [ 0.0026377700000000, 0.0008330600000000, -0.0001259600000000 ] - [ 0.0017849300000000, 0.0059930300000000, 0.0007413900000000 ] - [ -0.0005263300000000, -0.0006351400000000, 0.0005697600000000 ] - [ 0.0009853300000000, 0.0203804300000000, -0.0253552400000000 ] - [ 0.0003761500000000, 0.0004838900000000, 0.0001784300000000 ] - [ -0.0004388200000000, -0.0012467000000000, 0.0019647700000000 ] - [ 0.0003379500000000, 0.0003132600000000, 0.0006212900000000 ] - [ -0.0002966400000000, 0.0000030800000000, -0.0017487000000000 ] - [ -0.0060491500000000, 0.0043727100000000, -0.0006513600000000 ] - [ 0.0003564300000000, -0.0040586400000000, 0.0030003900000000 ] - [ 0.0005801000000000, -0.0006157000000000, -0.0000332000000000 ] - [ -0.0007954000000000, 0.0000679500000000, 0.0010736600000000 ] - [ 0.0018829200000000, 0.0007157800000000, -0.0012811100000000 ] - [ -0.0015553200000000, 0.0032580700000000, 0.0053271900000000 ] - [ 0.0012173800000000, 0.0002260200000000, -0.0003500200000000 ] - [ -0.0001729200000000, -0.0021463200000000, 0.0019864200000000 ] - [ 0.0002391900000000, -0.0000399200000000, 0.0008783400000000 ] - [ 0.0001158700000000, -0.0002412000000000, -0.0006690500000000 ] - [ 0.0003233100000000, -0.0002261100000000, 0.0014988800000000 ] - [ -0.0202276600000000, 0.0001651300000000, -0.0399015800000000 ] - [ -0.0002220000000000, -0.0004143500000000, 0.0001958100000000 ] - [ -0.0034908100000000, -0.0010536100000000, -0.0006891000000000 ] - [ -0.0010572800000000, -0.0007366100000000, -0.0010368800000000 ] - [ -0.0003242500000000, -0.0001281100000000, 0.0002141200000000 ] - [ 0.0013894100000000, -0.0040055100000000, -0.0083533600000000 ] - [ 0.0001377300000000, 0.0006644200000000, 0.0007738700000000 ] - [ 0.0010864600000000, 0.0004163600000000, -0.0005144400000000 ] - [ -0.0005837600000000, 0.0007621400000000, 0.0005626800000000 ] - [ 0.0004353100000000, 0.0001029000000000, -0.0002845900000000 ] - [ 0.0011357600000000, -0.0012006300000000, -0.0022268900000000 ] - [ -0.0002057700000000, 0.0002543300000000, 0.0005289200000000 ] - [ -0.0053390200000000, -0.0025972800000000, -0.0025658500000000 ] - [ -0.0007548400000000, 0.0002666500000000, -0.0000798300000000 ] - [ -0.0011960600000000, 0.0002483100000000, -0.0001275400000000 ] - [ -0.0012275200000000, 0.0001242500000000, 0.0001638600000000 ] - [ -0.0004837000000000, 0.0000098300000000, -0.0009656800000000 ] - [ -0.0024299100000000, 0.0039246000000000, 0.0008824500000000 ] - [ 0.0059247900000000, 0.0010241400000000, 0.0077166800000000 ] - [ 0.0012935300000000, -0.0006383900000000, 0.0014262500000000 ] - [ -0.0040301200000000, 0.0033236300000000, 0.0032886500000000 ] - [ 0.0000597600000000, -0.0002664100000000, -0.0004155700000000 ] - [ -0.0035105000000000, -0.0040722400000000, 0.0057076000000000 ] - [ -0.0000309100000000, -0.0000479100000000, 0.0000400200000000 ] - [ -0.0004666400000000, 0.0003572900000000, -0.0000295400000000 ] - [ 0.0007097400000000, 0.0017413300000000, 0.0011085100000000 ] - [ 0.0000402300000000, -0.0009224100000000, -0.0001993300000000 ] - [ 0.0014675100000000, 0.0024123700000000, 0.0029787100000000 ] - [ 0.0000205600000000, -0.0066203700000000, -0.0027353900000000 ] - [ 0.0000188200000000, -0.0001379900000000, 0.0006873900000000 ]- atom: 9 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ -0.0016307600000000, -0.0115696900000000, 0.0017101900000000 ] - [ 0.0021456600000000, 0.0005889600000000, 0.0008181700000000 ] - [ 0.0033547400000000, -0.0015949600000000, -0.0065487600000000 ] - [ 0.0033450200000000, 0.0000499300000000, 0.0013498500000000 ] - [ -0.0048489500000000, 0.0010067400000000, 0.0017167900000000 ] - [ 0.0018115800000000, -0.0006788100000000, 0.0013825200000000 ] - [ -0.0065750200000000, -0.0015242900000000, -0.0006942300000000 ] - [ 0.0019736300000000, -0.0004545400000000, 0.0011572100000000 ] - [ -0.0773454600000000, -0.0265364600000000, -0.0046384400000000 ] - [ 0.0023612000000000, 0.0000465100000000, 0.0009686900000000 ] - [ 0.0032962100000000, 0.0020654600000000, 0.0002787500000000 ] - [ 0.0034864600000000, -0.0023101200000000, -0.0007672900000000 ] - [ 0.0026250600000000, -0.0011533400000000, 0.0026580500000000 ] - [ -0.0009437900000000, 0.0037880100000000, 0.0024817200000000 ] - [ -0.0037403300000000, -0.0010146700000000, -0.0029468000000000 ] - [ 0.0018130300000000, 0.0008904400000000, 0.0016270900000000 ] - [ 0.0006921400000000, -0.0002328800000000, 0.0003632100000000 ] - [ 0.0006446700000000, -0.0004636000000000, 0.0004125600000000 ] - [ -0.0041971000000000, 0.0017456600000000, -0.0021538800000000 ] - [ 0.0022909700000000, -0.0002895400000000, 0.0013017100000000 ] - [ 0.0034156200000000, -0.0006336900000000, -0.0003905800000000 ] - [ 0.0117062000000000, 0.0097242800000000, -0.0019847700000000 ] - [ -0.0014020200000000, 0.0016875700000000, -0.0007925200000000 ] - [ 0.0013358900000000, 0.0000825700000000, 0.0004421500000000 ] - [ -0.0006115400000000, -0.0010200400000000, -0.0020095800000000 ] - [ 0.0027073900000000, 0.0022720900000000, 0.0025053000000000 ] - [ -0.0033642300000000, -0.0009236300000000, 0.0000242000000000 ] - [ 0.0029103400000000, 0.0000731100000000, 0.0017842200000000 ] - [ 0.0021499300000000, 0.0008100000000000, 0.0014380500000000 ] - [ 0.0081366800000000, -0.0127456200000000, 0.0084034100000000 ] - [ 0.0024166600000000, -0.0007615400000000, 0.0022455600000000 ] - [ 0.0014427900000000, 0.0008014600000000, 0.0004735800000000 ] - [ 0.0213402300000000, 0.0093662500000000, 0.0136652800000000 ] - [ 0.0045246700000000, 0.0001019500000000, -0.0003912100000000 ] - [ -0.0123089600000000, 0.0064162800000000, 0.0005232700000000 ] - [ 0.0028005100000000, -0.0001469200000000, 0.0011022700000000 ] - [ 0.0009440500000000, 0.0274851000000000, -0.0037496700000000 ] - [ 0.0032329900000000, -0.0003684000000000, 0.0017380200000000 ] - [ -0.0024717200000000, -0.0097154100000000, -0.0242747700000000 ] - [ 0.0043560000000000, 0.0001171600000000, 0.0014778200000000 ] - [ 0.0117279400000000, 0.0086884300000000, -0.0023061500000000 ] - [ -0.0009223000000000, -0.0002248000000000, -0.0004265800000000 ] - [ -0.0017475200000000, -0.0003587600000000, -0.0008194800000000 ] - [ -0.0009265300000000, -0.0024749800000000, 0.0010477100000000 ] - [ -0.0006046300000000, 0.0005121000000000, -0.0011992900000000 ] - [ 0.0002627100000000, 0.0000724000000000, 0.0000682800000000 ] - [ 0.0018431000000000, -0.0043635500000000, 0.0036261400000000 ] - [ -0.0015937500000000, 0.0006892000000000, -0.0015508400000000 ] - [ -0.0010502500000000, 0.0006454500000000, 0.0001680500000000 ] - [ -0.0015308100000000, -0.0015251900000000, -0.0001178000000000 ] - [ -0.0014635800000000, -0.0053098500000000, -0.0036678900000000 ] - [ -0.0012963400000000, 0.0003397600000000, 0.0000419800000000 ] - [ 0.0185915000000000, -0.0101676200000000, 0.0098332100000000 ] - [ -0.0030749900000000, -0.0007522700000000, -0.0016459600000000 ] - [ -0.0009820900000000, -0.0004089600000000, -0.0004045300000000 ] - [ -0.0037877900000000, 0.0008484900000000, -0.0026624000000000 ] - [ 0.0023384500000000, 0.0013312100000000, -0.0004615800000000 ] - [ -0.0012690600000000, -0.0005850300000000, -0.0001650000000000 ] - [ 0.0024013000000000, -0.0018349100000000, 0.0002967500000000 ] - [ -0.0006462100000000, 0.0001706800000000, -0.0005673000000000 ] - [ -0.0003270000000000, -0.0013615700000000, 0.0075953200000000 ] - [ -0.0019986700000000, 0.0000667000000000, 0.0002911200000000 ] - [ -0.0011833900000000, 0.0011918500000000, -0.0009890700000000 ] - [ -0.0010102000000000, -0.0002251200000000, -0.0009294300000000 ] - [ -0.0003367300000000, 0.0036972500000000, 0.0046448500000000 ] - [ -0.0014689100000000, -0.0002992600000000, -0.0012057800000000 ] - [ 0.0003991800000000, 0.0005209900000000, 0.0002624900000000 ] - [ -0.0008059500000000, -0.0005786100000000, -0.0002557500000000 ] - [ 0.0034500500000000, 0.0002109900000000, -0.0004553900000000 ] - [ -0.0007239400000000, 0.0002011900000000, -0.0005366900000000 ] - [ 0.0067679500000000, 0.0024226300000000, 0.0081021800000000 ] - [ -0.0032274300000000, -0.0006128100000000, -0.0011101600000000 ] - [ -0.0056031300000000, 0.0013907800000000, -0.0089413400000000 ] - [ -0.0009049000000000, -0.0008039900000000, -0.0010232200000000 ] - [ 0.0014792900000000, -0.0001864800000000, -0.0000176500000000 ] - [ -0.0015759800000000, -0.0006089600000000, -0.0014158400000000 ] - [ 0.0007020900000000, -0.0035712000000000, 0.0001565500000000 ] - [ -0.0017251600000000, 0.0002752300000000, -0.0006132400000000 ] - [ -0.0011576300000000, -0.0006669100000000, -0.0003363700000000 ] - [ -0.0004765600000000, 0.0046704600000000, -0.0009910400000000 ] - [ -0.0003164500000000, 0.0014327600000000, 0.0013766400000000 ] - [ -0.0017114800000000, -0.0015225800000000, -0.0021149500000000 ] - [ 0.0009931200000000, 0.0008486700000000, 0.0011327400000000 ] - [ -0.0028145800000000, 0.0002030800000000, -0.0022580900000000 ] - [ 0.0147949800000000, 0.0032837900000000, -0.0039781700000000 ] - [ -0.0019875200000000, -0.0002103600000000, -0.0003439900000000 ] - [ 0.0072433300000000, -0.0008110400000000, 0.0035490300000000 ] - [ -0.0022754400000000, 0.0004426900000000, -0.0006011900000000 ] - [ -0.0077896000000000, -0.0017566100000000, 0.0003181100000000 ] - [ -0.0044919700000000, 0.0008206500000000, 0.0011076500000000 ] - [ -0.0014986600000000, 0.0003329300000000, -0.0007937400000000 ] - [ -0.0002176000000000, 0.0007663700000000, -0.0002887200000000 ] - [ 0.0019929400000000, -0.0006617000000000, 0.0010861900000000 ] - [ -0.0014412300000000, 0.0002845000000000, -0.0007392800000000 ] - [ -0.0037753200000000, -0.0072409200000000, 0.0050741300000000 ] - [ -0.0015826400000000, 0.0007308600000000, -0.0001002800000000 ] - [ 0.0032617500000000, -0.0019991900000000, -0.0002134800000000 ] - [ -0.0012108600000000, 0.0003127100000000, -0.0005824600000000 ] - [ -0.0015713000000000, 0.0004668400000000, -0.0011773800000000 ] - [ 0.0018159300000000, 0.0027322300000000, -0.0023147400000000 ] - [ -0.0011395800000000, -0.0009344000000000, -0.0007458400000000 ] - [ 0.0007937700000000, 0.0041121700000000, -0.0024675800000000 ] - [ 0.0136838000000000, 0.0123964700000000, 0.0006409700000000 ] - [ -0.0011179200000000, -0.0000363100000000, 0.0004084700000000 ]- atom: 9 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.0024992500000000, 0.0113538700000000, -0.0017541500000000 ] - [ -0.0012579200000000, -0.0007715700000000, -0.0008653500000000 ] - [ -0.0024349300000000, 0.0017621900000000, 0.0064652500000000 ] - [ -0.0024573100000000, 0.0001343300000000, -0.0014017600000000 ] - [ 0.0039472200000000, -0.0011807500000000, -0.0016774300000000 ] - [ -0.0027010000000000, 0.0004980900000000, -0.0013335600000000 ] - [ 0.0063179100000000, 0.0004347200000000, 0.0015773100000000 ] - [ -0.0022841200000000, -0.0006307900000000, -0.0002631400000000 ] - [ 0.0763249400000000, 0.0274671000000000, 0.0030110700000000 ] - [ -0.0029321300000000, 0.0000250000000000, -0.0008747700000000 ] - [ -0.0027221200000000, -0.0021272500000000, -0.0003761900000000 ] - [ -0.0029274200000000, 0.0022511100000000, 0.0006845700000000 ] - [ -0.0023159500000000, 0.0000636700000000, -0.0035517100000000 ] - [ 0.0012674100000000, -0.0048863300000000, -0.0033570000000000 ] - [ 0.0034322800000000, 0.0021072600000000, 0.0038469300000000 ] - [ -0.0021218700000000, 0.0001991600000000, -0.0007321700000000 ] - [ -0.0001262200000000, 0.0003025700000000, -0.0004608300000000 ] - [ -0.0000627400000000, 0.0005365400000000, -0.0004960400000000 ] - [ 0.0036168900000000, -0.0018211600000000, 0.0022535900000000 ] - [ -0.0028622200000000, 0.0002186400000000, -0.0012066700000000 ] - [ -0.0031009400000000, 0.0017148000000000, -0.0005019400000000 ] - [ -0.0114686000000000, -0.0087425300000000, 0.0011206200000000 ] - [ 0.0004976000000000, -0.0015041500000000, 0.0008391000000000 ] - [ -0.0022241200000000, 0.0000997100000000, -0.0003932800000000 ] - [ 0.0007583700000000, 0.0009693400000000, 0.0007409500000000 ] - [ -0.0025448900000000, -0.0023233100000000, -0.0037853400000000 ] - [ 0.0032081700000000, 0.0009517500000000, 0.0012212000000000 ] - [ -0.0030560100000000, -0.0000411700000000, -0.0005193700000000 ] - [ -0.0021502300000000, -0.0002542500000000, -0.0002131400000000 ] - [ -0.0081158700000000, 0.0133194000000000, -0.0072793300000000 ] - [ -0.0024284600000000, 0.0002082900000000, -0.0010258500000000 ] - [ -0.0014433200000000, -0.0013603800000000, 0.0007557100000000 ] - [ -0.0210963000000000, -0.0093885100000000, -0.0148382900000000 ] - [ -0.0043867200000000, -0.0000714900000000, -0.0008602300000000 ] - [ 0.0122086400000000, -0.0057360800000000, -0.0016598400000000 ] - [ -0.0027961800000000, 0.0006999500000000, -0.0023251400000000 ] - [ -0.0012910900000000, -0.0272359000000000, 0.0050769100000000 ] - [ -0.0033809200000000, 0.0003359500000000, -0.0004756500000000 ] - [ 0.0024408900000000, 0.0091485100000000, 0.0230410000000000 ] - [ -0.0043510200000000, -0.0006722700000000, -0.0027001700000000 ] - [ -0.0098600500000000, -0.0092063200000000, 0.0013989500000000 ] - [ 0.0028698700000000, -0.0003215400000000, -0.0004082400000000 ] - [ 0.0007436300000000, -0.0006446000000000, 0.0006236700000000 ] - [ -0.0000806700000000, 0.0014777000000000, -0.0012465700000000 ] - [ 0.0008170300000000, -0.0001133800000000, 0.0005246900000000 ] - [ -0.0000521500000000, 0.0003268000000000, -0.0007512000000000 ] - [ -0.0025098500000000, 0.0051400300000000, -0.0042663600000000 ] - [ 0.0008903800000000, 0.0001091400000000, 0.0009451700000000 ] - [ -0.0008987600000000, -0.0011899100000000, 0.0006683700000000 ] - [ -0.0004314300000000, 0.0009842300000000, 0.0009544300000000 ] - [ 0.0017684600000000, 0.0046510300000000, 0.0035658100000000 ] - [ 0.0016086500000000, -0.0009826400000000, -0.0001298000000000 ] - [ -0.0181496500000000, 0.0091044900000000, -0.0097314700000000 ] - [ 0.0021789800000000, 0.0002859100000000, 0.0007217700000000 ] - [ 0.0012278000000000, 0.0005718800000000, -0.0006710100000000 ] - [ 0.0040168500000000, -0.0006783500000000, 0.0015850900000000 ] - [ -0.0026461200000000, -0.0019699400000000, 0.0005527400000000 ] - [ 0.0009558000000000, -0.0000537900000000, 0.0002486300000000 ] - [ -0.0014065700000000, 0.0027866600000000, -0.0001275500000000 ] - [ 0.0016472700000000, 0.0008312800000000, 0.0007617800000000 ] - [ 0.0007835900000000, 0.0019513000000000, -0.0063209900000000 ] - [ 0.0024494400000000, 0.0005233800000000, 0.0009705100000000 ] - [ 0.0014427300000000, -0.0013604500000000, -0.0000864900000000 ] - [ 0.0012551000000000, 0.0000601800000000, -0.0001537200000000 ] - [ 0.0013377700000000, -0.0046936400000000, -0.0044514000000000 ] - [ 0.0024697900000000, -0.0007055600000000, 0.0013994600000000 ] - [ -0.0000852900000000, 0.0001310700000000, -0.0003478900000000 ] - [ 0.0011123300000000, 0.0012231800000000, 0.0001740900000000 ] - [ -0.0015024300000000, 0.0003372700000000, -0.0003779100000000 ] - [ 0.0026717700000000, 0.0003453400000000, -0.0003002500000000 ] - [ -0.0070182200000000, -0.0025941100000000, -0.0070162000000000 ] - [ 0.0029800900000000, 0.0004465700000000, 0.0021910200000000 ] - [ 0.0063031200000000, -0.0021816100000000, 0.0095558100000000 ] - [ 0.0016068400000000, 0.0000078800000000, 0.0016225800000000 ] - [ -0.0021804000000000, -0.0006057100000000, -0.0005666600000000 ] - [ 0.0008718900000000, -0.0001901600000000, 0.0008092400000000 ] - [ 0.0002288400000000, 0.0040119500000000, 0.0007595200000000 ] - [ 0.0026206100000000, 0.0001904400000000, 0.0015341100000000 ] - [ 0.0013674500000000, 0.0002653500000000, -0.0003407600000000 ] - [ 0.0006701800000000, -0.0051042300000000, 0.0003451700000000 ] - [ 0.0010134700000000, -0.0006274000000000, -0.0007675000000000 ] - [ 0.0024143300000000, 0.0023374200000000, 0.0027332400000000 ] - [ -0.0018880600000000, -0.0003727000000000, -0.0020475000000000 ] - [ 0.0019161400000000, 0.0002679700000000, 0.0013406000000000 ] - [ -0.0156628300000000, -0.0028656400000000, 0.0055780900000000 ] - [ 0.0017722400000000, 0.0006105400000000, 0.0010222600000000 ] - [ -0.0074515600000000, 0.0009687900000000, -0.0024620600000000 ] - [ 0.0020257600000000, -0.0002758300000000, 0.0016803400000000 ] - [ 0.0058296500000000, 0.0023084000000000, 0.0005070200000000 ] - [ 0.0025545700000000, -0.0002760300000000, -0.0002829000000000 ] - [ 0.0010492300000000, 0.0002561600000000, -0.0004691600000000 ] - [ -0.0002404200000000, -0.0001788100000000, -0.0009745000000000 ] - [ -0.0010892500000000, 0.0001903000000000, -0.0001584900000000 ] - [ 0.0023333000000000, -0.0007527600000000, 0.0016588200000000 ] - [ 0.0035473200000000, 0.0078059000000000, -0.0050317900000000 ] - [ 0.0012714700000000, -0.0000924400000000, 0.0001846800000000 ] - [ -0.0034559800000000, 0.0015974800000000, 0.0008521000000000 ] - [ 0.0009996300000000, -0.0007120900000000, 0.0012567400000000 ] - [ 0.0005662200000000, 0.0005376500000000, 0.0009832400000000 ] - [ -0.0029044300000000, -0.0016767600000000, 0.0019850500000000 ] - [ 0.0006866600000000, 0.0003418600000000, -0.0005178900000000 ] - [ -0.0012539300000000, -0.0047058400000000, 0.0012051600000000 ] - [ -0.0131543800000000, -0.0133548500000000, 0.0005458500000000 ] - [ 0.0015672000000000, -0.0005524500000000, 0.0008545800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047172400000000, 0.0053037500000000, -0.0052197700000000 ] - [ 0.0005929500000000, -0.0002266300000000, 0.0000079000000000 ] - [ 0.0026892800000000, -0.0025540900000000, -0.0016076800000000 ] - [ 0.0000655000000000, -0.0013190600000000, 0.0003619200000000 ] - [ 0.0008179900000000, -0.0001505900000000, 0.0017579200000000 ] - [ -0.0009020800000000, 0.0001962400000000, -0.0006591200000000 ] - [ -0.0070643000000000, 0.0124958100000000, 0.0012181400000000 ] - [ 0.0000823000000000, -0.0003053700000000, 0.0005571200000000 ] - [ -0.0273918800000000, -0.1305270900000000, 0.0119192700000000 ] - [ -0.0002729900000000, -0.0001457200000000, 0.0001472300000000 ] - [ 0.0023857900000000, -0.0012086100000000, 0.0016536300000000 ] - [ -0.0019956400000000, 0.0000565200000000, 0.0015138000000000 ] - [ -0.0001185100000000, -0.0007059500000000, -0.0013673600000000 ] - [ 0.0018694000000000, -0.0052417600000000, 0.0021989900000000 ] - [ -0.0011625200000000, 0.0022496700000000, -0.0023925500000000 ] - [ -0.0000062600000000, 0.0006869900000000, 0.0003462600000000 ] - [ 0.0005543600000000, 0.0005733600000000, -0.0000209600000000 ] - [ 0.0007829600000000, 0.0026080800000000, 0.0010368000000000 ] - [ -0.0020620900000000, -0.0001996400000000, 0.0012341800000000 ] - [ -0.0000301900000000, 0.0001332800000000, 0.0002143600000000 ] - [ -0.0001647200000000, 0.0005805900000000, -0.0002673300000000 ] - [ 0.0118100300000000, -0.0024671000000000, -0.0056363000000000 ] - [ -0.0020037600000000, 0.0059665900000000, 0.0007924300000000 ] - [ -0.0001778100000000, 0.0007713100000000, -0.0001455500000000 ] - [ -0.0001232500000000, 0.0002384600000000, -0.0009808600000000 ] - [ 0.0024355600000000, 0.0015092000000000, 0.0010449700000000 ] - [ 0.0007863400000000, 0.0065535800000000, 0.0018810700000000 ] - [ -0.0001922400000000, 0.0005082000000000, 0.0007106800000000 ] - [ 0.0014221100000000, 0.0000408700000000, 0.0008620100000000 ] - [ -0.0065693500000000, 0.0009548900000000, -0.0101226800000000 ] - [ -0.0012132500000000, 0.0009764300000000, 0.0004734400000000 ] - [ 0.0008464700000000, 0.0031257400000000, 0.0012255300000000 ] - [ -0.0059023100000000, -0.0090213000000000, -0.0042569300000000 ] - [ 0.0000251300000000, -0.0006540300000000, -0.0007660900000000 ] - [ -0.0108326600000000, 0.0323499900000000, 0.0180094300000000 ] - [ 0.0003153500000000, 0.0004672100000000, -0.0007438600000000 ] - [ 0.0359956900000000, 0.0118884700000000, -0.0205594400000000 ] - [ -0.0003964200000000, -0.0002350400000000, 0.0003217600000000 ] - [ -0.0018114800000000, -0.0025501700000000, -0.0004302600000000 ] - [ -0.0003342300000000, -0.0008343700000000, -0.0005876600000000 ] - [ 0.0065599900000000, 0.0494570900000000, 0.0013142300000000 ] - [ 0.0009850100000000, -0.0001880100000000, -0.0004053700000000 ] - [ -0.0002819600000000, -0.0007510500000000, -0.0000896100000000 ] - [ -0.0018944200000000, -0.0022298200000000, 0.0010283400000000 ] - [ 0.0002087500000000, -0.0001252800000000, -0.0001057100000000 ] - [ 0.0000847500000000, -0.0011937300000000, -0.0001727600000000 ] - [ -0.0039923500000000, -0.0048587600000000, 0.0068148100000000 ] - [ -0.0003205300000000, 0.0003035200000000, -0.0001703400000000 ] - [ -0.0011174400000000, -0.0006319500000000, 0.0007099600000000 ] - [ -0.0021636100000000, -0.0004584000000000, -0.0004006200000000 ] - [ -0.0004680700000000, 0.0037344600000000, 0.0002846000000000 ] - [ 0.0001318000000000, 0.0000809700000000, 0.0002626400000000 ] - [ -0.0065171600000000, 0.0096547500000000, -0.0038915600000000 ] - [ -0.0003789700000000, -0.0000322000000000, -0.0004194200000000 ] - [ -0.0011771800000000, 0.0000624700000000, -0.0004799800000000 ] - [ 0.0022038300000000, 0.0007467900000000, 0.0012397300000000 ] - [ -0.0009541300000000, -0.0042090000000000, 0.0020722900000000 ] - [ -0.0001826400000000, -0.0005467500000000, -0.0000142900000000 ] - [ -0.0013260300000000, -0.0117567400000000, -0.0020076100000000 ] - [ 0.0003659600000000, 0.0002728300000000, 0.0001312400000000 ] - [ 0.0011011100000000, 0.0024499800000000, -0.0005920100000000 ] - [ 0.0005218100000000, 0.0006353300000000, 0.0004992800000000 ] - [ 0.0016123400000000, -0.0013981600000000, -0.0001794500000000 ] - [ -0.0000524000000000, -0.0006360100000000, -0.0006099500000000 ] - [ 0.0003614000000000, 0.0010021600000000, 0.0009815100000000 ] - [ 0.0005021500000000, -0.0002928900000000, 0.0001544400000000 ] - [ 0.0003298800000000, -0.0004525000000000, -0.0000663700000000 ] - [ -0.0004466500000000, -0.0005917900000000, 0.0000170100000000 ] - [ 0.0011592200000000, -0.0024685500000000, -0.0005681800000000 ] - [ 0.0010038400000000, 0.0000421600000000, -0.0005002800000000 ] - [ 0.0004598600000000, 0.0009088900000000, 0.0014639600000000 ] - [ 0.0002785000000000, 0.0001739500000000, 0.0006983000000000 ] - [ 0.0026304000000000, -0.0000740500000000, 0.0033305600000000 ] - [ 0.0003315900000000, 0.0002394400000000, 0.0003492000000000 ] - [ -0.0004590200000000, -0.0043770100000000, -0.0041283800000000 ] - [ -0.0003487400000000, -0.0005476600000000, -0.0003822700000000 ] - [ -0.0082012200000000, -0.0031451400000000, -0.0003472300000000 ] - [ 0.0009864800000000, 0.0000328200000000, 0.0005889000000000 ] - [ -0.0004947500000000, -0.0001347000000000, -0.0003826700000000 ] - [ 0.0044094800000000, -0.0009725400000000, 0.0021376100000000 ] - [ 0.0003539500000000, 0.0007800600000000, 0.0001450100000000 ] - [ -0.0021782100000000, 0.0006502800000000, -0.0017237500000000 ] - [ -0.0000969300000000, 0.0010789300000000, -0.0001841600000000 ] - [ -0.0014977500000000, 0.0003626500000000, -0.0013596100000000 ] - [ 0.0029031700000000, 0.0048673800000000, -0.0006012600000000 ] - [ 0.0000821500000000, 0.0003501800000000, 0.0003349300000000 ] - [ 0.0069475000000000, -0.0073748000000000, 0.0000677700000000 ] - [ -0.0003157500000000, 0.0000404000000000, 0.0005566100000000 ] - [ 0.0015541200000000, 0.0025601800000000, -0.0000615900000000 ] - [ -0.0008436600000000, 0.0013221200000000, 0.0003852600000000 ] - [ -0.0002057200000000, -0.0007095000000000, -0.0011590400000000 ] - [ 0.0004230400000000, -0.0016366600000000, -0.0014442000000000 ] - [ -0.0000116900000000, -0.0016967600000000, 0.0000024700000000 ] - [ 0.0006261400000000, -0.0007521600000000, 0.0005479200000000 ] - [ -0.0062749600000000, 0.0080598200000000, 0.0043990400000000 ] - [ -0.0001296400000000, 0.0005750200000000, 0.0001034200000000 ] - [ 0.0026997600000000, -0.0020138200000000, -0.0080325900000000 ] - [ -0.0001925200000000, -0.0002761700000000, 0.0005102200000000 ] - [ -0.0009038900000000, 0.0010127300000000, 0.0000202200000000 ] - [ -0.0003357500000000, 0.0068651700000000, 0.0024130700000000 ] - [ -0.0006301600000000, -0.0005134900000000, -0.0005543400000000 ] - [ 0.0004281100000000, -0.0019503700000000, 0.0011776800000000 ] - [ 0.0139333900000000, 0.0290235200000000, 0.0019153100000000 ] - [ 0.0001824200000000, -0.0002383500000000, 0.0006526000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056648700000000, -0.0054732800000000, 0.0052172400000000 ] - [ 0.0002971000000000, 0.0000532100000000, -0.0000550200000000 ] - [ -0.0018043400000000, 0.0027472300000000, 0.0015574500000000 ] - [ 0.0008292700000000, 0.0015102200000000, -0.0004119500000000 ] - [ -0.0017086700000000, -0.0000486000000000, -0.0017009600000000 ] - [ 0.0000101000000000, -0.0003783000000000, 0.0007107700000000 ] - [ 0.0067230800000000, -0.0135034100000000, -0.0003211400000000 ] - [ -0.0003902800000000, -0.0007758500000000, 0.0003362900000000 ] - [ 0.0266199200000000, 0.1291246200000000, -0.0107772000000000 ] - [ -0.0002952500000000, 0.0002210800000000, -0.0000527800000000 ] - [ -0.0018126900000000, 0.0011310600000000, -0.0017436200000000 ] - [ 0.0025597200000000, -0.0001367300000000, -0.0015964500000000 ] - [ 0.0004255600000000, -0.0003736300000000, 0.0004669700000000 ] - [ -0.0015642600000000, 0.0042068500000000, -0.0030881400000000 ] - [ 0.0008491000000000, -0.0011734600000000, 0.0032780100000000 ] - [ -0.0003005400000000, 0.0003998900000000, 0.0005490700000000 ] - [ 0.0000195000000000, -0.0004998300000000, -0.0000704900000000 ] - [ -0.0002206500000000, -0.0025408200000000, -0.0011359000000000 ] - [ 0.0014996700000000, 0.0001512200000000, -0.0011491000000000 ] - [ -0.0005391600000000, -0.0001980500000000, -0.0001201600000000 ] - [ 0.0004709900000000, 0.0005109500000000, -0.0006248000000000 ] - [ -0.0115512500000000, 0.0036128600000000, 0.0047722200000000 ] - [ 0.0011320600000000, -0.0057925400000000, -0.0007445500000000 ] - [ -0.0007166000000000, -0.0005881500000000, 0.0001924200000000 ] - [ 0.0002762700000000, -0.0002579600000000, -0.0002816200000000 ] - [ -0.0022948500000000, -0.0015382300000000, -0.0023131000000000 ] - [ -0.0009304500000000, -0.0065231100000000, -0.0005950600000000 ] - [ 0.0000427100000000, -0.0004731300000000, 0.0005535300000000 ] - [ -0.0014365800000000, 0.0005105900000000, 0.0003562400000000 ] - [ 0.0065801200000000, -0.0005311400000000, 0.0112602400000000 ] - [ 0.0012142100000000, -0.0015245400000000, 0.0007525400000000 ] - [ -0.0008644100000000, -0.0036772900000000, -0.0000069100000000 ] - [ 0.0059892900000000, 0.0090074900000000, 0.0029464700000000 ] - [ 0.0001283700000000, 0.0006928500000000, -0.0004960500000000 ] - [ 0.0107770400000000, -0.0320407300000000, -0.0193328300000000 ] - [ -0.0003074100000000, 0.0000917900000000, -0.0004765200000000 ] - [ -0.0359141700000000, -0.0117965800000000, 0.0216905700000000 ] - [ 0.0002470900000000, 0.0002033900000000, 0.0009430000000000 ] - [ 0.0018387600000000, 0.0019560200000000, -0.0008554900000000 ] - [ 0.0003414000000000, 0.0002837900000000, -0.0006358500000000 ] - [ -0.0036312500000000, -0.0464845500000000, -0.0024635600000000 ] - [ 0.0009714600000000, -0.0003558100000000, -0.0004329600000000 ] - [ -0.0007237500000000, -0.0002520600000000, -0.0001067500000000 ] - [ 0.0009012300000000, 0.0012313800000000, -0.0012254500000000 ] - [ -0.0000044500000000, 0.0005308200000000, -0.0005714300000000 ] - [ 0.0001241300000000, 0.0016008300000000, -0.0005022300000000 ] - [ 0.0032790800000000, 0.0056607700000000, -0.0074180200000000 ] - [ -0.0003774000000000, 0.0005002400000000, -0.0004328500000000 ] - [ -0.0008400900000000, 0.0000808700000000, 0.0001289800000000 ] - [ 0.0002144800000000, -0.0000909800000000, 0.0012422400000000 ] - [ 0.0007825300000000, -0.0043502700000000, -0.0003709700000000 ] - [ 0.0001815000000000, -0.0007194900000000, -0.0003521900000000 ] - [ 0.0057347600000000, -0.0100100700000000, 0.0030341600000000 ] - [ -0.0005222800000000, -0.0004307300000000, -0.0005040100000000 ] - [ 0.0014374000000000, 0.0001117700000000, -0.0005908400000000 ] - [ -0.0019793800000000, -0.0005583500000000, -0.0023133200000000 ] - [ 0.0006367400000000, 0.0035749300000000, -0.0019981600000000 ] - [ -0.0001334400000000, -0.0000893500000000, 0.0001037700000000 ] - [ 0.0023330900000000, 0.0127473200000000, 0.0021985900000000 ] - [ 0.0006337200000000, 0.0007306600000000, 0.0000631600000000 ] - [ -0.0006586700000000, -0.0018760500000000, 0.0018831200000000 ] - [ -0.0000676100000000, -0.0000444500000000, 0.0007651900000000 ] - [ -0.0013717700000000, 0.0012322200000000, -0.0009019100000000 ] - [ 0.0003087200000000, 0.0004697000000000, -0.0004639400000000 ] - [ 0.0006271600000000, -0.0019715100000000, -0.0007751300000000 ] - [ 0.0004997800000000, -0.0007039500000000, 0.0000416500000000 ] - [ -0.0000213200000000, 0.0010951100000000, -0.0000199800000000 ] - [ 0.0007650200000000, 0.0012356500000000, -0.0001049000000000 ] - [ 0.0007975400000000, 0.0030231100000000, -0.0002720600000000 ] - [ 0.0009520800000000, 0.0005110800000000, -0.0003394200000000 ] - [ -0.0007010600000000, -0.0010584100000000, -0.0003685900000000 ] - [ -0.0005258100000000, -0.0003372900000000, 0.0003798300000000 ] - [ -0.0019128900000000, -0.0007249000000000, -0.0026948200000000 ] - [ 0.0003649000000000, -0.0010378900000000, 0.0002494400000000 ] - [ -0.0002406600000000, 0.0035708000000000, 0.0035060600000000 ] - [ -0.0003502000000000, -0.0002455800000000, -0.0002202200000000 ] - [ 0.0090791600000000, 0.0036095200000000, 0.0012804200000000 ] - [ -0.0000881600000000, 0.0004372800000000, 0.0003321700000000 ] - [ 0.0006992800000000, -0.0002603900000000, -0.0002903100000000 ] - [ -0.0041823500000000, 0.0006023500000000, -0.0027726900000000 ] - [ 0.0003438200000000, 0.0000160800000000, 0.0004553300000000 ] - [ 0.0028868200000000, 0.0001453100000000, 0.0023337600000000 ] - [ -0.0008029500000000, -0.0006181500000000, -0.0007369600000000 ] - [ 0.0006033200000000, 0.0001050500000000, 0.0004416900000000 ] - [ -0.0029871800000000, -0.0044575200000000, 0.0011420600000000 ] - [ -0.0002882400000000, 0.0000549200000000, 0.0003437000000000 ] - [ -0.0072290400000000, 0.0075875300000000, 0.0010154600000000 ] - [ 0.0000680000000000, 0.0001297900000000, 0.0005204700000000 ] - [ -0.0034915300000000, -0.0019965000000000, 0.0009007400000000 ] - [ -0.0011202200000000, -0.0007687300000000, 0.0004513400000000 ] - [ -0.0002491300000000, 0.0013025200000000, -0.0001057900000000 ] - [ -0.0008711900000000, 0.0022310200000000, 0.0001793200000000 ] - [ 0.0008992800000000, 0.0012414500000000, 0.0009089700000000 ] - [ 0.0002719700000000, 0.0002928300000000, 0.0003740000000000 ] - [ 0.0059601600000000, -0.0073348800000000, -0.0042974000000000 ] - [ -0.0001863300000000, 0.0000677700000000, -0.0000134400000000 ] - [ -0.0029171800000000, 0.0016195400000000, 0.0087647000000000 ] - [ -0.0000128600000000, -0.0001214000000000, 0.0001638000000000 ] - [ -0.0000959400000000, -0.0000087100000000, -0.0002133600000000 ] - [ -0.0007076100000000, -0.0058286500000000, -0.0026326400000000 ] - [ 0.0001788100000000, -0.0000666000000000, -0.0007125900000000 ] - [ -0.0008754100000000, 0.0013973000000000, -0.0024398100000000 ] - [ -0.0145229600000000, -0.0321664900000000, -0.0011543000000000 ] - [ 0.0002697400000000, -0.0003475300000000, 0.0006115600000000 ]- atom: 9 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0023711400000000, -0.0033912600000000, -0.0012637800000000 ] - [ 0.0000974500000000, -0.0002143900000000, 0.0001761100000000 ] - [ -0.0040095600000000, 0.0017579500000000, 0.0071273900000000 ] - [ 0.0017264700000000, 0.0009881500000000, -0.0004176100000000 ] - [ 0.0018476000000000, 0.0020022900000000, 0.0017598500000000 ] - [ -0.0003000500000000, -0.0002653600000000, 0.0016623800000000 ] - [ 0.0016841500000000, -0.0003482800000000, -0.0024675000000000 ] - [ -0.0002784200000000, -0.0005517800000000, 0.0005189700000000 ] - [ 0.0272333500000000, 0.0209550300000000, -0.0426879900000000 ] - [ -0.0004768900000000, 0.0001241300000000, -0.0000983400000000 ] - [ -0.0006007900000000, 0.0007005800000000, -0.0013764700000000 ] - [ -0.0016509200000000, 0.0022962100000000, -0.0024191000000000 ] - [ 0.0004752300000000, -0.0006401700000000, 0.0001320000000000 ] - [ -0.0005286200000000, 0.0039146500000000, 0.0072970800000000 ] - [ -0.0010327400000000, 0.0016927200000000, 0.0047061200000000 ] - [ -0.0000270000000000, 0.0005991100000000, 0.0004455300000000 ] - [ 0.0005037000000000, 0.0001181200000000, 0.0003065700000000 ] - [ 0.0005657900000000, -0.0007647900000000, 0.0007601300000000 ] - [ -0.0007705100000000, -0.0018431900000000, 0.0034396200000000 ] - [ -0.0001429800000000, -0.0000878000000000, 0.0000750500000000 ] - [ 0.0002378100000000, 0.0003514800000000, -0.0007859900000000 ] - [ -0.0095923500000000, -0.0092927600000000, -0.0062786800000000 ] - [ -0.0011704500000000, -0.0014406600000000, -0.0003145400000000 ] - [ -0.0004285100000000, 0.0001029200000000, -0.0004301200000000 ] - [ -0.0004830500000000, 0.0001269400000000, 0.0003455200000000 ] - [ 0.0011849700000000, -0.0005606700000000, -0.0019589900000000 ] - [ -0.0005056700000000, -0.0009680200000000, 0.0018977100000000 ] - [ 0.0003945300000000, -0.0003367700000000, 0.0010080900000000 ] - [ -0.0005571400000000, 0.0003373500000000, 0.0007889200000000 ] - [ 0.0126648800000000, -0.0167184800000000, -0.0025585800000000 ] - [ 0.0002295400000000, -0.0005752300000000, 0.0002769200000000 ] - [ -0.0020118100000000, -0.0020317300000000, 0.0011547300000000 ] - [ 0.0056937300000000, 0.0021033200000000, 0.0013524700000000 ] - [ -0.0033198400000000, -0.0008722600000000, 0.0023147000000000 ] - [ 0.0010209300000000, 0.0058755800000000, -0.0012902400000000 ] - [ -0.0001690400000000, 0.0002268800000000, -0.0006359700000000 ] - [ -0.0049100600000000, -0.0265456900000000, -0.0026603900000000 ] - [ -0.0002869500000000, -0.0002191400000000, 0.0002100500000000 ] - [ -0.0083496900000000, 0.0103326600000000, 0.0330169700000000 ] - [ 0.0006349000000000, -0.0001010100000000, -0.0003174500000000 ] - [ -0.0049673800000000, -0.0065451500000000, 0.0046221200000000 ] - [ 0.0010555000000000, -0.0002879600000000, -0.0003600600000000 ] - [ -0.0005290400000000, -0.0003629500000000, -0.0000250600000000 ] - [ 0.0008518400000000, 0.0020581200000000, -0.0005402500000000 ] - [ -0.0000306100000000, 0.0001864000000000, -0.0002024000000000 ] - [ 0.0009955900000000, 0.0005338300000000, -0.0017692900000000 ] - [ -0.0013988400000000, 0.0041515000000000, -0.0014903000000000 ] - [ -0.0003229400000000, 0.0003910800000000, -0.0001044300000000 ] - [ -0.0006109800000000, -0.0001989500000000, -0.0000658300000000 ] - [ -0.0019681200000000, -0.0007830500000000, 0.0006311500000000 ] - [ -0.0013490300000000, -0.0010321800000000, -0.0000185100000000 ] - [ 0.0013686800000000, -0.0009751300000000, -0.0013034900000000 ] - [ 0.0004748000000000, -0.0009984100000000, 0.0037845400000000 ] - [ 0.0004430400000000, 0.0002238000000000, -0.0006357700000000 ] - [ 0.0008159400000000, 0.0003913400000000, -0.0019793100000000 ] - [ -0.0053656500000000, 0.0023227900000000, -0.0021474600000000 ] - [ -0.0002602700000000, 0.0009767700000000, -0.0004675400000000 ] - [ -0.0001387800000000, -0.0000952700000000, -0.0001452300000000 ] - [ 0.0002320300000000, 0.0008839300000000, 0.0003638500000000 ] - [ 0.0005815300000000, 0.0005751300000000, 0.0000592100000000 ] - [ 0.0052311900000000, 0.0039352800000000, -0.0102686800000000 ] - [ -0.0000713300000000, 0.0001978100000000, 0.0006408300000000 ] - [ -0.0000964800000000, 0.0005984300000000, 0.0000004800000000 ] - [ 0.0009265300000000, 0.0001290500000000, -0.0003439700000000 ] - [ 0.0047998700000000, -0.0073409500000000, -0.0054528300000000 ] - [ 0.0002203600000000, -0.0005191300000000, -0.0000132800000000 ] - [ 0.0005417400000000, 0.0006930700000000, -0.0004574700000000 ] - [ -0.0002193100000000, 0.0003385700000000, 0.0004049700000000 ] - [ 0.0013993500000000, 0.0004783000000000, -0.0012762700000000 ] - [ 0.0008127000000000, 0.0003475600000000, -0.0004238100000000 ] - [ -0.0028763100000000, -0.0024963600000000, -0.0085688700000000 ] - [ -0.0007475500000000, -0.0002754900000000, 0.0000484100000000 ] - [ -0.0003225800000000, -0.0003666800000000, -0.0006569200000000 ] - [ 0.0009097600000000, -0.0001829800000000, -0.0015660400000000 ] - [ -0.0005477800000000, -0.0007696200000000, 0.0007448300000000 ] - [ -0.0004397400000000, -0.0004041300000000, -0.0005216800000000 ] - [ 0.0025586700000000, 0.0038389200000000, 0.0029094500000000 ] - [ 0.0007300000000000, 0.0001684800000000, 0.0008496700000000 ] - [ 0.0003666800000000, -0.0003205100000000, -0.0005312800000000 ] - [ -0.0020115100000000, 0.0014029700000000, 0.0053007500000000 ] - [ 0.0007772400000000, -0.0000902800000000, 0.0002361600000000 ] - [ 0.0001929100000000, 0.0007406400000000, 0.0020088200000000 ] - [ -0.0002920100000000, -0.0000585600000000, -0.0017895200000000 ] - [ -0.0005147900000000, 0.0002580500000000, -0.0001423200000000 ] - [ -0.0128183800000000, -0.0016833500000000, 0.0098223300000000 ] - [ -0.0002341500000000, 0.0001172900000000, 0.0001834700000000 ] - [ -0.0000000100000000, 0.0004013300000000, 0.0018394700000000 ] - [ 0.0000068100000000, 0.0000992900000000, 0.0006529200000000 ] - [ -0.0032967000000000, -0.0009413100000000, 0.0014683300000000 ] - [ 0.0037548900000000, -0.0003396200000000, -0.0000788200000000 ] - [ -0.0001656400000000, 0.0006156500000000, -0.0003561000000000 ] - [ -0.0000779200000000, 0.0004100700000000, -0.0001503600000000 ] - [ 0.0001421700000000, -0.0001826000000000, -0.0000481300000000 ] - [ -0.0000194300000000, 0.0001222900000000, -0.0000365700000000 ] - [ 0.0076858500000000, 0.0084402800000000, -0.0022462200000000 ] - [ -0.0003569600000000, 0.0003848600000000, 0.0003646900000000 ] - [ -0.0002947100000000, -0.0017958100000000, -0.0001614800000000 ] - [ -0.0001244500000000, -0.0001727000000000, 0.0003254000000000 ] - [ -0.0004240100000000, 0.0003633500000000, -0.0002257000000000 ] - [ -0.0062790200000000, 0.0058423800000000, 0.0030350300000000 ] - [ -0.0001268000000000, -0.0001271000000000, -0.0008116200000000 ] - [ -0.0009113700000000, 0.0041480900000000, -0.0019892600000000 ] - [ -0.0049819500000000, -0.0039951700000000, 0.0056165100000000 ] - [ 0.0003536700000000, -0.0002619300000000, 0.0006476000000000 ]- atom: 9 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ -0.0014856600000000, 0.0032504200000000, 0.0011813900000000 ] - [ 0.0007911800000000, 0.0000310800000000, -0.0002254900000000 ] - [ 0.0049617600000000, -0.0016051600000000, -0.0071949200000000 ] - [ -0.0008353700000000, -0.0008083200000000, 0.0003684500000000 ] - [ -0.0027063300000000, -0.0021640300000000, -0.0017300800000000 ] - [ -0.0005964800000000, 0.0000856400000000, -0.0016147500000000 ] - [ -0.0019529000000000, -0.0007530800000000, 0.0033319300000000 ] - [ -0.0000318900000000, -0.0005298100000000, 0.0003752700000000 ] - [ -0.0259620700000000, -0.0211101100000000, 0.0416971600000000 ] - [ -0.0000940700000000, -0.0000516800000000, 0.0001915200000000 ] - [ 0.0011662500000000, -0.0007744800000000, 0.0012874600000000 ] - [ 0.0022127200000000, -0.0023535400000000, 0.0023044900000000 ] - [ -0.0001684000000000, -0.0004443300000000, -0.0010395900000000 ] - [ 0.0007968400000000, -0.0050258200000000, -0.0082074500000000 ] - [ 0.0007184300000000, -0.0005862900000000, -0.0038027800000000 ] - [ -0.0002807100000000, 0.0004866600000000, 0.0004460200000000 ] - [ 0.0000665200000000, -0.0000472400000000, -0.0004040600000000 ] - [ 0.0000056600000000, 0.0008380700000000, -0.0008400400000000 ] - [ 0.0002002300000000, 0.0017474500000000, -0.0033422700000000 ] - [ -0.0004264200000000, 0.0000199600000000, 0.0000179000000000 ] - [ 0.0000667900000000, 0.0007346300000000, -0.0001008100000000 ] - [ 0.0098693900000000, 0.0103023300000000, 0.0053089100000000 ] - [ 0.0002636500000000, 0.0016294900000000, 0.0003699100000000 ] - [ -0.0004620500000000, 0.0000789200000000, 0.0004738600000000 ] - [ 0.0006520500000000, -0.0001801000000000, -0.0015989600000000 ] - [ -0.0010285600000000, 0.0005302800000000, 0.0006997600000000 ] - [ 0.0003613100000000, 0.0010004800000000, -0.0006489300000000 ] - [ -0.0005463800000000, 0.0003682300000000, 0.0002572000000000 ] - [ 0.0005669300000000, 0.0002200300000000, 0.0004414100000000 ] - [ -0.0126756400000000, 0.0172922000000000, 0.0038100100000000 ] - [ -0.0002503000000000, 0.0000276600000000, 0.0009361500000000 ] - [ 0.0019976600000000, 0.0014688700000000, 0.0000589100000000 ] - [ -0.0056230700000000, -0.0021213800000000, -0.0026697900000000 ] - [ 0.0034493000000000, 0.0009026000000000, -0.0035734000000000 ] - [ -0.0011118200000000, -0.0052485700000000, 0.0002305500000000 ] - [ 0.0001779700000000, 0.0003269200000000, -0.0005867500000000 ] - [ 0.0045959000000000, 0.0268267600000000, 0.0041745500000000 ] - [ 0.0001390400000000, 0.0001892300000000, 0.0010518200000000 ] - [ 0.0082078500000000, -0.0108552500000000, -0.0340806600000000 ] - [ -0.0006338600000000, -0.0004524400000000, -0.0009068200000000 ] - [ 0.0069662800000000, 0.0059197100000000, -0.0054410300000000 ] - [ 0.0009012300000000, -0.0002604700000000, -0.0004790400000000 ] - [ -0.0004722300000000, -0.0006398400000000, -0.0001722600000000 ] - [ -0.0018495800000000, -0.0030463400000000, 0.0003513000000000 ] - [ 0.0002387100000000, 0.0002137000000000, -0.0004709700000000 ] - [ -0.0007855500000000, -0.0001337800000000, 0.0010904300000000 ] - [ 0.0007303100000000, -0.0033890400000000, 0.0008419400000000 ] - [ -0.0003760400000000, 0.0004071300000000, -0.0004972400000000 ] - [ -0.0013523100000000, -0.0003486900000000, 0.0009065100000000 ] - [ 0.0000083800000000, 0.0002385500000000, 0.0002027500000000 ] - [ 0.0016661000000000, 0.0004097200000000, -0.0000491600000000 ] - [ -0.0010497600000000, 0.0003302200000000, 0.0012118600000000 ] - [ -0.0014208900000000, 0.0005953700000000, -0.0048252500000000 ] - [ -0.0013325200000000, -0.0006888700000000, -0.0002834600000000 ] - [ -0.0005897700000000, -0.0002322500000000, 0.0009030900000000 ] - [ 0.0056189600000000, -0.0021634400000000, 0.0010734700000000 ] - [ -0.0000604200000000, -0.0016224900000000, 0.0005660400000000 ] - [ -0.0001734500000000, -0.0005447800000000, 0.0002311700000000 ] - [ 0.0007645700000000, 0.0000714500000000, -0.0002042000000000 ] - [ 0.0004198000000000, 0.0004261400000000, 0.0001358800000000 ] - [ -0.0047668600000000, -0.0033364500000000, 0.0115408500000000 ] - [ 0.0005271200000000, 0.0003929000000000, 0.0006216800000000 ] - [ 0.0003580900000000, -0.0007733000000000, -0.0010731200000000 ] - [ -0.0006730200000000, -0.0002946100000000, -0.0007303500000000 ] - [ -0.0037727000000000, 0.0063129700000000, 0.0056337700000000 ] - [ 0.0007854600000000, -0.0004836000000000, 0.0002099400000000 ] - [ -0.0002293500000000, -0.0000364100000000, 0.0003635700000000 ] - [ 0.0005296100000000, 0.0003043500000000, -0.0004934600000000 ] - [ 0.0005497500000000, 0.0000715100000000, 0.0004417300000000 ] - [ 0.0011477900000000, 0.0002015900000000, -0.0004195000000000 ] - [ 0.0026150800000000, 0.0023079900000000, 0.0096096600000000 ] - [ 0.0005061900000000, 0.0001108400000000, 0.0010306400000000 ] - [ 0.0010485300000000, -0.0004344400000000, 0.0013067500000000 ] - [ -0.0002051200000000, -0.0006124900000000, 0.0021646400000000 ] - [ -0.0001541100000000, -0.0000279800000000, -0.0013262700000000 ] - [ -0.0002591100000000, -0.0003924800000000, -0.0000807200000000 ] - [ -0.0016313500000000, -0.0034088800000000, -0.0020243600000000 ] - [ 0.0001638600000000, 0.0002976500000000, 0.0000702700000000 ] - [ -0.0001619800000000, -0.0000823700000000, -0.0001520600000000 ] - [ 0.0021989300000000, -0.0018117300000000, -0.0059791100000000 ] - [ -0.0000862200000000, 0.0008933500000000, 0.0003557100000000 ] - [ 0.0004954100000000, 0.0000599300000000, -0.0014102800000000 ] - [ -0.0006200700000000, 0.0005460600000000, 0.0008637000000000 ] - [ -0.0003834700000000, 0.0002115200000000, -0.0007799000000000 ] - [ 0.0111612600000000, 0.0021116500000000, -0.0076784000000000 ] - [ 0.0000285500000000, 0.0002852200000000, 0.0004950200000000 ] - [ -0.0002107900000000, -0.0002606100000000, -0.0007789500000000 ] - [ -0.0002553100000000, 0.0000686700000000, 0.0004249400000000 ] - [ 0.0013648100000000, 0.0015021800000000, -0.0006367300000000 ] - [ -0.0056875900000000, 0.0008864600000000, 0.0009168100000000 ] - [ -0.0002833400000000, -0.0000275900000000, -0.0009089800000000 ] - [ -0.0003821800000000, 0.0001830100000000, -0.0011042000000000 ] - [ 0.0007521500000000, -0.0002873100000000, 0.0009707400000000 ] - [ 0.0009152500000000, -0.0005911500000000, 0.0009550300000000 ] - [ -0.0079989300000000, -0.0079310000000000, 0.0022532400000000 ] - [ 0.0000443500000000, 0.0002565400000000, -0.0002761200000000 ] - [ 0.0001153800000000, 0.0014215400000000, 0.0007823400000000 ] - [ -0.0000829800000000, -0.0002275900000000, 0.0003506700000000 ] - [ -0.0005847300000000, 0.0006418800000000, 0.0000287900000000 ] - [ 0.0051193200000000, -0.0048163800000000, -0.0035588200000000 ] - [ -0.0003316300000000, -0.0004658000000000, -0.0004527800000000 ] - [ 0.0004660700000000, -0.0047420400000000, 0.0007157700000000 ] - [ 0.0055214500000000, 0.0035153700000000, -0.0043958200000000 ] - [ 0.0000991200000000, -0.0003272900000000, 0.0006147600000000 ]- atom: 25 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ -0.0054452500000000, -0.0020156300000000, -0.0057690900000000 ] - [ 0.0037819900000000, 0.0004378100000000, 0.0024549600000000 ] - [ -0.0083419400000000, -0.0328924200000000, -0.0091309700000000 ] - [ 0.0031468900000000, 0.0001633500000000, 0.0007990600000000 ] - [ -0.0058423700000000, -0.0020859700000000, -0.0005021100000000 ] - [ 0.0019160600000000, -0.0004807200000000, 0.0010893700000000 ] - [ 0.0011063900000000, -0.0000416300000000, 0.0004632200000000 ] - [ -0.0012898900000000, -0.0041455100000000, 0.0033436100000000 ] - [ -0.0009656500000000, -0.0001595500000000, -0.0008590600000000 ] - [ 0.0023404200000000, 0.0024085500000000, 0.0023785400000000 ] - [ -0.0030051400000000, 0.0008204200000000, -0.0019299900000000 ] - [ 0.0032721900000000, -0.0001541700000000, 0.0017394000000000 ] - [ 0.0199017500000000, 0.0172306200000000, -0.0097851400000000 ] - [ 0.0051415300000000, -0.0012714900000000, 0.0005864700000000 ] - [ 0.0026740000000000, 0.0011403900000000, 0.0002572000000000 ] - [ 0.0014691400000000, -0.0009473700000000, 0.0006277600000000 ] - [ 0.0013933000000000, -0.0360720100000000, -0.0047763000000000 ] - [ 0.0035914300000000, 0.0003531600000000, 0.0011327200000000 ] - [ 0.0208991200000000, 0.0059283100000000, 0.0151861900000000 ] - [ 0.0041677500000000, 0.0000146300000000, -0.0017488300000000 ] - [ -0.0010841400000000, 0.0041149300000000, 0.0046778300000000 ] - [ 0.0029352500000000, 0.0003435200000000, 0.0014349400000000 ] - [ 0.0032780300000000, 0.0104940700000000, -0.0099451400000000 ] - [ 0.0032549900000000, -0.0004594800000000, 0.0012361800000000 ] - [ -0.5576490700000000, 0.0057281000000000, 0.0326423200000000 ] - [ 0.0051538600000000, 0.0001084000000000, 0.0007277600000000 ] - [ -0.0123037000000000, 0.0075582200000000, 0.0022423000000000 ] - [ 0.0037751400000000, -0.0004074900000000, 0.0021172100000000 ] - [ -0.0118187900000000, 0.0040807400000000, -0.0018067700000000 ] - [ 0.0040763600000000, -0.0000683600000000, 0.0023104600000000 ] - [ -0.0042584000000000, 0.0004461900000000, -0.0096320200000000 ] - [ 0.0052845900000000, 0.0007867900000000, 0.0037446800000000 ] - [ -0.0080415600000000, 0.0051176400000000, -0.0084345200000000 ] - [ 0.0050015800000000, -0.0000634200000000, 0.0016807200000000 ] - [ 0.0064005600000000, 0.0023070000000000, -0.0046089400000000 ] - [ 0.0153372900000000, -0.0000193200000000, 0.0095974200000000 ] - [ -0.0013803400000000, -0.0038171000000000, -0.0036684700000000 ] - [ 0.0036961900000000, -0.0000642300000000, 0.0022710400000000 ] - [ 0.0028601300000000, -0.0043712000000000, 0.0057887500000000 ] - [ 0.0026201100000000, 0.0021653000000000, -0.0002924700000000 ] - [ -0.0000771500000000, 0.0003388900000000, 0.0008861700000000 ] - [ -0.0007207400000000, -0.0000107900000000, -0.0006942700000000 ] - [ 0.0005220100000000, 0.0003283700000000, 0.0011701200000000 ] - [ -0.0030469200000000, -0.0018786000000000, -0.0021059600000000 ] - [ -0.0035378700000000, 0.0018802800000000, 0.0068502500000000 ] - [ -0.0018098200000000, 0.0003635000000000, -0.0014702400000000 ] - [ -0.0001829100000000, 0.0005057900000000, 0.0011386300000000 ] - [ -0.0017017800000000, 0.0011705200000000, -0.0012812700000000 ] - [ 0.2243159900000000, -0.0079271800000000, -0.1220106000000000 ] - [ -0.0041827700000000, -0.0004729200000000, 0.0005164900000000 ] - [ 0.0031860100000000, -0.0026908800000000, 0.0006692000000000 ] - [ -0.0015171700000000, -0.0000386800000000, -0.0003849600000000 ] - [ 0.0051924800000000, 0.0002888900000000, 0.0042320700000000 ] - [ -0.0039300100000000, -0.0011360100000000, -0.0027093800000000 ] - [ 0.0086414900000000, 0.0026117900000000, 0.0026303300000000 ] - [ -0.0028046500000000, -0.0002950500000000, -0.0019574100000000 ] - [ 0.0060473200000000, -0.0031503900000000, -0.0028827100000000 ] - [ -0.0014985000000000, -0.0003445600000000, -0.0005865500000000 ] - [ -0.0017292400000000, -0.0013022900000000, 0.0001931400000000 ] - [ -0.0046548500000000, 0.0050778900000000, -0.0076257800000000 ] - [ -0.0033686400000000, 0.0043993700000000, -0.0023944700000000 ] - [ -0.0018304500000000, -0.0013146300000000, 0.0018136800000000 ] - [ 0.0046053100000000, -0.0001937900000000, 0.0051186900000000 ] - [ -0.0038337900000000, 0.0003174500000000, -0.0027538200000000 ] - [ -0.0017338500000000, 0.0014553400000000, -0.0014799800000000 ] - [ 0.0002826400000000, -0.0007975700000000, 0.0003587400000000 ] - [ 0.0719404600000000, 0.0560981700000000, -0.0232154200000000 ] - [ -0.0018279100000000, -0.0001437800000000, -0.0000538700000000 ] - [ 0.0028679700000000, -0.0062219500000000, -0.0049300300000000 ] - [ -0.0012055600000000, 0.0006463300000000, -0.0000169800000000 ] - [ -0.0004449700000000, 0.0058634200000000, -0.0042262100000000 ] - [ -0.0024561000000000, -0.0008525300000000, -0.0004070000000000 ] - [ 0.0031576900000000, -0.0066188300000000, 0.0121604900000000 ] - [ -0.0018744300000000, 0.0000192100000000, -0.0018798900000000 ] - [ 0.0018578600000000, -0.0016505700000000, 0.0005669400000000 ] - [ -0.0015008200000000, -0.0001761500000000, -0.0020434400000000 ] - [ 0.0036094300000000, 0.0009812200000000, 0.0030117600000000 ] - [ -0.0022089000000000, -0.0000246200000000, -0.0010772000000000 ] - [ 0.0028583000000000, -0.0004669100000000, -0.0003415600000000 ] - [ -0.0011644500000000, -0.0003868700000000, -0.0009155300000000 ] - [ 0.0586980200000000, 0.0204944000000000, 0.0322268500000000 ] - [ -0.0014889500000000, 0.0000648400000000, -0.0014270200000000 ] - [ 0.1685436400000000, -0.0475301400000000, 0.0884866600000000 ] - [ -0.0039288500000000, 0.0004871800000000, -0.0020177700000000 ] - [ -0.0003841600000000, 0.0000525400000000, -0.0024091300000000 ] - [ -0.0002011700000000, -0.0006406400000000, 0.0000009800000000 ] - [ -0.0017452700000000, -0.0008939600000000, 0.0032484200000000 ] - [ -0.0060430600000000, 0.0008208700000000, -0.0030614200000000 ] - [ 0.0004991600000000, -0.0027848700000000, 0.0014678700000000 ] - [ -0.0035699000000000, 0.0003722600000000, 0.0001149800000000 ] - [ 0.0011463800000000, 0.0010210700000000, 0.0022095100000000 ] - [ -0.0016856200000000, 0.0001369300000000, -0.0014291000000000 ] - [ 0.0109689200000000, 0.0020597300000000, 0.0039681300000000 ] - [ -0.0023426000000000, 0.0002466000000000, -0.0010477900000000 ] - [ -0.0014453100000000, 0.0057389000000000, 0.0039809600000000 ] - [ -0.0017322900000000, 0.0004190900000000, -0.0001640300000000 ] - [ -0.0058113100000000, -0.0009227600000000, 0.0027392500000000 ] - [ -0.0081188700000000, 0.0012294300000000, -0.0012346500000000 ] - [ 0.0016739200000000, -0.0063754200000000, -0.0016166400000000 ] - [ -0.0024319100000000, 0.0017147500000000, -0.0004945800000000 ] - [ 0.0029607800000000, 0.0006754200000000, -0.0003586800000000 ] - [ -0.0018264300000000, -0.0004874700000000, -0.0008301800000000 ] - [ -0.0012867000000000, 0.0008564300000000, 0.0019891900000000 ] - [ -0.0017389200000000, -0.0032171300000000, -0.0038542000000000 ]- atom: 25 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.0063527800000000, 0.0018347800000000, 0.0057595300000000 ] - [ -0.0028884900000000, -0.0006186700000000, -0.0024950700000000 ] - [ 0.0093384400000000, 0.0331677000000000, 0.0091071200000000 ] - [ -0.0022570800000000, 0.0000224300000000, -0.0008506400000000 ] - [ 0.0049554000000000, 0.0019018400000000, 0.0005597000000000 ] - [ -0.0028062300000000, 0.0002975100000000, -0.0010398400000000 ] - [ -0.0014124600000000, -0.0010524700000000, 0.0004364900000000 ] - [ 0.0009564600000000, 0.0030396000000000, -0.0024372000000000 ] - [ 0.0003999700000000, 0.0002396100000000, 0.0009628600000000 ] - [ -0.0029105400000000, -0.0023153100000000, -0.0022752800000000 ] - [ 0.0035712400000000, -0.0008916800000000, 0.0018280300000000 ] - [ -0.0026966500000000, 0.0000804400000000, -0.0018319200000000 ] - [ -0.0194657700000000, -0.0182249300000000, 0.0087754600000000 ] - [ -0.0048302600000000, 0.0001958800000000, -0.0014866400000000 ] - [ -0.0029832000000000, -0.0000621000000000, 0.0006371000000000 ] - [ -0.0017917600000000, 0.0020365900000000, 0.0002568500000000 ] - [ -0.0008402200000000, 0.0359166000000000, 0.0045932600000000 ] - [ -0.0030222100000000, -0.0002875200000000, -0.0012307900000000 ] - [ -0.0215443700000000, -0.0059506500000000, -0.0152400900000000 ] - [ -0.0047371800000000, -0.0000884300000000, 0.0018223600000000 ] - [ 0.0013320000000000, -0.0030463800000000, -0.0055242200000000 ] - [ -0.0026214200000000, 0.0007479600000000, -0.0023214300000000 ] - [ -0.0041422400000000, -0.0103846200000000, 0.0100913500000000 ] - [ -0.0041374000000000, 0.0006342300000000, -0.0011876700000000 ] - [ 0.5531352200000000, -0.0087983500000000, -0.0166576500000000 ] - [ -0.0050042500000000, -0.0001405600000000, -0.0019870800000000 ] - [ 0.0122279600000000, -0.0075199600000000, -0.0009747600000000 ] - [ -0.0039336800000000, 0.0004376900000000, -0.0008510000000000 ] - [ 0.0117529300000000, -0.0034906100000000, 0.0030112800000000 ] - [ -0.0040772500000000, 0.0006231400000000, -0.0010842100000000 ] - [ 0.0042432800000000, -0.0009841300000000, 0.0108354800000000 ] - [ -0.0052822000000000, -0.0013442200000000, -0.0025268300000000 ] - [ 0.0082008100000000, -0.0050576500000000, 0.0071590100000000 ] - [ -0.0048419200000000, 0.0001039400000000, -0.0029410600000000 ] - [ -0.0064458800000000, -0.0017535500000000, 0.0034036400000000 ] - [ -0.0152391600000000, 0.0005656500000000, -0.0107936100000000 ] - [ 0.0012460000000000, 0.0037754100000000, 0.0049416700000000 ] - [ -0.0038455200000000, 0.0000342100000000, -0.0010072700000000 ] - [ -0.0028367200000000, 0.0038045400000000, -0.0069935600000000 ] - [ -0.0026269900000000, -0.0027100300000000, -0.0009393400000000 ] - [ 0.0020265300000000, -0.0008745400000000, -0.0017277000000000 ] - [ 0.0026816000000000, -0.0005277300000000, -0.0001487300000000 ] - [ -0.0015172000000000, -0.0013395300000000, -0.0013489400000000 ] - [ 0.0020372100000000, 0.0008729500000000, 0.0019070500000000 ] - [ 0.0037736500000000, -0.0014962300000000, -0.0075195900000000 ] - [ 0.0020248900000000, 0.0000377800000000, 0.0007936600000000 ] - [ -0.0005275500000000, 0.0003017500000000, -0.0017493800000000 ] - [ 0.0009999000000000, -0.0003679300000000, 0.0006825200000000 ] - [ -0.2147821900000000, 0.0060766500000000, 0.1137563900000000 ] - [ 0.0022261500000000, -0.0000668200000000, 0.0003267000000000 ] - [ -0.0028844400000000, 0.0020509800000000, -0.0007526600000000 ] - [ 0.0018195100000000, -0.0006077700000000, 0.0003012700000000 ] - [ -0.0060939100000000, -0.0007718000000000, -0.0051615100000000 ] - [ 0.0030310800000000, 0.0006565400000000, 0.0017837400000000 ] - [ -0.0083609200000000, -0.0024173100000000, -0.0037150100000000 ] - [ 0.0030462600000000, 0.0004586700000000, 0.0008721200000000 ] - [ -0.0063703500000000, 0.0025092000000000, 0.0029635500000000 ] - [ 0.0011954500000000, -0.0002931600000000, 0.0006660600000000 ] - [ 0.0027412700000000, 0.0023126300000000, 0.0000022400000000 ] - [ 0.0056448400000000, -0.0040394400000000, 0.0078250900000000 ] - [ 0.0037784900000000, -0.0037893500000000, 0.0036513500000000 ] - [ 0.0022755300000000, 0.0019080900000000, -0.0005440000000000 ] - [ -0.0043716800000000, 0.0000271400000000, -0.0061848300000000 ] - [ 0.0040765700000000, -0.0004825100000000, 0.0016697700000000 ] - [ 0.0027292600000000, -0.0024495100000000, 0.0016760600000000 ] - [ 0.0007311400000000, -0.0002130800000000, -0.0001540300000000 ] - [ -0.0706355600000000, -0.0546819900000000, 0.0227065600000000 ] - [ 0.0021326100000000, 0.0007878200000000, -0.0000286000000000 ] - [ -0.0009356200000000, 0.0067828400000000, 0.0041189900000000 ] - [ 0.0031739000000000, -0.0001048200000000, -0.0008257900000000 ] - [ 0.0001883100000000, -0.0060158800000000, 0.0052974100000000 ] - [ 0.0022184300000000, 0.0006862700000000, 0.0014942800000000 ] - [ -0.0024536900000000, 0.0058078200000000, -0.0115322300000000 ] - [ 0.0025741600000000, -0.0008210600000000, 0.0024802300000000 ] - [ -0.0025753900000000, 0.0008522100000000, -0.0011798100000000 ] - [ 0.0008006000000000, -0.0006215400000000, 0.0014389100000000 ] - [ -0.0027331600000000, -0.0005133500000000, -0.0020950200000000 ] - [ 0.0030975100000000, 0.0005009600000000, 0.0019947000000000 ] - [ -0.0026266400000000, 0.0000658100000000, -0.0003308900000000 ] - [ 0.0013770600000000, -0.0000129900000000, 0.0002360400000000 ] - [ -0.0585966900000000, -0.0206856200000000, -0.0329305600000000 ] - [ 0.0021924300000000, 0.0007306200000000, 0.0020272000000000 ] - [ -0.1767573200000000, 0.0525588100000000, -0.0957213800000000 ] - [ 0.0030359400000000, -0.0000121800000000, 0.0010989600000000 ] - [ 0.0001640400000000, 0.0003428100000000, 0.0030753700000000 ] - [ -0.0000062200000000, 0.0010383600000000, 0.0006828800000000 ] - [ 0.0015102100000000, 0.0010749300000000, -0.0021863100000000 ] - [ 0.0057827500000000, -0.0006507600000000, 0.0041354400000000 ] - [ -0.0024682700000000, 0.0033439400000000, -0.0006107000000000 ] - [ 0.0016038300000000, 0.0001662900000000, 0.0007286400000000 ] - [ -0.0015819800000000, -0.0004327800000000, -0.0034662500000000 ] - [ 0.0012307600000000, 0.0004658700000000, 0.0001716500000000 ] - [ -0.0100938900000000, -0.0025450700000000, -0.0030756500000000 ] - [ 0.0032358300000000, -0.0007226500000000, 0.0019676500000000 ] - [ 0.0011118100000000, -0.0050857300000000, -0.0038908000000000 ] - [ 0.0014253800000000, 0.0002172600000000, 0.0002469100000000 ] - [ 0.0056227000000000, 0.0005211800000000, -0.0020644400000000 ] - [ 0.0078813000000000, -0.0016268900000000, 0.0019245800000000 ] - [ -0.0026534400000000, 0.0073371300000000, 0.0014215100000000 ] - [ 0.0014256800000000, -0.0007153300000000, 0.0002942700000000 ] - [ -0.0033838900000000, -0.0012886300000000, -0.0008999600000000 ] - [ 0.0013793000000000, -0.0001054000000000, -0.0004336600000000 ] - [ 0.0017390500000000, -0.0014611100000000, -0.0007366200000000 ] - [ 0.0021756000000000, 0.0026092400000000, 0.0050912800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012644100000000, -0.0049409400000000, -0.0011755000000000 ] - [ 0.0006784500000000, -0.0007223600000000, -0.0000936400000000 ] - [ -0.0181069300000000, 0.0393249100000000, -0.0115243700000000 ] - [ 0.0006936300000000, -0.0000405700000000, 0.0002111300000000 ] - [ -0.0001409400000000, 0.0068403100000000, -0.0010354400000000 ] - [ -0.0003009300000000, 0.0004479900000000, 0.0000625900000000 ] - [ 0.0009358600000000, 0.0001669900000000, 0.0009987000000000 ] - [ -0.0029052000000000, 0.0025151100000000, -0.0011293600000000 ] - [ -0.0012836700000000, 0.0002778800000000, -0.0002082400000000 ] - [ 0.0020124200000000, 0.0015522200000000, 0.0004429100000000 ] - [ -0.0006578100000000, 0.0065029900000000, -0.0015152700000000 ] - [ 0.0003415900000000, 0.0004533500000000, -0.0004077100000000 ] - [ 0.0011812600000000, -0.0057479600000000, -0.0020710400000000 ] - [ -0.0011685500000000, -0.0008291100000000, 0.0001310400000000 ] - [ 0.0014569600000000, 0.0018559000000000, 0.0024828600000000 ] - [ -0.0014237700000000, 0.0017650500000000, 0.0002980300000000 ] - [ -0.0269285500000000, 0.0118377800000000, 0.0172428300000000 ] - [ 0.0006377600000000, -0.0001834000000000, 0.0003261900000000 ] - [ -0.0096651300000000, -0.0090348200000000, -0.0062477100000000 ] - [ -0.0003747200000000, -0.0007107300000000, 0.0009759200000000 ] - [ 0.0101578500000000, 0.0019198200000000, 0.0200969900000000 ] - [ 0.0002629500000000, -0.0000576500000000, -0.0011831400000000 ] - [ 0.0258209800000000, 0.0153442100000000, -0.0225727800000000 ] - [ -0.0005622100000000, 0.0001671900000000, -0.0000495700000000 ] - [ 0.0104845100000000, -0.6726029200000000, -0.0308214300000000 ] - [ 0.0001998600000000, -0.0003203600000000, -0.0004916700000000 ] - [ 0.0074579600000000, -0.0030440100000000, 0.0114698600000000 ] - [ -0.0005017400000000, -0.0008185300000000, 0.0003203600000000 ] - [ 0.0062858900000000, 0.0122994900000000, 0.0028546100000000 ] - [ 0.0002888300000000, 0.0014221600000000, 0.0005496300000000 ] - [ -0.0086551800000000, -0.0066772800000000, -0.0067052000000000 ] - [ 0.0001015700000000, -0.0014221400000000, 0.0010906900000000 ] - [ -0.0049964300000000, 0.0006875700000000, 0.0038155100000000 ] - [ 0.0001584900000000, 0.0004623900000000, -0.0005704000000000 ] - [ 0.0059018500000000, -0.0041518600000000, 0.0065893400000000 ] - [ -0.0020504200000000, -0.0112805500000000, -0.0062320800000000 ] - [ 0.0037280700000000, 0.0138647900000000, 0.0026051600000000 ] - [ -0.0000222500000000, 0.0009505900000000, 0.0002962700000000 ] - [ -0.0017946600000000, 0.0028002000000000, -0.0044935400000000 ] - [ -0.0006838400000000, 0.0017821100000000, 0.0028855400000000 ] - [ 0.0003935100000000, -0.0033170500000000, -0.0005721600000000 ] - [ 0.0008950700000000, -0.0012725500000000, -0.0003032900000000 ] - [ 0.0020247200000000, 0.0063510400000000, -0.0041694400000000 ] - [ -0.0004015000000000, 0.0004453900000000, -0.0000443000000000 ] - [ 0.0017557000000000, 0.0007309300000000, 0.0015679800000000 ] - [ -0.0002547600000000, 0.0005420900000000, -0.0007069300000000 ] - [ -0.0035865400000000, -0.0058551300000000, -0.0011308200000000 ] - [ -0.0000286800000000, -0.0000842600000000, 0.0000080000000000 ] - [ -0.0146547800000000, 0.0636767600000000, 0.0141653400000000 ] - [ -0.0009452200000000, 0.0000757100000000, 0.0003437800000000 ] - [ 0.0017193600000000, -0.0029140400000000, -0.0009705500000000 ] - [ 0.0001919900000000, -0.0006052500000000, -0.0001262300000000 ] - [ 0.0008653100000000, 0.0006913500000000, -0.0012833000000000 ] - [ -0.0009057000000000, -0.0002387600000000, -0.0006195300000000 ] - [ -0.0045067300000000, -0.0079196800000000, 0.0002933800000000 ] - [ -0.0002137500000000, -0.0002066500000000, -0.0006918700000000 ] - [ -0.0025197800000000, 0.0041313300000000, 0.0008776900000000 ] - [ -0.0000907300000000, 0.0002055600000000, -0.0001126900000000 ] - [ -0.0008441800000000, 0.0008194900000000, -0.0012802100000000 ] - [ 0.0063443400000000, 0.0036342000000000, 0.0010565100000000 ] - [ 0.0025276700000000, -0.0027066200000000, 0.0025711800000000 ] - [ 0.0002738400000000, 0.0004810200000000, -0.0001981000000000 ] - [ 0.0018971600000000, 0.0036870000000000, 0.0089907200000000 ] - [ 0.0000954800000000, 0.0001617800000000, -0.0006142800000000 ] - [ 0.0015349300000000, -0.0026756100000000, 0.0003669600000000 ] - [ 0.0009981900000000, -0.0023057800000000, -0.0005657000000000 ] - [ 0.0583874000000000, 0.2972192700000000, -0.0827394600000000 ] - [ 0.0000844000000000, 0.0005051000000000, -0.0000916500000000 ] - [ -0.0026277800000000, 0.0049826900000000, -0.0023586800000000 ] - [ 0.0013001700000000, 0.0007394200000000, -0.0004706200000000 ] - [ 0.0010421400000000, -0.0026579800000000, 0.0030747500000000 ] - [ -0.0006409800000000, -0.0006174600000000, -0.0004438600000000 ] - [ 0.0002405900000000, 0.0023516600000000, -0.0028544000000000 ] - [ 0.0005638300000000, -0.0003477600000000, 0.0003420400000000 ] - [ -0.0023528000000000, -0.0012015200000000, -0.0028648500000000 ] - [ 0.0002057600000000, -0.0004832700000000, 0.0003997800000000 ] - [ -0.0030549200000000, -0.0085214300000000, 0.0012354600000000 ] - [ 0.0004058300000000, 0.0000430100000000, 0.0005490000000000 ] - [ -0.0000109300000000, -0.0043552200000000, -0.0017799800000000 ] - [ -0.0001195700000000, -0.0006003400000000, -0.0003970900000000 ] - [ 0.0280403200000000, 0.1801952500000000, 0.1428301000000000 ] - [ 0.0002279900000000, 0.0005303400000000, 0.0003104600000000 ] - [ -0.0575193200000000, 0.0857348500000000, -0.0428310000000000 ] - [ -0.0004900700000000, 0.0004659200000000, -0.0005773600000000 ] - [ 0.0000043600000000, 0.0003170100000000, 0.0021094200000000 ] - [ -0.0009186000000000, -0.0015307800000000, -0.0027030700000000 ] - [ -0.0099890700000000, 0.0048924900000000, 0.0012129300000000 ] - [ 0.0001520500000000, 0.0023770600000000, 0.0018700400000000 ] - [ 0.0029031400000000, -0.0054741600000000, -0.0039286600000000 ] - [ -0.0009318600000000, 0.0001374300000000, 0.0005639200000000 ] - [ 0.0015298500000000, -0.0002739400000000, 0.0033303600000000 ] - [ -0.0007196100000000, 0.0003781900000000, -0.0005778100000000 ] - [ -0.0012673300000000, -0.0041852500000000, -0.0073831800000000 ] - [ 0.0005784200000000, -0.0002022400000000, 0.0005937800000000 ] - [ 0.0039349200000000, -0.0082424200000000, -0.0029635200000000 ] - [ -0.0003036800000000, -0.0001186900000000, -0.0000186200000000 ] - [ 0.0021167100000000, 0.0019787400000000, -0.0033633600000000 ] - [ 0.0019472600000000, 0.0006679500000000, 0.0018468400000000 ] - [ -0.0025397700000000, -0.0022260200000000, 0.0008068100000000 ] - [ -0.0002416000000000, 0.0000346900000000, -0.0004513600000000 ] - [ -0.0006073900000000, -0.0066731000000000, 0.0003760200000000 ] - [ -0.0008302700000000, -0.0008790500000000, -0.0005682800000000 ] - [ -0.0015736200000000, 0.0020812300000000, 0.0003430700000000 ] - [ -0.0073190600000000, 0.0047702300000000, 0.0035018000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003600500000000, 0.0047604700000000, 0.0011286000000000 ] - [ 0.0002082700000000, 0.0005420100000000, 0.0000430800000000 ] - [ 0.0187480500000000, -0.0387406900000000, 0.0113628500000000 ] - [ 0.0001961100000000, 0.0002208300000000, -0.0002635600000000 ] - [ -0.0007493200000000, -0.0070340000000000, 0.0010462100000000 ] - [ -0.0005908100000000, -0.0006293900000000, -0.0000133200000000 ] - [ -0.0012524100000000, -0.0012493400000000, -0.0001157800000000 ] - [ 0.0025988800000000, -0.0035922300000000, 0.0020333900000000 ] - [ 0.0007072700000000, -0.0002148200000000, 0.0003075500000000 ] - [ -0.0025835500000000, -0.0014922100000000, -0.0003353500000000 ] - [ 0.0012219000000000, -0.0065716300000000, 0.0014303100000000 ] - [ 0.0002276100000000, -0.0005271000000000, 0.0003110500000000 ] - [ -0.0008492800000000, 0.0046141300000000, 0.0011683600000000 ] - [ 0.0014835700000000, -0.0002647100000000, -0.0010231600000000 ] - [ -0.0017776600000000, -0.0007674500000000, -0.0015900800000000 ] - [ 0.0011285800000000, -0.0006716200000000, 0.0005851200000000 ] - [ 0.0277270600000000, -0.0118444700000000, -0.0174484900000000 ] - [ -0.0000680000000000, 0.0002569100000000, -0.0004201300000000 ] - [ 0.0091152400000000, 0.0089960100000000, 0.0063644500000000 ] - [ -0.0002038700000000, 0.0006388400000000, -0.0008827100000000 ] - [ -0.0098630300000000, -0.0008450300000000, -0.0209502800000000 ] - [ 0.0000479000000000, 0.0011412900000000, 0.0002901000000000 ] - [ -0.0267797700000000, -0.0152770000000000, 0.0227243100000000 ] - [ -0.0003288300000000, 0.0000167400000000, 0.0000983000000000 ] - [ -0.0037062000000000, 0.6861968700000000, 0.0141044500000000 ] - [ -0.0000499000000000, 0.0002873400000000, -0.0007739700000000 ] - [ -0.0076603700000000, 0.0031538700000000, -0.0102817500000000 ] - [ 0.0003451900000000, 0.0008572500000000, 0.0009448800000000 ] - [ -0.0062023900000000, -0.0117152800000000, -0.0015684100000000 ] - [ -0.0002947400000000, -0.0008689900000000, 0.0006710100000000 ] - [ 0.0086606300000000, 0.0061670400000000, 0.0079023000000000 ] - [ -0.0001089100000000, 0.0008736400000000, 0.0001287800000000 ] - [ 0.0051612100000000, -0.0006714900000000, -0.0050891300000000 ] - [ -0.0000098500000000, -0.0004297900000000, -0.0006923800000000 ] - [ -0.0058862500000000, 0.0047152700000000, -0.0078326700000000 ] - [ 0.0020376300000000, 0.0118844400000000, 0.0049878200000000 ] - [ -0.0038701900000000, -0.0138432700000000, -0.0013086200000000 ] - [ -0.0001202000000000, -0.0009839700000000, 0.0009684500000000 ] - [ 0.0017420300000000, -0.0033920700000000, 0.0032569800000000 ] - [ 0.0006896000000000, -0.0023472900000000, -0.0041207100000000 ] - [ 0.0015664700000000, 0.0027723300000000, -0.0002734800000000 ] - [ 0.0010542400000000, 0.0007359400000000, -0.0005386700000000 ] - [ -0.0030231900000000, -0.0073768700000000, 0.0040057700000000 ] - [ -0.0006040500000000, -0.0014494300000000, -0.0001548400000000 ] - [ -0.0015502200000000, -0.0003542600000000, -0.0022169300000000 ] - [ 0.0004750500000000, -0.0001474100000000, 0.0000308800000000 ] - [ 0.0028789900000000, 0.0066397900000000, 0.0005112300000000 ] - [ -0.0006788100000000, 0.0008873300000000, -0.0006150600000000 ] - [ 0.0112578800000000, -0.0637836800000000, -0.0123853500000000 ] - [ -0.0010128700000000, -0.0006134700000000, 0.0004976300000000 ] - [ -0.0014337500000000, 0.0022995900000000, 0.0009116200000000 ] - [ 0.0001132500000000, -0.0000328500000000, 0.0000467500000000 ] - [ -0.0017633200000000, -0.0011598800000000, 0.0003587800000000 ] - [ 0.0000168800000000, -0.0002374300000000, -0.0003004400000000 ] - [ 0.0047027700000000, 0.0080493300000000, -0.0013810700000000 ] - [ 0.0004555600000000, 0.0003719100000000, -0.0003940600000000 ] - [ 0.0022138400000000, -0.0048042000000000, -0.0008017300000000 ] - [ -0.0002129700000000, -0.0008438300000000, 0.0001930400000000 ] - [ 0.0018398700000000, 0.0001709600000000, 0.0014798300000000 ] - [ -0.0053557100000000, -0.0026715200000000, -0.0008435400000000 ] - [ -0.0020941100000000, 0.0033508600000000, -0.0013222200000000 ] - [ 0.0001705000000000, 0.0001236300000000, 0.0014646200000000 ] - [ -0.0016696500000000, -0.0038578300000000, -0.0100547300000000 ] - [ 0.0001517400000000, -0.0003295200000000, -0.0004690700000000 ] - [ -0.0005208600000000, 0.0016803900000000, -0.0001647400000000 ] - [ 0.0000028400000000, 0.0013094100000000, 0.0007692900000000 ] - [ -0.0629573700000000, -0.3156951500000000, 0.0900074100000000 ] - [ 0.0002213000000000, 0.0001328400000000, 0.0000133100000000 ] - [ 0.0045978200000000, -0.0044762800000000, 0.0015330700000000 ] - [ 0.0006609800000000, -0.0002070600000000, -0.0003717600000000 ] - [ -0.0012485000000000, 0.0024943700000000, -0.0019453900000000 ] - [ 0.0004051600000000, 0.0004551800000000, 0.0015356200000000 ] - [ 0.0004591600000000, -0.0031357300000000, 0.0034500100000000 ] - [ 0.0001393700000000, -0.0004546600000000, 0.0002623200000000 ] - [ 0.0016645000000000, 0.0003886900000000, 0.0022804100000000 ] - [ -0.0009088000000000, -0.0003224900000000, -0.0010088400000000 ] - [ 0.0039244000000000, 0.0089351600000000, -0.0003096800000000 ] - [ 0.0004818100000000, 0.0004344500000000, 0.0003686300000000 ] - [ 0.0002190200000000, 0.0039481100000000, 0.0010748100000000 ] - [ 0.0003356600000000, 0.0002026100000000, -0.0002754600000000 ] - [ -0.0258693000000000, -0.1742172700000000, -0.1340029700000000 ] - [ 0.0004761800000000, 0.0002720000000000, 0.0002961200000000 ] - [ 0.0550020100000000, -0.0855719600000000, 0.0407983900000000 ] - [ -0.0003989300000000, 0.0000142500000000, -0.0003411300000000 ] - [ -0.0002139600000000, 0.0000891900000000, -0.0014279500000000 ] - [ 0.0007080100000000, 0.0019423600000000, 0.0033995200000000 ] - [ 0.0097447300000000, -0.0047298900000000, -0.0001127100000000 ] - [ -0.0003878300000000, -0.0022214500000000, -0.0007802400000000 ] - [ -0.0048916800000000, 0.0060661000000000, 0.0047804900000000 ] - [ -0.0010222800000000, 0.0004022100000000, 0.0002767000000000 ] - [ -0.0019654000000000, 0.0008553900000000, -0.0045946500000000 ] - [ 0.0002742300000000, 0.0002190000000000, -0.0006841800000000 ] - [ 0.0021632900000000, 0.0037051600000000, 0.0083596700000000 ] - [ 0.0003150100000000, -0.0002792500000000, 0.0003269000000000 ] - [ -0.0042092600000000, 0.0088441900000000, 0.0030120700000000 ] - [ -0.0000045800000000, 0.0007553900000000, 0.0000990600000000 ] - [ -0.0023574500000000, -0.0023793600000000, 0.0040512300000000 ] - [ -0.0021340500000000, -0.0010747300000000, -0.0011643100000000 ] - [ 0.0015090400000000, 0.0032461600000000, -0.0010101400000000 ] - [ -0.0007592400000000, 0.0009678100000000, 0.0002548400000000 ] - [ 0.0001363200000000, 0.0060638400000000, -0.0016465800000000 ] - [ 0.0003897400000000, 0.0002831800000000, -0.0006989000000000 ] - [ 0.0020106000000000, -0.0026692500000000, 0.0009289800000000 ] - [ 0.0077787500000000, -0.0053615400000000, -0.0022360000000000 ]- atom: 25 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ -0.0030875900000000, 0.0009580200000000, 0.0097230500000000 ] - [ 0.0005722400000000, -0.0005145900000000, -0.0005732400000000 ] - [ -0.0061672600000000, 0.0020849600000000, -0.0191138800000000 ] - [ 0.0001707100000000, -0.0002934400000000, 0.0002310300000000 ] - [ -0.0009863600000000, 0.0017807900000000, -0.0005715300000000 ] - [ -0.0003096300000000, 0.0001010200000000, -0.0000701400000000 ] - [ -0.0006710700000000, -0.0003211500000000, 0.0018143700000000 ] - [ 0.0024984900000000, 0.0010444000000000, -0.0007430100000000 ] - [ -0.0012864200000000, -0.0001997400000000, 0.0008309400000000 ] - [ 0.0015680700000000, 0.0006502300000000, -0.0009651300000000 ] - [ 0.0010361500000000, 0.0007641800000000, 0.0017200100000000 ] - [ 0.0001714500000000, 0.0000804200000000, 0.0000792800000000 ] - [ -0.0196480200000000, -0.0185751700000000, 0.0043986800000000 ] - [ 0.0002973100000000, -0.0005778600000000, -0.0009047500000000 ] - [ -0.0002236900000000, 0.0010591300000000, -0.0013583700000000 ] - [ -0.0010546900000000, 0.0018913800000000, 0.0010016500000000 ] - [ -0.0041776900000000, 0.0334806700000000, -0.0033060900000000 ] - [ 0.0000019600000000, 0.0001965500000000, -0.0004999100000000 ] - [ 0.0044896700000000, 0.0009476100000000, 0.0017044700000000 ] - [ -0.0018119400000000, 0.0000675000000000, 0.0037947500000000 ] - [ 0.0119080000000000, 0.0064515000000000, 0.0232031800000000 ] - [ -0.0001347500000000, 0.0004237800000000, 0.0000230900000000 ] - [ -0.0137765500000000, -0.0138492000000000, 0.0108730300000000 ] - [ -0.0010460400000000, 0.0004506000000000, -0.0000160100000000 ] - [ 0.2321659700000000, -0.0249519100000000, -0.5073292700000001 ] - [ -0.0006746600000000, 0.0000633700000000, -0.0008018900000000 ] - [ 0.0061859700000000, 0.0070011000000000, 0.0026171100000000 ] - [ -0.0002221200000000, -0.0001047500000000, 0.0009020800000000 ] - [ 0.0066552600000000, 0.0011955700000000, -0.0024757400000000 ] - [ -0.0006558900000000, 0.0002596600000000, 0.0006829800000000 ] - [ -0.0004591700000000, -0.0068359000000000, 0.0131752500000000 ] - [ 0.0003003600000000, 0.0002081800000000, 0.0003871600000000 ] - [ -0.0038824100000000, -0.0060387300000000, 0.0121498800000000 ] - [ 0.0002649600000000, -0.0000061800000000, -0.0006442500000000 ] - [ -0.0056211100000000, 0.0021913800000000, -0.0044419200000000 ] - [ -0.0035190800000000, -0.0037267300000000, -0.0151190700000000 ] - [ -0.0035164900000000, -0.0003332000000000, 0.0016065800000000 ] - [ -0.0000528600000000, 0.0003112900000000, 0.0001934100000000 ] - [ 0.0003588800000000, -0.0010649100000000, 0.0002515100000000 ] - [ -0.0009690200000000, -0.0006994400000000, 0.0039422400000000 ] - [ 0.0027116900000000, -0.0002044800000000, -0.0014744200000000 ] - [ 0.0007075500000000, -0.0006059700000000, -0.0000670400000000 ] - [ -0.0004830000000000, 0.0028530100000000, -0.0065211300000000 ] - [ -0.0008619500000000, -0.0005994900000000, -0.0003077300000000 ] - [ 0.0047863300000000, 0.0000866200000000, -0.0090595500000000 ] - [ -0.0001012700000000, 0.0000326700000000, 0.0000206700000000 ] - [ 0.0013253800000000, 0.0012750000000000, 0.0011220800000000 ] - [ -0.0001982700000000, 0.0000004600000000, -0.0002532800000000 ] - [ -0.1854051000000000, 0.0101649200000000, 0.1594201200000000 ] - [ -0.0006099000000000, -0.0003611000000000, 0.0004121100000000 ] - [ 0.0014767500000000, 0.0002073600000000, -0.0024701600000000 ] - [ 0.0000732500000000, -0.0002968600000000, 0.0000443000000000 ] - [ -0.0006137900000000, 0.0002936500000000, -0.0045033200000000 ] - [ -0.0007485600000000, -0.0000773400000000, -0.0004672900000000 ] - [ -0.0027315900000000, -0.0028104200000000, 0.0030429300000000 ] - [ 0.0003864100000000, 0.0001461800000000, -0.0005072300000000 ] - [ -0.0028316600000000, -0.0027171200000000, -0.0034568200000000 ] - [ -0.0003473300000000, -0.0001972500000000, 0.0000274000000000 ] - [ 0.0019110600000000, 0.0008316200000000, 0.0007376600000000 ] - [ 0.0028284500000000, -0.0027627800000000, 0.0095238300000000 ] - [ -0.0003407900000000, 0.0011518700000000, 0.0000049100000000 ] - [ 0.0018776400000000, 0.0014093900000000, -0.0015569000000000 ] - [ 0.0007668100000000, 0.0014588200000000, -0.0071534400000000 ] - [ 0.0002011000000000, -0.0001828900000000, -0.0003947200000000 ] - [ 0.0002561900000000, -0.0001520100000000, 0.0002090100000000 ] - [ 0.0004933400000000, -0.0008299900000000, -0.0013737500000000 ] - [ -0.0491739600000000, -0.0978382800000000, 0.0814372300000000 ] - [ 0.0004615200000000, 0.0003329700000000, -0.0001118200000000 ] - [ -0.0008544000000000, -0.0012430300000000, 0.0012801300000000 ] - [ 0.0012930800000000, 0.0004057100000000, -0.0010695900000000 ] - [ -0.0004330000000000, 0.0004480700000000, 0.0005779500000000 ] - [ -0.0003857900000000, -0.0000252800000000, -0.0005570600000000 ] - [ 0.0015270700000000, 0.0058366700000000, -0.0114574400000000 ] - [ 0.0002620500000000, -0.0003363200000000, 0.0003078400000000 ] - [ -0.0011935600000000, -0.0020123400000000, -0.0025328400000000 ] - [ -0.0004936200000000, -0.0006471900000000, -0.0000328000000000 ] - [ 0.0017617100000000, 0.0017478200000000, 0.0000908300000000 ] - [ 0.0005125200000000, 0.0001364600000000, 0.0005602000000000 ] - [ -0.0021725800000000, -0.0003749300000000, 0.0011352200000000 ] - [ 0.0004275800000000, -0.0002033200000000, -0.0005470400000000 ] - [ 0.0111452200000000, 0.1143396200000000, 0.1813971100000000 ] - [ 0.0006234100000000, 0.0004780500000000, 0.0004445100000000 ] - [ 0.0148381800000000, -0.0122003900000000, 0.0681561600000000 ] - [ 0.0003094000000000, 0.0003961600000000, -0.0003743400000000 ] - [ 0.0000741400000000, 0.0003020100000000, -0.0002964800000000 ] - [ -0.0012491500000000, -0.0013936600000000, -0.0030620000000000 ] - [ 0.0056842900000000, -0.0010167500000000, -0.0001314200000000 ] - [ 0.0005332800000000, 0.0010899400000000, 0.0028181700000000 ] - [ 0.0035752200000000, -0.0011863400000000, -0.0059869500000000 ] - [ -0.0010613000000000, 0.0002983100000000, 0.0004219200000000 ] - [ -0.0005602000000000, 0.0013880800000000, -0.0035476600000000 ] - [ -0.0003034500000000, 0.0001344700000000, -0.0007153700000000 ] - [ -0.0039897400000000, -0.0052545300000000, 0.0013624100000000 ] - [ 0.0005852200000000, -0.0002853900000000, 0.0004903100000000 ] - [ 0.0017992000000000, 0.0000392300000000, 0.0008985000000000 ] - [ -0.0000919900000000, 0.0003087800000000, 0.0000911800000000 ] - [ -0.0008840300000000, -0.0010601800000000, 0.0026798500000000 ] - [ 0.0084171000000000, -0.0018533800000000, 0.0048861700000000 ] - [ -0.0030235600000000, 0.0040525600000000, 0.0037393300000000 ] - [ -0.0001536000000000, 0.0005068700000000, 0.0001525300000000 ] - [ -0.0019639100000000, -0.0014611800000000, 0.0001750800000000 ] - [ 0.0001745400000000, -0.0002206500000000, -0.0005530300000000 ] - [ 0.0016205700000000, -0.0013090100000000, 0.0004231700000000 ] - [ -0.0068571600000000, 0.0039961200000000, 0.0060802500000000 ]- atom: 25 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0039627300000000, -0.0011304600000000, -0.0097992400000000 ] - [ 0.0003120100000000, 0.0003345100000000, 0.0005171300000000 ] - [ 0.0071163100000000, -0.0020062900000000, 0.0190733600000000 ] - [ 0.0007137700000000, 0.0004761800000000, -0.0002792600000000 ] - [ 0.0000917600000000, -0.0019785700000000, 0.0006441200000000 ] - [ -0.0005773900000000, -0.0002831300000000, 0.0001180300000000 ] - [ 0.0003526400000000, -0.0007751200000000, -0.0009286400000000 ] - [ -0.0028049900000000, -0.0021315400000000, 0.0016171100000000 ] - [ 0.0007023500000000, 0.0002848800000000, -0.0007483000000000 ] - [ -0.0021497200000000, -0.0005817200000000, 0.0010522600000000 ] - [ -0.0004497100000000, -0.0008377800000000, -0.0018332200000000 ] - [ 0.0003970200000000, -0.0001552800000000, -0.0001736100000000 ] - [ 0.0200899000000000, 0.0175237800000000, -0.0052508100000000 ] - [ 0.0000162100000000, -0.0005106700000000, 0.0000080500000000 ] - [ -0.0000856400000000, 0.0000290300000000, 0.0022513400000000 ] - [ 0.0007447200000000, -0.0008075300000000, -0.0000945100000000 ] - [ 0.0048295400000000, -0.0336202100000000, 0.0033146900000000 ] - [ 0.0005659200000000, -0.0001256000000000, 0.0004008100000000 ] - [ -0.0050597600000000, -0.0010057200000000, -0.0015613900000000 ] - [ 0.0012432700000000, -0.0001391400000000, -0.0036789600000000 ] - [ -0.0114519100000000, -0.0052561800000000, -0.0240305100000000 ] - [ 0.0004369300000000, 0.0006684000000000, -0.0009135500000000 ] - [ 0.0127796600000000, 0.0138761600000000, -0.0108571200000000 ] - [ 0.0001517000000000, -0.0002685100000000, 0.0000643900000000 ] - [ -0.2476084500000000, 0.0221516400000000, 0.5075621500000000 ] - [ 0.0008178200000000, -0.0000991600000000, -0.0004617300000000 ] - [ -0.0064139800000000, -0.0070645300000000, -0.0013074600000000 ] - [ 0.0000774000000000, 0.0001377300000000, 0.0003560900000000 ] - [ -0.0066801000000000, -0.0006445600000000, 0.0037019000000000 ] - [ 0.0006530600000000, 0.0002938100000000, 0.0005403500000000 ] - [ 0.0005381700000000, 0.0062339700000000, -0.0119008400000000 ] - [ -0.0003080500000000, -0.0007644200000000, 0.0008356900000000 ] - [ 0.0040284900000000, 0.0061412000000000, -0.0134433200000000 ] - [ -0.0001206400000000, 0.0000405100000000, -0.0006208400000000 ] - [ 0.0055770700000000, -0.0016181700000000, 0.0031617600000000 ] - [ 0.0034869000000000, 0.0042854100000000, 0.0138750700000000 ] - [ 0.0033681900000000, 0.0002811300000000, -0.0003686300000000 ] - [ -0.0001019000000000, -0.0003456700000000, 0.0010707400000000 ] - [ -0.0003657200000000, 0.0005029900000000, -0.0014544600000000 ] - [ 0.0009859300000000, 0.0001445300000000, -0.0051834200000000 ] - [ -0.0007740300000000, -0.0003344200000000, 0.0006515000000000 ] - [ 0.0012422200000000, 0.0000632600000000, -0.0007670800000000 ] - [ -0.0005447200000000, -0.0038569000000000, 0.0063106000000000 ] - [ -0.0001390500000000, -0.0004073600000000, 0.0001100600000000 ] - [ -0.0045767600000000, 0.0003223100000000, 0.0083523200000000 ] - [ 0.0003208500000000, 0.0003650800000000, -0.0006967900000000 ] - [ -0.0020396600000000, -0.0004831500000000, -0.0017237700000000 ] - [ -0.0005062600000000, 0.0007924000000000, -0.0003549300000000 ] - [ 0.1961486900000000, -0.0119725100000000, -0.1654848300000000 ] - [ -0.0013323100000000, -0.0001819900000000, 0.0004233700000000 ] - [ -0.0011595300000000, -0.0008709300000000, 0.0023822300000000 ] - [ 0.0002387000000000, -0.0003477100000000, -0.0001253200000000 ] - [ -0.0002708400000000, -0.0007809500000000, 0.0035885500000000 ] - [ -0.0001381300000000, -0.0003866600000000, -0.0004493400000000 ] - [ 0.0029992400000000, 0.0030165300000000, -0.0041495000000000 ] - [ -0.0001360600000000, 0.0000215100000000, -0.0005763200000000 ] - [ 0.0025733400000000, 0.0021275400000000, 0.0035554000000000 ] - [ 0.0000316700000000, -0.0004472800000000, 0.0000583900000000 ] - [ -0.0008939000000000, 0.0001800100000000, -0.0005318000000000 ] - [ -0.0018066800000000, 0.0037674700000000, -0.0093087300000000 ] - [ 0.0007742800000000, -0.0005371500000000, 0.0012373300000000 ] - [ -0.0014393500000000, -0.0008179700000000, 0.0028177100000000 ] - [ -0.0005452100000000, -0.0015923000000000, 0.0060306700000000 ] - [ 0.0000555000000000, 0.0000133400000000, -0.0006856100000000 ] - [ 0.0007481700000000, -0.0008507000000000, -0.0000155100000000 ] - [ 0.0005048300000000, -0.0001748600000000, 0.0015664100000000 ] - [ 0.0498324500000000, 0.0967795000000000, -0.0820709700000000 ] - [ -0.0001461900000000, 0.0003129000000000, 0.0000296300000000 ] - [ 0.0028150600000000, 0.0017748500000000, -0.0021484700000000 ] - [ 0.0006456600000000, 0.0001381200000000, 0.0002316100000000 ] - [ 0.0001845400000000, -0.0006033200000000, 0.0004868500000000 ] - [ 0.0001351700000000, -0.0001429300000000, 0.0016458300000000 ] - [ -0.0008492400000000, -0.0066869800000000, 0.0121063800000000 ] - [ 0.0004459700000000, -0.0004579300000000, 0.0002994900000000 ] - [ 0.0004982300000000, 0.0012400000000000, 0.0019239200000000 ] - [ -0.0002152000000000, -0.0001457700000000, -0.0005687600000000 ] - [ -0.0008684800000000, -0.0012746700000000, 0.0008466600000000 ] - [ 0.0003806100000000, 0.0003309600000000, 0.0003593400000000 ] - [ 0.0023911800000000, -0.0000186600000000, -0.0017976500000000 ] - [ -0.0002088600000000, -0.0001936100000000, -0.0001273600000000 ] - [ -0.0085627100000000, -0.1072990400000000, -0.1757948800000000 ] - [ 0.0000876200000000, 0.0003139400000000, 0.0001645500000000 ] - [ -0.0153248100000000, 0.0124058400000000, -0.0683397600000000 ] - [ -0.0011972800000000, 0.0000706200000000, -0.0005451900000000 ] - [ -0.0002862900000000, 0.0000906700000000, 0.0009610300000000 ] - [ 0.0010312300000000, 0.0018030200000000, 0.0037696200000000 ] - [ -0.0059022100000000, 0.0011946900000000, 0.0012477600000000 ] - [ -0.0007634200000000, -0.0009259900000000, -0.0017241500000000 ] - [ -0.0055486100000000, 0.0016946400000000, 0.0068354400000000 ] - [ -0.0008801900000000, 0.0002423700000000, 0.0004123000000000 ] - [ 0.0000900600000000, -0.0007700500000000, 0.0022916800000000 ] - [ -0.0001439600000000, 0.0004623700000000, -0.0005446700000000 ] - [ 0.0048777500000000, 0.0048174900000000, -0.0004813200000000 ] - [ 0.0003065800000000, -0.0001803000000000, 0.0004303600000000 ] - [ -0.0021391100000000, 0.0006360400000000, -0.0007917300000000 ] - [ -0.0002172700000000, 0.0003336100000000, -0.0000100200000000 ] - [ 0.0006520300000000, 0.0006519200000000, -0.0019749400000000 ] - [ -0.0085721500000000, 0.0014537700000000, -0.0042119900000000 ] - [ 0.0020404500000000, -0.0030392900000000, -0.0039422800000000 ] - [ -0.0008511600000000, 0.0004997600000000, -0.0003449900000000 ] - [ 0.0015319000000000, 0.0008535200000000, -0.0014490300000000 ] - [ -0.0006218800000000, -0.0003703800000000, -0.0007091700000000 ] - [ -0.0011626100000000, 0.0007108700000000, 0.0008469100000000 ] - [ 0.0073186600000000, -0.0045850600000000, -0.0048022900000000 ]- atom: 29 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ -0.0016377400000000, 0.0004342000000000, -0.0004723200000000 ] - [ 0.0025963000000000, -0.0004458800000000, 0.0017618800000000 ] - [ 0.0264744100000000, 0.0192457400000000, 0.0001318700000000 ] - [ 0.0045054800000000, -0.0008469700000000, -0.0006415100000000 ] - [ 0.0035415700000000, -0.0139189900000000, 0.0282067000000000 ] - [ 0.0014807500000000, 0.0001263500000000, 0.0011233900000000 ] - [ 0.0028052800000000, -0.0012334700000000, 0.0014897100000000 ] - [ -0.0113195100000000, -0.0025140700000000, 0.0062335500000000 ] - [ 0.0018636600000000, 0.0014605000000000, 0.0003576400000000 ] - [ 0.0078346100000000, -0.0065777600000000, 0.0173569500000000 ] - [ -0.0021190500000000, -0.0018609400000000, -0.0101260800000000 ] - [ 0.0046457200000000, -0.0003758600000000, 0.0025071300000000 ] - [ -0.0039558100000000, -0.0171653900000000, -0.0167636500000000 ] - [ 0.0036635400000000, -0.0000272600000000, 0.0005134900000000 ] - [ 0.0032845700000000, -0.0006536000000000, 0.0018356300000000 ] - [ 0.0078528300000000, 0.0062704600000000, -0.0078311500000000 ] - [ -0.0119717500000000, 0.0108601000000000, -0.0041185200000000 ] - [ 0.0030817500000000, -0.0002747300000000, 0.0009572400000000 ] - [ 0.0021398100000000, 0.0011792700000000, 0.0013447800000000 ] - [ 0.0011422800000000, -0.0008910600000000, -0.0015178000000000 ] - [ -0.0074200800000000, 0.0013974900000000, -0.0025650400000000 ] - [ 0.0033299700000000, 0.0010809800000000, 0.0012016500000000 ] - [ -0.0006499700000000, -0.0033170600000000, -0.0020121600000000 ] - [ 0.0027426600000000, 0.0018529000000000, 0.0017549000000000 ] - [ -0.0116701500000000, 0.0062120600000000, 0.0015996900000000 ] - [ 0.0041529800000000, 0.0002733900000000, 0.0004209500000000 ] - [ 0.0027653700000000, -0.0017341200000000, 0.0022139600000000 ] - [ 0.0025320600000000, -0.0006706700000000, 0.0006509400000000 ] - [ -0.5633028200000000, 0.0005583800000000, -0.0007138400000000 ] - [ 0.0050743400000000, 0.0003217900000000, 0.0027995100000000 ] - [ -0.0033815700000000, -0.0003669500000000, -0.0083685000000000 ] - [ 0.0043983800000000, -0.0003829900000000, 0.0031524700000000 ] - [ -0.0041495900000000, 0.0086603100000000, -0.0029637900000000 ] - [ 0.0053671200000000, -0.0000836700000000, 0.0019794200000000 ] - [ 0.0021264100000000, 0.0006935900000000, -0.0001552800000000 ] - [ 0.0025064300000000, -0.0020552800000000, -0.0004801800000000 ] - [ 0.0063292900000000, -0.0058945800000000, -0.0027261300000000 ] - [ 0.0152854000000000, 0.0020265800000000, 0.0033372300000000 ] - [ 0.0117116500000000, 0.0021134200000000, 0.0064817300000000 ] - [ 0.0019570300000000, 0.0014533600000000, -0.0036539500000000 ] - [ -0.0024788900000000, 0.0006956300000000, 0.0008154600000000 ] - [ -0.0022292000000000, -0.0046909100000000, -0.0049481300000000 ] - [ 0.0011053000000000, -0.0004208500000000, 0.0025782000000000 ] - [ -0.0024579400000000, -0.0014039700000000, -0.0013275000000000 ] - [ -0.0009591700000000, -0.0031720600000000, 0.0071264100000000 ] - [ -0.0014696700000000, 0.0008235900000000, -0.0014124700000000 ] - [ -0.0024325600000000, 0.0023840000000000, -0.0007148400000000 ] - [ -0.0045340200000000, -0.0012964900000000, -0.0010873900000000 ] - [ 0.0071029300000000, 0.0014538900000000, -0.0006569800000000 ] - [ -0.0033442200000000, -0.0003645100000000, 0.0005256200000000 ] - [ 0.0063326200000000, -0.0032195600000000, -0.0054299000000000 ] - [ -0.0016158300000000, -0.0000685400000000, -0.0007809800000000 ] - [ 0.0013088800000000, -0.0019603500000000, 0.0012546300000000 ] - [ -0.0037917800000000, -0.0001668600000000, -0.0029156400000000 ] - [ 0.2273297200000000, 0.0532694500000000, 0.0859148600000000 ] - [ -0.0035322700000000, -0.0005293400000000, -0.0019681500000000 ] - [ -0.0000269500000000, 0.0008935200000000, -0.0009288800000000 ] - [ -0.0009674200000000, -0.0002457300000000, -0.0001828300000000 ] - [ -0.0008540000000000, 0.0002823500000000, -0.0006108200000000 ] - [ 0.0009350100000000, -0.0000085200000000, -0.0037479000000000 ] - [ -0.0037241800000000, -0.0020468700000000, 0.0003550300000000 ] - [ -0.0019930900000000, 0.0008610000000000, 0.0033465000000000 ] - [ 0.0032438500000000, -0.0001916400000000, 0.0026205500000000 ] - [ -0.0030896800000000, 0.0002766900000000, -0.0025113100000000 ] - [ -0.0037257800000000, 0.0011416300000000, -0.0021115500000000 ] - [ 0.0003959200000000, -0.0003663400000000, 0.0044807100000000 ] - [ 0.0034672800000000, -0.0001201000000000, -0.0009070200000000 ] - [ -0.0016718300000000, -0.0003154600000000, 0.0000351600000000 ] - [ 0.0000928500000000, 0.0005981500000000, -0.0008644000000000 ] - [ -0.0002771100000000, -0.0003529500000000, 0.0005142800000000 ] - [ -0.0122067800000000, -0.0024864200000000, -0.0076769100000000 ] - [ -0.0016693500000000, -0.0006513600000000, 0.0006363800000000 ] - [ 0.0044574600000000, -0.0027009000000000, 0.0060973400000000 ] - [ -0.0017436500000000, 0.0000851300000000, -0.0019461800000000 ] - [ -0.0011350200000000, 0.0010175200000000, -0.0007062700000000 ] - [ -0.0000048600000000, -0.0001291200000000, -0.0008405600000000 ] - [ -0.0003678000000000, 0.0026635400000000, 0.0026801300000000 ] - [ -0.0048374300000000, -0.0011122800000000, -0.0022296400000000 ] - [ 0.0664134200000000, -0.0081480900000000, -0.0448112200000000 ] - [ -0.0019036700000000, -0.0005107400000000, -0.0011457500000000 ] - [ 0.0056300300000000, -0.0051520200000000, 0.0036375600000000 ] - [ -0.0013946100000000, 0.0001627200000000, -0.0011889900000000 ] - [ 0.0011017800000000, -0.0062035700000000, 0.0006383100000000 ] - [ -0.0030102500000000, 0.0008679600000000, -0.0015274400000000 ] - [ -0.0024242200000000, -0.0015298200000000, -0.0031743400000000 ] - [ 0.0020067500000000, -0.0003231000000000, 0.0006589700000000 ] - [ -0.0007892700000000, 0.0003673800000000, 0.0004823400000000 ] - [ -0.0028234400000000, 0.0003468400000000, -0.0009057600000000 ] - [ 0.0021029000000000, -0.0018783700000000, 0.0022129300000000 ] - [ -0.0040130400000000, 0.0003901500000000, -0.0000037900000000 ] - [ -0.0002937800000000, 0.0022386100000000, 0.0030488500000000 ] - [ -0.0021911600000000, 0.0005575600000000, -0.0012402200000000 ] - [ 0.0055804300000000, 0.0068905100000000, 0.0009316300000000 ] - [ -0.0013744000000000, 0.0000424000000000, -0.0002439100000000 ] - [ -0.0070915400000000, 0.0024817700000000, 0.0035889400000000 ] - [ -0.0047201600000000, 0.0010534100000000, -0.0001667600000000 ] - [ -0.0014779700000000, -0.0003705900000000, 0.0003749100000000 ] - [ -0.0013379100000000, 0.0029054800000000, 0.0004596500000000 ] - [ 0.1367630300000000, -0.1199435700000000, 0.0073391000000000 ] - [ -0.0028993300000000, 0.0011667000000000, -0.0011885900000000 ] - [ 0.1062424000000000, 0.0775218400000000, -0.0625135100000000 ] - [ -0.0024122600000000, -0.0005392500000000, -0.0008466900000000 ] - [ -0.0007828600000000, -0.0005598400000000, 0.0003695300000000 ] - [ 0.0008541800000000, 0.0048111100000000, -0.0015633100000000 ]- atom: 29 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.0025358900000000, -0.0006240300000000, 0.0004354100000000 ] - [ -0.0017196600000000, 0.0002460400000000, -0.0018162800000000 ] - [ -0.0257215300000000, -0.0191941900000000, -0.0002834300000000 ] - [ -0.0036046200000000, 0.0010256400000000, 0.0005759200000000 ] - [ -0.0044209200000000, 0.0137408700000000, -0.0282745700000000 ] - [ -0.0023720800000000, -0.0003154500000000, -0.0010748500000000 ] - [ -0.0031138500000000, 0.0001439300000000, -0.0005872300000000 ] - [ 0.0109004700000000, 0.0014499600000000, -0.0053576700000000 ] - [ -0.0024359500000000, -0.0013961000000000, -0.0002536700000000 ] - [ -0.0084525400000000, 0.0065332200000000, -0.0171714500000000 ] - [ 0.0027384900000000, 0.0017906100000000, 0.0100860800000000 ] - [ -0.0040576700000000, 0.0002999000000000, -0.0025890600000000 ] - [ 0.0041925300000000, 0.0160447100000000, 0.0158874600000000 ] - [ -0.0033492500000000, -0.0010730500000000, -0.0014097900000000 ] - [ -0.0035914900000000, 0.0017508600000000, -0.0009465100000000 ] - [ -0.0081455100000000, -0.0050999800000000, 0.0086311000000000 ] - [ 0.0125617900000000, -0.0108191900000000, 0.0040409600000000 ] - [ -0.0025090100000000, 0.0003478600000000, -0.0010527300000000 ] - [ -0.0027038900000000, -0.0012496200000000, -0.0012470300000000 ] - [ -0.0017382400000000, 0.0008180800000000, 0.0016123900000000 ] - [ 0.0077414200000000, -0.0002957700000000, 0.0016592700000000 ] - [ -0.0030169600000000, 0.0000140400000000, -0.0020974400000000 ] - [ -0.0002229400000000, 0.0035339500000000, 0.0020658400000000 ] - [ -0.0036299500000000, -0.0016302400000000, -0.0016987200000000 ] - [ 0.0118685800000000, -0.0062620200000000, -0.0028777800000000 ] - [ -0.0040025800000000, -0.0003089700000000, -0.0016627300000000 ] - [ -0.0029115100000000, 0.0017840200000000, -0.0009742500000000 ] - [ -0.0026988500000000, 0.0007138400000000, 0.0005794000000000 ] - [ 0.5730200400000000, 0.0080941700000000, 0.0125972000000000 ] - [ -0.0050816800000000, 0.0002443200000000, -0.0015887200000000 ] - [ 0.0033791400000000, -0.0002092500000000, 0.0095925200000000 ] - [ -0.0044107200000000, -0.0001806700000000, -0.0019421300000000 ] - [ 0.0043089600000000, -0.0086323500000000, 0.0017650100000000 ] - [ -0.0052056400000000, 0.0001184000000000, -0.0032149800000000 ] - [ -0.0021010300000000, -0.0001243500000000, -0.0010523500000000 ] - [ -0.0025365500000000, 0.0026247300000000, -0.0007553300000000 ] - [ -0.0065108800000000, 0.0058724000000000, 0.0039723600000000 ] - [ -0.0152547500000000, -0.0020390100000000, -0.0021276000000000 ] - [ -0.0116934200000000, -0.0026771300000000, -0.0076900800000000 ] - [ -0.0019541400000000, -0.0020410200000000, 0.0024049800000000 ] - [ 0.0044343100000000, -0.0012609900000000, -0.0016582800000000 ] - [ 0.0041059800000000, 0.0041260100000000, 0.0040384600000000 ] - [ -0.0021131900000000, -0.0005806700000000, -0.0027732200000000 ] - [ 0.0014419500000000, 0.0003894000000000, 0.0011355300000000 ] - [ 0.0011983900000000, 0.0036036600000000, -0.0078456000000000 ] - [ 0.0016695400000000, -0.0004138100000000, 0.0007342800000000 ] - [ 0.0017377600000000, -0.0016125700000000, 0.0001380300000000 ] - [ 0.0038059800000000, 0.0020486700000000, 0.0005213100000000 ] - [ -0.0090875100000000, -0.0020371800000000, 0.0014998600000000 ] - [ 0.0013912600000000, -0.0002052200000000, 0.0003121000000000 ] - [ -0.0060309700000000, 0.0025583000000000, 0.0053044900000000 ] - [ 0.0019044400000000, -0.0005972500000000, 0.0006797900000000 ] - [ -0.0022168900000000, 0.0014967600000000, -0.0021800800000000 ] - [ 0.0029100400000000, -0.0002877000000000, 0.0020082600000000 ] - [ -0.2397891600000000, -0.0572898100000000, -0.0950649900000000 ] - [ 0.0037775200000000, 0.0006866900000000, 0.0008909500000000 ] - [ -0.0002773400000000, -0.0015623400000000, 0.0010225800000000 ] - [ 0.0006764400000000, -0.0004267500000000, 0.0002852400000000 ] - [ 0.0018615400000000, 0.0007208700000000, 0.0008029700000000 ] - [ 0.0001172100000000, 0.0010496100000000, 0.0039669300000000 ] - [ 0.0041863700000000, 0.0026344900000000, 0.0008885300000000 ] - [ 0.0024802700000000, -0.0002485900000000, -0.0021013000000000 ] - [ -0.0030028100000000, 0.0000336900000000, -0.0037057000000000 ] - [ 0.0033449100000000, -0.0004398600000000, 0.0014324100000000 ] - [ 0.0047219800000000, -0.0021426800000000, 0.0022989900000000 ] - [ 0.0006173500000000, -0.0006438000000000, -0.0042637200000000 ] - [ -0.0031935700000000, 0.0007842000000000, 0.0008243800000000 ] - [ 0.0019647400000000, 0.0009788400000000, -0.0001302500000000 ] - [ 0.0018441400000000, -0.0000349000000000, 0.0000291800000000 ] - [ 0.0022444900000000, 0.0009039900000000, -0.0013491500000000 ] - [ 0.0118939700000000, 0.0023216400000000, 0.0087257200000000 ] - [ 0.0014304800000000, 0.0005000600000000, 0.0004570500000000 ] - [ -0.0037638900000000, 0.0019102400000000, -0.0055656400000000 ] - [ 0.0024399100000000, -0.0008604800000000, 0.0025190500000000 ] - [ 0.0004286100000000, -0.0018028500000000, 0.0001137700000000 ] - [ -0.0006753900000000, -0.0006501800000000, 0.0002736500000000 ] - [ 0.0012650300000000, -0.0022108300000000, -0.0017901300000000 ] - [ 0.0056833600000000, 0.0015603100000000, 0.0031246400000000 ] - [ -0.0657156700000000, 0.0075223300000000, 0.0434983900000000 ] - [ 0.0021045500000000, 0.0001022500000000, 0.0004675800000000 ] - [ -0.0049505300000000, 0.0059571500000000, -0.0030481300000000 ] - [ 0.0020889100000000, 0.0006168100000000, 0.0017601600000000 ] - [ -0.0020193800000000, 0.0066535400000000, -0.0015511300000000 ] - [ 0.0021305200000000, -0.0003947000000000, 0.0006270500000000 ] - [ 0.0022196600000000, 0.0019388600000000, 0.0038417700000000 ] - [ -0.0022028300000000, 0.0007380200000000, 0.0000582800000000 ] - [ 0.0005244500000000, -0.0002091800000000, 0.0005881200000000 ] - [ 0.0026048000000000, -0.0001974900000000, 0.0019935700000000 ] - [ -0.0040542700000000, 0.0024481200000000, -0.0013873400000000 ] - [ 0.0020514600000000, 0.0001848900000000, 0.0008402600000000 ] - [ -0.0002007000000000, -0.0016328200000000, -0.0042764800000000 ] - [ 0.0017170700000000, 0.0000296700000000, -0.0000057400000000 ] - [ -0.0047346200000000, -0.0073563300000000, -0.0000327500000000 ] - [ 0.0022710800000000, -0.0005124000000000, 0.0011571500000000 ] - [ 0.0068118000000000, -0.0018226500000000, -0.0034985000000000 ] - [ 0.0043887200000000, -0.0003659600000000, 0.0002680600000000 ] - [ 0.0012697800000000, -0.0000394600000000, 0.0003035900000000 ] - [ 0.0011692100000000, -0.0033472600000000, 0.0002325600000000 ] - [ -0.1351039300000000, 0.1150540600000000, -0.0073805800000000 ] - [ 0.0018861100000000, -0.0001551000000000, 0.0009966700000000 ] - [ -0.1065834700000000, -0.0757154800000000, 0.0594823400000000 ] - [ 0.0019375300000000, -0.0000530000000000, -0.0003935200000000 ] - [ 0.0012527800000000, -0.0000300400000000, 0.0008701600000000 ] - [ -0.0003698400000000, -0.0054319400000000, 0.0028288700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005102200000000, 0.0025051000000000, 0.0008180400000000 ] - [ 0.0003222000000000, 0.0011333300000000, -0.0005571900000000 ] - [ 0.0105307800000000, 0.0042394700000000, 0.0016394500000000 ] - [ -0.0008814000000000, 0.0000360100000000, 0.0006416300000000 ] - [ -0.0042917400000000, -0.0095375200000000, 0.0048106400000000 ] - [ 0.0000859700000000, -0.0012044200000000, 0.0003241200000000 ] - [ -0.0003928400000000, -0.0007477900000000, -0.0000529100000000 ] - [ 0.0093559200000000, 0.0083950200000000, 0.0157051900000000 ] - [ 0.0002472000000000, -0.0001968200000000, 0.0003378000000000 ] - [ -0.0133301900000000, 0.0007874800000000, -0.0240108000000000 ] - [ -0.0091198500000000, -0.0023009900000000, 0.0074439900000000 ] - [ 0.0006786800000000, -0.0005971400000000, 0.0003113900000000 ] - [ -0.0077883000000000, 0.0293414900000000, 0.0190463400000000 ] - [ 0.0004383800000000, -0.0003398600000000, -0.0007071200000000 ] - [ -0.0002793100000000, -0.0000613400000000, 0.0002585200000000 ] - [ 0.0205662200000000, 0.0057468900000000, -0.0084472300000000 ] - [ -0.0058098100000000, 0.0323495000000000, -0.0087799600000000 ] - [ 0.0007078400000000, 0.0002211500000000, 0.0001877400000000 ] - [ 0.0001930900000000, 0.0012150300000000, 0.0005788700000000 ] - [ -0.0013586600000000, 0.0033675500000000, 0.0014878800000000 ] - [ 0.0022026300000000, 0.0028782900000000, -0.0064887000000000 ] - [ 0.0002284000000000, 0.0009300500000000, -0.0003535700000000 ] - [ -0.0021770300000000, 0.0012817300000000, -0.0007372400000000 ] - [ 0.0003065700000000, 0.0013004900000000, 0.0011493700000000 ] - [ 0.0038406900000000, 0.0119781900000000, 0.0019634700000000 ] - [ -0.0002730700000000, 0.0011288900000000, -0.0007973200000000 ] - [ -0.0041828400000000, 0.0031167600000000, -0.0019805300000000 ] - [ 0.0023645600000000, 0.0020812600000000, 0.0012173900000000 ] - [ -0.0113223500000000, -0.5889754800000000, 0.0097237600000000 ] - [ 0.0000293400000000, -0.0002538800000000, 0.0005682900000000 ] - [ 0.0000630700000000, 0.0089567900000000, -0.0053552500000000 ] - [ 0.0000929500000000, 0.0001155400000000, 0.0006139900000000 ] - [ -0.0006270100000000, -0.0063728700000000, 0.0061630600000000 ] - [ -0.0009943400000000, -0.0011280000000000, -0.0016171100000000 ] - [ -0.0004067100000000, 0.0010394800000000, -0.0010016300000000 ] - [ 0.0023846000000000, 0.0199124500000000, -0.0005281400000000 ] - [ -0.0021016000000000, -0.0044561000000000, -0.0023097700000000 ] - [ 0.0002231000000000, -0.0116109500000000, 0.0051027100000000 ] - [ 0.0024088300000000, -0.0004328400000000, 0.0009451100000000 ] - [ 0.0017510000000000, -0.0126568500000000, 0.0022411100000000 ] - [ 0.0013257300000000, 0.0010318700000000, -0.0000903300000000 ] - [ 0.0005963400000000, 0.0113721200000000, -0.0001591400000000 ] - [ -0.0023521100000000, -0.0055188300000000, 0.0012232100000000 ] - [ -0.0005435300000000, -0.0008817800000000, -0.0000462100000000 ] - [ -0.0016209200000000, -0.0074567700000000, 0.0069254900000000 ] - [ 0.0001089700000000, 0.0001532900000000, -0.0002975900000000 ] - [ 0.0001766400000000, 0.0011104600000000, 0.0006123000000000 ] - [ -0.0074336200000000, 0.0030328900000000, -0.0073069200000000 ] - [ -0.0024421200000000, -0.0085291300000000, -0.0005208600000000 ] - [ -0.0009405700000000, -0.0006943500000000, 0.0003950900000000 ] - [ 0.0017598800000000, 0.0032296600000000, -0.0012424700000000 ] - [ 0.0000947800000000, 0.0003921900000000, 0.0001195800000000 ] - [ -0.0014667500000000, 0.0007612600000000, -0.0020491000000000 ] - [ 0.0005759300000000, -0.0000552500000000, 0.0004721000000000 ] - [ 0.0535400100000000, 0.0683674200000000, 0.0201521200000000 ] - [ 0.0003373700000000, 0.0003984600000000, -0.0006650400000000 ] - [ 0.0001734200000000, -0.0019806100000000, 0.0003873600000000 ] - [ -0.0009246800000000, -0.0018895500000000, 0.0005912600000000 ] - [ 0.0005303200000000, 0.0002774800000000, 0.0002593800000000 ] - [ -0.0055515400000000, -0.0126133500000000, -0.0037111900000000 ] - [ -0.0006176800000000, -0.0001621900000000, 0.0005589700000000 ] - [ 0.0048835400000000, 0.0021475400000000, -0.0036412900000000 ] - [ 0.0024275700000000, -0.0027180100000000, 0.0014826100000000 ] - [ 0.0000805700000000, -0.0002944100000000, -0.0005637800000000 ] - [ -0.0002021100000000, 0.0001938500000000, -0.0001432100000000 ] - [ -0.0036791200000000, 0.0067880000000000, 0.0017058900000000 ] - [ 0.0005039000000000, -0.0065310900000000, 0.0006593900000000 ] - [ -0.0000784700000000, -0.0003613500000000, 0.0000027900000000 ] - [ 0.0026322000000000, -0.0006930700000000, -0.0005169100000000 ] - [ -0.0007085100000000, -0.0015044900000000, -0.0003923400000000 ] - [ -0.0032386500000000, -0.0010387900000000, -0.0015695400000000 ] - [ 0.0000277500000000, 0.0021804100000000, 0.0002796800000000 ] - [ -0.0011300600000000, -0.0007191700000000, -0.0085265800000000 ] - [ 0.0005830200000000, -0.0004916900000000, 0.0007981300000000 ] - [ 0.0010366600000000, 0.0001980900000000, 0.0016441500000000 ] - [ -0.0018790800000000, -0.0009502500000000, -0.0018759400000000 ] - [ 0.0043039500000000, 0.0012497400000000, 0.0018592600000000 ] - [ -0.0006551700000000, 0.0018425700000000, -0.0013462700000000 ] - [ -0.0100860600000000, 0.0726913000000000, 0.0666424600000000 ] - [ 0.0000926000000000, 0.0000008400000000, -0.0002688600000000 ] - [ -0.0034002800000000, -0.0062554700000000, -0.0001431300000000 ] - [ 0.0004932400000000, 0.0000608000000000, 0.0002843300000000 ] - [ -0.0015595500000000, -0.0018418700000000, -0.0013460000000000 ] - [ 0.0001514600000000, -0.0003749300000000, -0.0003868900000000 ] - [ -0.0004844800000000, -0.0000649400000000, -0.0005033600000000 ] - [ -0.0019564400000000, 0.0045306100000000, 0.0024331900000000 ] - [ 0.0005609600000000, -0.0004765800000000, 0.0009013800000000 ] - [ 0.0000478100000000, -0.0033319300000000, 0.0005717000000000 ] - [ 0.0018298200000000, 0.0049947200000000, -0.0016764000000000 ] - [ -0.0007376400000000, 0.0006235400000000, 0.0004571600000000 ] - [ 0.0004791500000000, -0.0029155100000000, -0.0012313000000000 ] - [ -0.0001304400000000, 0.0002302100000000, -0.0007227900000000 ] - [ 0.0080342900000000, -0.0000240100000000, 0.0045393000000000 ] - [ -0.0007718400000000, -0.0002276400000000, -0.0002686900000000 ] - [ -0.0019161300000000, 0.0023570300000000, 0.0016482900000000 ] - [ 0.0029208100000000, 0.0050675400000000, 0.0008859500000000 ] - [ -0.0001838900000000, -0.0005502100000000, 0.0006194600000000 ] - [ 0.0014841700000000, -0.0080166900000000, 0.0020490400000000 ] - [ -0.1104609200000000, 0.2034194300000000, 0.0005526800000000 ] - [ -0.0006549500000000, 0.0007332100000000, -0.0000258200000000 ] - [ 0.0803915800000000, 0.1914237100000000, -0.1009296400000000 ] - [ -0.0002180000000000, 0.0000170500000000, -0.0007175200000000 ] - [ 0.0003369700000000, -0.0007957800000000, 0.0005015600000000 ] - [ 0.0013087300000000, -0.0141026800000000, 0.0011144900000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003767900000000, -0.0026836300000000, -0.0008733800000000 ] - [ 0.0005708100000000, -0.0013087800000000, 0.0005161000000000 ] - [ -0.0097192400000000, -0.0039988500000000, -0.0016921300000000 ] - [ 0.0017619600000000, 0.0001526200000000, -0.0006893200000000 ] - [ 0.0034442900000000, 0.0093088400000000, -0.0047195200000000 ] - [ -0.0009788000000000, 0.0010175600000000, -0.0002748200000000 ] - [ 0.0000812500000000, -0.0003437400000000, 0.0009414200000000 ] - [ -0.0095876600000000, -0.0095113600000000, -0.0146777000000000 ] - [ -0.0008184200000000, 0.0002735900000000, -0.0002447400000000 ] - [ 0.0128237400000000, -0.0006962900000000, 0.0241432600000000 ] - [ 0.0097157400000000, 0.0022078400000000, -0.0075505000000000 ] - [ -0.0001115800000000, 0.0005232900000000, -0.0004078400000000 ] - [ 0.0082603600000000, -0.0305954900000000, -0.0200950000000000 ] - [ -0.0001308300000000, -0.0007462000000000, -0.0001876200000000 ] - [ -0.0000328400000000, 0.0011444000000000, 0.0006366500000000 ] - [ -0.0209038800000000, -0.0046899900000000, 0.0093392600000000 ] - [ 0.0063750900000000, -0.0320415000000000, 0.0085218400000000 ] - [ -0.0001394000000000, -0.0001526300000000, -0.0002826700000000 ] - [ -0.0007785900000000, -0.0012843900000000, -0.0004928100000000 ] - [ 0.0007978500000000, -0.0034325400000000, -0.0013980500000000 ] - [ -0.0018841400000000, -0.0017770200000000, 0.0056485900000000 ] - [ 0.0000797600000000, 0.0001601600000000, -0.0005402000000000 ] - [ 0.0012663500000000, -0.0011219300000000, 0.0008013700000000 ] - [ -0.0011904900000000, -0.0011320200000000, -0.0011051100000000 ] - [ -0.0037421200000000, -0.0120364800000000, -0.0032762700000000 ] - [ 0.0004183400000000, -0.0011611600000000, -0.0004649000000000 ] - [ 0.0040028600000000, -0.0030763600000000, 0.0032207700000000 ] - [ -0.0025132400000000, -0.0020497200000000, 0.0000523800000000 ] - [ -0.0039102800000000, 0.5922489100000000, -0.0032162700000000 ] - [ -0.0000392700000000, 0.0008065200000000, 0.0006534700000000 ] - [ -0.0000653900000000, -0.0095107200000000, 0.0065895200000000 ] - [ -0.0000992600000000, -0.0006739000000000, 0.0006057300000000 ] - [ 0.0007768300000000, 0.0064716200000000, -0.0074503700000000 ] - [ 0.0011403500000000, 0.0011668600000000, 0.0003518100000000 ] - [ 0.0004030700000000, -0.0004841700000000, -0.0002247300000000 ] - [ -0.0023055700000000, -0.0193005900000000, -0.0006968300000000 ] - [ 0.0019705700000000, 0.0044119400000000, 0.0035713100000000 ] - [ -0.0003776400000000, 0.0115561200000000, -0.0038667900000000 ] - [ -0.0023961200000000, -0.0001164600000000, -0.0021655800000000 ] - [ -0.0017659600000000, 0.0121395900000000, -0.0034661600000000 ] - [ 0.0006154700000000, -0.0015750900000000, -0.0007413400000000 ] - [ 0.0013397300000000, -0.0119022300000000, -0.0006728900000000 ] - [ 0.0013520700000000, 0.0045257200000000, -0.0014287500000000 ] - [ -0.0004564200000000, -0.0001203400000000, -0.0001469100000000 ] - [ 0.0018142400000000, 0.0079106600000000, -0.0076241900000000 ] - [ 0.0001024800000000, 0.0002461800000000, -0.0003752500000000 ] - [ -0.0008799800000000, -0.0003069100000000, -0.0012219000000000 ] - [ 0.0067497000000000, -0.0022132700000000, 0.0067255900000000 ] - [ 0.0005064900000000, 0.0079995100000000, 0.0013617100000000 ] - [ -0.0010044000000000, 0.0001486000000000, 0.0004391500000000 ] - [ -0.0014366400000000, -0.0038921800000000, 0.0011239900000000 ] - [ 0.0002198700000000, -0.0010368800000000, -0.0002054400000000 ] - [ 0.0005710000000000, -0.0012405800000000, 0.0011318200000000 ] - [ -0.0014724700000000, -0.0004138900000000, -0.0013910600000000 ] - [ -0.0528839200000000, -0.0674783900000000, -0.0211035300000000 ] - [ -0.0000841300000000, -0.0002310000000000, -0.0004147300000000 ] - [ -0.0004832200000000, 0.0013396100000000, -0.0002981200000000 ] - [ 0.0006107900000000, 0.0012517400000000, -0.0005089700000000 ] - [ 0.0004728100000000, 0.0007263500000000, -0.0000655900000000 ] - [ 0.0064985600000000, 0.0135517600000000, 0.0038722800000000 ] - [ 0.0010650600000000, 0.0007429700000000, 0.0007078200000000 ] - [ -0.0044317600000000, -0.0015814300000000, 0.0049061500000000 ] - [ -0.0021868700000000, 0.0025559800000000, -0.0025752200000000 ] - [ 0.0001696500000000, 0.0001279100000000, -0.0005154600000000 ] - [ 0.0012000300000000, -0.0011948600000000, 0.0003366000000000 ] - [ 0.0047004000000000, -0.0078105900000000, -0.0015256200000000 ] - [ -0.0001660600000000, 0.0071766200000000, -0.0007448200000000 ] - [ 0.0003929700000000, 0.0010043700000000, -0.0000877600000000 ] - [ -0.0006804800000000, 0.0012421400000000, -0.0003132100000000 ] - [ 0.0026536900000000, 0.0020517300000000, -0.0004447600000000 ] - [ 0.0029601300000000, 0.0008563700000000, 0.0026299300000000 ] - [ -0.0002652500000000, -0.0023502700000000, 0.0008038900000000 ] - [ 0.0018284000000000, -0.0001042600000000, 0.0091700000000000 ] - [ 0.0001190600000000, -0.0003085900000000, -0.0001912500000000 ] - [ -0.0017292300000000, -0.0009881100000000, -0.0022362100000000 ] - [ 0.0011779000000000, 0.0001607800000000, 0.0012660900000000 ] - [ -0.0034235800000000, -0.0007684100000000, -0.0009395300000000 ] - [ 0.0015604100000000, -0.0013717700000000, 0.0022778900000000 ] - [ 0.0100787300000000, -0.0735972100000000, -0.0664474600000000 ] - [ 0.0001185700000000, -0.0003989200000000, -0.0004023500000000 ] - [ 0.0041423000000000, 0.0070960400000000, 0.0007471300000000 ] - [ 0.0002098200000000, 0.0007333900000000, 0.0003218900000000 ] - [ 0.0006907000000000, 0.0022973600000000, 0.0004460500000000 ] - [ -0.0010468100000000, 0.0008359200000000, -0.0005342500000000 ] - [ 0.0002716900000000, 0.0004586700000000, 0.0011683500000000 ] - [ 0.0017476100000000, -0.0041579700000000, -0.0017537800000000 ] - [ -0.0008016400000000, 0.0006432200000000, 0.0001784000000000 ] - [ -0.0003221900000000, 0.0034981700000000, 0.0004986400000000 ] - [ -0.0037886000000000, -0.0044907800000000, 0.0025192400000000 ] - [ -0.0012089400000000, -0.0000815500000000, 0.0003786500000000 ] - [ -0.0009201000000000, 0.0035340000000000, -0.0000384300000000 ] - [ -0.0003200800000000, 0.0003647800000000, -0.0005375500000000 ] - [ -0.0071088300000000, -0.0004202200000000, -0.0035933500000000 ] - [ 0.0016670300000000, -0.0002356400000000, 0.0011894300000000 ] - [ 0.0015813400000000, -0.0017148500000000, -0.0015517400000000 ] - [ -0.0032143100000000, -0.0044250100000000, -0.0007983000000000 ] - [ -0.0000228900000000, 0.0001486100000000, 0.0000559000000000 ] - [ -0.0017098600000000, 0.0075934800000000, -0.0013648900000000 ] - [ 0.1185407400000000, -0.2127500800000000, -0.0000711500000000 ] - [ -0.0003449000000000, 0.0002667300000000, -0.0001675800000000 ] - [ -0.0751016700000000, -0.1846769000000000, 0.0928859200000000 ] - [ -0.0002287600000000, -0.0006029900000000, -0.0005488900000000 ] - [ 0.0001137800000000, 0.0002045400000000, 0.0007630800000000 ] - [ -0.0008945700000000, 0.0134833400000000, 0.0001425000000000 ]- atom: 29 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ -0.0004031900000000, 0.0001186000000000, 0.0012416900000000 ] - [ 0.0007502000000000, -0.0002006900000000, -0.0006555500000000 ] - [ 0.0015412600000000, 0.0015398300000000, -0.0031350700000000 ] - [ 0.0001792100000000, 0.0000523200000000, 0.0005544200000000 ] - [ 0.0087145800000000, 0.0020422000000000, 0.0065570400000000 ] - [ 0.0003279200000000, -0.0006629400000000, 0.0010671800000000 ] - [ -0.0000768600000000, -0.0001790500000000, 0.0015040600000000 ] - [ 0.0229206000000000, 0.0265668800000000, 0.0108468100000000 ] - [ -0.0003750800000000, -0.0002944400000000, 0.0004253300000000 ] - [ 0.0037293400000000, -0.0072162500000000, -0.0068654300000000 ] - [ -0.0204822500000000, 0.0009204900000000, 0.0282576200000000 ] - [ 0.0004959000000000, 0.0001193900000000, 0.0000651400000000 ] - [ -0.0041962900000000, 0.0088282100000000, 0.0036700200000000 ] - [ 0.0004668800000000, -0.0006220700000000, -0.0004513400000000 ] - [ 0.0002531400000000, 0.0008720500000000, -0.0004427900000000 ] - [ -0.0172053200000000, -0.0054590400000000, 0.0112088100000000 ] - [ 0.0061094500000000, -0.0213575500000000, 0.0012432000000000 ] - [ 0.0007608000000000, 0.0002788000000000, 0.0002033500000000 ] - [ 0.0002708800000000, -0.0003822100000000, -0.0001454300000000 ] - [ -0.0009792400000000, -0.0002694700000000, 0.0011616100000000 ] - [ 0.0011153300000000, -0.0041322300000000, -0.0006147800000000 ] - [ 0.0003648100000000, 0.0004755600000000, -0.0002376300000000 ] - [ -0.0022760100000000, 0.0035067700000000, -0.0008489500000000 ] - [ -0.0011306100000000, -0.0002221500000000, -0.0009177100000000 ] - [ 0.0024875900000000, -0.0004373100000000, -0.0055546600000000 ] - [ 0.0000381200000000, -0.0001885100000000, -0.0002992800000000 ] - [ 0.0046885600000000, -0.0028510200000000, 0.0033725400000000 ] - [ -0.0008007500000000, 0.0035059400000000, 0.0053034500000000 ] - [ 0.2156663000000000, -0.0000909400000000, -0.5324315700000000 ] - [ 0.0000250900000000, 0.0002248700000000, 0.0009829100000000 ] - [ -0.0069063200000000, 0.0052454600000000, 0.0141447800000000 ] - [ 0.0006131000000000, -0.0002436300000000, 0.0005702900000000 ] - [ -0.0076624900000000, 0.0032917500000000, 0.0088062900000000 ] - [ 0.0008860200000000, -0.0003830600000000, -0.0006451500000000 ] - [ -0.0004163900000000, 0.0004758200000000, -0.0008480200000000 ] - [ -0.0008689700000000, 0.0011225600000000, 0.0005048100000000 ] - [ -0.0063036300000000, -0.0043410600000000, -0.0034500000000000 ] - [ 0.0032673900000000, 0.0043346600000000, -0.0109389500000000 ] - [ 0.0019213100000000, 0.0002104200000000, 0.0001721700000000 ] - [ -0.0035174100000000, 0.0016434700000000, 0.0075254000000000 ] - [ 0.0028992900000000, 0.0007189600000000, -0.0007245900000000 ] - [ -0.0108496600000000, 0.0039550400000000, 0.0050373700000000 ] - [ 0.0003294600000000, -0.0012877900000000, -0.0026654600000000 ] - [ -0.0008088100000000, -0.0005086400000000, -0.0002759500000000 ] - [ 0.0047615900000000, 0.0041941800000000, -0.0120389000000000 ] - [ -0.0002649200000000, 0.0001511400000000, -0.0001663800000000 ] - [ 0.0009098200000000, 0.0002732500000000, 0.0020554900000000 ] - [ 0.0045402600000000, -0.0008334900000000, 0.0055614700000000 ] - [ -0.0028887900000000, -0.0004601800000000, 0.0019462300000000 ] - [ -0.0009964200000000, -0.0003351000000000, 0.0002688900000000 ] - [ 0.0013868600000000, -0.0035322700000000, -0.0055001500000000 ] - [ -0.0004050000000000, -0.0000007100000000, 0.0000305400000000 ] - [ 0.0005072900000000, -0.0006868600000000, -0.0017408600000000 ] - [ -0.0011176300000000, 0.0002925000000000, -0.0005260100000000 ] - [ -0.0025116500000000, 0.0005590100000000, 0.0568668000000000 ] - [ -0.0000354600000000, 0.0001188400000000, -0.0008587100000000 ] - [ -0.0005687700000000, 0.0010279700000000, -0.0008806700000000 ] - [ -0.0001342900000000, -0.0012249000000000, -0.0004391500000000 ] - [ 0.0005644000000000, 0.0004833200000000, -0.0000819900000000 ] - [ 0.0003264500000000, -0.0012631400000000, 0.0098535800000000 ] - [ -0.0002140000000000, 0.0001427800000000, 0.0006759100000000 ] - [ 0.0019203100000000, 0.0004959800000000, -0.0015253100000000 ] - [ 0.0024609500000000, -0.0018682000000000, -0.0026395200000000 ] - [ -0.0001603000000000, -0.0000220900000000, -0.0004573200000000 ] - [ -0.0000082100000000, -0.0003431600000000, 0.0000911200000000 ] - [ 0.0033782000000000, -0.0025177900000000, -0.0073720300000000 ] - [ -0.0012781400000000, -0.0005504400000000, 0.0026060100000000 ] - [ 0.0004092900000000, 0.0004709600000000, -0.0002554900000000 ] - [ -0.0010957800000000, 0.0008192500000000, -0.0000490700000000 ] - [ 0.0027589000000000, 0.0001973300000000, -0.0021345700000000 ] - [ -0.0008165500000000, -0.0003021900000000, -0.0003448600000000 ] - [ -0.0001233700000000, -0.0003213600000000, -0.0008405700000000 ] - [ 0.0013363900000000, -0.0004913100000000, -0.0039412500000000 ] - [ 0.0001113200000000, -0.0002770200000000, 0.0001311800000000 ] - [ -0.0018522300000000, -0.0005919300000000, -0.0028378000000000 ] - [ -0.0022341500000000, -0.0032537800000000, -0.0041146500000000 ] - [ 0.0090133700000000, -0.0002115600000000, 0.0022075500000000 ] - [ -0.0004159200000000, -0.0010961200000000, 0.0025062300000000 ] - [ -0.0727129700000000, 0.0645903200000000, 0.2557115700000000 ] - [ 0.0001734500000000, -0.0003011200000000, -0.0006048600000000 ] - [ 0.0004467600000000, 0.0016277500000000, 0.0035907800000000 ] - [ 0.0003253600000000, 0.0004524900000000, 0.0001777800000000 ] - [ -0.0006421400000000, -0.0002714800000000, 0.0006629400000000 ] - [ -0.0004152000000000, 0.0003999500000000, -0.0006494500000000 ] - [ -0.0003134700000000, 0.0000100400000000, -0.0002414700000000 ] - [ -0.0006270600000000, 0.0024801200000000, -0.0052446800000000 ] - [ 0.0003973700000000, -0.0003692600000000, 0.0005377500000000 ] - [ 0.0009161800000000, 0.0000396100000000, 0.0011326900000000 ] - [ 0.0063378600000000, 0.0045363500000000, -0.0057151300000000 ] - [ -0.0014064600000000, 0.0002796500000000, 0.0005841300000000 ] - [ 0.0062645300000000, -0.0101425300000000, -0.0118796800000000 ] - [ -0.0005687200000000, 0.0003369600000000, -0.0006309500000000 ] - [ -0.0070820400000000, 0.0020585000000000, -0.0039564200000000 ] - [ -0.0004724600000000, -0.0007128200000000, -0.0011519600000000 ] - [ -0.0011787400000000, 0.0018417700000000, 0.0019664700000000 ] - [ -0.0008318700000000, 0.0011944400000000, 0.0025235200000000 ] - [ -0.0002392000000000, -0.0002222700000000, 0.0005825200000000 ] - [ 0.0000332300000000, -0.0009220500000000, 0.0011590500000000 ] - [ -0.0448144900000000, 0.0419922000000000, 0.0519801000000000 ] - [ -0.0005182900000000, 0.0006171700000000, -0.0000901300000000 ] - [ -0.0960044100000000, -0.1135055300000000, 0.1288850200000000 ] - [ -0.0002072400000000, -0.0002191500000000, -0.0007264100000000 ] - [ 0.0003462400000000, -0.0003583100000000, 0.0005247100000000 ] - [ -0.0000332700000000, -0.0031957200000000, 0.0025383800000000 ]- atom: 29 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0012879800000000, -0.0003127500000000, -0.0012891100000000 ] - [ 0.0001384400000000, 0.0000210200000000, 0.0006036600000000 ] - [ -0.0006185800000000, -0.0013640000000000, 0.0030641800000000 ] - [ 0.0007115700000000, 0.0001267000000000, -0.0005920300000000 ] - [ -0.0096999100000000, -0.0021840800000000, -0.0064837200000000 ] - [ -0.0012123300000000, 0.0004893200000000, -0.0010233000000000 ] - [ -0.0002372200000000, -0.0009038100000000, -0.0006118500000000 ] - [ -0.0231515500000000, -0.0275254300000000, -0.0098679800000000 ] - [ -0.0002065200000000, 0.0003657500000000, -0.0003333500000000 ] - [ -0.0042851600000000, 0.0072851100000000, 0.0069032300000000 ] - [ 0.0209985500000000, -0.0009061900000000, -0.0281941400000000 ] - [ 0.0000743900000000, -0.0001913300000000, -0.0001608300000000 ] - [ 0.0044669800000000, -0.0099983600000000, -0.0045224300000000 ] - [ -0.0001549700000000, -0.0004649400000000, -0.0004421400000000 ] - [ -0.0005631400000000, 0.0002149500000000, 0.0013309200000000 ] - [ 0.0169690100000000, 0.0066473000000000, -0.0103091900000000 ] - [ -0.0055311600000000, 0.0214741800000000, -0.0012967700000000 ] - [ -0.0001916300000000, -0.0002091500000000, -0.0003010000000000 ] - [ -0.0008344100000000, 0.0003130100000000, 0.0002448000000000 ] - [ 0.0004087900000000, 0.0001884300000000, -0.0010558000000000 ] - [ -0.0007874900000000, 0.0051793800000000, -0.0002938900000000 ] - [ -0.0000540100000000, 0.0006086300000000, -0.0006525000000000 ] - [ 0.0013933100000000, -0.0033137000000000, 0.0008853100000000 ] - [ 0.0002352200000000, 0.0004026700000000, 0.0009639800000000 ] - [ -0.0023229000000000, 0.0004002600000000, 0.0042665500000000 ] - [ 0.0001151900000000, 0.0001521900000000, -0.0009644200000000 ] - [ -0.0048355000000000, 0.0028863800000000, -0.0020960600000000 ] - [ 0.0006493200000000, -0.0034754900000000, -0.0040410500000000 ] - [ -0.2166326000000000, -0.0147747200000000, 0.5182802100000000 ] - [ -0.0000283900000000, 0.0003307100000000, 0.0002412300000000 ] - [ 0.0069026700000000, -0.0057896000000000, -0.0129182000000000 ] - [ -0.0006186700000000, -0.0003116100000000, 0.0006508300000000 ] - [ 0.0077825500000000, -0.0033412600000000, -0.0100941300000000 ] - [ -0.0007338300000000, 0.0004184000000000, -0.0006241500000000 ] - [ 0.0004215100000000, 0.0000790500000000, -0.0003826500000000 ] - [ 0.0008609100000000, -0.0005641300000000, -0.0017233600000000 ] - [ 0.0061263900000000, 0.0042914000000000, 0.0046767800000000 ] - [ -0.0034287000000000, -0.0043766400000000, 0.0121978500000000 ] - [ -0.0019140800000000, -0.0007632000000000, -0.0013909400000000 ] - [ 0.0035617300000000, -0.0022242200000000, -0.0087265900000000 ] - [ -0.0009278300000000, -0.0012687300000000, -0.0001182100000000 ] - [ 0.0127766900000000, -0.0044948000000000, -0.0058586800000000 ] - [ -0.0013370000000000, 0.0003090100000000, 0.0024620400000000 ] - [ -0.0001956900000000, -0.0004830400000000, 0.0000728300000000 ] - [ -0.0045363500000000, -0.0037939600000000, 0.0113361100000000 ] - [ 0.0004781400000000, 0.0002522500000000, -0.0005058400000000 ] - [ -0.0016121200000000, 0.0005289400000000, -0.0026414000000000 ] - [ -0.0052367500000000, 0.0016407800000000, -0.0061700400000000 ] - [ 0.0009126600000000, -0.0000917400000000, -0.0011014800000000 ] - [ -0.0009736000000000, -0.0002153600000000, 0.0005823100000000 ] - [ -0.0010626300000000, 0.0029209700000000, 0.0054515300000000 ] - [ 0.0006929400000000, -0.0006434400000000, -0.0001112200000000 ] - [ -0.0013880200000000, 0.0002197900000000, 0.0008305300000000 ] - [ 0.0002186800000000, -0.0007785200000000, -0.0003930700000000 ] - [ 0.0040583400000000, 0.0000849200000000, -0.0569330900000000 ] - [ 0.0002690500000000, 0.0000386900000000, -0.0002349100000000 ] - [ 0.0002787100000000, -0.0016636300000000, 0.0009567800000000 ] - [ -0.0001585500000000, 0.0005871700000000, 0.0005263100000000 ] - [ 0.0004375500000000, 0.0005039800000000, 0.0002846700000000 ] - [ 0.0006802300000000, 0.0022738600000000, -0.0096372300000000 ] - [ 0.0006634400000000, 0.0004472000000000, 0.0005816100000000 ] - [ -0.0014784200000000, 0.0001110400000000, 0.0027783000000000 ] - [ -0.0022329000000000, 0.0017173700000000, 0.0015484300000000 ] - [ 0.0004071700000000, -0.0001388500000000, -0.0006267800000000 ] - [ 0.0010074700000000, -0.0006467600000000, 0.0001087800000000 ] - [ -0.0024127500000000, 0.0015354100000000, 0.0075940600000000 ] - [ 0.0015555500000000, 0.0012011900000000, -0.0026798700000000 ] - [ -0.0001167900000000, 0.0001726700000000, 0.0001719900000000 ] - [ 0.0030565800000000, -0.0002687000000000, -0.0008004800000000 ] - [ -0.0007896000000000, 0.0003473300000000, 0.0012810300000000 ] - [ 0.0005667800000000, 0.0001448900000000, 0.0014060700000000 ] - [ -0.0001282300000000, 0.0001629500000000, 0.0019201600000000 ] - [ -0.0006224000000000, -0.0002914600000000, 0.0045236500000000 ] - [ 0.0005937100000000, -0.0005307000000000, 0.0004694200000000 ] - [ 0.0011455700000000, -0.0002223400000000, 0.0022249800000000 ] - [ 0.0015444400000000, 0.0024515000000000, 0.0035401500000000 ] - [ -0.0080918500000000, 0.0006952700000000, -0.0012727000000000 ] - [ 0.0013136800000000, 0.0015858700000000, -0.0015862000000000 ] - [ 0.0697662500000000, -0.0584238900000000, -0.2394832000000000 ] - [ 0.0000410800000000, -0.0001005200000000, -0.0000633400000000 ] - [ 0.0002538800000000, -0.0008183700000000, -0.0029549900000000 ] - [ 0.0003805100000000, 0.0003509700000000, 0.0004187800000000 ] - [ -0.0002662400000000, 0.0007484300000000, -0.0015831100000000 ] - [ -0.0004831300000000, 0.0000919000000000, -0.0002733200000000 ] - [ 0.0001026400000000, 0.0003898600000000, 0.0009019300000000 ] - [ 0.0003914100000000, -0.0020622800000000, 0.0059247500000000 ] - [ -0.0006358900000000, 0.0005295000000000, 0.0005534200000000 ] - [ -0.0011370000000000, 0.0001211500000000, -0.0000392500000000 ] - [ -0.0082875100000000, -0.0039680500000000, 0.0065505900000000 ] - [ -0.0005660900000000, 0.0002729100000000, 0.0002694700000000 ] - [ -0.0067392900000000, 0.0107512900000000, 0.0106382000000000 ] - [ 0.0001154100000000, 0.0002552100000000, -0.0006261200000000 ] - [ 0.0079748300000000, -0.0025401500000000, 0.0048583700000000 ] - [ 0.0013715400000000, 0.0002217500000000, 0.0020758900000000 ] - [ 0.0008769300000000, -0.0011891100000000, -0.0018662300000000 ] - [ 0.0005526000000000, -0.0005569200000000, -0.0024479900000000 ] - [ 0.0000230800000000, -0.0001839400000000, 0.0000976400000000 ] - [ -0.0002359300000000, 0.0005216400000000, -0.0005032100000000 ] - [ 0.0432097800000000, -0.0402516400000000, -0.0516141700000000 ] - [ -0.0004841200000000, 0.0003736600000000, -0.0001088300000000 ] - [ 0.0990108500000000, 0.1201814700000000, -0.1335674100000000 ] - [ -0.0002408000000000, -0.0003671600000000, -0.0005357200000000 ] - [ 0.0001048700000000, -0.0002252700000000, 0.0007388900000000 ] - [ 0.0004826600000000, 0.0025963300000000, -0.0012595400000000 ]- atom: 41 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0025152200000000, 0.0001435100000000, -0.0000113800000000 ] - [ -0.0007381200000000, -0.0004024200000000, -0.0006168300000000 ] - [ -0.0049668300000000, 0.0033380900000000, 0.0062022700000000 ] - [ -0.0019490200000000, -0.0006099500000000, -0.0007418900000000 ] - [ 0.0021275600000000, -0.0015821800000000, 0.0018893700000000 ] - [ -0.0022470500000000, 0.0004634100000000, -0.0016814000000000 ] - [ 0.0049798400000000, -0.0015289500000000, 0.0041553000000000 ] - [ -0.0026019600000000, -0.0007544700000000, -0.0001789300000000 ] - [ 0.0105381000000000, 0.0050954400000000, -0.0018282400000000 ] - [ -0.0021884500000000, 0.0000423200000000, -0.0006798800000000 ] - [ -0.0065551200000000, 0.0025074900000000, -0.0055245400000000 ] - [ -0.0032234600000000, 0.0001011300000000, 0.0035777300000000 ] - [ -0.0010319200000000, -0.0003296800000000, -0.0007374200000000 ] - [ 0.0018212000000000, -0.0032183700000000, -0.0022199100000000 ] - [ 0.0055352800000000, 0.0006126200000000, 0.0056149400000000 ] - [ -0.0017917500000000, 0.0004413400000000, -0.0005112900000000 ] - [ 0.0002178600000000, 0.0001731900000000, 0.0003260100000000 ] - [ -0.0002637600000000, 0.0012200900000000, -0.0013619300000000 ] - [ 0.0021912500000000, -0.0002136100000000, 0.0015722700000000 ] - [ -0.0019904900000000, -0.0000614700000000, -0.0008611700000000 ] - [ -0.0015932800000000, 0.0007681800000000, -0.0009559300000000 ] - [ -0.0004128100000000, -0.0009144600000000, -0.0004155500000000 ] - [ 0.0011492900000000, -0.0094745100000000, 0.0003952800000000 ] - [ -0.0019830100000000, 0.0004742000000000, -0.0003039700000000 ] - [ -0.0009827900000000, -0.0006146600000000, 0.0008156500000000 ] - [ -0.0016365700000000, -0.0001019300000000, -0.0016555100000000 ] - [ 0.0014355400000000, 0.0039423800000000, 0.0062619800000000 ] - [ -0.0026614200000000, 0.0000660700000000, -0.0005679100000000 ] - [ -0.0034547500000000, 0.0006405700000000, 0.0012236700000000 ] - [ -0.0031956100000000, -0.0000668500000000, -0.0135880300000000 ] - [ -0.0008726800000000, -0.0019458900000000, -0.0020345900000000 ] - [ -0.0012622100000000, 0.0014000900000000, 0.0019965700000000 ] - [ 0.0020130100000000, 0.0036537200000000, -0.0018098000000000 ] - [ -0.0021227600000000, -0.0002945700000000, -0.0012223500000000 ] - [ 0.0081144400000000, 0.0017599800000000, 0.0007822200000000 ] - [ -0.0023795500000000, 0.0002475100000000, -0.0016312500000000 ] - [ 0.2250376800000000, 0.0136974100000000, -0.1177080500000000 ] - [ -0.0032771100000000, -0.0000547900000000, -0.0003387800000000 ] - [ 0.0030888700000000, 0.0025374000000000, 0.0086876100000000 ] - [ -0.0030415800000000, -0.0000435900000000, -0.0023610900000000 ] - [ -0.3090263600000000, -0.0149144800000000, 0.1620173800000000 ] - [ 0.0028222300000000, -0.0002977100000000, -0.0004702300000000 ] - [ 0.0004652100000000, 0.0002567700000000, 0.0007145200000000 ] - [ -0.0007190600000000, -0.0006934700000000, -0.0008272700000000 ] - [ 0.0003604800000000, 0.0001033700000000, 0.0007709500000000 ] - [ -0.0002393900000000, 0.0000240500000000, -0.0009898700000000 ] - [ -0.0015711500000000, 0.0061840800000000, -0.0157514600000000 ] - [ 0.0007746200000000, 0.0001514800000000, 0.0007736900000000 ] - [ 0.0001344500000000, -0.0003198100000000, -0.0002680100000000 ] - [ -0.0003654300000000, 0.0000374500000000, 0.0006356100000000 ] - [ -0.0004350500000000, -0.0015498800000000, 0.0017583000000000 ] - [ 0.0007797900000000, -0.0003281400000000, 0.0003183700000000 ] - [ -0.0036878100000000, -0.0014515100000000, -0.0005787600000000 ] - [ 0.0011145500000000, 0.0000942200000000, 0.0003384500000000 ] - [ 0.0023791200000000, 0.0004913900000000, -0.0014293900000000 ] - [ 0.0035927200000000, 0.0007422400000000, 0.0034157800000000 ] - [ -0.0010456700000000, -0.0016965100000000, -0.0008955900000000 ] - [ 0.0006995400000000, -0.0002162400000000, 0.0002535000000000 ] - [ -0.0016495900000000, -0.0046948900000000, 0.0013492800000000 ] - [ 0.0016094800000000, 0.0010245200000000, 0.0004670500000000 ] - [ -0.0007613600000000, 0.0004487700000000, -0.0019286700000000 ] - [ 0.0012517200000000, 0.0003521700000000, 0.0009821500000000 ] - [ 0.0002503400000000, 0.0013312500000000, 0.0009225000000000 ] - [ 0.0011244400000000, -0.0005451500000000, -0.0004290500000000 ] - [ -0.0003694700000000, -0.0011220200000000, -0.0026327200000000 ] - [ 0.0019040100000000, -0.0010944000000000, 0.0011034900000000 ] - [ 0.0011983500000000, 0.0020252400000000, -0.0012709900000000 ] - [ 0.0009225500000000, 0.0002743800000000, 0.0001184600000000 ] - [ 0.0015289100000000, 0.0003886300000000, -0.0033491300000000 ] - [ 0.0023415600000000, 0.0002841800000000, -0.0002577700000000 ] - [ -0.0028806700000000, -0.0003553000000000, -0.0045771600000000 ] - [ 0.0022468700000000, 0.0002407100000000, 0.0018918600000000 ] - [ 0.0001077400000000, -0.0011544600000000, 0.0004979000000000 ] - [ 0.0008845100000000, -0.0000835900000000, 0.0012290400000000 ] - [ -0.0036784000000000, -0.0073677200000000, -0.0128981100000000 ] - [ 0.0007941900000000, -0.0002325000000000, 0.0008046700000000 ] - [ 0.0320691400000000, 0.0130692600000000, -0.0046673300000000 ] - [ 0.0028960800000000, 0.0002021200000000, 0.0013460400000000 ] - [ 0.0026347500000000, -0.0004033300000000, -0.0010586500000000 ] - [ 0.0191277500000000, 0.0034277400000000, 0.0071894800000000 ] - [ 0.0011438500000000, -0.0002327900000000, 0.0001944100000000 ] - [ 0.0009522200000000, 0.0010093700000000, 0.0007463700000000 ] - [ -0.0007318200000000, -0.0011353100000000, -0.0018791600000000 ] - [ 0.0009309600000000, 0.0001751000000000, 0.0003632200000000 ] - [ 0.0038208500000000, 0.0020182700000000, -0.0077426200000000 ] - [ 0.0009733500000000, 0.0004130200000000, 0.0010335100000000 ] - [ -0.0046453300000000, 0.0015666800000000, -0.0005498000000000 ] - [ 0.0015457000000000, -0.0001879200000000, 0.0013364900000000 ] - [ -0.0008794300000000, -0.0016539700000000, 0.0019045400000000 ] - [ 0.0003549000000000, 0.0007172400000000, -0.0002131000000000 ] - [ 0.0013792900000000, 0.0021296100000000, 0.0009980700000000 ] - [ 0.0009797700000000, -0.0012032200000000, -0.0021627100000000 ] - [ -0.0023400700000000, -0.0002240200000000, -0.0025764800000000 ] - [ 0.0021482800000000, -0.0008466300000000, 0.0016400600000000 ] - [ 0.0206408400000000, -0.0188081200000000, -0.0248916000000000 ] - [ 0.0010582100000000, 0.0001291100000000, 0.0000611600000000 ] - [ -0.0022521700000000, -0.0000599600000000, 0.0004468600000000 ] - [ 0.0007212500000000, -0.0003723400000000, 0.0006996600000000 ] - [ 0.0008247200000000, -0.0002497200000000, 0.0001634000000000 ] - [ 0.0032287400000000, 0.0060760300000000, 0.0100860800000000 ] - [ 0.0008444800000000, 0.0005071600000000, -0.0010978300000000 ] - [ -0.0015735100000000, -0.0030067900000000, 0.0037658700000000 ] - [ -0.0023199800000000, -0.0000792200000000, 0.0003275400000000 ] - [ 0.0012681300000000, -0.0004282800000000, 0.0007745800000000 ]- atom: 41 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ -0.0016153300000000, -0.0003506300000000, -0.0000336500000000 ] - [ 0.0016238300000000, 0.0002210200000000, 0.0005666300000000 ] - [ 0.0058429400000000, -0.0031598900000000, -0.0062521800000000 ] - [ 0.0028349700000000, 0.0007945700000000, 0.0006928000000000 ] - [ -0.0030130400000000, 0.0013967900000000, -0.0018219400000000 ] - [ 0.0013543300000000, -0.0006455300000000, 0.0017273700000000 ] - [ -0.0058489600000000, 0.0011063900000000, -0.0030668000000000 ] - [ 0.0022809100000000, -0.0003341600000000, 0.0010706700000000 ] - [ -0.0110405900000000, -0.0050608400000000, 0.0019465300000000 ] - [ 0.0016149900000000, 0.0000317800000000, 0.0007725100000000 ] - [ 0.0070737600000000, -0.0025403900000000, 0.0053769300000000 ] - [ 0.0037970600000000, -0.0001775500000000, -0.0036869900000000 ] - [ 0.0013442800000000, -0.0007601900000000, -0.0001481000000000 ] - [ -0.0015136200000000, 0.0021271300000000, 0.0013188000000000 ] - [ -0.0058462300000000, 0.0004727200000000, -0.0047303200000000 ] - [ 0.0014791200000000, 0.0006476900000000, 0.0014021500000000 ] - [ 0.0003561600000000, -0.0001032000000000, -0.0004161300000000 ] - [ 0.0008260100000000, -0.0011529000000000, 0.0012604700000000 ] - [ -0.0027566100000000, 0.0001492200000000, -0.0014750200000000 ] - [ 0.0014172000000000, -0.0000107300000000, 0.0009531500000000 ] - [ 0.0019026800000000, 0.0003164000000000, 0.0000629900000000 ] - [ 0.0007147700000000, 0.0020029100000000, -0.0004766500000000 ] - [ -0.0020040300000000, 0.0095811400000000, -0.0003168200000000 ] - [ 0.0010893900000000, -0.0002962700000000, 0.0003505200000000 ] - [ 0.0011287000000000, 0.0005691400000000, -0.0020696700000000 ] - [ 0.0017751600000000, 0.0000679800000000, 0.0003918100000000 ] - [ -0.0015570900000000, -0.0038797700000000, -0.0049692500000000 ] - [ 0.0025052400000000, -0.0000348300000000, 0.0018274800000000 ] - [ 0.0034430200000000, -0.0000761600000000, 0.0000185100000000 ] - [ 0.0031653300000000, 0.0006701300000000, 0.0148578500000000 ] - [ 0.0008718000000000, 0.0013750600000000, 0.0032407000000000 ] - [ 0.0012492100000000, -0.0019523500000000, -0.0007774200000000 ] - [ -0.0017932100000000, -0.0035751600000000, 0.0005687100000000 ] - [ 0.0022686300000000, 0.0003318200000000, -0.0000446300000000 ] - [ -0.0080799300000000, -0.0011909200000000, -0.0020058300000000 ] - [ 0.0023785300000000, 0.0003043800000000, 0.0004083200000000 ] - [ -0.2140752800000000, -0.0122912100000000, 0.1102794500000000 ] - [ 0.0031273800000000, 0.0000242400000000, 0.0016034800000000 ] - [ -0.0030840200000000, -0.0030812200000000, -0.0098937000000000 ] - [ 0.0030410000000000, -0.0005068300000000, 0.0011316300000000 ] - [ 0.2999047000000000, 0.0124016600000000, -0.1535849000000000 ] - [ -0.0008691400000000, -0.0002500100000000, -0.0003649600000000 ] - [ -0.0014678900000000, -0.0012558600000000, -0.0009066200000000 ] - [ -0.0002805400000000, -0.0003085700000000, 0.0006322800000000 ] - [ -0.0001516500000000, 0.0002986200000000, -0.0014399200000000 ] - [ 0.0004507700000000, 0.0003762600000000, 0.0003161000000000 ] - [ 0.0007208300000000, -0.0054186100000000, 0.0150188700000000 ] - [ -0.0014733500000000, 0.0006448700000000, -0.0013741700000000 ] - [ -0.0020793600000000, -0.0002234100000000, 0.0010985200000000 ] - [ -0.0015779300000000, -0.0005856100000000, 0.0002005500000000 ] - [ 0.0007288700000000, 0.0008926600000000, -0.0018399000000000 ] - [ -0.0004666500000000, -0.0003175200000000, -0.0004039500000000 ] - [ 0.0026936200000000, 0.0010292300000000, -0.0004009800000000 ] - [ -0.0020055400000000, -0.0005610600000000, -0.0012567800000000 ] - [ -0.0021322200000000, -0.0003283300000000, 0.0003454100000000 ] - [ -0.0033364400000000, -0.0005880100000000, -0.0045046600000000 ] - [ 0.0007300600000000, 0.0010526800000000, 0.0009782400000000 ] - [ -0.0010098700000000, -0.0004244900000000, -0.0001668500000000 ] - [ 0.0026463300000000, 0.0056768700000000, -0.0011405000000000 ] - [ -0.0006040800000000, -0.0000180600000000, -0.0002740600000000 ] - [ 0.0012112000000000, 0.0001402100000000, 0.0031874700000000 ] - [ -0.0008005000000000, 0.0002377000000000, 0.0002812100000000 ] - [ -0.0000079200000000, -0.0014782600000000, -0.0019911800000000 ] - [ -0.0008678100000000, 0.0003771700000000, -0.0006469100000000 ] - [ 0.0013715900000000, 0.0001173400000000, 0.0028254400000000 ] - [ -0.0008990500000000, 0.0000860000000000, -0.0009073200000000 ] - [ -0.0008818200000000, -0.0013628600000000, 0.0011727700000000 ] - [ -0.0006061700000000, 0.0003709400000000, -0.0002042800000000 ] - [ 0.0004219900000000, 0.0001508300000000, 0.0025102000000000 ] - [ -0.0003875300000000, 0.0002638000000000, -0.0005784600000000 ] - [ 0.0026341700000000, 0.0001928400000000, 0.0056465100000000 ] - [ -0.0024883500000000, -0.0004068500000000, -0.0008075300000000 ] - [ 0.0005737700000000, 0.0003600600000000, 0.0000770400000000 ] - [ -0.0001820800000000, -0.0007147500000000, -0.0006234900000000 ] - [ 0.0030189700000000, 0.0065562700000000, 0.0122666000000000 ] - [ -0.0014909700000000, -0.0005626100000000, -0.0014021800000000 ] - [ -0.0303176900000000, -0.0122642700000000, 0.0054894500000000 ] - [ -0.0020053300000000, 0.0002664000000000, -0.0004256600000000 ] - [ -0.0024074700000000, -0.0000040900000000, 0.0003720500000000 ] - [ -0.0192780900000000, -0.0038537100000000, -0.0079422700000000 ] - [ -0.0004442900000000, 0.0010294800000000, 0.0004047300000000 ] - [ -0.0002470100000000, -0.0002145700000000, -0.0001422700000000 ] - [ -0.0001642500000000, 0.0015967000000000, 0.0009530000000000 ] - [ -0.0018204500000000, 0.0002911000000000, -0.0012806700000000 ] - [ -0.0040378600000000, -0.0016450700000000, 0.0084234400000000 ] - [ -0.0011840400000000, -0.0000117900000000, -0.0003523200000000 ] - [ 0.0043814200000000, -0.0013928300000000, 0.0016272800000000 ] - [ -0.0017885900000000, 0.0003542600000000, -0.0002539700000000 ] - [ -0.0010922800000000, 0.0021782200000000, -0.0010560700000000 ] - [ -0.0023039100000000, -0.0001757900000000, 0.0010514800000000 ] - [ -0.0018187600000000, -0.0015193400000000, -0.0022450800000000 ] - [ -0.0014184400000000, 0.0017996700000000, 0.0008986600000000 ] - [ 0.0032230400000000, -0.0002433500000000, 0.0034883300000000 ] - [ -0.0012499600000000, 0.0003793100000000, -0.0007171700000000 ] - [ -0.0208417800000000, 0.0191200500000000, 0.0245588700000000 ] - [ -0.0013689000000000, 0.0005100400000000, 0.0000244000000000 ] - [ 0.0020361300000000, -0.0003451900000000, 0.0002340000000000 ] - [ -0.0009296700000000, -0.0000274000000000, -0.0000267900000000 ] - [ -0.0018251100000000, 0.0012474800000000, -0.0003626200000000 ] - [ -0.0041954700000000, -0.0051410100000000, -0.0103068200000000 ] - [ -0.0012954900000000, -0.0010968100000000, -0.0001708100000000 ] - [ 0.0011236000000000, 0.0024215600000000, -0.0050460500000000 ] - [ 0.0027670600000000, -0.0005280900000000, 0.0009326700000000 ] - [ -0.0008148700000000, -0.0001619400000000, 0.0004882900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003386700000000, -0.0045398800000000, 0.0001355700000000 ] - [ 0.0005646600000000, -0.0004856400000000, -0.0000938600000000 ] - [ 0.0052834600000000, -0.0021075600000000, -0.0036563500000000 ] - [ 0.0001797000000000, -0.0000561200000000, 0.0000241500000000 ] - [ -0.0012098600000000, 0.0030929600000000, -0.0006654300000000 ] - [ -0.0003950900000000, 0.0002871100000000, -0.0001488300000000 ] - [ -0.0011912100000000, 0.0106606700000000, -0.0019379800000000 ] - [ -0.0004771800000000, -0.0004819800000000, 0.0005229700000000 ] - [ 0.0082085800000000, 0.0462526000000000, -0.0027857600000000 ] - [ -0.0002316300000000, 0.0001188600000000, 0.0000548800000000 ] - [ -0.0017381400000000, 0.0022313300000000, -0.0022345400000000 ] - [ 0.0008332400000000, 0.0010074000000000, -0.0004824300000000 ] - [ 0.0005750600000000, -0.0008735400000000, 0.0003498100000000 ] - [ 0.0000932900000000, -0.0034680500000000, -0.0017528400000000 ] - [ 0.0032749100000000, 0.0014608000000000, 0.0051417700000000 ] - [ -0.0002021400000000, 0.0007728400000000, 0.0003753400000000 ] - [ -0.0006362800000000, -0.0003228400000000, -0.0005238500000000 ] - [ 0.0015410000000000, -0.0001479200000000, 0.0010485200000000 ] - [ -0.0002226100000000, -0.0027808200000000, -0.0001469200000000 ] - [ -0.0002086400000000, -0.0002696000000000, 0.0000018400000000 ] - [ 0.0006673100000000, 0.0000931500000000, -0.0001997400000000 ] - [ -0.0010959400000000, -0.0012486000000000, -0.0008186400000000 ] - [ -0.0029919900000000, -0.0041368200000000, -0.0010350500000000 ] - [ -0.0001581200000000, 0.0000913300000000, 0.0002000300000000 ] - [ 0.0006819500000000, -0.0030581600000000, -0.0003046000000000 ] - [ 0.0003333400000000, -0.0010217800000000, -0.0008849300000000 ] - [ -0.0031411500000000, -0.0057647200000000, -0.0022615800000000 ] - [ 0.0000323700000000, -0.0001150400000000, 0.0007081900000000 ] - [ 0.0009899200000000, 0.0015759000000000, 0.0021158100000000 ] - [ -0.0044019500000000, 0.0118995600000000, 0.0033345200000000 ] - [ -0.0003133800000000, -0.0012365700000000, -0.0001000000000000 ] - [ 0.0006347500000000, -0.0020536800000000, 0.0009678400000000 ] - [ 0.0065633500000000, 0.0047239800000000, 0.0037815800000000 ] - [ -0.0003015200000000, 0.0004921300000000, -0.0009372000000000 ] - [ -0.0017613000000000, -0.0080070400000000, -0.0011706100000000 ] - [ 0.0000755500000000, -0.0001453700000000, -0.0005222200000000 ] - [ 0.0061827400000000, 0.0635368100000000, -0.0079417100000000 ] - [ 0.0001345200000000, 0.0003272400000000, 0.0008171000000000 ] - [ -0.0021652700000000, 0.0044659600000000, 0.0030714000000000 ] - [ 0.0000974800000000, 0.0000756400000000, -0.0005750500000000 ] - [ -0.0113227600000000, -0.1366900000000000, 0.0034210200000000 ] - [ 0.0009518200000000, -0.0004580800000000, -0.0004236400000000 ] - [ -0.0002772800000000, 0.0001419400000000, -0.0000267800000000 ] - [ -0.0004269000000000, 0.0007380500000000, -0.0004364500000000 ] - [ 0.0002744300000000, 0.0002439400000000, -0.0000913500000000 ] - [ -0.0003378100000000, 0.0007051500000000, -0.0008023000000000 ] - [ 0.0144541000000000, 0.0006401200000000, -0.0246631600000000 ] - [ -0.0004098900000000, 0.0003219100000000, -0.0003723700000000 ] - [ -0.0009315700000000, 0.0007444100000000, 0.0003787800000000 ] - [ -0.0012911400000000, 0.0007859000000000, 0.0003355300000000 ] - [ -0.0006416600000000, -0.0024732000000000, -0.0007654500000000 ] - [ 0.0002285400000000, -0.0006529100000000, -0.0000688000000000 ] - [ -0.0094002900000000, 0.0065168000000000, -0.0068701300000000 ] - [ -0.0002241600000000, -0.0002152700000000, -0.0002909800000000 ] - [ -0.0019183400000000, -0.0010750000000000, -0.0004426200000000 ] - [ 0.0016617600000000, -0.0017565000000000, -0.0008104100000000 ] - [ 0.0009990900000000, 0.0025007800000000, -0.0001844400000000 ] - [ -0.0001841300000000, -0.0002139000000000, 0.0000250200000000 ] - [ 0.0002122800000000, 0.0076315200000000, -0.0023693600000000 ] - [ 0.0005962900000000, 0.0006695000000000, 0.0000334500000000 ] - [ 0.0008788700000000, 0.0007910800000000, -0.0002924200000000 ] - [ -0.0000844200000000, 0.0002591900000000, 0.0006680100000000 ] - [ 0.0003923600000000, 0.0009136300000000, -0.0000343200000000 ] - [ -0.0004785800000000, 0.0004307800000000, -0.0008344400000000 ] - [ 0.0013868000000000, -0.0032754200000000, -0.0010678200000000 ] - [ 0.0004645000000000, -0.0008056700000000, 0.0000573700000000 ] - [ 0.0009510900000000, 0.0021684600000000, -0.0004641400000000 ] - [ -0.0000285700000000, 0.0007400500000000, -0.0001818000000000 ] - [ 0.0008516100000000, 0.0036015700000000, -0.0002602500000000 ] - [ 0.0009673400000000, 0.0003263700000000, -0.0004010900000000 ] - [ -0.0002425800000000, -0.0018057000000000, 0.0015835900000000 ] - [ -0.0001328100000000, -0.0001592500000000, 0.0005540700000000 ] - [ -0.0014763200000000, -0.0002047000000000, -0.0025749100000000 ] - [ 0.0006689400000000, -0.0002225800000000, 0.0010670800000000 ] - [ -0.0012567300000000, 0.0062633700000000, 0.0145546300000000 ] - [ -0.0003227000000000, -0.0004434900000000, -0.0003040100000000 ] - [ 0.0179683500000000, -0.0064162600000000, 0.0001747200000000 ] - [ 0.0001443700000000, 0.0000575900000000, 0.0003190600000000 ] - [ 0.0007239000000000, -0.0007564000000000, -0.0011037400000000 ] - [ -0.0027998400000000, -0.0055884000000000, -0.0028453700000000 ] - [ -0.0002340500000000, 0.0017003700000000, 0.0003524200000000 ] - [ 0.0005790300000000, 0.0009322400000000, 0.0005091500000000 ] - [ -0.0011199100000000, 0.0024913100000000, -0.0001306600000000 ] - [ -0.0005480100000000, 0.0004612600000000, -0.0004345300000000 ] - [ 0.0052748100000000, 0.0011806500000000, -0.0054475300000000 ] - [ -0.0002532300000000, 0.0001221500000000, 0.0003273100000000 ] - [ -0.0001340400000000, 0.0027660500000000, 0.0010341400000000 ] - [ -0.0002957000000000, 0.0002206200000000, 0.0004534300000000 ] - [ -0.0028881900000000, -0.0013480600000000, 0.0005358700000000 ] - [ -0.0005331500000000, -0.0001569100000000, 0.0005520000000000 ] - [ 0.0002604200000000, 0.0010396500000000, -0.0000594500000000 ] - [ -0.0013560400000000, 0.0005651700000000, -0.0003182300000000 ] - [ 0.0028534500000000, -0.0000018000000000, 0.0022615100000000 ] - [ 0.0002457300000000, -0.0003174400000000, 0.0003879800000000 ] - [ -0.0314161800000000, 0.0065759100000000, 0.0246213700000000 ] - [ -0.0001236000000000, 0.0001565200000000, -0.0000398100000000 ] - [ 0.0001131100000000, 0.0021312800000000, -0.0005402800000000 ] - [ -0.0001550100000000, -0.0000207400000000, 0.0002028700000000 ] - [ -0.0006873400000000, 0.0001954700000000, -0.0005369300000000 ] - [ 0.0087979600000000, -0.0004483300000000, 0.0102004700000000 ] - [ -0.0004389100000000, -0.0010394900000000, -0.0006236700000000 ] - [ -0.0017582500000000, -0.0033206800000000, -0.0008318300000000 ] - [ -0.0006295800000000, 0.0013774100000000, 0.0011943700000000 ] - [ 0.0000936400000000, -0.0000865400000000, 0.0006690600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012272800000000, 0.0043774700000000, -0.0001831700000000 ] - [ 0.0003305600000000, 0.0003098000000000, 0.0000491100000000 ] - [ -0.0043632200000000, 0.0022747800000000, 0.0035772400000000 ] - [ 0.0007181900000000, 0.0002359100000000, -0.0000693300000000 ] - [ 0.0003047000000000, -0.0032673700000000, 0.0006982400000000 ] - [ -0.0004943200000000, -0.0004677100000000, 0.0001983300000000 ] - [ 0.0003017300000000, -0.0113255600000000, 0.0029364300000000 ] - [ 0.0001736700000000, -0.0006005700000000, 0.0003691000000000 ] - [ -0.0097040000000000, -0.0496843000000000, 0.0031377600000000 ] - [ -0.0003316000000000, -0.0000484500000000, 0.0000422500000000 ] - [ 0.0023385700000000, -0.0023221900000000, 0.0021633500000000 ] - [ -0.0002571100000000, -0.0010808500000000, 0.0003844600000000 ] - [ -0.0002637000000000, -0.0002113800000000, -0.0012464800000000 ] - [ 0.0002140800000000, 0.0023890400000000, 0.0008644600000000 ] - [ -0.0036009200000000, -0.0003760800000000, -0.0042868900000000 ] - [ -0.0001055900000000, 0.0003109400000000, 0.0005203600000000 ] - [ 0.0012047100000000, 0.0003909900000000, 0.0004238500000000 ] - [ -0.0009684300000000, 0.0002193600000000, -0.0011351100000000 ] - [ -0.0003509200000000, 0.0027129400000000, 0.0002397000000000 ] - [ -0.0003554400000000, 0.0002016400000000, 0.0000981300000000 ] - [ -0.0003542100000000, 0.0009900700000000, -0.0006911900000000 ] - [ 0.0014084500000000, 0.0023347900000000, -0.0000720200000000 ] - [ 0.0020785200000000, 0.0043687500000000, 0.0010926300000000 ] - [ -0.0007316600000000, 0.0000852400000000, -0.0001555300000000 ] - [ -0.0005267400000000, 0.0030307900000000, -0.0009672900000000 ] - [ -0.0001749000000000, 0.0009870900000000, -0.0003792000000000 ] - [ 0.0029924900000000, 0.0057746500000000, 0.0034946900000000 ] - [ -0.0001800100000000, 0.0001495400000000, 0.0005626000000000 ] - [ -0.0009918100000000, -0.0010271400000000, -0.0009043700000000 ] - [ 0.0043968800000000, -0.0113701900000000, -0.0021097500000000 ] - [ 0.0003020900000000, 0.0006956600000000, 0.0013342700000000 ] - [ -0.0006401400000000, 0.0014976800000000, 0.0002477900000000 ] - [ -0.0064502800000000, -0.0047355300000000, -0.0050628600000000 ] - [ 0.0004587800000000, -0.0004548900000000, -0.0003272200000000 ] - [ 0.0017467700000000, 0.0085230800000000, -0.0000621500000000 ] - [ -0.0000617500000000, 0.0007014400000000, -0.0006975500000000 ] - [ -0.0077585500000000, -0.0639209500000000, 0.0101436200000000 ] - [ -0.0002776000000000, -0.0003607900000000, 0.0004517600000000 ] - [ 0.0021732500000000, -0.0050229800000000, -0.0043151700000000 ] - [ -0.0000847400000000, -0.0006338500000000, -0.0006460900000000 ] - [ 0.0159706800000000, 0.1397463300000000, -0.0052592100000000 ] - [ 0.0010114400000000, -0.0000947900000000, -0.0004253600000000 ] - [ -0.0007287000000000, -0.0011370700000000, -0.0001792600000000 ] - [ -0.0005720700000000, -0.0017234500000000, 0.0002364500000000 ] - [ -0.0000653900000000, 0.0001596500000000, -0.0005838800000000 ] - [ 0.0005459200000000, -0.0003061400000000, 0.0001389200000000 ] - [ -0.0151040100000000, 0.0001207800000000, 0.0238299100000000 ] - [ -0.0002934400000000, 0.0004911800000000, -0.0002372500000000 ] - [ -0.0010398400000000, -0.0013000400000000, 0.0004746900000000 ] - [ -0.0006818900000000, -0.0013374000000000, 0.0005131100000000 ] - [ 0.0009418300000000, 0.0018488500000000, 0.0006755400000000 ] - [ 0.0000625900000000, 0.0000086200000000, -0.0000184100000000 ] - [ 0.0086186100000000, -0.0071046800000000, 0.0060315700000000 ] - [ -0.0006881800000000, -0.0002711400000000, -0.0006376400000000 ] - [ 0.0021662900000000, 0.0012367200000000, -0.0006343800000000 ] - [ -0.0014410100000000, 0.0019188000000000, -0.0002835100000000 ] - [ -0.0012923900000000, -0.0031372800000000, 0.0002772100000000 ] - [ -0.0001139300000000, -0.0004247000000000, 0.0000624800000000 ] - [ 0.0007695900000000, -0.0065623900000000, 0.0025291500000000 ] - [ 0.0003969800000000, 0.0003100800000000, 0.0001665500000000 ] - [ -0.0004283000000000, -0.0002110600000000, 0.0015651300000000 ] - [ 0.0005343300000000, 0.0003231800000000, 0.0005947700000000 ] - [ -0.0001465400000000, -0.0010850000000000, -0.0010573000000000 ] - [ 0.0007246000000000, -0.0005916400000000, -0.0002464800000000 ] - [ -0.0003921800000000, 0.0022951200000000, 0.0012767200000000 ] - [ 0.0005314600000000, -0.0001791500000000, 0.0001396500000000 ] - [ -0.0006668800000000, -0.0015377000000000, 0.0003865100000000 ] - [ 0.0003201300000000, -0.0001001500000000, 0.0000954000000000 ] - [ 0.0010992000000000, -0.0030453000000000, -0.0005618900000000 ] - [ 0.0010041900000000, 0.0002276800000000, -0.0004541100000000 ] - [ 0.0000112900000000, 0.0016475100000000, -0.0004861500000000 ] - [ -0.0001063900000000, 0.0000013200000000, 0.0005301700000000 ] - [ 0.0021945400000000, -0.0006036500000000, 0.0032070600000000 ] - [ 0.0000317100000000, -0.0005895700000000, -0.0004632300000000 ] - [ 0.0005261400000000, -0.0070300400000000, -0.0149896600000000 ] - [ -0.0003829100000000, -0.0003676000000000, -0.0003051900000000 ] - [ -0.0171074700000000, 0.0067687800000000, 0.0008042500000000 ] - [ 0.0007552700000000, 0.0004272800000000, 0.0006017300000000 ] - [ -0.0005279800000000, 0.0003578700000000, 0.0004450000000000 ] - [ 0.0029992700000000, 0.0051798300000000, 0.0021741200000000 ] - [ 0.0009344600000000, -0.0008910200000000, 0.0002554400000000 ] - [ 0.0001222900000000, -0.0001274600000000, 0.0000935600000000 ] - [ 0.0002132100000000, -0.0020035900000000, -0.0007904300000000 ] - [ -0.0003627800000000, 0.0000253700000000, -0.0004924300000000 ] - [ -0.0055176200000000, -0.0008037700000000, 0.0061450300000000 ] - [ 0.0000416600000000, 0.0002811700000000, 0.0003458100000000 ] - [ -0.0000898100000000, -0.0026084100000000, 0.0000474700000000 ] - [ 0.0000545500000000, -0.0000616900000000, 0.0006304100000000 ] - [ 0.0009294800000000, 0.0019159100000000, 0.0003076900000000 ] - [ -0.0014434400000000, 0.0007121500000000, 0.0003016000000000 ] - [ -0.0007157000000000, -0.0004706300000000, -0.0012156000000000 ] - [ 0.0009043900000000, 0.0000213300000000, -0.0009443300000000 ] - [ -0.0019346300000000, -0.0004843200000000, -0.0013231100000000 ] - [ 0.0006576100000000, -0.0001700500000000, 0.0005341200000000 ] - [ 0.0313892600000000, -0.0059493000000000, -0.0247684500000000 ] - [ -0.0001740700000000, 0.0004773600000000, 0.0001261300000000 ] - [ -0.0003134800000000, -0.0025289100000000, 0.0012061100000000 ] - [ -0.0000536800000000, -0.0003802200000000, 0.0004611100000000 ] - [ -0.0003132300000000, 0.0007902300000000, 0.0003376100000000 ] - [ -0.0098769200000000, 0.0014389100000000, -0.0105197700000000 ] - [ -0.0000113200000000, 0.0004584600000000, -0.0006414600000000 ] - [ 0.0013233100000000, 0.0027507300000000, -0.0004466300000000 ] - [ 0.0011038100000000, -0.0018787700000000, 0.0001018300000000 ] - [ 0.0003530200000000, -0.0004940200000000, 0.0005963600000000 ]- atom: 41 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ -0.0006152900000000, 0.0010691300000000, 0.0004516000000000 ] - [ 0.0009279400000000, 0.0000369100000000, 0.0001543500000000 ] - [ 0.0063672700000000, -0.0029932300000000, -0.0067485500000000 ] - [ 0.0011884800000000, 0.0002882400000000, 0.0002797000000000 ] - [ -0.0014752600000000, 0.0010083700000000, -0.0052130400000000 ] - [ 0.0000246400000000, -0.0004281200000000, 0.0004595100000000 ] - [ -0.0006512600000000, -0.0018299000000000, 0.0015910700000000 ] - [ 0.0008322900000000, -0.0004474100000000, 0.0007135400000000 ] - [ -0.0062063400000000, -0.0001713200000000, 0.0050618400000000 ] - [ 0.0004551900000000, 0.0000471400000000, 0.0003863600000000 ] - [ 0.0028762900000000, -0.0014710500000000, 0.0031116900000000 ] - [ 0.0022990600000000, -0.0001227900000000, -0.0016914800000000 ] - [ 0.0004962100000000, -0.0004762200000000, -0.0010049700000000 ] - [ -0.0003687000000000, -0.0001148400000000, -0.0004823500000000 ] - [ -0.0049728900000000, 0.0012567000000000, -0.0084144200000000 ] - [ 0.0003672200000000, 0.0005090300000000, 0.0007023500000000 ] - [ 0.0000748900000000, -0.0002855600000000, -0.0007763400000000 ] - [ 0.0000036500000000, 0.0003256700000000, 0.0004682400000000 ] - [ -0.0012849300000000, 0.0001707000000000, -0.0014250300000000 ] - [ 0.0002771700000000, 0.0000484900000000, 0.0003539800000000 ] - [ 0.0007584700000000, 0.0006582400000000, 0.0002612900000000 ] - [ 0.0012417100000000, 0.0020022700000000, 0.0001724300000000 ] - [ 0.0004413600000000, 0.0058027100000000, 0.0032911800000000 ] - [ 0.0001815500000000, -0.0001302900000000, 0.0002043400000000 ] - [ 0.0016844700000000, 0.0000833700000000, -0.0017425500000000 ] - [ 0.0004938200000000, 0.0001274700000000, 0.0000180000000000 ] - [ 0.0002739200000000, -0.0055110900000000, -0.0075645300000000 ] - [ 0.0006519000000000, 0.0001259300000000, 0.0009815800000000 ] - [ 0.0024738900000000, 0.0004314100000000, 0.0005515800000000 ] - [ -0.0029185000000000, 0.0006739000000000, 0.0098711400000000 ] - [ -0.0000761500000000, 0.0004720400000000, 0.0018503900000000 ] - [ 0.0013403200000000, -0.0009559400000000, -0.0012685400000000 ] - [ -0.0048106800000000, 0.0003932400000000, -0.0002136400000000 ] - [ 0.0013111900000000, 0.0001837800000000, -0.0008904000000000 ] - [ -0.0041427600000000, 0.0005678900000000, -0.0000606200000000 ] - [ 0.0010378800000000, 0.0003070200000000, -0.0003273500000000 ] - [ -0.1881876900000000, -0.0166436800000000, 0.1582570800000000 ] - [ 0.0012657800000000, 0.0000737900000000, 0.0010408300000000 ] - [ 0.0004490000000000, -0.0032976400000000, -0.0096811700000000 ] - [ 0.0008107800000000, -0.0003304900000000, 0.0000594700000000 ] - [ 0.2587394000000000, 0.0081926200000000, -0.2090647500000000 ] - [ 0.0002048300000000, -0.0002687300000000, -0.0003874800000000 ] - [ -0.0007760400000000, -0.0008321700000000, -0.0004987000000000 ] - [ -0.0007348700000000, -0.0007761900000000, 0.0005424300000000 ] - [ 0.0001676200000000, 0.0002938800000000, -0.0008066200000000 ] - [ 0.0001439600000000, -0.0002024200000000, 0.0010498300000000 ] - [ -0.0185065600000000, -0.0152867500000000, 0.0221662100000000 ] - [ -0.0007968300000000, 0.0005016000000000, -0.0007289100000000 ] - [ -0.0020343200000000, -0.0002161100000000, 0.0012260800000000 ] - [ -0.0010133800000000, -0.0003190000000000, 0.0002350700000000 ] - [ 0.0031531400000000, -0.0012026400000000, 0.0006837100000000 ] - [ -0.0001842000000000, -0.0001768100000000, 0.0000454400000000 ] - [ 0.0046660600000000, -0.0034454100000000, 0.0006184400000000 ] - [ -0.0011186700000000, -0.0003947300000000, -0.0007095800000000 ] - [ -0.0022652900000000, -0.0006301800000000, 0.0006768200000000 ] - [ -0.0004127700000000, -0.0002100100000000, -0.0025622800000000 ] - [ -0.0000664600000000, 0.0013481800000000, 0.0014705500000000 ] - [ -0.0004441800000000, -0.0004186800000000, -0.0000037300000000 ] - [ 0.0015662800000000, 0.0022835000000000, -0.0012779300000000 ] - [ 0.0000025100000000, 0.0002814800000000, -0.0000214500000000 ] - [ -0.0000535300000000, -0.0000621000000000, 0.0034883300000000 ] - [ 0.0000419000000000, 0.0002751600000000, 0.0004920700000000 ] - [ 0.0003850500000000, -0.0009921500000000, -0.0015038000000000 ] - [ -0.0004576600000000, 0.0001533300000000, -0.0003701400000000 ] - [ 0.0001357400000000, 0.0009874300000000, 0.0029998700000000 ] - [ 0.0002100500000000, -0.0002806100000000, -0.0002430600000000 ] - [ -0.0009810700000000, -0.0006952000000000, 0.0006033900000000 ] - [ -0.0000502800000000, 0.0003447000000000, -0.0002169800000000 ] - [ -0.0019253300000000, 0.0001016300000000, 0.0048405900000000 ] - [ 0.0005901700000000, 0.0002520500000000, -0.0004970400000000 ] - [ 0.0005234000000000, -0.0001288800000000, 0.0052342300000000 ] - [ -0.0008300700000000, -0.0001671200000000, 0.0001146100000000 ] - [ 0.0012529800000000, -0.0007792000000000, 0.0013961100000000 ] - [ 0.0001045200000000, -0.0005460500000000, 0.0002330700000000 ] - [ -0.0011822000000000, 0.0132174800000000, 0.0183604800000000 ] - [ -0.0007178900000000, -0.0004457400000000, -0.0006448000000000 ] - [ -0.0079243800000000, -0.0022979300000000, -0.0050167300000000 ] - [ -0.0006394800000000, 0.0002514700000000, 0.0000628900000000 ] - [ -0.0010593900000000, -0.0001460800000000, -0.0001316400000000 ] - [ -0.0084899600000000, -0.0026433400000000, -0.0072896100000000 ] - [ -0.0005418200000000, 0.0010812400000000, 0.0000204300000000 ] - [ 0.0001221600000000, 0.0001222100000000, -0.0001209200000000 ] - [ -0.0009085800000000, 0.0017120300000000, 0.0006566500000000 ] - [ -0.0009202000000000, 0.0002342200000000, -0.0008068600000000 ] - [ -0.0059205000000000, -0.0020416200000000, 0.0081071300000000 ] - [ -0.0003923500000000, 0.0001110400000000, 0.0000063600000000 ] - [ 0.0022371500000000, -0.0014150300000000, -0.0001021900000000 ] - [ -0.0007964400000000, 0.0001924200000000, 0.0002430300000000 ] - [ 0.0003359500000000, 0.0011356300000000, -0.0012211100000000 ] - [ -0.0020817000000000, 0.0002195500000000, 0.0008335000000000 ] - [ -0.0007953300000000, -0.0006150300000000, -0.0014829500000000 ] - [ -0.0014272500000000, 0.0011487300000000, 0.0003772600000000 ] - [ 0.0025324600000000, 0.0003219100000000, 0.0038319100000000 ] - [ 0.0001163200000000, -0.0000967600000000, 0.0001965600000000 ] - [ -0.0291080300000000, 0.0205645600000000, 0.0168562700000000 ] - [ -0.0006106300000000, 0.0003734900000000, 0.0000141700000000 ] - [ 0.0009828500000000, -0.0002584900000000, 0.0000463300000000 ] - [ -0.0004459600000000, -0.0001739400000000, 0.0003074300000000 ] - [ -0.0012610900000000, 0.0009128000000000, -0.0001291600000000 ] - [ 0.0013732600000000, 0.0010941500000000, -0.0031818000000000 ] - [ -0.0008734300000000, -0.0009556600000000, -0.0001685500000000 ] - [ 0.0028580500000000, 0.0008380100000000, -0.0022042800000000 ] - [ 0.0016776000000000, -0.0006415700000000, -0.0000189500000000 ] - [ -0.0002712100000000, -0.0002380200000000, 0.0005862300000000 ]- atom: 41 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0015020000000000, -0.0012640000000000, -0.0004938500000000 ] - [ -0.0000387500000000, -0.0002188400000000, -0.0002039800000000 ] - [ -0.0055039300000000, 0.0031795500000000, 0.0067303600000000 ] - [ -0.0003046300000000, -0.0001076700000000, -0.0003279100000000 ] - [ 0.0005688300000000, -0.0011948100000000, 0.0052583400000000 ] - [ -0.0009178300000000, 0.0002471000000000, -0.0004166100000000 ] - [ 0.0001016900000000, 0.0009432000000000, -0.0007100500000000 ] - [ -0.0011435300000000, -0.0006379200000000, 0.0001775800000000 ] - [ 0.0056513800000000, 0.0003356700000000, -0.0050278000000000 ] - [ -0.0010275000000000, 0.0000242900000000, -0.0002942500000000 ] - [ -0.0023016700000000, 0.0013961700000000, -0.0032033600000000 ] - [ -0.0017289900000000, 0.0000486200000000, 0.0016107800000000 ] - [ -0.0001903300000000, -0.0006127700000000, 0.0001162000000000 ] - [ 0.0006915500000000, -0.0009892000000000, -0.0004268400000000 ] - [ 0.0047165900000000, -0.0001704100000000, 0.0093557000000000 ] - [ -0.0006806300000000, 0.0005785800000000, 0.0001923900000000 ] - [ 0.0004881500000000, 0.0003553900000000, 0.0006821700000000 ] - [ 0.0005662600000000, -0.0002530500000000, -0.0005707200000000 ] - [ 0.0007263600000000, -0.0002443400000000, 0.0015226800000000 ] - [ -0.0008493700000000, -0.0001190700000000, -0.0002595800000000 ] - [ -0.0004522900000000, 0.0004261400000000, -0.0011616200000000 ] - [ -0.0009304400000000, -0.0009139800000000, -0.0010564700000000 ] - [ -0.0013467300000000, -0.0056270300000000, -0.0032829800000000 ] - [ -0.0010748400000000, 0.0003113300000000, -0.0001550700000000 ] - [ -0.0015514400000000, -0.0001132000000000, 0.0004822700000000 ] - [ -0.0003522200000000, -0.0001611100000000, -0.0012797200000000 ] - [ -0.0004321800000000, 0.0055705900000000, 0.0088598100000000 ] - [ -0.0008057600000000, -0.0000922100000000, 0.0002801900000000 ] - [ -0.0024988100000000, 0.0001180300000000, 0.0006569000000000 ] - [ 0.0028325800000000, -0.0000847700000000, -0.0086742400000000 ] - [ 0.0000680600000000, -0.0010231000000000, -0.0006258800000000 ] - [ -0.0013454300000000, 0.0004048200000000, 0.0024977700000000 ] - [ 0.0049924700000000, -0.0003380700000000, -0.0010302600000000 ] - [ -0.0011615400000000, -0.0001461400000000, -0.0003774800000000 ] - [ 0.0041879500000000, 0.0000001400000000, -0.0011638000000000 ] - [ -0.0010368400000000, 0.0002471600000000, -0.0008940100000000 ] - [ 0.2005002500000000, 0.0179780800000000, -0.1635848400000000 ] - [ -0.0014171200000000, -0.0001051600000000, 0.0002230000000000 ] - [ -0.0004263700000000, 0.0027610400000000, 0.0084736300000000 ] - [ -0.0008091500000000, -0.0002245500000000, -0.0012869900000000 ] - [ -0.2698899000000000, -0.0105176200000000, 0.2153089200000000 ] - [ 0.0017487300000000, -0.0002779300000000, -0.0004471600000000 ] - [ -0.0002285600000000, -0.0001750600000000, 0.0003059700000000 ] - [ -0.0002709700000000, -0.0002277400000000, -0.0007414600000000 ] - [ 0.0000444300000000, 0.0001071000000000, 0.0001286300000000 ] - [ 0.0000576200000000, 0.0006042300000000, -0.0017286000000000 ] - [ 0.0182298500000000, 0.0165346900000000, -0.0233148800000000 ] - [ 0.0000994500000000, 0.0002961100000000, 0.0001270300000000 ] - [ 0.0000919300000000, -0.0003314100000000, -0.0003933100000000 ] - [ -0.0009338700000000, -0.0002260400000000, 0.0006023000000000 ] - [ -0.0028256800000000, 0.0005499100000000, -0.0007733800000000 ] - [ 0.0004969000000000, -0.0004676600000000, -0.0001296800000000 ] - [ -0.0056017000000000, 0.0030126800000000, -0.0015727200000000 ] - [ 0.0002234700000000, -0.0000717200000000, -0.0002097600000000 ] - [ 0.0025378000000000, 0.0008039300000000, -0.0017520600000000 ] - [ 0.0006757100000000, 0.0003674200000000, 0.0014856800000000 ] - [ -0.0002363200000000, -0.0019767000000000, -0.0013899300000000 ] - [ 0.0001304700000000, -0.0002226800000000, 0.0000917000000000 ] - [ -0.0005769500000000, -0.0013213400000000, 0.0014900500000000 ] - [ 0.0010016500000000, 0.0007219600000000, 0.0002163700000000 ] - [ 0.0004957000000000, 0.0006451600000000, -0.0022223000000000 ] - [ 0.0004122200000000, 0.0003155700000000, 0.0007706900000000 ] - [ -0.0001352600000000, 0.0008257000000000, 0.0004270100000000 ] - [ 0.0007095700000000, -0.0003220100000000, -0.0007081600000000 ] - [ 0.0008578600000000, -0.0019948900000000, -0.0028183800000000 ] - [ 0.0007943600000000, -0.0007246600000000, 0.0004369500000000 ] - [ 0.0013002400000000, 0.0013404400000000, -0.0006854400000000 ] - [ 0.0003677100000000, 0.0002994000000000, 0.0001303000000000 ] - [ 0.0038764300000000, 0.0004622100000000, -0.0056825000000000 ] - [ 0.0013643800000000, 0.0002953400000000, -0.0003398700000000 ] - [ -0.0007755700000000, -0.0000409500000000, -0.0041623400000000 ] - [ 0.0005871800000000, 0.0000006200000000, 0.0009688100000000 ] - [ -0.0005609100000000, -0.0000180600000000, -0.0008065600000000 ] - [ 0.0005956200000000, -0.0002511400000000, 0.0003775600000000 ] - [ 0.0004497200000000, -0.0138299500000000, -0.0188132400000000 ] - [ 0.0000196100000000, -0.0003515600000000, 0.0000440200000000 ] - [ 0.0087793900000000, 0.0027138300000000, 0.0060522800000000 ] - [ 0.0015369400000000, 0.0002140000000000, 0.0008581000000000 ] - [ 0.0012670000000000, -0.0002518800000000, -0.0005365000000000 ] - [ 0.0086886200000000, 0.0022372900000000, 0.0065603400000000 ] - [ 0.0012498500000000, -0.0002919800000000, 0.0005887900000000 ] - [ 0.0005805900000000, 0.0006748000000000, 0.0007237000000000 ] - [ 0.0000195400000000, -0.0012602500000000, -0.0015802900000000 ] - [ 0.0000264500000000, 0.0002323900000000, -0.0001123500000000 ] - [ 0.0056765900000000, 0.0024028400000000, -0.0074224700000000 ] - [ 0.0001827000000000, 0.0002915400000000, 0.0006771300000000 ] - [ -0.0025024400000000, 0.0015896900000000, 0.0011851700000000 ] - [ 0.0005514500000000, -0.0000253100000000, 0.0008379400000000 ] - [ -0.0022935700000000, -0.0005910700000000, 0.0020618900000000 ] - [ 0.0001269600000000, 0.0003265700000000, 0.0000022500000000 ] - [ 0.0003436000000000, 0.0012041800000000, 0.0002194200000000 ] - [ 0.0009779700000000, -0.0005578700000000, -0.0016462400000000 ] - [ -0.0016283900000000, -0.0007891000000000, -0.0029121300000000 ] - [ 0.0007834800000000, -0.0003714600000000, 0.0007277800000000 ] - [ 0.0293600300000000, -0.0203918800000000, -0.0170084600000000 ] - [ 0.0002989700000000, 0.0002658300000000, 0.0000723800000000 ] - [ -0.0012051300000000, -0.0001434300000000, 0.0006390500000000 ] - [ 0.0002401200000000, -0.0002260300000000, 0.0003662900000000 ] - [ 0.0002637800000000, 0.0000881600000000, -0.0000623200000000 ] - [ -0.0023315300000000, -0.0000749100000000, 0.0030587100000000 ] - [ 0.0004268400000000, 0.0003688400000000, -0.0010947700000000 ] - [ -0.0033126000000000, -0.0014431900000000, 0.0009603800000000 ] - [ -0.0012323100000000, 0.0000426300000000, 0.0012742700000000 ] - [ 0.0007264300000000, -0.0003521200000000, 0.0006779000000000 ]- atom: 43 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ -0.0060489800000000, 0.0050532200000000, 0.0005010200000000 ] - [ -0.0021880300000000, -0.0008159300000000, 0.0009711400000000 ] - [ 0.0007514700000000, 0.0001480100000000, -0.0000953600000000 ] - [ -0.0003980000000000, -0.0004259900000000, -0.0008431000000000 ] - [ -0.0009246300000000, -0.0008859300000000, 0.0005349000000000 ] - [ -0.0015291300000000, 0.0006597100000000, -0.0003871600000000 ] - [ -0.0016935800000000, -0.0008008600000000, -0.0001024700000000 ] - [ 0.0024774400000000, 0.0005716200000000, 0.0017452400000000 ] - [ -0.0015307900000000, 0.0002563800000000, -0.0005177700000000 ] - [ -0.0007045600000000, -0.0013635500000000, 0.0013366300000000 ] - [ 0.0021801800000000, -0.0018829700000000, 0.0004727400000000 ] - [ -0.0008591600000000, -0.0001709000000000, -0.0004467100000000 ] - [ 0.0039927000000000, 0.0000918400000000, 0.0013519300000000 ] - [ -0.0013473100000000, -0.0004646500000000, -0.0011733900000000 ] - [ -0.0015574200000000, 0.0004128200000000, -0.0001897900000000 ] - [ 0.0063200200000000, -0.0013084200000000, 0.0019112000000000 ] - [ -0.0005545800000000, 0.0001710200000000, 0.0042688100000000 ] - [ -0.0016829000000000, 0.0000354600000000, -0.0011927800000000 ] - [ -0.0013536000000000, 0.0003668800000000, -0.0003245200000000 ] - [ 0.0021170500000000, -0.0001834500000000, -0.0050598100000000 ] - [ 0.0055261400000000, -0.0015938700000000, 0.0013793400000000 ] - [ -0.0013712100000000, 0.0006390600000000, -0.0009625000000000 ] - [ -0.0015362700000000, -0.0026482700000000, -0.0075808700000000 ] - [ -0.0010969000000000, 0.0004745400000000, -0.0003736700000000 ] - [ 0.0010874900000000, 0.0024971300000000, -0.0001585600000000 ] - [ -0.0024651500000000, 0.0000829500000000, -0.0021084700000000 ] - [ -0.0023065900000000, -0.0013161300000000, 0.0011937400000000 ] - [ -0.0051995000000000, 0.0058864800000000, 0.0009236100000000 ] - [ 0.0016054300000000, -0.0015799800000000, 0.0022000000000000 ] - [ -0.0019515000000000, 0.0002344000000000, -0.0005567000000000 ] - [ 0.1346609600000000, 0.1112547400000000, 0.0105975700000000 ] - [ -0.0023962000000000, -0.0001234000000000, -0.0004339000000000 ] - [ 0.0022232500000000, 0.0020386100000000, -0.0024643600000000 ] - [ -0.0018534900000000, -0.0002406800000000, -0.0010752800000000 ] - [ -0.0042151100000000, 0.0009771200000000, -0.0029612300000000 ] - [ -0.0001062400000000, 0.0044682800000000, 0.0025139500000000 ] - [ -0.0023063300000000, -0.0010453300000000, -0.0005906200000000 ] - [ -0.0002955800000000, -0.0005164000000000, 0.0005324500000000 ] - [ -0.0013589000000000, -0.0002505400000000, -0.0011194100000000 ] - [ 0.0004237400000000, -0.0063048400000000, -0.0006474800000000 ] - [ 0.0019477100000000, -0.0000420800000000, -0.0003075800000000 ] - [ 0.0007606000000000, -0.0001924300000000, -0.0007700300000000 ] - [ -0.1701604800000000, -0.1515619400000000, -0.0155000700000000 ] - [ 0.0005429100000000, -0.0001979600000000, 0.0004134500000000 ] - [ -0.0004918800000000, 0.0169968200000000, -0.0110303200000000 ] - [ 0.0010372300000000, -0.0000062200000000, 0.0000539800000000 ] - [ 0.0004010200000000, 0.0006769000000000, 0.0005035000000000 ] - [ -0.0008751300000000, 0.0002930000000000, -0.0000936300000000 ] - [ -0.0018467300000000, -0.0011546000000000, -0.0003441800000000 ] - [ 0.0004172400000000, -0.0002322500000000, 0.0007050400000000 ] - [ -0.0002661000000000, -0.0005303400000000, 0.0001574500000000 ] - [ 0.0008706500000000, -0.0004384500000000, -0.0000751100000000 ] - [ -0.0003929400000000, -0.0014836600000000, -0.0002679700000000 ] - [ 0.0008223700000000, 0.0003272600000000, -0.0000363800000000 ] - [ -0.0006381300000000, 0.0003561600000000, -0.0012152700000000 ] - [ 0.0014912700000000, 0.0002332100000000, 0.0003243800000000 ] - [ 0.0017936600000000, 0.0002204100000000, -0.0009236000000000 ] - [ 0.0054080000000000, -0.0028100200000000, 0.0009463800000000 ] - [ 0.0020825000000000, 0.0010477700000000, 0.0009445400000000 ] - [ -0.0007683200000000, -0.0011464600000000, -0.0014012300000000 ] - [ 0.0008488100000000, 0.0003072600000000, 0.0007622000000000 ] - [ -0.0018522400000000, 0.0089725700000000, 0.0023785200000000 ] - [ 0.0300909100000000, 0.0209635800000000, 0.0144851100000000 ] - [ 0.0019681100000000, -0.0004802100000000, -0.0000138300000000 ] - [ 0.0012224900000000, -0.0006520900000000, 0.0005146000000000 ] - [ -0.0019862300000000, 0.0031039900000000, -0.0007076500000000 ] - [ -0.0011130300000000, -0.0008620600000000, 0.0013980900000000 ] - [ 0.0008813200000000, 0.0003050900000000, 0.0003379200000000 ] - [ 0.0023024100000000, 0.0004508900000000, -0.0006838900000000 ] - [ 0.0046758900000000, -0.0090765100000000, 0.0031961400000000 ] - [ 0.0006280900000000, 0.0000955800000000, 0.0008319700000000 ] - [ 0.0004890700000000, 0.0006653700000000, 0.0010983800000000 ] - [ 0.0007162700000000, -0.0035292600000000, -0.0008165700000000 ] - [ 0.0012181700000000, -0.0003158900000000, 0.0009489000000000 ] - [ 0.0005084800000000, 0.0001232200000000, 0.0000537100000000 ] - [ -0.0004561600000000, -0.0021644600000000, -0.0017540000000000 ] - [ 0.0010030300000000, 0.0026662100000000, 0.0015465300000000 ] - [ 0.0008870700000000, 0.0002675800000000, 0.0006224300000000 ] - [ -0.0007724300000000, 0.0002319500000000, -0.0008535400000000 ] - [ 0.0008160700000000, 0.0000524800000000, 0.0001439500000000 ] - [ -0.0009046000000000, 0.0001006200000000, -0.0001954900000000 ] - [ 0.0013207700000000, 0.0006764300000000, 0.0014093300000000 ] - [ -0.0005640200000000, -0.0003201000000000, -0.0007102700000000 ] - [ 0.0008662900000000, 0.0002661600000000, 0.0007353200000000 ] - [ 0.0005767500000000, 0.0002522100000000, 0.0004688200000000 ] - [ 0.0009418100000000, 0.0053601300000000, 0.0011114100000000 ] - [ 0.0042441300000000, -0.0011255800000000, 0.0034447000000000 ] - [ 0.0003039300000000, -0.0006872900000000, -0.0000328700000000 ] - [ -0.0031250800000000, -0.0000140400000000, 0.0006720700000000 ] - [ 0.0001229500000000, 0.0003659700000000, 0.0003528300000000 ] - [ -0.0089355200000000, 0.0010090600000000, -0.0011694900000000 ] - [ 0.0007490200000000, 0.0000553000000000, -0.0005559300000000 ] - [ 0.0013474100000000, 0.0002580100000000, 0.0002862600000000 ] - [ 0.0027206800000000, -0.0017645000000000, 0.0013724600000000 ] - [ 0.0001235000000000, 0.0008760600000000, 0.0004921100000000 ] - [ -0.0000793200000000, 0.0006721200000000, 0.0002810500000000 ] - [ 0.0009063800000000, -0.0008116900000000, 0.0016078300000000 ] - [ -0.0012732200000000, -0.0008750500000000, -0.0003669700000000 ] - [ -0.0019494600000000, 0.0018229400000000, -0.0010164400000000 ] - [ 0.0004026700000000, 0.0001749900000000, 0.0004796400000000 ] - [ -0.0002629900000000, 0.0014291600000000, -0.0023641000000000 ] - [ 0.0007040100000000, -0.0002465000000000, -0.0003474300000000 ] - [ 0.0017291800000000, -0.0010073500000000, 0.0007413700000000 ] - [ 0.0032889700000000, -0.0003456600000000, -0.0033369300000000 ]- atom: 43 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.0069730400000000, -0.0052765600000000, -0.0005612700000000 ] - [ 0.0030699200000000, 0.0006294600000000, -0.0010107800000000 ] - [ 0.0001299100000000, 0.0000378600000000, 0.0000396300000000 ] - [ 0.0012915300000000, 0.0006061600000000, 0.0007936400000000 ] - [ 0.0000300800000000, 0.0007081200000000, -0.0004882300000000 ] - [ 0.0006427100000000, -0.0008398300000000, 0.0004379300000000 ] - [ 0.0013850400000000, -0.0002836800000000, 0.0009942600000000 ] - [ -0.0027575300000000, -0.0016553500000000, -0.0008550700000000 ] - [ 0.0009581700000000, -0.0001850600000000, 0.0006120100000000 ] - [ 0.0001391700000000, 0.0014355200000000, -0.0012382400000000 ] - [ -0.0016305700000000, 0.0017680900000000, -0.0005776200000000 ] - [ 0.0014322400000000, 0.0000973200000000, 0.0003530700000000 ] - [ -0.0036863100000000, -0.0011778800000000, -0.0022410200000000 ] - [ 0.0016581200000000, -0.0006258700000000, 0.0002823200000000 ] - [ 0.0012469200000000, 0.0006770900000000, 0.0010814400000000 ] - [ -0.0066303400000000, 0.0024013800000000, -0.0010105100000000 ] - [ 0.0011192800000000, -0.0000982100000000, -0.0043636300000000 ] - [ 0.0022546100000000, 0.0000377400000000, 0.0010989500000000 ] - [ 0.0007800100000000, -0.0004415500000000, 0.0004170300000000 ] - [ -0.0025944600000000, 0.0001785000000000, 0.0053431900000000 ] - [ -0.0052193900000000, 0.0025343500000000, -0.0020425800000000 ] - [ 0.0016836100000000, 0.0004457200000000, 0.0000700700000000 ] - [ 0.0006392700000000, 0.0028551000000000, 0.0076905000000000 ] - [ 0.0002101900000000, -0.0002925500000000, 0.0004253100000000 ] - [ -0.0009485700000000, -0.0025641900000000, -0.0011241200000000 ] - [ 0.0026175400000000, -0.0001166600000000, 0.0008446000000000 ] - [ 0.0021605300000000, 0.0013597000000000, 0.0000569700000000 ] - [ 0.0050690000000000, -0.0058135500000000, 0.0003099900000000 ] - [ -0.0016103700000000, 0.0021292900000000, -0.0009937600000000 ] - [ 0.0019517300000000, 0.0003202300000000, 0.0017821300000000 ] - [ -0.1372221500000000, -0.1176438300000000, -0.0095854100000000 ] - [ 0.0023930100000000, -0.0004320000000000, 0.0016559900000000 ] - [ -0.0021001600000000, -0.0020154800000000, 0.0012080500000000 ] - [ 0.0020052500000000, 0.0002744700000000, -0.0001864200000000 ] - [ 0.0042339400000000, -0.0004258700000000, 0.0017452200000000 ] - [ 0.0001160200000000, -0.0039182400000000, -0.0037226600000000 ] - [ 0.0021547600000000, 0.0010125800000000, 0.0018527700000000 ] - [ 0.0001531300000000, 0.0004836300000000, 0.0007332800000000 ] - [ 0.0013568800000000, -0.0003052300000000, -0.0001070900000000 ] - [ -0.0004059300000000, 0.0057328600000000, -0.0005833800000000 ] - [ 0.0000109100000000, -0.0004964400000000, -0.0005350200000000 ] - [ 0.0011897200000000, -0.0003437900000000, -0.0000722400000000 ] - [ 0.1721348700000000, 0.1569590100000000, 0.0152185900000000 ] - [ -0.0015494200000000, -0.0008022800000000, -0.0006176000000000 ] - [ 0.0007462600000000, -0.0167933300000000, 0.0104867600000000 ] - [ -0.0008163500000000, 0.0004000000000000, -0.0007296800000000 ] - [ -0.0011058400000000, 0.0001140000000000, -0.0011069700000000 ] - [ 0.0001663900000000, 0.0005028500000000, -0.0005140000000000 ] - [ -0.0001055900000000, 0.0006229100000000, 0.0011899700000000 ] - [ -0.0023744900000000, -0.0003038900000000, 0.0001394700000000 ] - [ 0.0005810800000000, -0.0001106500000000, -0.0002406800000000 ] - [ -0.0005663800000000, -0.0002061800000000, -0.0000049500000000 ] - [ -0.0004908600000000, 0.0010154800000000, -0.0006467700000000 ] - [ -0.0017148900000000, -0.0008022300000000, -0.0008845300000000 ] - [ 0.0008885500000000, -0.0001899700000000, 0.0001372200000000 ] - [ -0.0012530200000000, -0.0000687200000000, -0.0014138300000000 ] - [ -0.0021082300000000, -0.0008674000000000, 0.0010112700000000 ] - [ -0.0056280900000000, 0.0021421400000000, -0.0008474300000000 ] - [ -0.0010831800000000, -0.0000494700000000, -0.0007449000000000 ] - [ 0.0017685700000000, 0.0021426000000000, 0.0016031400000000 ] - [ -0.0004002800000000, 0.0002911600000000, 0.0005005100000000 ] - [ 0.0022634300000000, -0.0083527900000000, -0.0011026300000000 ] - [ -0.0305853000000000, -0.0215974400000000, -0.0159829300000000 ] - [ -0.0017193800000000, 0.0003117700000000, -0.0010741300000000 ] - [ -0.0002163100000000, -0.0003496000000000, -0.0003096800000000 ] - [ 0.0029785200000000, -0.0040908300000000, 0.0008938100000000 ] - [ 0.0014307800000000, 0.0015193200000000, -0.0014864800000000 ] - [ -0.0005767700000000, 0.0003381700000000, -0.0004170400000000 ] - [ -0.0003511100000000, 0.0000846100000000, -0.0001535600000000 ] - [ -0.0027345400000000, 0.0095670500000000, -0.0039998400000000 ] - [ -0.0008645800000000, -0.0002613400000000, 0.0002597700000000 ] - [ -0.0007375300000000, -0.0008324200000000, -0.0000113100000000 ] - [ -0.0000168900000000, 0.0027565200000000, 0.0014299500000000 ] - [ -0.0005104300000000, -0.0004780500000000, -0.0003436200000000 ] - [ -0.0012143800000000, -0.0009217200000000, -0.0006554600000000 ] - [ -0.0002565300000000, 0.0013563900000000, 0.0011420500000000 ] - [ -0.0000930800000000, -0.0022085200000000, -0.0006239200000000 ] - [ -0.0000019100000000, 0.0002091800000000, 0.0002917700000000 ] - [ 0.0009829700000000, -0.0006172800000000, 0.0001979700000000 ] - [ -0.0005978800000000, -0.0004488100000000, -0.0008188400000000 ] - [ 0.0016201300000000, 0.0006944100000000, 0.0008395000000000 ] - [ -0.0006134300000000, 0.0001178700000000, -0.0008030200000000 ] - [ -0.0003164900000000, 0.0008025900000000, -0.0001973400000000 ] - [ -0.0017638400000000, 0.0002101600000000, -0.0016509900000000 ] - [ -0.0007969000000000, 0.0001424200000000, 0.0002066900000000 ] - [ -0.0011546900000000, -0.0049348500000000, -0.0004296100000000 ] - [ -0.0045103600000000, 0.0013029800000000, -0.0023756500000000 ] - [ -0.0005501400000000, 0.0008539300000000, 0.0011129900000000 ] - [ 0.0011831600000000, 0.0005409500000000, 0.0001682900000000 ] - [ -0.0020794400000000, 0.0001713500000000, 0.0004901800000000 ] - [ 0.0086027000000000, -0.0001813700000000, -0.0000485500000000 ] - [ -0.0011981500000000, 0.0005440500000000, -0.0007048200000000 ] - [ -0.0004519000000000, -0.0007401800000000, 0.0006354000000000 ] - [ -0.0018341400000000, 0.0012787200000000, -0.0004507600000000 ] - [ -0.0004253400000000, -0.0002310900000000, -0.0004129800000000 ] - [ -0.0002291200000000, -0.0000311500000000, -0.0002011300000000 ] - [ -0.0011281500000000, 0.0004190200000000, -0.0009370100000000 ] - [ 0.0010576100000000, 0.0004812500000000, 0.0010314200000000 ] - [ 0.0009408100000000, -0.0008172800000000, 0.0008174100000000 ] - [ -0.0014081600000000, 0.0008261000000000, -0.0006829200000000 ] - [ -0.0001850200000000, -0.0020285700000000, 0.0011047900000000 ] - [ -0.0011468900000000, -0.0003501100000000, -0.0009186300000000 ] - [ -0.0012909400000000, 0.0004171200000000, 0.0005244200000000 ] - [ -0.0028399800000000, -0.0002418800000000, 0.0045815800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014254500000000, 0.0040634800000000, 0.0007007300000000 ] - [ -0.0004260200000000, 0.0003827800000000, -0.0002271500000000 ] - [ 0.0011406000000000, -0.0010883000000000, 0.0007371500000000 ] - [ -0.0005626000000000, -0.0001386000000000, -0.0011709900000000 ] - [ -0.0005954600000000, -0.0014761600000000, -0.0002755400000000 ] - [ -0.0011502500000000, -0.0014491400000000, 0.0001540700000000 ] - [ -0.0007598400000000, -0.0006703900000000, 0.0001809200000000 ] - [ 0.0059990000000000, -0.0021112700000000, -0.0020527400000000 ] - [ -0.0001407800000000, -0.0002140000000000, 0.0002612400000000 ] - [ -0.0022577100000000, -0.0016906400000000, 0.0019828800000000 ] - [ -0.0020110500000000, -0.0122515300000000, -0.0005910800000000 ] - [ -0.0000443000000000, -0.0002657000000000, -0.0001086800000000 ] - [ 0.0031262500000000, -0.0002964900000000, -0.0030693800000000 ] - [ -0.0003007900000000, -0.0004494400000000, -0.0007641800000000 ] - [ -0.0006779100000000, 0.0003963800000000, 0.0000674500000000 ] - [ 0.0044919700000000, -0.0049906200000000, 0.0037789800000000 ] - [ -0.0038872000000000, 0.0015122700000000, 0.0055727400000000 ] - [ 0.0000830600000000, 0.0002382900000000, -0.0001141100000000 ] - [ -0.0002500200000000, 0.0004745400000000, 0.0002130100000000 ] - [ -0.0024652400000000, 0.0063413500000000, -0.0066800600000000 ] - [ -0.0016819400000000, 0.0232065800000000, -0.0230267800000000 ] - [ -0.0003404500000000, 0.0006790200000000, -0.0006382900000000 ] - [ -0.0020230400000000, 0.0000463700000000, -0.0039456400000000 ] - [ -0.0006691300000000, 0.0005158500000000, 0.0002005900000000 ] - [ 0.0009155600000000, 0.0068234800000000, 0.0033558200000000 ] - [ -0.0012995800000000, 0.0009284300000000, -0.0013237700000000 ] - [ -0.0018787200000000, 0.0003399400000000, 0.0002185600000000 ] - [ 0.0045079100000000, 0.0031562800000000, -0.0009852100000000 ] - [ 0.0000734900000000, -0.0047310500000000, -0.0002189800000000 ] - [ -0.0008990200000000, -0.0001007800000000, 0.0002087500000000 ] - [ 0.1131755900000000, 0.2028366300000000, 0.0056895800000000 ] - [ -0.0006639400000000, -0.0000485100000000, 0.0001876700000000 ] - [ 0.0069350100000000, -0.0027062000000000, -0.0015673800000000 ] - [ -0.0011399800000000, -0.0004432400000000, -0.0011583400000000 ] - [ -0.0016397100000000, 0.0009760100000000, -0.0014714200000000 ] - [ -0.0001361900000000, 0.0075621100000000, 0.0015431500000000 ] - [ -0.0020231600000000, -0.0021938000000000, -0.0005766000000000 ] - [ 0.0002171600000000, -0.0018269800000000, 0.0011175100000000 ] - [ -0.0002136000000000, -0.0005040600000000, -0.0007052200000000 ] - [ -0.0005369600000000, -0.0133453200000000, -0.0027615400000000 ] - [ 0.0017433600000000, 0.0003663600000000, -0.0004638100000000 ] - [ 0.0008014600000000, 0.0009589100000000, -0.0008110600000000 ] - [ -0.1502176200000000, -0.3033099800000000, 0.0265656400000000 ] - [ -0.0002001000000000, -0.0005347300000000, 0.0001007600000000 ] - [ 0.0162042100000000, 0.0173371100000000, -0.0169645400000000 ] - [ 0.0003085500000000, 0.0000819100000000, -0.0001135900000000 ] - [ 0.0003189700000000, 0.0006403500000000, 0.0005351900000000 ] - [ -0.0008793600000000, 0.0012531400000000, -0.0013612200000000 ] - [ -0.0003763600000000, -0.0030471700000000, -0.0009234200000000 ] - [ -0.0004048700000000, -0.0005854700000000, 0.0004410800000000 ] - [ -0.0011809000000000, 0.0026322200000000, 0.0010435000000000 ] - [ 0.0004735600000000, -0.0000159000000000, -0.0000006800000000 ] - [ -0.0021819700000000, -0.0009519700000000, -0.0012789700000000 ] - [ 0.0007114400000000, -0.0000830000000000, -0.0000242100000000 ] - [ 0.0007265500000000, 0.0014878000000000, -0.0001945300000000 ] - [ 0.0009288000000000, 0.0003752100000000, -0.0001016300000000 ] - [ 0.0007560200000000, -0.0006882100000000, -0.0003085600000000 ] - [ 0.0005058800000000, -0.0032467600000000, 0.0007745800000000 ] - [ 0.0010487100000000, 0.0005413300000000, 0.0004090200000000 ] - [ -0.0011396700000000, -0.0025178600000000, -0.0000112400000000 ] - [ 0.0003286400000000, 0.0003751800000000, 0.0006218900000000 ] - [ 0.0021424700000000, 0.0157259900000000, 0.0064802700000000 ] - [ 0.0117971800000000, -0.0026464500000000, 0.0036661600000000 ] - [ 0.0006787100000000, -0.0002983600000000, -0.0002864300000000 ] - [ 0.0006520200000000, -0.0003358900000000, 0.0002727900000000 ] - [ -0.0030923000000000, 0.0073718500000000, -0.0013752400000000 ] - [ -0.0004806500000000, -0.0022537100000000, 0.0009025200000000 ] - [ 0.0003311500000000, -0.0001494000000000, -0.0000021600000000 ] - [ 0.0017367000000000, -0.0000254300000000, -0.0005572200000000 ] - [ -0.0046259100000000, -0.0006262700000000, -0.0034513400000000 ] - [ 0.0000039600000000, 0.0001874000000000, 0.0006391100000000 ] - [ 0.0021901500000000, 0.0024254000000000, 0.0018864900000000 ] - [ -0.0035363800000000, 0.0010576300000000, 0.0001767100000000 ] - [ 0.0007582600000000, -0.0004688600000000, 0.0007136300000000 ] - [ 0.0001727800000000, -0.0001661400000000, 0.0000958600000000 ] - [ -0.0022900000000000, -0.0005091400000000, -0.0013923700000000 ] - [ 0.0032003900000000, 0.0024391700000000, 0.0023240600000000 ] - [ 0.0003867200000000, 0.0005322500000000, 0.0002771300000000 ] - [ -0.0011551700000000, 0.0029738800000000, 0.0021890500000000 ] - [ 0.0003942900000000, -0.0000143900000000, -0.0001228200000000 ] - [ -0.0008101300000000, 0.0003125600000000, -0.0065161500000000 ] - [ 0.0008330400000000, 0.0003583200000000, 0.0007945400000000 ] - [ -0.0016501300000000, -0.0008756700000000, -0.0018234900000000 ] - [ 0.0006129500000000, -0.0005439000000000, 0.0003013900000000 ] - [ 0.0000070300000000, 0.0002666100000000, 0.0003739300000000 ] - [ 0.0039874800000000, 0.0102282800000000, 0.0021957300000000 ] - [ 0.0017917300000000, -0.0006740300000000, 0.0017989200000000 ] - [ 0.0006785900000000, -0.0013698600000000, 0.0006092900000000 ] - [ -0.0062009600000000, 0.0073870300000000, 0.0001739800000000 ] - [ -0.0004771500000000, 0.0004520300000000, 0.0004162000000000 ] - [ 0.0101928300000000, 0.0374047800000000, 0.0119717400000000 ] - [ 0.0000932200000000, 0.0002030300000000, -0.0006032300000000 ] - [ 0.0022275700000000, -0.0000208500000000, 0.0008015300000000 ] - [ -0.0007156900000000, -0.0003564000000000, 0.0003332200000000 ] - [ -0.0002079300000000, 0.0014754000000000, 0.0003100300000000 ] - [ -0.0002296800000000, 0.0013315300000000, 0.0005496900000000 ] - [ 0.0001919100000000, -0.0005542500000000, 0.0008759900000000 ] - [ -0.0005193700000000, -0.0024966700000000, 0.0004175300000000 ] - [ -0.0018172300000000, 0.0033622700000000, 0.0000355100000000 ] - [ -0.0001750400000000, 0.0004782300000000, 0.0001223700000000 ] - [ 0.0005527500000000, 0.0030217800000000, -0.0025916200000000 ] - [ 0.0001348100000000, -0.0000029200000000, -0.0006569300000000 ] - [ 0.0007264300000000, -0.0008123000000000, 0.0005485300000000 ] - [ 0.0046677000000000, -0.0023505600000000, -0.0035467800000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023035500000000, -0.0042311400000000, -0.0007458200000000 ] - [ 0.0013220500000000, -0.0005550100000000, 0.0001757500000000 ] - [ -0.0002521000000000, 0.0012798700000000, -0.0007895000000000 ] - [ 0.0014500000000000, 0.0003249600000000, 0.0011193100000000 ] - [ -0.0002887900000000, 0.0012972800000000, 0.0003227000000000 ] - [ 0.0002559600000000, 0.0012629500000000, -0.0001089500000000 ] - [ 0.0004520000000000, -0.0004174200000000, 0.0007106100000000 ] - [ -0.0063680900000000, 0.0010209200000000, 0.0029582300000000 ] - [ -0.0004268600000000, 0.0002882900000000, -0.0001620000000000 ] - [ 0.0016842100000000, 0.0017726700000000, -0.0018817800000000 ] - [ 0.0026114400000000, 0.0122528900000000, 0.0005001200000000 ] - [ 0.0006150300000000, 0.0001937000000000, 0.0000115900000000 ] - [ -0.0028216500000000, -0.0007741400000000, 0.0021769400000000 ] - [ 0.0006123500000000, -0.0006351000000000, -0.0001270600000000 ] - [ 0.0003694800000000, 0.0006896200000000, 0.0008260500000000 ] - [ -0.0048358700000000, 0.0060787200000000, -0.0029090800000000 ] - [ 0.0044822900000000, -0.0014584500000000, -0.0057004500000000 ] - [ 0.0004902700000000, -0.0001698700000000, 0.0000191100000000 ] - [ -0.0003208300000000, -0.0005460500000000, -0.0001181300000000 ] - [ 0.0019661000000000, -0.0063525900000000, 0.0068037400000000 ] - [ 0.0021411400000000, -0.0207772400000000, 0.0203803100000000 ] - [ 0.0006534000000000, 0.0004065900000000, -0.0002513600000000 ] - [ 0.0011412300000000, 0.0001103800000000, 0.0039799200000000 ] - [ -0.0002215100000000, -0.0003421100000000, -0.0001535900000000 ] - [ -0.0007643400000000, -0.0068975800000000, -0.0046537600000000 ] - [ 0.0014551300000000, -0.0009603900000000, 0.0000632000000000 ] - [ 0.0017363900000000, -0.0003151500000000, 0.0010512300000000 ] - [ -0.0046071800000000, -0.0031552000000000, 0.0022189100000000 ] - [ -0.0000803300000000, 0.0053085500000000, 0.0014636900000000 ] - [ 0.0008968900000000, 0.0006544900000000, 0.0010180300000000 ] - [ -0.1219361200000000, -0.2133192000000000, -0.0052100600000000 ] - [ 0.0006642300000000, -0.0005080800000000, 0.0010364500000000 ] - [ -0.0067686200000000, 0.0027601000000000, 0.0002911100000000 ] - [ 0.0012915000000000, 0.0004822000000000, -0.0001086400000000 ] - [ 0.0016410600000000, -0.0004207400000000, 0.0002443200000000 ] - [ 0.0001325100000000, -0.0070402000000000, -0.0027634600000000 ] - [ 0.0018854500000000, 0.0021683500000000, 0.0018507200000000 ] - [ -0.0003735500000000, 0.0017933300000000, 0.0001506300000000 ] - [ 0.0002198000000000, -0.0000475100000000, -0.0005183800000000 ] - [ 0.0005301300000000, 0.0128255700000000, 0.0015254900000000 ] - [ 0.0002086500000000, -0.0009195100000000, -0.0003809100000000 ] - [ 0.0011655300000000, -0.0015102600000000, -0.0000348000000000 ] - [ 0.1583054900000000, 0.3113618800000000, -0.0243986000000000 ] - [ -0.0008038200000000, -0.0004540500000000, -0.0003044800000000 ] - [ -0.0163605500000000, -0.0171110000000000, 0.0166293800000000 ] - [ -0.0000973200000000, 0.0003190900000000, -0.0005539300000000 ] - [ -0.0010331600000000, 0.0001677200000000, -0.0011532900000000 ] - [ 0.0001767500000000, -0.0004405700000000, 0.0007494900000000 ] - [ -0.0015882700000000, 0.0025121700000000, 0.0017770400000000 ] - [ -0.0015591400000000, 0.0000345900000000, 0.0004039300000000 ] - [ 0.0014659000000000, -0.0032717200000000, -0.0011196300000000 ] - [ -0.0001809200000000, -0.0006228200000000, -0.0000804300000000 ] - [ 0.0012697900000000, 0.0004553300000000, 0.0003508300000000 ] - [ -0.0016193700000000, -0.0004078400000000, -0.0009025800000000 ] - [ -0.0004906700000000, -0.0013370200000000, -0.0008970600000000 ] - [ -0.0006957900000000, -0.0002174500000000, -0.0009922800000000 ] - [ -0.0010485600000000, 0.0000565400000000, 0.0003876500000000 ] - [ -0.0008245800000000, 0.0026154300000000, -0.0006911300000000 ] - [ -0.0000494100000000, 0.0004455500000000, -0.0002073800000000 ] - [ 0.0021505800000000, 0.0035235300000000, 0.0002135300000000 ] - [ 0.0001200500000000, 0.0002058600000000, 0.0006414100000000 ] - [ -0.0016732400000000, -0.0150422800000000, -0.0050875400000000 ] - [ -0.0115581400000000, 0.0026488600000000, -0.0046988500000000 ] - [ -0.0004383100000000, 0.0001397800000000, -0.0008011500000000 ] - [ 0.0003477100000000, -0.0006524800000000, -0.0000705800000000 ] - [ 0.0041074300000000, -0.0083795500000000, 0.0015988800000000 ] - [ 0.0007716200000000, 0.0029113200000000, -0.0009821100000000 ] - [ -0.0000388900000000, 0.0007851300000000, -0.0000803400000000 ] - [ 0.0002169100000000, 0.0005803400000000, -0.0002851100000000 ] - [ 0.0065717900000000, 0.0012708100000000, 0.0026349100000000 ] - [ -0.0002408000000000, -0.0003470200000000, 0.0004536800000000 ] - [ -0.0024023300000000, -0.0025831800000000, -0.0007853500000000 ] - [ 0.0042315700000000, -0.0018708500000000, 0.0004473900000000 ] - [ -0.0000501800000000, -0.0003404600000000, -0.0001021300000000 ] - [ -0.0008840400000000, -0.0006399300000000, -0.0007108700000000 ] - [ 0.0015896600000000, -0.0002824500000000, 0.0008060900000000 ] - [ -0.0023265300000000, -0.0019448400000000, -0.0014169300000000 ] - [ 0.0005186600000000, -0.0000423300000000, 0.0006463800000000 ] - [ 0.0013858900000000, -0.0033974700000000, -0.0028905600000000 ] - [ -0.0001825100000000, -0.0003843300000000, -0.0005409900000000 ] - [ 0.0015450800000000, 0.0005103800000000, 0.0071816000000000 ] - [ -0.0001251900000000, 0.0004442800000000, -0.0001891700000000 ] - [ 0.0007508000000000, 0.0013694500000000, 0.0009092000000000 ] - [ -0.0015193500000000, 0.0010264300000000, -0.0012263000000000 ] - [ -0.0002199000000000, 0.0001319700000000, 0.0002884500000000 ] - [ -0.0041483300000000, -0.0097521300000000, -0.0015191800000000 ] - [ -0.0020230200000000, 0.0008306800000000, -0.0007072000000000 ] - [ -0.0009132000000000, 0.0015330600000000, 0.0004809400000000 ] - [ 0.0041985800000000, -0.0067950600000000, 0.0006658500000000 ] - [ -0.0014884700000000, 0.0000994400000000, 0.0004313800000000 ] - [ -0.0108662900000000, -0.0377094000000000, -0.0136234000000000 ] - [ -0.0005476500000000, 0.0003855700000000, -0.0006569400000000 ] - [ -0.0013356900000000, -0.0004665800000000, 0.0001177800000000 ] - [ 0.0016107500000000, -0.0001265100000000, 0.0005948500000000 ] - [ -0.0000849400000000, -0.0008381300000000, -0.0002303700000000 ] - [ -0.0000625700000000, -0.0007035100000000, -0.0004683900000000 ] - [ -0.0004065700000000, 0.0001528700000000, -0.0002048000000000 ] - [ 0.0003202300000000, 0.0021040100000000, 0.0002184500000000 ] - [ 0.0008222200000000, -0.0023938700000000, -0.0002414200000000 ] - [ -0.0008267800000000, 0.0005073900000000, -0.0003258500000000 ] - [ -0.0009998600000000, -0.0036167800000000, 0.0013300500000000 ] - [ -0.0005826100000000, -0.0005747700000000, -0.0006108200000000 ] - [ -0.0002788200000000, 0.0002315400000000, 0.0007164800000000 ] - [ -0.0042136100000000, 0.0017668900000000, 0.0048010800000000 ]- atom: 43 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0007906600000000, 0.0000688500000000, 0.0006320100000000 ] - [ 0.0009914000000000, -0.0003072500000000, 0.0002435200000000 ] - [ -0.0001578200000000, 0.0013132500000000, -0.0011208500000000 ] - [ 0.0001486100000000, -0.0002102800000000, -0.0002380200000000 ] - [ -0.0000401500000000, 0.0005098100000000, 0.0000429400000000 ] - [ -0.0006608100000000, 0.0002253500000000, 0.0002772000000000 ] - [ -0.0003038000000000, -0.0004813400000000, 0.0004874200000000 ] - [ 0.0016491100000000, -0.0019286000000000, -0.0001637200000000 ] - [ -0.0004610800000000, -0.0000419900000000, 0.0000580300000000 ] - [ 0.0009304700000000, 0.0016130500000000, -0.0004549700000000 ] - [ -0.0002714600000000, -0.0012840700000000, 0.0001160000000000 ] - [ 0.0001215600000000, 0.0000464200000000, -0.0001890900000000 ] - [ 0.0019951800000000, -0.0018981500000000, -0.0026295700000000 ] - [ -0.0000960100000000, -0.0005993200000000, -0.0003893900000000 ] - [ -0.0003497100000000, 0.0006058100000000, 0.0003084300000000 ] - [ -0.0033126400000000, 0.0053076800000000, -0.0016047400000000 ] - [ 0.0047918900000000, -0.0008211300000000, -0.0054952400000000 ] - [ -0.0001421800000000, -0.0000151300000000, -0.0002208200000000 ] - [ -0.0008584900000000, -0.0003004100000000, -0.0003593500000000 ] - [ -0.0030845500000000, -0.0022581700000000, 0.0046785800000000 ] - [ 0.0007086100000000, -0.0168332500000000, 0.0246347900000000 ] - [ 0.0000160600000000, 0.0004878300000000, -0.0006379900000000 ] - [ -0.0011682400000000, 0.0001625800000000, 0.0007448300000000 ] - [ -0.0002820900000000, -0.0002039900000000, -0.0005129500000000 ] - [ 0.0008333000000000, -0.0047478000000000, -0.0067259700000000 ] - [ -0.0007751000000000, -0.0000049200000000, -0.0010470600000000 ] - [ 0.0008892600000000, -0.0007301800000000, 0.0010823800000000 ] - [ -0.0051437900000000, -0.0014048200000000, 0.0068876000000000 ] - [ 0.0018266000000000, 0.0022156000000000, -0.0015370300000000 ] - [ -0.0003751600000000, 0.0003385400000000, 0.0004100500000000 ] - [ -0.0462085800000000, -0.0452140600000000, 0.0511024100000000 ] - [ -0.0000724800000000, -0.0004015400000000, 0.0005979900000000 ] - [ -0.0021536000000000, -0.0016173100000000, 0.0033370300000000 ] - [ 0.0004656400000000, 0.0004407600000000, -0.0003638400000000 ] - [ -0.0003756400000000, 0.0002241000000000, -0.0005675400000000 ] - [ 0.0040471600000000, -0.0028347600000000, -0.0075968600000000 ] - [ -0.0006590800000000, 0.0001354400000000, 0.0005947000000000 ] - [ 0.0002444600000000, 0.0007930100000000, -0.0007014400000000 ] - [ -0.0001166800000000, -0.0001377000000000, -0.0008737800000000 ] - [ -0.0036864800000000, -0.0014151400000000, 0.0076234000000000 ] - [ 0.0013445700000000, -0.0002929000000000, -0.0005497400000000 ] - [ 0.0003916400000000, -0.0006123600000000, 0.0000706500000000 ] - [ 0.0520670200000000, 0.0826096400000000, -0.0867307800000000 ] - [ -0.0004376900000000, -0.0004343600000000, -0.0000341400000000 ] - [ -0.0146807700000000, -0.0286796000000000, 0.0107564300000000 ] - [ 0.0002371000000000, 0.0002114300000000, -0.0003686100000000 ] - [ -0.0001209500000000, 0.0002785300000000, -0.0000028600000000 ] - [ -0.0001552500000000, -0.0002281100000000, 0.0009560300000000 ] - [ -0.0031434000000000, 0.0011468000000000, 0.0025569300000000 ] - [ -0.0006004200000000, -0.0002509300000000, 0.0003654600000000 ] - [ 0.0008011900000000, -0.0004312100000000, -0.0011003700000000 ] - [ 0.0002029500000000, -0.0005579700000000, -0.0001616800000000 ] - [ -0.0003326300000000, -0.0000074100000000, -0.0011759400000000 ] - [ -0.0010911300000000, -0.0004132600000000, -0.0007790900000000 ] - [ -0.0007236600000000, -0.0007706200000000, -0.0001306600000000 ] - [ 0.0003657800000000, 0.0000974100000000, -0.0004219900000000 ] - [ -0.0002136400000000, -0.0000649800000000, -0.0000294400000000 ] - [ -0.0004870300000000, 0.0009990300000000, -0.0020939700000000 ] - [ 0.0006599300000000, 0.0005701300000000, 0.0001342800000000 ] - [ -0.0003784100000000, 0.0010349500000000, 0.0021205400000000 ] - [ 0.0003585000000000, 0.0001633300000000, 0.0007531600000000 ] - [ 0.0024921800000000, 0.0099269500000000, -0.0001829900000000 ] - [ 0.0048953300000000, -0.0001413900000000, -0.0107993700000000 ] - [ 0.0000919800000000, 0.0000020600000000, -0.0005159200000000 ] - [ 0.0005993600000000, -0.0006005800000000, 0.0001834400000000 ] - [ 0.0007290800000000, -0.0005396200000000, -0.0029774800000000 ] - [ 0.0002634300000000, 0.0012816000000000, 0.0008112500000000 ] - [ 0.0003336300000000, 0.0003532700000000, 0.0001773200000000 ] - [ 0.0006976600000000, 0.0006046100000000, -0.0002474500000000 ] - [ 0.0089087500000000, -0.0056038600000000, -0.0009595100000000 ] - [ -0.0000732200000000, -0.0002346100000000, 0.0007442400000000 ] - [ 0.0006112100000000, 0.0002908700000000, -0.0006066500000000 ] - [ -0.0012829400000000, 0.0018881300000000, -0.0010270900000000 ] - [ 0.0002869600000000, -0.0004056100000000, 0.0001183500000000 ] - [ -0.0005322100000000, -0.0004025800000000, -0.0005734600000000 ] - [ -0.0003260200000000, -0.0005918500000000, -0.0021668300000000 ] - [ 0.0013012100000000, -0.0000292200000000, 0.0008391600000000 ] - [ 0.0006344100000000, 0.0001596800000000, 0.0008666500000000 ] - [ -0.0007948300000000, -0.0001015400000000, 0.0015226300000000 ] - [ 0.0002199200000000, -0.0001929800000000, -0.0002565800000000 ] - [ 0.0021435900000000, -0.0005257300000000, 0.0082186300000000 ] - [ 0.0005815900000000, 0.0005002100000000, 0.0006734900000000 ] - [ 0.0008057300000000, 0.0009418800000000, 0.0013662000000000 ] - [ 0.0000199300000000, 0.0003511900000000, -0.0002900500000000 ] - [ -0.0000604200000000, 0.0002286800000000, 0.0004461800000000 ] - [ -0.0009820400000000, -0.0042289000000000, -0.0030605500000000 ] - [ -0.0001257400000000, 0.0001677400000000, 0.0004423200000000 ] - [ -0.0012751000000000, 0.0008326300000000, 0.0012275800000000 ] - [ 0.0010034900000000, -0.0018562000000000, -0.0005744900000000 ] - [ -0.0010678100000000, 0.0001759600000000, 0.0004750500000000 ] - [ 0.0060557500000000, 0.0180821600000000, -0.0043808300000000 ] - [ -0.0001990300000000, 0.0003324400000000, -0.0005841900000000 ] - [ -0.0010275800000000, -0.0002228000000000, 0.0001928300000000 ] - [ 0.0019572000000000, -0.0003478300000000, -0.0000152400000000 ] - [ 0.0002077400000000, 0.0000450300000000, -0.0000097700000000 ] - [ -0.0002912900000000, 0.0001401900000000, 0.0004101000000000 ] - [ 0.0001116500000000, -0.0001697500000000, 0.0002863600000000 ] - [ -0.0019073700000000, -0.0001120300000000, 0.0062814900000000 ] - [ -0.0007799500000000, -0.0001372500000000, 0.0009973800000000 ] - [ -0.0003218000000000, 0.0004235600000000, -0.0000434000000000 ] - [ -0.0018342500000000, -0.0030123400000000, 0.0020894800000000 ] - [ -0.0000299600000000, -0.0003494900000000, -0.0005760200000000 ] - [ 0.0003304000000000, -0.0002913700000000, 0.0006144900000000 ] - [ -0.0061287100000000, 0.0002043500000000, 0.0062999400000000 ]- atom: 43 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0000645900000000, -0.0002118700000000, -0.0006713300000000 ] - [ -0.0001113300000000, 0.0001271800000000, -0.0003000300000000 ] - [ 0.0010570000000000, -0.0011415200000000, 0.0010752200000000 ] - [ 0.0007365000000000, 0.0003932300000000, 0.0001854500000000 ] - [ -0.0008490400000000, -0.0006944000000000, 0.0000098700000000 ] - [ -0.0002318100000000, -0.0004091700000000, -0.0002296300000000 ] - [ -0.0000117500000000, -0.0006060800000000, 0.0004039700000000 ] - [ -0.0019240200000000, 0.0008550700000000, 0.0010382900000000 ] - [ -0.0001121100000000, 0.0001150100000000, 0.0000357900000000 ] - [ -0.0015062900000000, -0.0015580300000000, 0.0005487300000000 ] - [ 0.0008343800000000, 0.0011484400000000, -0.0002084600000000 ] - [ 0.0004441000000000, -0.0001202200000000, 0.0000931600000000 ] - [ -0.0016707900000000, 0.0007914900000000, 0.0017388600000000 ] - [ 0.0004012100000000, -0.0004872600000000, -0.0005073600000000 ] - [ 0.0000360700000000, 0.0004815300000000, 0.0005796300000000 ] - [ 0.0029969000000000, -0.0042177300000000, 0.0025044300000000 ] - [ -0.0042104700000000, 0.0008975900000000, 0.0054073400000000 ] - [ 0.0007071800000000, 0.0000862700000000, 0.0001229700000000 ] - [ 0.0002906600000000, 0.0002324400000000, 0.0004545000000000 ] - [ 0.0027064300000000, 0.0022364200000000, -0.0043094800000000 ] - [ -0.0004911000000000, 0.0192324700000000, -0.0263427400000000 ] - [ 0.0002881100000000, 0.0005986800000000, -0.0002552800000000 ] - [ 0.0002761600000000, 0.0000136700000000, -0.0007497900000000 ] - [ -0.0006159200000000, 0.0003878000000000, 0.0005611200000000 ] - [ -0.0006642300000000, 0.0047493200000000, 0.0054879600000000 ] - [ 0.0009174800000000, -0.0000304300000000, -0.0002177600000000 ] - [ -0.0010409100000000, 0.0007560400000000, 0.0001895500000000 ] - [ 0.0050019500000000, 0.0014461300000000, -0.0056293400000000 ] - [ -0.0018216900000000, -0.0016764300000000, 0.0027429800000000 ] - [ 0.0003635600000000, 0.0002141300000000, 0.0008101700000000 ] - [ 0.0468451200000000, 0.0452360100000000, -0.0503477800000000 ] - [ 0.0000594300000000, -0.0001524700000000, 0.0006182700000000 ] - [ 0.0023195300000000, 0.0016468900000000, -0.0045981100000000 ] - [ -0.0003271400000000, -0.0004080000000000, -0.0009058500000000 ] - [ 0.0003615900000000, 0.0003357700000000, -0.0006693100000000 ] - [ -0.0040619700000000, 0.0034293600000000, 0.0063833000000000 ] - [ 0.0004931300000000, -0.0001863500000000, 0.0006550000000000 ] - [ -0.0003932200000000, -0.0008282700000000, 0.0019643400000000 ] - [ 0.0001183500000000, -0.0004166500000000, -0.0003481200000000 ] - [ 0.0036976300000000, 0.0008237900000000, -0.0088669200000000 ] - [ 0.0006169400000000, -0.0002507900000000, -0.0002902100000000 ] - [ 0.0015626400000000, 0.0000678400000000, -0.0009111400000000 ] - [ -0.0538025500000000, -0.0853820800000000, 0.0873769400000000 ] - [ -0.0005636900000000, -0.0005686300000000, -0.0001625400000000 ] - [ 0.0146553600000000, 0.0286005100000000, -0.0112350300000000 ] - [ -0.0000240500000000, 0.0001875900000000, -0.0003050700000000 ] - [ -0.0005772400000000, 0.0005148400000000, -0.0005901700000000 ] - [ -0.0005469400000000, 0.0010219300000000, -0.0015601100000000 ] - [ 0.0011823400000000, -0.0017030900000000, -0.0017228300000000 ] - [ -0.0013508400000000, -0.0002962700000000, 0.0004750200000000 ] - [ -0.0004926000000000, -0.0002076800000000, 0.0010117100000000 ] - [ 0.0001092400000000, -0.0000880700000000, 0.0000763100000000 ] - [ -0.0005659900000000, -0.0004687300000000, 0.0002519100000000 ] - [ 0.0002066300000000, -0.0000523200000000, -0.0001351200000000 ] - [ 0.0009728500000000, 0.0009422500000000, -0.0009475800000000 ] - [ -0.0001144500000000, 0.0000695500000000, -0.0006591500000000 ] - [ -0.0000866800000000, -0.0005792900000000, 0.0001061900000000 ] - [ 0.0001810400000000, -0.0016492200000000, 0.0021902300000000 ] - [ 0.0003498500000000, 0.0004348900000000, 0.0000643900000000 ] - [ 0.0013794000000000, -0.0000510300000000, -0.0019279300000000 ] - [ 0.0000952800000000, 0.0004297000000000, 0.0005062500000000 ] - [ -0.0020250200000000, -0.0092665300000000, 0.0014502100000000 ] - [ -0.0045015400000000, 0.0000761200000000, 0.0097634600000000 ] - [ 0.0001673500000000, -0.0001710700000000, -0.0005602600000000 ] - [ 0.0004064400000000, -0.0004034600000000, 0.0000151700000000 ] - [ 0.0002628300000000, -0.0004445300000000, 0.0031601000000000 ] - [ 0.0000323100000000, -0.0006479900000000, -0.0008905000000000 ] - [ -0.0000188900000000, 0.0002936700000000, -0.0002645600000000 ] - [ 0.0012578400000000, -0.0000576600000000, -0.0005933200000000 ] - [ -0.0069255200000000, 0.0061120400000000, 0.0001009100000000 ] - [ -0.0001728300000000, 0.0000694300000000, 0.0003384500000000 ] - [ -0.0008525700000000, -0.0004513900000000, 0.0016938400000000 ] - [ 0.0019668600000000, -0.0026706500000000, 0.0016132200000000 ] - [ 0.0004199900000000, -0.0003883400000000, 0.0004867900000000 ] - [ -0.0001679000000000, -0.0003883200000000, -0.0000303300000000 ] - [ -0.0003845200000000, -0.0002060900000000, 0.0015598800000000 ] - [ -0.0003893300000000, 0.0005173200000000, 0.0000948500000000 ] - [ 0.0002589600000000, 0.0003091600000000, 0.0000511200000000 ] - [ 0.0009898200000000, -0.0002846900000000, -0.0021732200000000 ] - [ -0.0000066400000000, -0.0002062500000000, -0.0004173300000000 ] - [ -0.0014804000000000, 0.0013423700000000, -0.0077022800000000 ] - [ 0.0001246900000000, 0.0002910300000000, -0.0000723900000000 ] - [ -0.0017160700000000, -0.0004797600000000, -0.0022987000000000 ] - [ -0.0009184100000000, 0.0001138200000000, -0.0006321700000000 ] - [ -0.0001482600000000, 0.0001704300000000, 0.0002260400000000 ] - [ 0.0007823200000000, 0.0046756100000000, 0.0037468500000000 ] - [ -0.0000989100000000, -0.0000092200000000, 0.0006551500000000 ] - [ 0.0010440800000000, -0.0006770400000000, -0.0001385000000000 ] - [ -0.0029727600000000, 0.0024243300000000, 0.0014109400000000 ] - [ -0.0008837300000000, 0.0003713900000000, 0.0003652100000000 ] - [ -0.0064621900000000, -0.0173896800000000, 0.0032058700000000 ] - [ -0.0002531800000000, 0.0002616200000000, -0.0006743600000000 ] - [ 0.0019159200000000, -0.0002451100000000, 0.0007188600000000 ] - [ -0.0010606900000000, -0.0001234200000000, 0.0009350700000000 ] - [ -0.0005181400000000, 0.0006143500000000, 0.0001009100000000 ] - [ -0.0000176400000000, 0.0005047800000000, -0.0003238100000000 ] - [ -0.0003209000000000, -0.0002352000000000, 0.0003997100000000 ] - [ 0.0016879600000000, -0.0002939000000000, -0.0055730300000000 ] - [ -0.0002327100000000, 0.0011538300000000, -0.0011942200000000 ] - [ -0.0006791000000000, 0.0005787700000000, -0.0001515900000000 ] - [ 0.0013762200000000, 0.0024181500000000, -0.0033451600000000 ] - [ -0.0004177200000000, -0.0002386500000000, -0.0006868700000000 ] - [ 0.0001268900000000, -0.0003025100000000, 0.0006472800000000 ] - [ 0.0066452100000000, -0.0007784700000000, -0.0050829500000000 ]- atom: 45 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ -0.0019176200000000, 0.0027156900000000, -0.0006109500000000 ] - [ -0.0009812000000000, -0.0005422800000000, 0.0006471100000000 ] - [ 0.0003534500000000, 0.0004725800000000, 0.0002295600000000 ] - [ -0.0001321700000000, -0.0000670600000000, -0.0005957100000000 ] - [ -0.0011025100000000, -0.0030778100000000, -0.0001243000000000 ] - [ -0.0014790300000000, 0.0010022300000000, -0.0003061900000000 ] - [ -0.0014251900000000, -0.0008400200000000, -0.0006078500000000 ] - [ -0.0017781800000000, 0.0001421000000000, 0.0034782400000000 ] - [ -0.0009936600000000, 0.0001425800000000, -0.0004004300000000 ] - [ -0.0001206000000000, 0.0000158600000000, 0.0010878000000000 ] - [ 0.0036396300000000, 0.0027757400000000, 0.0011635200000000 ] - [ -0.0008212200000000, -0.0001256400000000, -0.0005433100000000 ] - [ 0.0036358900000000, 0.0005239800000000, -0.0003130800000000 ] - [ -0.0010707400000000, -0.0004958800000000, -0.0008577800000000 ] - [ -0.0015974700000000, 0.0001952800000000, 0.0002934200000000 ] - [ 0.0227105400000000, -0.0178445500000000, 0.0090257700000000 ] - [ 0.0152114100000000, -0.0028968900000000, -0.0061191400000000 ] - [ -0.0015999100000000, -0.0001509600000000, -0.0009969200000000 ] - [ -0.0015440400000000, 0.0005603900000000, -0.0002033200000000 ] - [ -0.0008489600000000, -0.0043351300000000, -0.0024883900000000 ] - [ 0.0017004600000000, -0.0027133800000000, 0.0039352800000000 ] - [ -0.0009795900000000, 0.0006520200000000, -0.0010082600000000 ] - [ -0.0007371300000000, -0.0023360700000000, -0.0022702500000000 ] - [ -0.0008919400000000, -0.0001032200000000, -0.0007728000000000 ] - [ -0.0035805500000000, 0.0016376500000000, 0.0028989300000000 ] - [ -0.0018452400000000, -0.0003821800000000, -0.0016832700000000 ] - [ -0.0057862200000000, 0.0022453000000000, -0.0026396700000000 ] - [ -0.0080750900000000, 0.0020624900000000, 0.0064801700000000 ] - [ -0.0010875100000000, -0.0014653200000000, 0.0052247400000000 ] - [ -0.0015701800000000, 0.0002779900000000, -0.0004590300000000 ] - [ 0.0657132500000000, 0.0098240400000000, -0.0487523100000000 ] - [ -0.0020057200000000, -0.0002626300000000, -0.0001694800000000 ] - [ 0.0028119300000000, 0.0001325300000000, -0.0019447300000000 ] - [ -0.0011956800000000, 0.0002448300000000, -0.0008289400000000 ] - [ -0.0023267700000000, 0.0006523800000000, -0.0018377200000000 ] - [ 0.0021098200000000, 0.0021274000000000, -0.0002609200000000 ] - [ -0.0003482900000000, -0.0001246800000000, 0.0007122200000000 ] - [ -0.0001696200000000, 0.0007927400000000, -0.0006404400000000 ] - [ -0.0013762600000000, -0.0003546700000000, -0.0013447300000000 ] - [ -0.0012543600000000, 0.0013194000000000, -0.0010060700000000 ] - [ 0.0012324100000000, -0.0001043500000000, -0.0002422400000000 ] - [ 0.0006304300000000, -0.0007144700000000, -0.0005204100000000 ] - [ -0.0011624800000000, 0.0158885400000000, -0.0163802500000000 ] - [ 0.0004272800000000, -0.0002931900000000, 0.0004364800000000 ] - [ -0.1214416400000000, 0.0054625800000000, 0.0680404100000000 ] - [ 0.0010593200000000, 0.0000842300000000, -0.0001378500000000 ] - [ -0.0000424000000000, 0.0006852200000000, -0.0004159400000000 ] - [ -0.0007752900000000, -0.0009707500000000, 0.0006317700000000 ] - [ 0.0029462200000000, -0.0056572900000000, -0.0042037100000000 ] - [ 0.0001023100000000, -0.0001252900000000, 0.0005671800000000 ] - [ -0.0008221100000000, 0.0006517700000000, 0.0007421500000000 ] - [ 0.0007912600000000, -0.0006839600000000, -0.0001577800000000 ] - [ -0.0007753700000000, -0.0008551800000000, -0.0003667500000000 ] - [ 0.0002128900000000, -0.0000205400000000, -0.0002776000000000 ] - [ -0.0004055100000000, 0.0004306100000000, -0.0017561700000000 ] - [ 0.0012612900000000, 0.0001493200000000, 0.0002051400000000 ] - [ 0.0010334100000000, -0.0009987300000000, 0.0004110700000000 ] - [ 0.0023688100000000, 0.0014109500000000, -0.0019827400000000 ] - [ 0.0015173900000000, 0.0007962600000000, 0.0007700100000000 ] - [ -0.0006732600000000, 0.0000750500000000, -0.0023543400000000 ] - [ 0.0008727100000000, 0.0003008200000000, 0.0007402000000000 ] - [ -0.0003746400000000, 0.0001723300000000, 0.0013033300000000 ] - [ -0.0005232200000000, -0.0080559100000000, 0.0236708000000000 ] - [ 0.0014634600000000, -0.0002763500000000, -0.0000699300000000 ] - [ 0.0011867400000000, -0.0006092900000000, 0.0004422400000000 ] - [ 0.0015480000000000, -0.0045789900000000, -0.0004137100000000 ] - [ 0.0003290100000000, 0.0002969500000000, -0.0005660000000000 ] - [ 0.0008018800000000, 0.0005584500000000, 0.0003985400000000 ] - [ 0.0034900600000000, -0.0003491100000000, -0.0006048100000000 ] - [ 0.0203443000000000, 0.0031958800000000, -0.0015309200000000 ] - [ 0.0007499100000000, 0.0003307800000000, 0.0008758100000000 ] - [ 0.0004440800000000, -0.0004282600000000, 0.0008555600000000 ] - [ -0.0007021700000000, -0.0011766900000000, 0.0005682400000000 ] - [ 0.0009520900000000, -0.0004343700000000, 0.0006997500000000 ] - [ 0.0011519600000000, 0.0001246000000000, 0.0017619400000000 ] - [ 0.0008983800000000, -0.0014012000000000, -0.0017209100000000 ] - [ -0.0005661200000000, 0.0009278900000000, 0.0001544800000000 ] - [ 0.0011545700000000, 0.0001760100000000, 0.0010619600000000 ] - [ 0.0005954600000000, -0.0014358000000000, -0.0037055200000000 ] - [ 0.0006563900000000, 0.0000275700000000, 0.0001707100000000 ] - [ 0.0001536700000000, -0.0007074700000000, -0.0028962800000000 ] - [ 0.0010567100000000, 0.0006526500000000, 0.0011807500000000 ] - [ 0.0003928400000000, -0.0004670100000000, -0.0007904300000000 ] - [ 0.0007678800000000, 0.0006507100000000, 0.0005107200000000 ] - [ 0.0003931300000000, 0.0003067900000000, 0.0006703900000000 ] - [ 0.0003858000000000, 0.0003666200000000, -0.0004304600000000 ] - [ 0.0021387400000000, -0.0003536500000000, 0.0018760200000000 ] - [ -0.0006461200000000, -0.0000518700000000, 0.0001613000000000 ] - [ -0.0031196200000000, 0.0004878100000000, 0.0006923800000000 ] - [ -0.0001523600000000, 0.0002230900000000, 0.0003982100000000 ] - [ -0.0022696100000000, -0.0037973500000000, -0.0217517700000000 ] - [ 0.0006905200000000, 0.0001800000000000, -0.0005143900000000 ] - [ 0.0092994200000000, 0.0012644600000000, 0.0019560300000000 ] - [ 0.0039731500000000, -0.0016645800000000, 0.0009086400000000 ] - [ -0.0000241200000000, 0.0003272200000000, 0.0000046900000000 ] - [ -0.0000994300000000, 0.0000068000000000, 0.0002954200000000 ] - [ 0.0006956800000000, -0.0005523900000000, 0.0008316100000000 ] - [ -0.0019479000000000, 0.0006381100000000, 0.0015516600000000 ] - [ -0.0013783400000000, 0.0017704300000000, -0.0014482700000000 ] - [ 0.0002078900000000, 0.0002080700000000, 0.0003249600000000 ] - [ -0.0015097600000000, 0.0070332300000000, -0.0062758500000000 ] - [ 0.0005550300000000, -0.0003112700000000, -0.0003747100000000 ] - [ 0.0011052500000000, -0.0007252100000000, 0.0007329800000000 ] - [ 0.0001299600000000, -0.0004581000000000, -0.0001046100000000 ]- atom: 45 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.0027804500000000, -0.0028797700000000, 0.0005806500000000 ] - [ 0.0018715300000000, 0.0003626700000000, -0.0006899900000000 ] - [ 0.0005382500000000, -0.0002931600000000, -0.0002801000000000 ] - [ 0.0010259000000000, 0.0002449500000000, 0.0005504200000000 ] - [ 0.0002106700000000, 0.0029190500000000, 0.0001701400000000 ] - [ 0.0005885000000000, -0.0011756400000000, 0.0003535800000000 ] - [ 0.0011143100000000, -0.0002435800000000, 0.0015038200000000 ] - [ 0.0015039600000000, -0.0012349100000000, -0.0025984700000000 ] - [ 0.0004202400000000, -0.0000706700000000, 0.0004975600000000 ] - [ -0.0004427100000000, 0.0000556100000000, -0.0009928300000000 ] - [ -0.0030818600000000, -0.0028720100000000, -0.0012634900000000 ] - [ 0.0013909100000000, 0.0000550100000000, 0.0004470700000000 ] - [ -0.0033304300000000, -0.0016153800000000, -0.0005755500000000 ] - [ 0.0013791500000000, -0.0005890700000000, -0.0000355400000000 ] - [ 0.0012871100000000, 0.0008920000000000, 0.0005953000000000 ] - [ -0.0226392600000000, 0.0180654200000000, -0.0076276100000000 ] - [ -0.0152341300000000, 0.0029962800000000, 0.0069681600000000 ] - [ 0.0021640400000000, 0.0002180200000000, 0.0008965500000000 ] - [ 0.0009762900000000, -0.0006331000000000, 0.0002967900000000 ] - [ 0.0002993500000000, 0.0042481800000000, 0.0026035900000000 ] - [ -0.0013943400000000, 0.0038240800000000, -0.0048451500000000 ] - [ 0.0012896500000000, 0.0004302800000000, 0.0001169100000000 ] - [ -0.0001651700000000, 0.0025008800000000, 0.0022865400000000 ] - [ 0.0000005800000000, 0.0002812100000000, 0.0008152900000000 ] - [ 0.0037475900000000, -0.0016636200000000, -0.0041881100000000 ] - [ 0.0019924700000000, 0.0003452300000000, 0.0004152400000000 ] - [ 0.0056641300000000, -0.0022402900000000, 0.0039317300000000 ] - [ 0.0078911600000000, -0.0020118300000000, -0.0051532800000000 ] - [ 0.0010696300000000, 0.0020022900000000, -0.0040166400000000 ] - [ 0.0015604200000000, 0.0002773000000000, 0.0016803600000000 ] - [ -0.0664093200000000, -0.0105919100000000, 0.0506921200000000 ] - [ 0.0019963500000000, -0.0002940700000000, 0.0013892900000000 ] - [ -0.0026632100000000, -0.0000890300000000, 0.0006834200000000 ] - [ 0.0013479100000000, -0.0002071700000000, -0.0004372100000000 ] - [ 0.0023232000000000, -0.0000949700000000, 0.0006060700000000 ] - [ -0.0020970000000000, -0.0015789300000000, -0.0009684000000000 ] - [ 0.0001872800000000, 0.0000850700000000, 0.0005471300000000 ] - [ 0.0000248400000000, -0.0008229900000000, 0.0019079900000000 ] - [ 0.0013839700000000, -0.0001975100000000, 0.0001247000000000 ] - [ 0.0012627800000000, -0.0018723300000000, -0.0002157700000000 ] - [ 0.0007375300000000, -0.0004501300000000, -0.0006067000000000 ] - [ 0.0013329000000000, 0.0001595700000000, -0.0003271200000000 ] - [ 0.0000921900000000, -0.0167325000000000, 0.0160995900000000 ] - [ -0.0014253200000000, -0.0006916200000000, -0.0006367400000000 ] - [ 0.1225115200000000, -0.0040730000000000, -0.0706701500000000 ] - [ -0.0008530000000000, 0.0003192700000000, -0.0005280800000000 ] - [ -0.0006567900000000, 0.0001237600000000, -0.0001813500000000 ] - [ 0.0000731900000000, 0.0017713400000000, -0.0012367600000000 ] - [ -0.0049406700000000, 0.0051514900000000, 0.0050881000000000 ] - [ -0.0020697700000000, -0.0004287800000000, 0.0002833300000000 ] - [ 0.0011188500000000, -0.0012976200000000, -0.0008343200000000 ] - [ -0.0004998100000000, 0.0000410400000000, 0.0000709300000000 ] - [ -0.0001302200000000, 0.0003634900000000, -0.0005606900000000 ] - [ -0.0011219100000000, -0.0004641300000000, -0.0006493800000000 ] - [ 0.0006522600000000, -0.0002752800000000, 0.0006833400000000 ] - [ -0.0010255800000000, 0.0000059900000000, -0.0012928000000000 ] - [ -0.0013227500000000, 0.0003694800000000, -0.0003327500000000 ] - [ -0.0026523500000000, -0.0020320200000000, 0.0020499000000000 ] - [ -0.0005177200000000, 0.0001865300000000, -0.0005692200000000 ] - [ 0.0016597300000000, 0.0009030100000000, 0.0025738800000000 ] - [ -0.0004204200000000, 0.0002804600000000, 0.0005223600000000 ] - [ 0.0008232100000000, 0.0004039000000000, -0.0000426300000000 ] - [ 0.0007868400000000, 0.0079250400000000, -0.0248828900000000 ] - [ -0.0012151600000000, 0.0001174700000000, -0.0010112900000000 ] - [ -0.0001892300000000, -0.0003767300000000, -0.0002426100000000 ] - [ -0.0005451800000000, 0.0035589500000000, 0.0005952500000000 ] - [ -0.0000358700000000, 0.0003387300000000, 0.0004885600000000 ] - [ -0.0005071900000000, 0.0000814300000000, -0.0004825200000000 ] - [ -0.0015397800000000, 0.0009127100000000, -0.0002402500000000 ] - [ -0.0180108000000000, -0.0025876600000000, 0.0007177900000000 ] - [ -0.0009866900000000, -0.0004901800000000, 0.0002132100000000 ] - [ -0.0006818600000000, 0.0002710900000000, 0.0002300400000000 ] - [ 0.0014063700000000, 0.0003638700000000, 0.0000316900000000 ] - [ -0.0002502800000000, -0.0003769200000000, -0.0000960800000000 ] - [ -0.0018613100000000, -0.0009356900000000, -0.0023840000000000 ] - [ -0.0016066000000000, 0.0005820700000000, 0.0010965700000000 ] - [ 0.0014800100000000, -0.0004366200000000, 0.0007752400000000 ] - [ -0.0002536900000000, 0.0003071500000000, -0.0001402700000000 ] - [ -0.0003961400000000, 0.0010428000000000, 0.0030614400000000 ] - [ -0.0004504500000000, -0.0004298200000000, -0.0008321200000000 ] - [ 0.0005449300000000, 0.0015192600000000, 0.0035138400000000 ] - [ -0.0003536300000000, 0.0001549200000000, -0.0005795400000000 ] - [ -0.0013024200000000, 0.0009517000000000, -0.0001308200000000 ] - [ -0.0016708200000000, -0.0001596700000000, -0.0014323900000000 ] - [ -0.0005955800000000, 0.0000960400000000, -0.0000104400000000 ] - [ -0.0005964700000000, 0.0000340000000000, 0.0011018000000000 ] - [ -0.0023627400000000, 0.0005078100000000, -0.0007819400000000 ] - [ 0.0004056800000000, 0.0002106500000000, 0.0009230300000000 ] - [ 0.0011503100000000, 0.0000671300000000, 0.0001569800000000 ] - [ -0.0018208500000000, 0.0003347400000000, 0.0004541200000000 ] - [ 0.0016865300000000, 0.0043044500000000, 0.0203668800000000 ] - [ -0.0011468900000000, 0.0004053100000000, -0.0007450600000000 ] - [ -0.0085195600000000, -0.0017806400000000, -0.0010359700000000 ] - [ -0.0030443800000000, 0.0011628400000000, 0.0000106200000000 ] - [ -0.0002654200000000, 0.0003202600000000, 0.0000848200000000 ] - [ -0.0001954800000000, 0.0006242700000000, -0.0002093500000000 ] - [ -0.0009015600000000, 0.0001445100000000, -0.0001550100000000 ] - [ 0.0017345200000000, -0.0010344200000000, -0.0008814700000000 ] - [ 0.0003804300000000, -0.0007894600000000, 0.0012519800000000 ] - [ -0.0012035700000000, 0.0007746400000000, -0.0005229500000000 ] - [ 0.0010737100000000, -0.0076421300000000, 0.0050316200000000 ] - [ -0.0010011100000000, -0.0002664200000000, -0.0008913600000000 ] - [ -0.0006523000000000, 0.0001464900000000, 0.0005333700000000 ] - [ 0.0003134500000000, -0.0001197700000000, 0.0013744800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039849700000000, -0.0023552200000000, 0.0000013000000000 ] - [ 0.0003004600000000, -0.0001203000000000, -0.0001697200000000 ] - [ -0.0001128300000000, -0.0012433500000000, 0.0004038400000000 ] - [ 0.0007876100000000, -0.0004726300000000, 0.0000503300000000 ] - [ -0.0020090200000000, -0.0005315100000000, -0.0006600300000000 ] - [ 0.0000745200000000, -0.0001353900000000, 0.0001501700000000 ] - [ 0.0001389100000000, -0.0003244900000000, 0.0003407100000000 ] - [ 0.0013349000000000, 0.0001381700000000, 0.0005936200000000 ] - [ 0.0000272100000000, -0.0002924200000000, 0.0001664500000000 ] - [ -0.0004158800000000, -0.0013642700000000, 0.0003549400000000 ] - [ -0.0015214700000000, -0.0018717100000000, -0.0025554800000000 ] - [ 0.0007978200000000, -0.0001141200000000, 0.0002017700000000 ] - [ 0.0000570000000000, -0.0039742000000000, -0.0020185700000000 ] - [ 0.0004662100000000, -0.0007109200000000, -0.0002552200000000 ] - [ 0.0000433000000000, 0.0006224900000000, 0.0006096900000000 ] - [ -0.0141880400000000, 0.0210077400000000, -0.0096014900000000 ] - [ -0.0026918200000000, 0.0046702200000000, 0.0006316800000000 ] - [ 0.0006970400000000, 0.0001818400000000, 0.0002204600000000 ] - [ 0.0001812900000000, 0.0000277600000000, 0.0003755400000000 ] - [ -0.0051901700000000, -0.0008163100000000, -0.0037939200000000 ] - [ -0.0005664800000000, -0.0066684000000000, 0.0034711700000000 ] - [ 0.0005359100000000, 0.0004222400000000, -0.0004494700000000 ] - [ 0.0003427300000000, 0.0028111500000000, 0.0033896600000000 ] - [ -0.0002228000000000, 0.0009759300000000, 0.0005065500000000 ] - [ 0.0017670900000000, 0.0005323500000000, -0.0000381400000000 ] - [ 0.0002347100000000, 0.0003306400000000, -0.0007434100000000 ] - [ -0.0007981500000000, 0.0021948200000000, -0.0006091000000000 ] - [ 0.0013617400000000, 0.0008881200000000, -0.0005684200000000 ] - [ -0.0033836100000000, -0.0074006400000000, 0.0034886200000000 ] - [ 0.0006107000000000, 0.0002298800000000, 0.0008147500000000 ] - [ 0.0078498700000000, 0.0726258500000000, -0.0633734900000000 ] - [ 0.0002998400000000, -0.0000773800000000, 0.0008459000000000 ] - [ 0.0003472100000000, -0.0041321300000000, -0.0003159000000000 ] - [ 0.0002591700000000, -0.0003847200000000, -0.0005478000000000 ] - [ 0.0017411600000000, 0.0000174500000000, 0.0003401700000000 ] - [ 0.0005350300000000, 0.0046303300000000, -0.0028544800000000 ] - [ 0.0000694200000000, 0.0000946200000000, 0.0005776800000000 ] - [ 0.0007687500000000, -0.0017560700000000, 0.0027312700000000 ] - [ -0.0001578400000000, -0.0006262200000000, -0.0006954700000000 ] - [ 0.0031268100000000, -0.0080789500000000, -0.0000625900000000 ] - [ 0.0008795700000000, -0.0002311400000000, -0.0003590400000000 ] - [ 0.0008003700000000, 0.0002330500000000, -0.0009323200000000 ] - [ 0.0165176800000000, 0.0168362000000000, -0.0242229100000000 ] - [ -0.0007008000000000, -0.0006204700000000, -0.0001702400000000 ] - [ 0.0041996400000000, -0.1129925700000000, 0.1082304100000000 ] - [ -0.0000148300000000, 0.0001713800000000, -0.0004262800000000 ] - [ -0.0004162400000000, 0.0001371500000000, -0.0003849600000000 ] - [ -0.0013775500000000, 0.0016775800000000, -0.0013887800000000 ] - [ -0.0028112400000000, 0.0007129300000000, 0.0020595100000000 ] - [ -0.0011877300000000, -0.0003548000000000, 0.0004262400000000 ] - [ 0.0004247700000000, 0.0022111400000000, 0.0008502800000000 ] - [ -0.0000153700000000, -0.0000904300000000, -0.0000588700000000 ] - [ -0.0005380800000000, 0.0010124000000000, -0.0004548400000000 ] - [ -0.0004487100000000, -0.0000035700000000, -0.0004839700000000 ] - [ 0.0027011100000000, 0.0021723400000000, -0.0001916400000000 ] - [ -0.0003358700000000, 0.0000670600000000, -0.0007399000000000 ] - [ -0.0009137100000000, -0.0012201500000000, 0.0006041300000000 ] - [ -0.0003222400000000, -0.0016922600000000, 0.0010610200000000 ] - [ -0.0001165900000000, 0.0001493700000000, -0.0001311700000000 ] - [ -0.0001828700000000, -0.0018018300000000, -0.0000877700000000 ] - [ 0.0001992800000000, 0.0005545600000000, 0.0005072400000000 ] - [ 0.0005823100000000, 0.0043248500000000, 0.0000972500000000 ] - [ -0.0055762400000000, -0.0033144900000000, -0.0201826300000000 ] - [ -0.0000104800000000, -0.0001656400000000, -0.0006531200000000 ] - [ 0.0004427000000000, -0.0004350500000000, 0.0000415100000000 ] - [ -0.0046177800000000, 0.0094329700000000, 0.0027146900000000 ] - [ 0.0006133700000000, -0.0002405900000000, -0.0010057700000000 ] - [ -0.0000468700000000, 0.0000397200000000, -0.0000359900000000 ] - [ 0.0011747700000000, -0.0002820400000000, -0.0003896000000000 ] - [ -0.0026881900000000, -0.0051101900000000, 0.0006834300000000 ] - [ 0.0002723600000000, 0.0001771000000000, 0.0006744100000000 ] - [ -0.0008743500000000, 0.0010394400000000, 0.0003081400000000 ] - [ -0.0001378900000000, 0.0020182000000000, -0.0001368500000000 ] - [ 0.0002488700000000, -0.0002711300000000, 0.0001668500000000 ] - [ -0.0001616500000000, -0.0007552700000000, 0.0001241400000000 ] - [ -0.0009307800000000, -0.0008890900000000, -0.0006502500000000 ] - [ 0.0008111000000000, -0.0007399100000000, 0.0005232600000000 ] - [ -0.0004380300000000, 0.0002473000000000, -0.0004510200000000 ] - [ 0.0013314400000000, 0.0010466100000000, -0.0025147200000000 ] - [ -0.0001259700000000, -0.0002442500000000, -0.0003870700000000 ] - [ -0.0002155200000000, 0.0013680800000000, -0.0008924600000000 ] - [ 0.0002276600000000, 0.0004154500000000, 0.0002646500000000 ] - [ -0.0013581000000000, 0.0005472300000000, -0.0009900600000000 ] - [ -0.0003399900000000, 0.0002522800000000, -0.0004304300000000 ] - [ -0.0002086800000000, 0.0003246600000000, 0.0004522600000000 ] - [ -0.0002622700000000, 0.0038447900000000, 0.0021077600000000 ] - [ -0.0023313700000000, 0.0005701700000000, -0.0006648500000000 ] - [ 0.0004619300000000, -0.0009211800000000, 0.0011461200000000 ] - [ -0.0008369200000000, 0.0026041900000000, 0.0004152700000000 ] - [ -0.0011488700000000, 0.0004550000000000, 0.0003736400000000 ] - [ -0.0065458700000000, -0.0069457200000000, 0.0132104800000000 ] - [ -0.0003805400000000, 0.0001538800000000, -0.0007199600000000 ] - [ 0.0027777100000000, -0.0015404500000000, 0.0012145700000000 ] - [ 0.0000432300000000, -0.0003166800000000, 0.0003242600000000 ] - [ -0.0000900500000000, 0.0003790500000000, -0.0001089200000000 ] - [ -0.0004548700000000, 0.0011854700000000, -0.0000772700000000 ] - [ -0.0004535600000000, 0.0000245700000000, -0.0001777000000000 ] - [ 0.0007456100000000, 0.0006207600000000, 0.0043882000000000 ] - [ -0.0009246200000000, 0.0036834400000000, -0.0003738300000000 ] - [ -0.0007485500000000, 0.0006860900000000, -0.0002106600000000 ] - [ 0.0078031500000000, 0.0114406500000000, -0.0130002800000000 ] - [ -0.0004451300000000, -0.0003720200000000, -0.0006759200000000 ] - [ -0.0003539400000000, 0.0000810100000000, 0.0006434900000000 ] - [ 0.0013470100000000, -0.0002974300000000, 0.0001952500000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031099900000000, 0.0021939200000000, -0.0000359400000000 ] - [ 0.0005896800000000, -0.0000582000000000, 0.0001176900000000 ] - [ 0.0010089400000000, 0.0014270900000000, -0.0004530600000000 ] - [ 0.0001003900000000, 0.0006554000000000, -0.0001019900000000 ] - [ 0.0011287500000000, 0.0003469600000000, 0.0007081400000000 ] - [ -0.0009690100000000, -0.0000532300000000, -0.0001015100000000 ] - [ -0.0004489100000000, -0.0007606100000000, 0.0005530900000000 ] - [ -0.0016118000000000, -0.0012320400000000, 0.0002799300000000 ] - [ -0.0005956300000000, 0.0003645500000000, -0.0000705600000000 ] - [ -0.0001587000000000, 0.0014319700000000, -0.0002617200000000 ] - [ 0.0020800100000000, 0.0017630400000000, 0.0024820600000000 ] - [ -0.0002294100000000, 0.0000416300000000, -0.0002958800000000 ] - [ 0.0002581300000000, 0.0028786800000000, 0.0011155700000000 ] - [ -0.0001582200000000, -0.0003738100000000, -0.0006396600000000 ] - [ -0.0003530400000000, 0.0004625800000000, 0.0002827300000000 ] - [ 0.0149918200000000, -0.0207670100000000, 0.0112671700000000 ] - [ 0.0034499400000000, -0.0046543000000000, -0.0008701100000000 ] - [ -0.0001275300000000, -0.0001115400000000, -0.0003139400000000 ] - [ -0.0007492800000000, -0.0000963300000000, -0.0002817800000000 ] - [ 0.0046011000000000, 0.0007603400000000, 0.0038828500000000 ] - [ 0.0008891200000000, 0.0077463300000000, -0.0043573000000000 ] - [ -0.0002277900000000, 0.0006624200000000, -0.0004439100000000 ] - [ -0.0012428300000000, -0.0026378300000000, -0.0033588600000000 ] - [ -0.0006716400000000, -0.0007938000000000, -0.0004581200000000 ] - [ -0.0016145700000000, -0.0005548000000000, -0.0012254800000000 ] - [ -0.0000909100000000, -0.0003601500000000, -0.0005201900000000 ] - [ 0.0006494500000000, -0.0021628300000000, 0.0018709200000000 ] - [ -0.0014866400000000, -0.0008539300000000, 0.0018089800000000 ] - [ 0.0033902000000000, 0.0079634000000000, -0.0022954800000000 ] - [ -0.0006228300000000, 0.0003215700000000, 0.0004058500000000 ] - [ -0.0075781600000000, -0.0736631100000000, 0.0636386900000000 ] - [ -0.0003110000000000, -0.0004768300000000, 0.0003706600000000 ] - [ -0.0001901800000000, 0.0041727700000000, -0.0009317600000000 ] - [ -0.0001147100000000, 0.0004193600000000, -0.0007182900000000 ] - [ -0.0017386600000000, 0.0005402100000000, -0.0015663600000000 ] - [ -0.0005250800000000, -0.0040599100000000, 0.0016251500000000 ] - [ -0.0002202700000000, -0.0001357200000000, 0.0006829400000000 ] - [ -0.0009168800000000, 0.0017159100000000, -0.0014633700000000 ] - [ 0.0001689900000000, 0.0000737800000000, -0.0005227300000000 ] - [ -0.0031403400000000, 0.0075302100000000, -0.0011741700000000 ] - [ 0.0010750500000000, -0.0003169100000000, -0.0004779600000000 ] - [ 0.0011552500000000, -0.0007780500000000, 0.0000963300000000 ] - [ -0.0171873900000000, -0.0176071900000000, 0.0236674200000000 ] - [ -0.0002985900000000, -0.0003791700000000, -0.0000242200000000 ] - [ -0.0057456500000000, 0.1149480100000000, -0.1083530300000000 ] - [ 0.0002184500000000, 0.0002286800000000, -0.0002443500000000 ] - [ -0.0002811900000000, 0.0006605800000000, -0.0002150600000000 ] - [ 0.0006815100000000, -0.0008861100000000, 0.0007611300000000 ] - [ 0.0008463700000000, -0.0012726600000000, -0.0012120200000000 ] - [ -0.0007636100000000, -0.0001960000000000, 0.0004104800000000 ] - [ -0.0001159700000000, -0.0028611500000000, -0.0009458900000000 ] - [ 0.0003312200000000, -0.0005528900000000, -0.0000302200000000 ] - [ -0.0003668400000000, -0.0014866100000000, -0.0004750900000000 ] - [ -0.0004467000000000, -0.0004614800000000, -0.0004364800000000 ] - [ -0.0024598800000000, -0.0020112900000000, -0.0008795000000000 ] - [ 0.0005858400000000, 0.0000999900000000, -0.0003368300000000 ] - [ 0.0006018000000000, 0.0005768700000000, -0.0005178200000000 ] - [ 0.0000035400000000, 0.0010432200000000, -0.0009647600000000 ] - [ 0.0011176000000000, 0.0008497300000000, 0.0003252100000000 ] - [ 0.0011767400000000, 0.0027954700000000, 0.0002944600000000 ] - [ 0.0002530400000000, 0.0000329100000000, 0.0007567600000000 ] - [ -0.0001256600000000, -0.0037437000000000, 0.0011709300000000 ] - [ 0.0057778900000000, 0.0029908500000000, 0.0190383300000000 ] - [ 0.0002656200000000, -0.0000025200000000, -0.0004199400000000 ] - [ 0.0005562200000000, -0.0005646800000000, 0.0001530800000000 ] - [ 0.0056697400000000, -0.0105427900000000, -0.0025732400000000 ] - [ -0.0003030600000000, 0.0008792000000000, 0.0009251100000000 ] - [ 0.0003636500000000, 0.0006021000000000, -0.0000536700000000 ] - [ 0.0007766200000000, 0.0008320800000000, -0.0004450000000000 ] - [ 0.0045890500000000, 0.0056579000000000, -0.0015151400000000 ] - [ -0.0005227500000000, -0.0003438900000000, 0.0004043500000000 ] - [ 0.0006411100000000, -0.0012046900000000, 0.0007782100000000 ] - [ 0.0008310000000000, -0.0028122400000000, 0.0007300800000000 ] - [ 0.0004516500000000, -0.0005269900000000, 0.0004382000000000 ] - [ -0.0005369100000000, -0.0000396900000000, -0.0007273300000000 ] - [ 0.0002224100000000, 0.0000942800000000, 0.0000463300000000 ] - [ 0.0000936100000000, 0.0012111000000000, 0.0004014000000000 ] - [ 0.0013336400000000, 0.0002192900000000, 0.0013710400000000 ] - [ -0.0011403800000000, -0.0014352200000000, 0.0018761400000000 ] - [ 0.0003305500000000, -0.0001550600000000, -0.0002827100000000 ] - [ 0.0009080300000000, -0.0005746100000000, 0.0014901400000000 ] - [ 0.0004732700000000, 0.0003793100000000, 0.0003384100000000 ] - [ 0.0004567500000000, -0.0000853300000000, 0.0000680300000000 ] - [ -0.0005547800000000, 0.0002104100000000, -0.0004894200000000 ] - [ 0.0000044300000000, 0.0000741900000000, 0.0002158400000000 ] - [ 0.0000668300000000, -0.0034495600000000, -0.0014406700000000 ] - [ 0.0020918100000000, -0.0004045300000000, 0.0017476200000000 ] - [ -0.0007030200000000, 0.0010834800000000, -0.0000617500000000 ] - [ -0.0011217200000000, -0.0020550700000000, 0.0004181200000000 ] - [ -0.0008047600000000, 0.0000949900000000, 0.0004642900000000 ] - [ 0.0060694400000000, 0.0075647400000000, -0.0144199500000000 ] - [ -0.0000747700000000, 0.0004374600000000, -0.0005413300000000 ] - [ -0.0018784100000000, 0.0010830000000000, -0.0002951600000000 ] - [ 0.0008462400000000, -0.0001456400000000, 0.0005972500000000 ] - [ -0.0002251800000000, 0.0002714800000000, 0.0002000700000000 ] - [ 0.0001401600000000, -0.0005437600000000, 0.0001676800000000 ] - [ 0.0002489400000000, -0.0004275900000000, 0.0008553200000000 ] - [ -0.0009399500000000, -0.0010094800000000, -0.0036739300000000 ] - [ -0.0000768800000000, -0.0026926400000000, 0.0001873600000000 ] - [ -0.0002500300000000, 0.0003126800000000, 0.0000171300000000 ] - [ -0.0083447300000000, -0.0121606500000000, 0.0119106600000000 ] - [ -0.0000049600000000, -0.0002115100000000, -0.0005909900000000 ] - [ 0.0008065000000000, -0.0006683100000000, 0.0006220100000000 ] - [ -0.0008903200000000, -0.0002904700000000, 0.0010682700000000 ]- atom: 45 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ -0.0052039800000000, 0.0031038600000000, 0.0023018800000000 ] - [ 0.0008284700000000, -0.0000681000000000, -0.0009601200000000 ] - [ 0.0016906500000000, 0.0002871100000000, -0.0008070500000000 ] - [ 0.0000576600000000, 0.0002619300000000, 0.0005906500000000 ] - [ 0.0004472800000000, 0.0023132300000000, 0.0019154800000000 ] - [ -0.0000473300000000, -0.0005055200000000, 0.0002992300000000 ] - [ -0.0004010800000000, -0.0005372600000000, 0.0012381200000000 ] - [ 0.0084704600000000, -0.0026013700000000, -0.0057037500000000 ] - [ -0.0007974600000000, 0.0002082600000000, 0.0000194900000000 ] - [ 0.0000259300000000, 0.0001963800000000, -0.0016345100000000 ] - [ -0.0015148200000000, -0.0088352400000000, -0.0012260300000000 ] - [ -0.0001245500000000, 0.0001574400000000, -0.0002254100000000 ] - [ -0.0011133900000000, -0.0027740700000000, 0.0021179000000000 ] - [ 0.0001107600000000, -0.0004314300000000, -0.0006990200000000 ] - [ 0.0000742800000000, 0.0007715000000000, -0.0001878500000000 ] - [ -0.0061947400000000, 0.0024449100000000, 0.0064889900000000 ] - [ -0.0108991300000000, 0.0020097200000000, 0.0101909900000000 ] - [ 0.0003985200000000, 0.0001123900000000, -0.0000967600000000 ] - [ 0.0002140900000000, -0.0002269000000000, -0.0000422600000000 ] - [ -0.0006611300000000, -0.0005828500000000, 0.0064210300000000 ] - [ 0.0015658300000000, 0.0069908700000000, -0.0066804100000000 ] - [ -0.0001580800000000, 0.0005721200000000, -0.0002519900000000 ] - [ -0.0026360800000000, -0.0014621100000000, -0.0066842800000000 ] - [ -0.0013870900000000, -0.0003935600000000, -0.0004603800000000 ] - [ 0.0081042700000000, 0.0010777800000000, -0.0079063900000000 ] - [ -0.0002067400000000, -0.0002126000000000, -0.0003024100000000 ] - [ 0.0043757800000000, -0.0042649000000000, 0.0051874400000000 ] - [ 0.0016470100000000, 0.0005854500000000, 0.0022325000000000 ] - [ 0.0072753100000000, 0.0076358900000000, -0.0099350500000000 ] - [ -0.0003757800000000, 0.0003137500000000, 0.0007773900000000 ] - [ -0.0646430000000000, -0.0622146900000000, 0.2422465500000000 ] - [ 0.0000389100000000, -0.0003472900000000, 0.0003223300000000 ] - [ -0.0010000600000000, 0.0012778600000000, 0.0013430700000000 ] - [ 0.0000467000000000, -0.0000134400000000, -0.0009927000000000 ] - [ -0.0023011400000000, 0.0009000500000000, -0.0020724600000000 ] - [ -0.0005728600000000, -0.0023892800000000, -0.0062143800000000 ] - [ -0.0024857800000000, -0.0015999700000000, -0.0011034700000000 ] - [ -0.0003603100000000, 0.0024652200000000, -0.0024073500000000 ] - [ 0.0005833400000000, 0.0000116400000000, -0.0000609600000000 ] - [ 0.0006162200000000, 0.0006376000000000, 0.0004239600000000 ] - [ 0.0018996600000000, -0.0001162700000000, -0.0005292400000000 ] - [ 0.0005298600000000, -0.0005335500000000, 0.0007442800000000 ] - [ -0.0100651900000000, -0.0221747700000000, 0.0129886200000000 ] - [ -0.0005044700000000, -0.0003686500000000, -0.0001903100000000 ] - [ 0.1105615000000000, 0.0945250300000000, -0.3455701800000000 ] - [ -0.0000891400000000, 0.0001635500000000, -0.0000838400000000 ] - [ 0.0002484700000000, 0.0004672000000000, 0.0010219500000000 ] - [ 0.0020035300000000, -0.0017977600000000, 0.0026654200000000 ] - [ -0.0099707300000000, 0.0072083700000000, 0.0068471100000000 ] - [ -0.0007785500000000, -0.0003261800000000, 0.0003068000000000 ] - [ 0.0010159900000000, -0.0013593600000000, -0.0016590800000000 ] - [ -0.0000354000000000, -0.0002166900000000, 0.0001941600000000 ] - [ -0.0001652100000000, -0.0012538700000000, -0.0009483400000000 ] - [ -0.0004254900000000, -0.0002137800000000, -0.0001698600000000 ] - [ -0.0029596600000000, -0.0021063200000000, 0.0003817500000000 ] - [ 0.0002698400000000, 0.0001171600000000, -0.0006808000000000 ] - [ 0.0005414900000000, 0.0012057600000000, -0.0015920000000000 ] - [ -0.0007873000000000, -0.0002257400000000, -0.0002642600000000 ] - [ 0.0012651100000000, 0.0008631200000000, 0.0002806500000000 ] - [ 0.0003319200000000, 0.0007531300000000, 0.0067374100000000 ] - [ -0.0000312800000000, 0.0001903000000000, 0.0006585200000000 ] - [ 0.0004670800000000, -0.0007159400000000, -0.0006947000000000 ] - [ 0.0122463600000000, -0.0104276800000000, 0.0167239500000000 ] - [ 0.0002187300000000, -0.0000233700000000, -0.0002401300000000 ] - [ 0.0003484400000000, -0.0004855900000000, 0.0001271000000000 ] - [ 0.0007733800000000, -0.0005530500000000, -0.0027776000000000 ] - [ -0.0027601300000000, -0.0014312300000000, 0.0042185700000000 ] - [ 0.0004976600000000, 0.0005540500000000, -0.0003221800000000 ] - [ -0.0006611000000000, 0.0012311200000000, -0.0004311100000000 ] - [ 0.0003086000000000, 0.0014194600000000, -0.0039183700000000 ] - [ -0.0007910600000000, -0.0004556400000000, 0.0001661500000000 ] - [ -0.0006632400000000, -0.0001891300000000, -0.0000598300000000 ] - [ 0.0005866300000000, -0.0009592200000000, -0.0019135700000000 ] - [ 0.0003539500000000, -0.0004686900000000, 0.0004861900000000 ] - [ -0.0013564200000000, -0.0004397900000000, -0.0026847600000000 ] - [ -0.0023280900000000, -0.0005064500000000, -0.0016148000000000 ] - [ 0.0030779100000000, 0.0021699400000000, 0.0025310600000000 ] - [ 0.0014168200000000, 0.0000294400000000, 0.0017208600000000 ] - [ -0.0031806200000000, 0.0022892000000000, 0.0084294300000000 ] - [ 0.0003510300000000, -0.0002422200000000, -0.0005246400000000 ] - [ -0.0006758400000000, 0.0007620800000000, 0.0049799500000000 ] - [ 0.0004887800000000, 0.0004040800000000, 0.0002319300000000 ] - [ -0.0021801900000000, 0.0004456600000000, 0.0000960600000000 ] - [ -0.0003030800000000, 0.0002780000000000, -0.0007360300000000 ] - [ 0.0000103100000000, 0.0000505000000000, -0.0000846600000000 ] - [ -0.0010082500000000, -0.0014827300000000, -0.0000401500000000 ] - [ 0.0029250400000000, -0.0006080600000000, 0.0024748500000000 ] - [ 0.0008267600000000, 0.0003495700000000, 0.0018466400000000 ] - [ -0.0000532400000000, -0.0006066400000000, 0.0000711700000000 ] - [ -0.0009845300000000, 0.0001781400000000, 0.0005529700000000 ] - [ -0.0169623200000000, 0.0101720000000000, 0.0388560800000000 ] - [ -0.0002531600000000, 0.0004022200000000, -0.0005657900000000 ] - [ -0.0087031800000000, -0.0007838900000000, -0.0026743100000000 ] - [ -0.0002475000000000, -0.0001641600000000, -0.0002604500000000 ] - [ -0.0001814100000000, 0.0011257700000000, 0.0007941700000000 ] - [ 0.0001802600000000, -0.0004941600000000, 0.0001901200000000 ] - [ 0.0000324500000000, -0.0005394100000000, 0.0012873900000000 ] - [ 0.0017520900000000, 0.0031890600000000, 0.0042074000000000 ] - [ -0.0006277200000000, -0.0023586800000000, 0.0020698700000000 ] - [ -0.0003341500000000, 0.0004116200000000, 0.0000017500000000 ] - [ -0.0082244700000000, -0.0211496000000000, 0.0156391900000000 ] - [ -0.0001160900000000, -0.0001652800000000, -0.0006581100000000 ] - [ 0.0009385800000000, -0.0007107700000000, 0.0006020200000000 ] - [ -0.0015469200000000, 0.0008244200000000, 0.0032955300000000 ]- atom: 45 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0061152100000000, -0.0032928000000000, -0.0023588900000000 ] - [ 0.0000658300000000, -0.0001078900000000, 0.0009061500000000 ] - [ -0.0007963200000000, -0.0001069500000000, 0.0007628400000000 ] - [ 0.0008333900000000, -0.0000808000000000, -0.0006334300000000 ] - [ -0.0013460500000000, -0.0025023700000000, -0.0018613200000000 ] - [ -0.0008404900000000, 0.0003216700000000, -0.0002557300000000 ] - [ 0.0000942000000000, -0.0005493100000000, -0.0003474400000000 ] - [ -0.0088633000000000, 0.0015416900000000, 0.0066029400000000 ] - [ 0.0002303300000000, -0.0001359100000000, 0.0000790100000000 ] - [ -0.0006003100000000, -0.0001241600000000, 0.0017233300000000 ] - [ 0.0021100500000000, 0.0088194000000000, 0.0010891000000000 ] - [ 0.0006975100000000, -0.0002302900000000, 0.0001304800000000 ] - [ 0.0014187500000000, 0.0016906200000000, -0.0030019100000000 ] - [ 0.0002040700000000, -0.0006557200000000, -0.0001910400000000 ] - [ -0.0003819900000000, 0.0003150600000000, 0.0010828100000000 ] - [ 0.0057681400000000, -0.0012873800000000, -0.0055931100000000 ] - [ 0.0098348700000000, -0.0019077000000000, -0.0086977100000000 ] - [ 0.0001789000000000, -0.0000415300000000, 0.0000054700000000 ] - [ -0.0007800000000000, 0.0001573900000000, 0.0001419700000000 ] - [ 0.0000935400000000, 0.0005580500000000, -0.0063324200000000 ] - [ -0.0012589000000000, -0.0059220300000000, 0.0058043600000000 ] - [ 0.0004735900000000, 0.0005134500000000, -0.0006371600000000 ] - [ 0.0017566500000000, 0.0016419600000000, 0.0067507600000000 ] - [ 0.0004925900000000, 0.0005733500000000, 0.0005112000000000 ] - [ -0.0079535600000000, -0.0011048300000000, 0.0066430400000000 ] - [ 0.0003655600000000, 0.0001804000000000, -0.0009561500000000 ] - [ -0.0045443900000000, 0.0043096200000000, -0.0039336400000000 ] - [ -0.0017394900000000, -0.0005818800000000, -0.0010555300000000 ] - [ -0.0072974300000000, -0.0070929400000000, 0.0111942300000000 ] - [ 0.0003771700000000, 0.0002403200000000, 0.0004514400000000 ] - [ 0.0675949900000000, 0.0682547100000000, -0.2573026900000000 ] - [ -0.0000405900000000, -0.0002089400000000, 0.0009010500000000 ] - [ 0.0011571700000000, -0.0012591300000000, -0.0026178800000000 ] - [ 0.0001060400000000, 0.0000498500000000, -0.0002743000000000 ] - [ 0.0023192900000000, -0.0003457200000000, 0.0008524800000000 ] - [ 0.0005453100000000, 0.0029116500000000, 0.0049925500000000 ] - [ 0.0023494200000000, 0.0015692600000000, 0.0023736100000000 ] - [ 0.0002021500000000, -0.0025071000000000, 0.0036904100000000 ] - [ -0.0005759300000000, -0.0005669500000000, -0.0011595500000000 ] - [ -0.0005850000000000, -0.0012421600000000, -0.0016485200000000 ] - [ 0.0000524100000000, -0.0004339300000000, -0.0003136200000000 ] - [ 0.0014400000000000, -0.0000152200000000, -0.0015906800000000 ] - [ 0.0091887400000000, 0.0215027400000000, -0.0133054400000000 ] - [ -0.0004975400000000, -0.0006199800000000, -0.0000107300000000 ] - [ -0.1115778700000000, -0.1008862800000000, 0.3606012500000000 ] - [ 0.0002979500000000, 0.0002377000000000, -0.0005824400000000 ] - [ -0.0009577200000000, 0.0003421200000000, -0.0016349600000000 ] - [ -0.0026906100000000, 0.0026151900000000, -0.0032687300000000 ] - [ 0.0079756900000000, -0.0076944300000000, -0.0059887000000000 ] - [ -0.0011871200000000, -0.0002247300000000, 0.0005387600000000 ] - [ -0.0007209600000000, 0.0007371000000000, 0.0015818100000000 ] - [ 0.0003267400000000, -0.0004227400000000, -0.0002771400000000 ] - [ -0.0007419500000000, 0.0007740200000000, 0.0000256700000000 ] - [ -0.0004801800000000, -0.0002720900000000, -0.0007543200000000 ] - [ 0.0031897500000000, 0.0022595200000000, -0.0014766000000000 ] - [ -0.0000403400000000, 0.0000398000000000, -0.0004121200000000 ] - [ -0.0008376300000000, -0.0018464300000000, 0.0016798300000000 ] - [ 0.0004744000000000, -0.0004265800000000, 0.0003777500000000 ] - [ -0.0002734200000000, 0.0001189900000000, -0.0000831000000000 ] - [ 0.0006821300000000, 0.0002494600000000, -0.0065034100000000 ] - [ 0.0004783400000000, 0.0003946400000000, 0.0006029200000000 ] - [ -0.0000173700000000, 0.0013231900000000, 0.0019556100000000 ] - [ -0.0122097200000000, 0.0104029000000000, -0.0180150900000000 ] - [ 0.0000229000000000, -0.0001362600000000, -0.0008440500000000 ] - [ 0.0006479000000000, -0.0005003400000000, 0.0000717900000000 ] - [ 0.0001930800000000, -0.0003439100000000, 0.0030242600000000 ] - [ 0.0030642600000000, 0.0020666500000000, -0.0043150300000000 ] - [ -0.0002052400000000, 0.0000830500000000, 0.0002349300000000 ] - [ 0.0026178300000000, -0.0006830800000000, -0.0004109100000000 ] - [ 0.0014698200000000, -0.0009162700000000, 0.0031128500000000 ] - [ 0.0005557300000000, 0.0002989700000000, 0.0009225200000000 ] - [ 0.0004243800000000, 0.0000379600000000, 0.0011490600000000 ] - [ 0.0001193800000000, 0.0001540500000000, 0.0025281500000000 ] - [ 0.0003493100000000, -0.0003431100000000, 0.0001223700000000 ] - [ 0.0006524400000000, -0.0003726600000000, 0.0020744700000000 ] - [ 0.0016344600000000, -0.0002940200000000, 0.0010469100000000 ] - [ -0.0021943200000000, -0.0016910500000000, -0.0016160100000000 ] - [ -0.0005135700000000, 0.0004566300000000, -0.0007989400000000 ] - [ 0.0033943500000000, -0.0027197300000000, -0.0091118800000000 ] - [ -0.0001431000000000, -0.0001584500000000, -0.0001385100000000 ] - [ 0.0013798700000000, 0.0000488000000000, -0.0043677500000000 ] - [ 0.0002138800000000, 0.0004009600000000, 0.0003695000000000 ] - [ 0.0012656300000000, 0.0000404700000000, -0.0010240900000000 ] - [ -0.0006074300000000, 0.0002034800000000, -0.0001938500000000 ] - [ -0.0002215600000000, 0.0003497800000000, 0.0007464100000000 ] - [ 0.0007902300000000, 0.0019077500000000, 0.0007341200000000 ] - [ -0.0031769400000000, 0.0007690500000000, -0.0013947200000000 ] - [ -0.0010493700000000, -0.0001894300000000, -0.0007523400000000 ] - [ -0.0019137300000000, 0.0011637700000000, 0.0007832700000000 ] - [ -0.0009820000000000, 0.0003739000000000, 0.0002957600000000 ] - [ 0.0169176500000000, -0.0098922800000000, -0.0410848700000000 ] - [ -0.0002007200000000, 0.0001859500000000, -0.0006930300000000 ] - [ 0.0095890900000000, 0.0002855800000000, 0.0035915500000000 ] - [ 0.0011287700000000, -0.0003084400000000, 0.0011932300000000 ] - [ -0.0001138900000000, -0.0004841200000000, -0.0007097200000000 ] - [ -0.0004723800000000, 0.0011262900000000, -0.0001090400000000 ] - [ -0.0002482400000000, 0.0001373200000000, -0.0006197800000000 ] - [ -0.0019416300000000, -0.0035612300000000, -0.0035504900000000 ] - [ -0.0003600500000000, 0.0033163600000000, -0.0022711500000000 ] - [ -0.0006675800000000, 0.0005755200000000, -0.0002023100000000 ] - [ 0.0077546200000000, 0.0203443100000000, -0.0167930200000000 ] - [ -0.0003322700000000, -0.0004144100000000, -0.0006091500000000 ] - [ -0.0004970000000000, 0.0001321100000000, 0.0006637300000000 ] - [ 0.0020007800000000, -0.0013988300000000, -0.0020316000000000 ]- atom: 47 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0018729000000000, -0.0004242700000000, 0.0002330300000000 ] - [ -0.0004440800000000, -0.0001212800000000, -0.0004670400000000 ] - [ 0.0002009300000000, 0.0017073800000000, 0.0014891700000000 ] - [ -0.0010852500000000, -0.0002659500000000, -0.0003831500000000 ] - [ 0.0006080400000000, -0.0000289000000000, 0.0016000000000000 ] - [ -0.0019987700000000, -0.0001119500000000, -0.0011902000000000 ] - [ -0.0015789500000000, 0.0010647600000000, 0.0037123500000000 ] - [ -0.0018971100000000, -0.0006265500000000, -0.0000319100000000 ] - [ 0.0018670300000000, -0.0036355700000000, -0.0001815800000000 ] - [ -0.0015247300000000, 0.0000641100000000, -0.0004551800000000 ] - [ -0.0056494900000000, 0.0022310500000000, -0.0033203800000000 ] - [ -0.0009653500000000, -0.0000520900000000, 0.0000295300000000 ] - [ -0.0006543000000000, -0.0005045300000000, -0.0005608800000000 ] - [ 0.0006243900000000, -0.0012392500000000, -0.0010505100000000 ] - [ 0.0182110000000000, 0.0027845300000000, 0.0300624200000000 ] - [ -0.0013420500000000, 0.0004887200000000, -0.0001953500000000 ] - [ -0.0003819000000000, 0.0000292300000000, 0.0001390300000000 ] - [ -0.0017672000000000, 0.0025550900000000, -0.0010925200000000 ] - [ 0.0015420900000000, 0.0000614000000000, 0.0006104600000000 ] - [ -0.0015069700000000, -0.0000362100000000, -0.0005728800000000 ] - [ -0.0009253200000000, 0.0005874500000000, -0.0006569200000000 ] - [ 0.0001956000000000, 0.0003910500000000, -0.0003977500000000 ] - [ 0.0018321600000000, -0.0070204100000000, -0.0030746500000000 ] - [ -0.0015007900000000, 0.0000605900000000, -0.0002982200000000 ] - [ 0.0002484700000000, -0.0032623900000000, 0.0012727700000000 ] - [ -0.0012756000000000, 0.0003044200000000, -0.0010399700000000 ] - [ 0.0027137600000000, -0.0000850400000000, 0.0031445600000000 ] - [ -0.0022914200000000, 0.0002288800000000, -0.0004161400000000 ] - [ -0.0020889100000000, 0.0008041600000000, 0.0010840700000000 ] - [ -0.0041653000000000, -0.0067722000000000, 0.0041096900000000 ] - [ -0.0007870700000000, -0.0016563100000000, -0.0013460100000000 ] - [ 0.0003215800000000, 0.0012439500000000, -0.0012896900000000 ] - [ 0.0022940700000000, 0.0020244600000000, -0.0005908700000000 ] - [ -0.0010752500000000, -0.0005343600000000, -0.0012721900000000 ] - [ 0.0052840800000000, 0.0040338600000000, 0.0017383100000000 ] - [ -0.0017325800000000, 0.0001348800000000, -0.0013805100000000 ] - [ 0.0583083100000000, -0.0262505800000000, 0.0355121400000000 ] - [ -0.0019080200000000, 0.0001067900000000, 0.0001379600000000 ] - [ 0.0041038500000000, -0.0017270600000000, 0.0022225700000000 ] - [ -0.0020814800000000, -0.0000458800000000, -0.0017627300000000 ] - [ -0.0001449700000000, 0.0145565800000000, -0.0208765200000000 ] - [ 0.0020986100000000, -0.0003339900000000, -0.0004259700000000 ] - [ 0.0002490100000000, 0.0001704100000000, 0.0004726300000000 ] - [ -0.0010208500000000, -0.0010244800000000, -0.0001098800000000 ] - [ 0.0004099000000000, 0.0001336900000000, 0.0004465400000000 ] - [ -0.0003249100000000, -0.0008201200000000, 0.0020187500000000 ] - [ -0.0859752500000000, 0.0305508500000000, -0.0824224400000000 ] - [ 0.0003615500000000, 0.0002622000000000, 0.0003219400000000 ] - [ -0.0001839600000000, 0.0003105900000000, -0.0002177100000000 ] - [ -0.0003803200000000, -0.0005028900000000, 0.0004265000000000 ] - [ -0.0011875600000000, -0.0015190800000000, 0.0009284100000000 ] - [ 0.0005868500000000, -0.0000589900000000, 0.0003949900000000 ] - [ -0.0025585000000000, -0.0001077300000000, -0.0010642200000000 ] - [ 0.0005074100000000, 0.0000081700000000, 0.0000812000000000 ] - [ 0.0009075800000000, -0.0003266700000000, -0.0008688000000000 ] - [ 0.0032478500000000, 0.0021686700000000, -0.0000194600000000 ] - [ -0.0012001900000000, -0.0006430700000000, -0.0000581400000000 ] - [ 0.0005050800000000, -0.0003386300000000, 0.0002353500000000 ] - [ 0.0008548700000000, -0.0033647700000000, -0.0015022700000000 ] - [ 0.0013636900000000, 0.0009048800000000, 0.0003917300000000 ] - [ -0.0007045200000000, 0.0006249400000000, 0.0000572100000000 ] - [ 0.0008978900000000, 0.0003235600000000, 0.0008676500000000 ] - [ 0.0001276500000000, 0.0010994400000000, 0.0006642300000000 ] - [ 0.0009394400000000, -0.0005176900000000, 0.0002726100000000 ] - [ -0.0007544200000000, 0.0006546700000000, 0.0014981500000000 ] - [ 0.0014664400000000, -0.0009810600000000, 0.0007544600000000 ] - [ 0.0022811600000000, 0.0037959700000000, -0.0011937300000000 ] - [ 0.0008121600000000, 0.0002008900000000, -0.0000151600000000 ] - [ -0.0023480500000000, 0.0012098700000000, -0.0027712600000000 ] - [ 0.0021174000000000, 0.0002469900000000, -0.0003330900000000 ] - [ -0.0023312300000000, -0.0007322200000000, -0.0015366500000000 ] - [ 0.0014698700000000, 0.0001215000000000, 0.0014357900000000 ] - [ 0.0000615200000000, -0.0008025700000000, 0.0002409600000000 ] - [ 0.0006225700000000, -0.0003028500000000, 0.0007467000000000 ] - [ -0.0015510800000000, -0.0012608800000000, -0.0024148800000000 ] - [ 0.0005805700000000, -0.0002479500000000, 0.0006667800000000 ] - [ 0.0144458400000000, -0.0112694100000000, 0.0365594800000000 ] - [ 0.0016070300000000, 0.0003504500000000, 0.0010174000000000 ] - [ 0.0015992800000000, -0.0003874500000000, -0.0007803400000000 ] - [ 0.0013557100000000, 0.0003751900000000, -0.0019420700000000 ] - [ 0.0004477200000000, 0.0010012600000000, 0.0001305300000000 ] - [ 0.0006621500000000, 0.0005486400000000, 0.0004240800000000 ] - [ -0.0015540500000000, 0.0006917200000000, -0.0014160400000000 ] - [ 0.0005336800000000, 0.0001422700000000, 0.0000413500000000 ] - [ -0.0002857000000000, 0.0007586200000000, -0.0008829700000000 ] - [ 0.0006006000000000, 0.0003234300000000, 0.0007886000000000 ] - [ -0.0044489500000000, 0.0010671800000000, -0.0005950300000000 ] - [ 0.0011090300000000, -0.0000818600000000, 0.0011525700000000 ] - [ -0.0012130700000000, -0.0015549000000000, 0.0013014500000000 ] - [ -0.0004470500000000, 0.0005919700000000, 0.0003788600000000 ] - [ 0.0011006200000000, 0.0017495200000000, 0.0003959700000000 ] - [ -0.0001212900000000, -0.0000934700000000, -0.0005265000000000 ] - [ -0.0008125600000000, 0.0003564200000000, -0.0012141300000000 ] - [ 0.0022432000000000, -0.0007275400000000, 0.0015876500000000 ] - [ -0.0098782100000000, -0.0075822200000000, 0.0033401000000000 ] - [ 0.0006359500000000, 0.0001453000000000, 0.0000148300000000 ] - [ -0.0011551900000000, -0.0006803600000000, 0.0001464700000000 ] - [ 0.0004991800000000, -0.0003005900000000, 0.0005930400000000 ] - [ 0.0003594600000000, -0.0000270600000000, 0.0000745200000000 ] - [ -0.0005921300000000, 0.0024326300000000, -0.0000932000000000 ] - [ 0.0004243000000000, -0.0000746000000000, -0.0008733100000000 ] - [ 0.0117451600000000, 0.0033127900000000, -0.0016919000000000 ] - [ -0.0011686600000000, -0.0006820100000000, 0.0001496600000000 ] - [ 0.0009043500000000, -0.0003501100000000, 0.0007557100000000 ]- atom: 47 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ -0.0009866600000000, 0.0002344500000000, -0.0002782800000000 ] - [ 0.0013355900000000, -0.0000605500000000, 0.0004185900000000 ] - [ 0.0007249900000000, -0.0015324800000000, -0.0015772600000000 ] - [ 0.0019790600000000, 0.0004501600000000, 0.0003338800000000 ] - [ -0.0015055200000000, -0.0001457000000000, -0.0015397500000000 ] - [ 0.0011157800000000, -0.0000683700000000, 0.0012451000000000 ] - [ 0.0012434200000000, -0.0021225100000000, -0.0028309100000000 ] - [ 0.0015917400000000, -0.0004574300000000, 0.0009251500000000 ] - [ -0.0024681700000000, 0.0036624600000000, 0.0002787500000000 ] - [ 0.0009583800000000, 0.0000088900000000, 0.0005502600000000 ] - [ 0.0062317300000000, -0.0023015200000000, 0.0032404800000000 ] - [ 0.0015357100000000, -0.0000197400000000, -0.0001219100000000 ] - [ 0.0009659900000000, -0.0005842600000000, -0.0003280400000000 ] - [ -0.0003202300000000, 0.0001504700000000, 0.0001562900000000 ] - [ -0.0184397000000000, -0.0016801200000000, -0.0299983500000000 ] - [ 0.0010354300000000, 0.0005987300000000, 0.0010897900000000 ] - [ 0.0009477000000000, 0.0000409700000000, -0.0002325800000000 ] - [ 0.0023471300000000, -0.0025012900000000, 0.0010010500000000 ] - [ -0.0021174900000000, -0.0001427900000000, -0.0005182500000000 ] - [ 0.0009408900000000, -0.0000354300000000, 0.0006699200000000 ] - [ 0.0012401500000000, 0.0004950900000000, -0.0002346600000000 ] - [ 0.0001072600000000, 0.0006896200000000, -0.0004956000000000 ] - [ -0.0026994200000000, 0.0072577500000000, 0.0031381300000000 ] - [ 0.0006136200000000, 0.0001207600000000, 0.0003479700000000 ] - [ -0.0000947400000000, 0.0032034900000000, -0.0025315800000000 ] - [ 0.0014259600000000, -0.0003410100000000, -0.0002234800000000 ] - [ -0.0028639400000000, 0.0001194200000000, -0.0018674900000000 ] - [ 0.0021501300000000, -0.0001975300000000, 0.0016843000000000 ] - [ 0.0020860500000000, -0.0002499500000000, 0.0001359700000000 ] - [ 0.0041709600000000, 0.0073819500000000, -0.0029365800000000 ] - [ 0.0007873100000000, 0.0011033000000000, 0.0025749600000000 ] - [ -0.0003326200000000, -0.0018038400000000, 0.0025270600000000 ] - [ -0.0021336400000000, -0.0019870300000000, -0.0006547600000000 ] - [ 0.0012230000000000, 0.0005733500000000, 0.0000109900000000 ] - [ -0.0053057500000000, -0.0035067800000000, -0.0029802800000000 ] - [ 0.0017392300000000, 0.0004170000000000, 0.0001604600000000 ] - [ -0.0589990400000000, 0.0271155500000000, -0.0352343500000000 ] - [ 0.0017653200000000, -0.0001394000000000, 0.0011272600000000 ] - [ -0.0041204700000000, 0.0011971300000000, -0.0034377600000000 ] - [ 0.0020912900000000, -0.0005069000000000, 0.0005422200000000 ] - [ 0.0021587400000000, -0.0150849300000000, 0.0201468100000000 ] - [ -0.0001540600000000, -0.0002118300000000, -0.0004087200000000 ] - [ -0.0012582000000000, -0.0011765500000000, -0.0006747700000000 ] - [ 0.0000185600000000, 0.0000263800000000, -0.0000936800000000 ] - [ -0.0001972300000000, 0.0002650800000000, -0.0011244300000000 ] - [ 0.0005291100000000, 0.0012331400000000, -0.0027187700000000 ] - [ 0.0858471900000000, -0.0307233500000000, 0.0831538600000000 ] - [ -0.0010700300000000, 0.0005298800000000, -0.0009296300000000 ] - [ -0.0017618500000000, -0.0008516300000000, 0.0010494200000000 ] - [ -0.0015691700000000, -0.0000392900000000, 0.0004090300000000 ] - [ 0.0014956300000000, 0.0008726700000000, -0.0010144100000000 ] - [ -0.0002770900000000, -0.0005885100000000, -0.0004813300000000 ] - [ 0.0016588300000000, -0.0003489100000000, 0.0001287100000000 ] - [ -0.0014024500000000, -0.0004750700000000, -0.0010014000000000 ] - [ -0.0006613000000000, 0.0004861000000000, -0.0002064800000000 ] - [ -0.0030173700000000, -0.0020214000000000, -0.0010585000000000 ] - [ 0.0008968800000000, 0.0000068100000000, 0.0001336200000000 ] - [ -0.0008196300000000, -0.0003022700000000, -0.0001530800000000 ] - [ 0.0001265100000000, 0.0044070600000000, 0.0017220600000000 ] - [ -0.0003613400000000, 0.0000981400000000, -0.0001931000000000 ] - [ 0.0011609100000000, -0.0000347800000000, 0.0012060700000000 ] - [ -0.0004488200000000, 0.0002672800000000, 0.0003939600000000 ] - [ 0.0001163500000000, -0.0012659300000000, -0.0017514800000000 ] - [ -0.0006917700000000, 0.0003532500000000, -0.0013574400000000 ] - [ 0.0017656900000000, -0.0016782200000000, -0.0013255500000000 ] - [ -0.0004646800000000, -0.0000235300000000, -0.0005576200000000 ] - [ -0.0019442100000000, -0.0031205300000000, 0.0011097400000000 ] - [ -0.0005032800000000, 0.0004445800000000, -0.0000675800000000 ] - [ 0.0043038600000000, -0.0006349700000000, 0.0019252000000000 ] - [ -0.0001733100000000, 0.0003008200000000, -0.0005034800000000 ] - [ 0.0020906900000000, 0.0005563400000000, 0.0026238800000000 ] - [ -0.0017218900000000, -0.0002889900000000, -0.0003566900000000 ] - [ 0.0006407800000000, 0.0000138300000000, 0.0003565000000000 ] - [ 0.0000840400000000, -0.0004892100000000, -0.0001407000000000 ] - [ 0.0008489200000000, 0.0004594500000000, 0.0017939200000000 ] - [ -0.0012905900000000, -0.0005440100000000, -0.0012770900000000 ] - [ -0.0134447300000000, 0.0116328000000000, -0.0351210900000000 ] - [ -0.0007193500000000, 0.0001151200000000, -0.0001017500000000 ] - [ -0.0013922000000000, -0.0000108900000000, 0.0001077700000000 ] - [ -0.0011376300000000, -0.0007751500000000, 0.0012872100000000 ] - [ 0.0002530900000000, -0.0001992300000000, 0.0004778700000000 ] - [ 0.0000449700000000, 0.0002420100000000, 0.0001838800000000 ] - [ 0.0006559700000000, -0.0002127400000000, 0.0005004100000000 ] - [ -0.0014297300000000, 0.0003242400000000, -0.0009610300000000 ] - [ 0.0000866500000000, -0.0003617800000000, 0.0015426100000000 ] - [ -0.0008179900000000, 0.0000743300000000, -0.0001112000000000 ] - [ 0.0042119600000000, -0.0009049600000000, 0.0016812600000000 ] - [ -0.0013591100000000, 0.0002487800000000, -0.0000727800000000 ] - [ -0.0007408800000000, 0.0020989400000000, -0.0004710200000000 ] - [ -0.0015004000000000, -0.0000495800000000, 0.0004558500000000 ] - [ -0.0015526100000000, -0.0011595300000000, -0.0016623900000000 ] - [ -0.0003305400000000, 0.0006872900000000, -0.0007377600000000 ] - [ 0.0017092300000000, -0.0008217200000000, 0.0021241100000000 ] - [ -0.0013591400000000, 0.0002638300000000, -0.0006741100000000 ] - [ 0.0094760700000000, 0.0082766200000000, -0.0033039400000000 ] - [ -0.0009504500000000, 0.0004960000000000, 0.0000685300000000 ] - [ 0.0009448300000000, 0.0002892000000000, 0.0005337400000000 ] - [ -0.0007127000000000, -0.0000959700000000, 0.0000789500000000 ] - [ -0.0013657600000000, 0.0010309400000000, -0.0002748200000000 ] - [ -0.0004007200000000, -0.0014405500000000, -0.0000899900000000 ] - [ -0.0008780000000000, -0.0005184000000000, -0.0003904900000000 ] - [ -0.0123796100000000, -0.0039457200000000, 0.0004086700000000 ] - [ 0.0016241000000000, 0.0001028800000000, 0.0011200000000000 ] - [ -0.0004561600000000, -0.0002395600000000, 0.0005079800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007718200000000, -0.0028474200000000, -0.0015654600000000 ] - [ 0.0008045600000000, -0.0004199300000000, 0.0000237600000000 ] - [ 0.0076476700000000, -0.0041437900000000, -0.0059119200000000 ] - [ 0.0005030400000000, -0.0001566000000000, 0.0000736000000000 ] - [ -0.0003711400000000, 0.0019726300000000, 0.0003047000000000 ] - [ -0.0002889600000000, 0.0001816600000000, -0.0000014200000000 ] - [ -0.0016888700000000, 0.0040745800000000, -0.0001895700000000 ] - [ 0.0000836400000000, -0.0001853500000000, 0.0005482900000000 ] - [ -0.0050127800000000, -0.0052320900000000, 0.0021044700000000 ] - [ 0.0000059600000000, -0.0000642700000000, 0.0001610300000000 ] - [ 0.0020853400000000, 0.0002810300000000, 0.0007604100000000 ] - [ -0.0001263300000000, 0.0006028500000000, 0.0000086500000000 ] - [ 0.0002423300000000, -0.0011062400000000, -0.0001176300000000 ] - [ -0.0001153400000000, -0.0024453400000000, -0.0005393800000000 ] - [ 0.0003668100000000, 0.0029048800000000, 0.0013457700000000 ] - [ 0.0000261500000000, 0.0008647300000000, 0.0005064800000000 ] - [ -0.0007484200000000, 0.0004194200000000, 0.0000503400000000 ] - [ 0.0022154700000000, 0.0002980000000000, 0.0004093600000000 ] - [ -0.0004909400000000, -0.0040061000000000, 0.0003685500000000 ] - [ -0.0000744400000000, -0.0001872600000000, 0.0001432000000000 ] - [ 0.0006788500000000, -0.0000999700000000, -0.0003968000000000 ] - [ -0.0000010500000000, -0.0007385600000000, -0.0007039700000000 ] - [ -0.0079154500000000, 0.0004184200000000, -0.0115738900000000 ] - [ -0.0001166900000000, 0.0003578500000000, 0.0002751000000000 ] - [ 0.0001695900000000, -0.0062677400000000, 0.0003752600000000 ] - [ 0.0008432400000000, -0.0005058500000000, -0.0007319700000000 ] - [ -0.0062671700000000, 0.0027709100000000, 0.0047768900000000 ] - [ 0.0003449000000000, 0.0000744700000000, 0.0008746800000000 ] - [ 0.0019954800000000, 0.0009816200000000, 0.0013144100000000 ] - [ -0.0016817300000000, 0.0028669000000000, -0.0014390100000000 ] - [ -0.0014139200000000, 0.0003213600000000, 0.0002031000000000 ] - [ -0.0002548600000000, -0.0008288300000000, 0.0035975400000000 ] - [ 0.0013230200000000, -0.0007828800000000, 0.0016666200000000 ] - [ -0.0001521800000000, -0.0000630200000000, -0.0004516000000000 ] - [ 0.0055818000000000, -0.0064071500000000, 0.0004410700000000 ] - [ 0.0002241800000000, -0.0000586700000000, -0.0005642200000000 ] - [ -0.0202468500000000, 0.1746812500000000, -0.1248416300000000 ] - [ 0.0002590800000000, 0.0001108400000000, 0.0006820000000000 ] - [ -0.0022922300000000, -0.0006076500000000, -0.0016890500000000 ] - [ 0.0004705300000000, -0.0003706900000000, -0.0002665200000000 ] - [ 0.0067196900000000, 0.0000528100000000, -0.0151812200000000 ] - [ 0.0007316200000000, -0.0003511300000000, -0.0004117200000000 ] - [ -0.0002229300000000, -0.0002751600000000, -0.0001048500000000 ] - [ -0.0006107000000000, 0.0003363600000000, -0.0008213100000000 ] - [ 0.0003919800000000, -0.0000611700000000, -0.0001542700000000 ] - [ -0.0012750100000000, 0.0014873500000000, -0.0033338900000000 ] - [ 0.0297269600000000, -0.2029861400000000, 0.1807726200000000 ] - [ -0.0004852000000000, 0.0003159000000000, -0.0003928100000000 ] - [ -0.0003407000000000, 0.0010285700000000, -0.0000630100000000 ] - [ -0.0015914100000000, 0.0002614300000000, 0.0004570800000000 ] - [ -0.0001381900000000, -0.0002134500000000, -0.0005606100000000 ] - [ 0.0001840200000000, -0.0003891400000000, -0.0000839700000000 ] - [ -0.0007460500000000, 0.0021848200000000, -0.0025955900000000 ] - [ -0.0004701600000000, -0.0001348000000000, -0.0004985800000000 ] - [ -0.0019741500000000, -0.0006818300000000, -0.0003692200000000 ] - [ 0.0002252800000000, -0.0004569200000000, -0.0001098300000000 ] - [ 0.0018465100000000, 0.0009602200000000, -0.0010035000000000 ] - [ -0.0003104200000000, -0.0003325300000000, 0.0000192100000000 ] - [ -0.0026602600000000, 0.0019729100000000, 0.0012366900000000 ] - [ 0.0005850400000000, 0.0004437900000000, 0.0001226200000000 ] - [ 0.0009722200000000, 0.0015250300000000, 0.0008761500000000 ] - [ 0.0000183200000000, 0.0004367000000000, 0.0005264700000000 ] - [ 0.0012263100000000, -0.0002774700000000, 0.0005101000000000 ] - [ -0.0005032900000000, 0.0002045300000000, -0.0014806300000000 ] - [ 0.0007967500000000, -0.0005863500000000, 0.0012634200000000 ] - [ 0.0002239800000000, -0.0005504800000000, -0.0001369000000000 ] - [ 0.0040499700000000, 0.0046196000000000, -0.0009177400000000 ] - [ -0.0001471000000000, 0.0004043700000000, -0.0000913300000000 ] - [ 0.0079301600000000, 0.0069305100000000, -0.0122104900000000 ] - [ 0.0008147200000000, 0.0002291300000000, -0.0004389100000000 ] - [ 0.0003452700000000, -0.0001113200000000, 0.0026219900000000 ] - [ -0.0003646000000000, -0.0001000900000000, 0.0003908800000000 ] - [ -0.0000563300000000, 0.0004863700000000, -0.0007071400000000 ] - [ 0.0004449100000000, -0.0001084300000000, 0.0003284300000000 ] - [ 0.0005035600000000, -0.0029449900000000, -0.0025913800000000 ] - [ -0.0004993900000000, -0.0005229800000000, -0.0004831500000000 ] - [ -0.0026320000000000, -0.0131768100000000, -0.0045922600000000 ] - [ 0.0002834600000000, 0.0000127000000000, 0.0003317800000000 ] - [ -0.0004228400000000, -0.0005576400000000, -0.0005288400000000 ] - [ 0.0011022600000000, -0.0006911300000000, 0.0001932900000000 ] - [ -0.0002428900000000, 0.0027885700000000, 0.0006756100000000 ] - [ 0.0001969100000000, 0.0007387900000000, 0.0002871600000000 ] - [ -0.0009514000000000, 0.0034471700000000, -0.0001226900000000 ] - [ -0.0008027700000000, 0.0004368200000000, -0.0005974200000000 ] - [ 0.0010002400000000, 0.0011779300000000, 0.0004291800000000 ] - [ -0.0003577500000000, 0.0002205700000000, 0.0002357400000000 ] - [ -0.0039647500000000, 0.0073781600000000, 0.0043722500000000 ] - [ -0.0004147800000000, 0.0001965300000000, 0.0004126900000000 ] - [ -0.0017339000000000, 0.0004738300000000, -0.0003171500000000 ] - [ -0.0006610700000000, 0.0004536500000000, 0.0003937000000000 ] - [ -0.0001957600000000, -0.0005537700000000, -0.0008088300000000 ] - [ -0.0001531900000000, -0.0004444400000000, -0.0013079800000000 ] - [ 0.0019377500000000, -0.0014912800000000, 0.0001070700000000 ] - [ 0.0000808700000000, -0.0003754300000000, 0.0003083600000000 ] - [ -0.0091220800000000, 0.0284631800000000, -0.0164654600000000 ] - [ -0.0002652400000000, 0.0003097600000000, 0.0000280100000000 ] - [ -0.0008869100000000, 0.0022176600000000, -0.0005979700000000 ] - [ -0.0001375800000000, -0.0000731300000000, 0.0002599100000000 ] - [ -0.0010255200000000, 0.0007467600000000, -0.0003115400000000 ] - [ 0.0012525300000000, 0.0004037900000000, 0.0008638100000000 ] - [ -0.0007061200000000, -0.0011181400000000, -0.0004439900000000 ] - [ -0.0012392200000000, -0.0034855200000000, 0.0006532700000000 ] - [ -0.0011675100000000, 0.0030971200000000, 0.0014380400000000 ] - [ 0.0000474100000000, -0.0000497000000000, 0.0006894200000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016572500000000, 0.0026682800000000, 0.0014999600000000 ] - [ 0.0000857300000000, 0.0002382200000000, -0.0000732800000000 ] - [ -0.0068149800000000, 0.0043298100000000, 0.0059299800000000 ] - [ 0.0003838200000000, 0.0003352300000000, -0.0001220900000000 ] - [ -0.0005157500000000, -0.0021598000000000, -0.0002582900000000 ] - [ -0.0006084500000000, -0.0003644300000000, 0.0000451700000000 ] - [ 0.0013888500000000, -0.0051471000000000, 0.0010833000000000 ] - [ -0.0003926700000000, -0.0008971800000000, 0.0003423500000000 ] - [ 0.0044792100000000, 0.0052874300000000, -0.0020400600000000 ] - [ -0.0005776700000000, 0.0001346600000000, -0.0000693100000000 ] - [ -0.0014870500000000, -0.0003666500000000, -0.0008393800000000 ] - [ 0.0006889700000000, -0.0006723700000000, -0.0001100700000000 ] - [ 0.0000612800000000, 0.0000174400000000, -0.0007760900000000 ] - [ 0.0004342100000000, 0.0013525300000000, -0.0003471300000000 ] - [ -0.0004525900000000, -0.0017548200000000, -0.0001066000000000 ] - [ -0.0003376600000000, 0.0002215800000000, 0.0003878100000000 ] - [ 0.0013149100000000, -0.0003436800000000, -0.0001404200000000 ] - [ -0.0016429900000000, -0.0002069100000000, -0.0004994400000000 ] - [ -0.0000758300000000, 0.0039434200000000, -0.0002595300000000 ] - [ -0.0004965500000000, 0.0001174900000000, -0.0000488000000000 ] - [ -0.0003754400000000, 0.0011827500000000, -0.0005051400000000 ] - [ 0.0003171700000000, 0.0018171900000000, -0.0001928700000000 ] - [ 0.0070694100000000, -0.0001211100000000, 0.0116791900000000 ] - [ -0.0007764200000000, -0.0001757000000000, -0.0002280700000000 ] - [ -0.0000360100000000, 0.0062327600000000, -0.0016298300000000 ] - [ -0.0006913800000000, 0.0004728800000000, -0.0005316100000000 ] - [ 0.0061420000000000, -0.0027226600000000, -0.0035353900000000 ] - [ -0.0004992000000000, -0.0000392900000000, 0.0003876000000000 ] - [ -0.0020131700000000, -0.0004359500000000, -0.0001051000000000 ] - [ 0.0016619500000000, -0.0023797000000000, 0.0026979600000000 ] - [ 0.0013986100000000, -0.0008640700000000, 0.0010200000000000 ] - [ 0.0002441800000000, 0.0002823200000000, -0.0023785200000000 ] - [ -0.0011866300000000, 0.0008004700000000, -0.0029472600000000 ] - [ 0.0002955600000000, 0.0000910500000000, -0.0008113600000000 ] - [ -0.0055227000000000, 0.0069436400000000, -0.0016574500000000 ] - [ -0.0002210300000000, 0.0006135500000000, -0.0006581500000000 ] - [ 0.0214409800000000, -0.1797282600000000, 0.1339956000000000 ] - [ -0.0004089800000000, -0.0001419100000000, 0.0005812500000000 ] - [ 0.0023315200000000, 0.0000077000000000, 0.0004866000000000 ] - [ -0.0004673700000000, -0.0001872500000000, -0.0009603600000000 ] - [ -0.0048294300000000, -0.0004811000000000, 0.0144830500000000 ] - [ 0.0012231700000000, -0.0001979300000000, -0.0004242400000000 ] - [ -0.0007795600000000, -0.0007310900000000, -0.0000899100000000 ] - [ -0.0003920300000000, -0.0013384300000000, 0.0006258200000000 ] - [ -0.0001834600000000, 0.0004615100000000, -0.0005210500000000 ] - [ 0.0014629500000000, -0.0010768800000000, 0.0026521600000000 ] - [ -0.0322643300000000, 0.2089951700000000, -0.1900743800000000 ] - [ -0.0002117900000000, 0.0004820500000000, -0.0002079400000000 ] - [ -0.0016001000000000, -0.0015782500000000, 0.0008920900000000 ] - [ -0.0003662500000000, -0.0008103500000000, 0.0003790100000000 ] - [ 0.0004549300000000, -0.0004161800000000, 0.0004679000000000 ] - [ 0.0001298900000000, -0.0002516400000000, -0.0000026300000000 ] - [ -0.0001502900000000, -0.0026449800000000, 0.0016926500000000 ] - [ -0.0004240800000000, -0.0003304000000000, -0.0004214500000000 ] - [ 0.0022374100000000, 0.0008571000000000, -0.0007089200000000 ] - [ 0.0000339200000000, 0.0006380800000000, -0.0009714000000000 ] - [ -0.0021608100000000, -0.0016088800000000, 0.0010970900000000 ] - [ -0.0000018700000000, -0.0003086600000000, 0.0000699900000000 ] - [ 0.0036150100000000, -0.0009742100000000, -0.0010361000000000 ] - [ 0.0004168600000000, 0.0005534600000000, 0.0000740100000000 ] - [ -0.0005220200000000, -0.0009239700000000, 0.0003742800000000 ] - [ 0.0004366500000000, 0.0001528400000000, 0.0007365700000000 ] - [ -0.0009721400000000, 0.0001031700000000, -0.0015911500000000 ] - [ 0.0007548400000000, -0.0003719300000000, 0.0004038200000000 ] - [ 0.0001919800000000, -0.0003692000000000, -0.0010219900000000 ] - [ 0.0007778300000000, -0.0004493000000000, 0.0003316400000000 ] - [ -0.0036974700000000, -0.0039552500000000, 0.0008240700000000 ] - [ 0.0004594900000000, 0.0002360900000000, 0.0000031300000000 ] - [ -0.0059516200000000, -0.0063464700000000, 0.0112707900000000 ] - [ 0.0011425500000000, 0.0003193900000000, -0.0004000800000000 ] - [ -0.0005981900000000, -0.0000420500000000, -0.0015564600000000 ] - [ 0.0001246300000000, -0.0000636600000000, 0.0006916500000000 ] - [ 0.0007595600000000, -0.0012809300000000, 0.0013107700000000 ] - [ 0.0002538200000000, -0.0006873500000000, 0.0002716000000000 ] - [ -0.0012038000000000, 0.0021428000000000, 0.0019955800000000 ] - [ -0.0001981500000000, -0.0002753900000000, -0.0001163600000000 ] - [ 0.0034553100000000, 0.0137745800000000, 0.0053915500000000 ] - [ 0.0006126800000000, 0.0004531000000000, 0.0005881400000000 ] - [ 0.0006232500000000, 0.0001586900000000, -0.0001371100000000 ] - [ -0.0008969700000000, 0.0002927100000000, -0.0008762300000000 ] - [ 0.0009515500000000, -0.0019965700000000, -0.0000695900000000 ] - [ 0.0004998200000000, 0.0000586500000000, 0.0003128400000000 ] - [ 0.0000601900000000, -0.0029921600000000, -0.0008055700000000 ] - [ -0.0000938700000000, 0.0000317000000000, -0.0003227400000000 ] - [ -0.0012123600000000, -0.0007658800000000, 0.0002434800000000 ] - [ 0.0001516800000000, 0.0001837100000000, 0.0004446300000000 ] - [ 0.0036800800000000, -0.0071311000000000, -0.0032352800000000 ] - [ 0.0001721700000000, -0.0000316000000000, 0.0006684900000000 ] - [ -0.0002147300000000, 0.0000904000000000, 0.0011587200000000 ] - [ -0.0012901700000000, 0.0001009500000000, 0.0004446600000000 ] - [ -0.0002568200000000, 0.0011322100000000, -0.0004583000000000 ] - [ -0.0003022600000000, 0.0010288200000000, 0.0000476000000000 ] - [ -0.0010474600000000, 0.0010192000000000, 0.0008141300000000 ] - [ 0.0008207200000000, -0.0000955900000000, 0.0006153700000000 ] - [ 0.0090554600000000, -0.0286206500000000, 0.0169292800000000 ] - [ -0.0000453500000000, 0.0003285800000000, 0.0000602500000000 ] - [ 0.0006712300000000, -0.0026116900000000, 0.0012616000000000 ] - [ -0.0000656000000000, -0.0003284400000000, 0.0004117700000000 ] - [ 0.0000266400000000, 0.0002537600000000, 0.0001183200000000 ] - [ -0.0022657400000000, 0.0006119200000000, -0.0010628700000000 ] - [ 0.0002569800000000, 0.0005337200000000, -0.0008211200000000 ] - [ 0.0008836600000000, 0.0029253800000000, -0.0019382000000000 ] - [ 0.0015989900000000, -0.0036752800000000, -0.0001680600000000 ] - [ 0.0004077100000000, -0.0005378700000000, 0.0005755400000000 ]- atom: 47 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0020451000000000, 0.0008815800000000, -0.0015557100000000 ] - [ -0.0003141400000000, 0.0000275500000000, -0.0001688600000000 ] - [ 0.0004189200000000, -0.0005536900000000, 0.0028029000000000 ] - [ 0.0000876600000000, 0.0001205200000000, -0.0002707700000000 ] - [ 0.0026440700000000, -0.0012819600000000, -0.0026396000000000 ] - [ -0.0012507100000000, -0.0001882200000000, -0.0000320900000000 ] - [ 0.0057818700000000, -0.0047295000000000, -0.0023211700000000 ] - [ -0.0012639600000000, -0.0006873300000000, 0.0004992800000000 ] - [ 0.0024741800000000, 0.0080356300000000, 0.0005407300000000 ] - [ -0.0009444500000000, 0.0001446800000000, -0.0000477900000000 ] - [ -0.0058861200000000, 0.0018435900000000, -0.0033773700000000 ] - [ -0.0004363500000000, 0.0000149300000000, -0.0024614400000000 ] - [ 0.0000826900000000, -0.0002831700000000, -0.0010410500000000 ] - [ -0.0003935500000000, -0.0001596600000000, 0.0004505100000000 ] - [ 0.0195774100000000, 0.0034871000000000, 0.0400162200000000 ] - [ -0.0005350900000000, 0.0004106700000000, -0.0001566000000000 ] - [ 0.0015324400000000, 0.0001763300000000, 0.0002362700000000 ] - [ -0.0011296200000000, 0.0009082200000000, 0.0011183400000000 ] - [ -0.0007518200000000, 0.0034306700000000, 0.0009662000000000 ] - [ -0.0008283700000000, 0.0000418600000000, -0.0003634600000000 ] - [ -0.0006479800000000, 0.0009268900000000, 0.0000822300000000 ] - [ 0.0008691600000000, 0.0009970700000000, -0.0013490800000000 ] - [ -0.0004669500000000, -0.0043331200000000, 0.0055927600000000 ] - [ -0.0009082400000000, -0.0000423300000000, -0.0005567600000000 ] - [ 0.0013420300000000, 0.0005019800000000, 0.0006011100000000 ] - [ -0.0002934800000000, 0.0001432900000000, -0.0008095000000000 ] - [ 0.0097010200000000, -0.0028484200000000, -0.0074795800000000 ] - [ -0.0012107200000000, -0.0000297100000000, 0.0001978900000000 ] - [ 0.0004205600000000, 0.0009146600000000, 0.0026021800000000 ] - [ 0.0008931700000000, -0.0034041300000000, 0.0047950300000000 ] - [ -0.0000776100000000, -0.0015197800000000, -0.0013068800000000 ] - [ -0.0006590600000000, 0.0005659400000000, -0.0026958000000000 ] - [ 0.0000032300000000, 0.0015964800000000, -0.0025323100000000 ] - [ -0.0010663000000000, -0.0004096900000000, -0.0008019800000000 ] - [ 0.0010015000000000, -0.0007865700000000, 0.0030444400000000 ] - [ -0.0006606000000000, 0.0003518300000000, -0.0010026800000000 ] - [ 0.0081226300000000, -0.1197891600000000, 0.1805505800000000 ] - [ -0.0009404600000000, -0.0000712300000000, 0.0002954800000000 ] - [ 0.0037528500000000, -0.0078231800000000, -0.0036704600000000 ] - [ -0.0012242700000000, 0.0000859100000000, -0.0012048300000000 ] - [ -0.0128314800000000, -0.0286997000000000, 0.0246115200000000 ] - [ 0.0015361500000000, -0.0003219900000000, -0.0004341800000000 ] - [ -0.0000555100000000, 0.0000231200000000, 0.0002807400000000 ] - [ -0.0000982000000000, -0.0012481000000000, 0.0012405700000000 ] - [ -0.0001240600000000, 0.0001537200000000, 0.0006404900000000 ] - [ 0.0011271600000000, -0.0003858300000000, 0.0020735400000000 ] - [ -0.0436296800000000, 0.1619546100000000, -0.2790087900000000 ] - [ -0.0000567300000000, 0.0003814900000000, 0.0000598000000000 ] - [ -0.0014017100000000, -0.0005575900000000, 0.0003565600000000 ] - [ -0.0008208800000000, -0.0003829700000000, 0.0001807800000000 ] - [ -0.0005975200000000, -0.0009944800000000, 0.0018408700000000 ] - [ 0.0007112400000000, -0.0001930900000000, 0.0000097600000000 ] - [ 0.0003643500000000, -0.0020425900000000, 0.0004371500000000 ] - [ 0.0001772000000000, -0.0001182800000000, -0.0001764000000000 ] - [ -0.0007797400000000, 0.0002426800000000, -0.0013685700000000 ] - [ 0.0006281600000000, 0.0010489000000000, -0.0009573200000000 ] - [ -0.0040511200000000, -0.0026506000000000, 0.0031957000000000 ] - [ 0.0002917600000000, -0.0002322700000000, 0.0000311200000000 ] - [ -0.0006848600000000, 0.0018830600000000, -0.0010282000000000 ] - [ 0.0007481400000000, 0.0006969400000000, 0.0000549800000000 ] - [ 0.0000543900000000, 0.0015769200000000, 0.0004921900000000 ] - [ 0.0005779700000000, 0.0002007900000000, 0.0008406400000000 ] - [ 0.0000650400000000, 0.0007693100000000, 0.0004605300000000 ] - [ 0.0011985400000000, -0.0003985800000000, 0.0006151800000000 ] - [ 0.0005173600000000, 0.0053286400000000, 0.0072710000000000 ] - [ 0.0011347700000000, -0.0007511200000000, 0.0006488600000000 ] - [ -0.0005517600000000, 0.0000052100000000, -0.0012078300000000 ] - [ 0.0002264100000000, 0.0002381400000000, 0.0000897700000000 ] - [ -0.0092136300000000, -0.0135494700000000, 0.0140642200000000 ] - [ 0.0015624700000000, 0.0002941000000000, -0.0003800900000000 ] - [ -0.0018457200000000, 0.0022194300000000, 0.0014905000000000 ] - [ 0.0006708800000000, -0.0000170100000000, 0.0009140500000000 ] - [ 0.0004166600000000, -0.0011796500000000, 0.0015639200000000 ] - [ 0.0006523600000000, -0.0004231400000000, 0.0002335900000000 ] - [ -0.0018065200000000, 0.0020367200000000, 0.0040004300000000 ] - [ 0.0001737300000000, -0.0003014400000000, 0.0001301600000000 ] - [ 0.0265435500000000, -0.0095946100000000, 0.0208949500000000 ] - [ 0.0009845900000000, 0.0004267200000000, 0.0008884800000000 ] - [ 0.0014123700000000, -0.0005202400000000, -0.0017155100000000 ] - [ -0.0016915000000000, -0.0001067000000000, -0.0015813200000000 ] - [ 0.0001508500000000, -0.0001656100000000, -0.0007474700000000 ] - [ 0.0003413300000000, 0.0003594800000000, 0.0005550000000000 ] - [ -0.0016108800000000, -0.0003983900000000, -0.0016592000000000 ] - [ -0.0000606200000000, 0.0001764700000000, -0.0002422600000000 ] - [ -0.0029684900000000, 0.0010711800000000, 0.0042180900000000 ] - [ 0.0004259500000000, 0.0001893800000000, 0.0004343200000000 ] - [ -0.0018432100000000, 0.0025234100000000, 0.0001518400000000 ] - [ 0.0004889200000000, -0.0000260200000000, 0.0009084500000000 ] - [ -0.0007058500000000, -0.0016558700000000, 0.0012666700000000 ] - [ -0.0003575900000000, 0.0008626100000000, 0.0007403800000000 ] - [ 0.0009442100000000, 0.0020341000000000, 0.0003689200000000 ] - [ -0.0005129700000000, 0.0003049200000000, 0.0006795500000000 ] - [ -0.0020930900000000, 0.0004135200000000, 0.0013085000000000 ] - [ 0.0013291400000000, -0.0003356800000000, 0.0008525600000000 ] - [ 0.0035492100000000, 0.0010324900000000, -0.0089078400000000 ] - [ 0.0001269500000000, 0.0002879400000000, 0.0001404000000000 ] - [ 0.0005550300000000, -0.0004121900000000, -0.0017061800000000 ] - [ 0.0000269200000000, -0.0002867300000000, 0.0005623000000000 ] - [ -0.0005075600000000, 0.0003168000000000, -0.0003027200000000 ] - [ -0.0017948900000000, 0.0007311600000000, -0.0025410000000000 ] - [ -0.0003738000000000, -0.0000579800000000, -0.0009689400000000 ] - [ 0.0045161200000000, 0.0020063300000000, -0.0045377100000000 ] - [ -0.0005321400000000, -0.0000903300000000, 0.0005071900000000 ] - [ 0.0005111700000000, -0.0003585900000000, 0.0006189400000000 ]- atom: 47 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ -0.0011548400000000, -0.0010510200000000, 0.0015200900000000 ] - [ 0.0012100400000000, -0.0001998800000000, 0.0001247800000000 ] - [ 0.0005064400000000, 0.0007246600000000, -0.0028937200000000 ] - [ 0.0008062900000000, 0.0000548600000000, 0.0002271700000000 ] - [ -0.0035611100000000, 0.0011110300000000, 0.0026812400000000 ] - [ 0.0003563100000000, 0.0000112400000000, 0.0000734600000000 ] - [ -0.0060723000000000, 0.0036174100000000, 0.0032182800000000 ] - [ 0.0009526500000000, -0.0003955000000000, 0.0003893800000000 ] - [ -0.0030699800000000, -0.0079093800000000, -0.0004069500000000 ] - [ 0.0003800000000000, -0.0000739400000000, 0.0001456600000000 ] - [ 0.0064572800000000, -0.0019126900000000, 0.0032748100000000 ] - [ 0.0010138600000000, -0.0000892500000000, 0.0023664000000000 ] - [ 0.0002314700000000, -0.0007999300000000, 0.0001498400000000 ] - [ 0.0007048300000000, -0.0009205000000000, -0.0013441800000000 ] - [ -0.0212630400000000, -0.0022850700000000, -0.0406463600000000 ] - [ 0.0002220600000000, 0.0006712000000000, 0.0010492800000000 ] - [ -0.0009659500000000, -0.0001130200000000, -0.0003400700000000 ] - [ 0.0016984400000000, -0.0008333200000000, -0.0012203400000000 ] - [ 0.0001824700000000, -0.0035036100000000, -0.0008762900000000 ] - [ 0.0002628100000000, -0.0001088200000000, 0.0004644300000000 ] - [ 0.0009637700000000, 0.0001554700000000, -0.0009709700000000 ] - [ -0.0005516900000000, 0.0000901200000000, 0.0004641400000000 ] - [ -0.0003789000000000, 0.0045511200000000, -0.0054877800000000 ] - [ 0.0000146600000000, 0.0002149900000000, 0.0005990600000000 ] - [ -0.0011846800000000, -0.0005293400000000, -0.0018797300000000 ] - [ 0.0004487000000000, -0.0001763800000000, -0.0004557200000000 ] - [ -0.0098487400000000, 0.0028640400000000, 0.0087380600000000 ] - [ 0.0010542600000000, 0.0000659800000000, 0.0010709700000000 ] - [ -0.0004308400000000, -0.0003588800000000, -0.0013804600000000 ] - [ -0.0009043000000000, 0.0039259200000000, -0.0035311000000000 ] - [ 0.0000772100000000, 0.0009638000000000, 0.0025382900000000 ] - [ 0.0006568600000000, -0.0011209100000000, 0.0039099900000000 ] - [ 0.0001449400000000, -0.0015573000000000, 0.0012693800000000 ] - [ 0.0012293300000000, 0.0004490600000000, -0.0004689800000000 ] - [ -0.0010166900000000, 0.0013567200000000, -0.0042809300000000 ] - [ 0.0006704700000000, 0.0002037800000000, -0.0002198900000000 ] - [ -0.0064310900000000, 0.1135894500000000, -0.1744410300000000 ] - [ 0.0007916200000000, 0.0000384800000000, 0.0009757100000000 ] - [ -0.0037443700000000, 0.0072872100000000, 0.0024320500000000 ] - [ 0.0012310900000000, -0.0006414000000000, -0.0000229300000000 ] - [ 0.0144747800000000, 0.0275241000000000, -0.0248933100000000 ] - [ 0.0004405900000000, -0.0002312600000000, -0.0004251600000000 ] - [ -0.0009500700000000, -0.0009987300000000, -0.0004925200000000 ] - [ -0.0009008200000000, 0.0002777800000000, -0.0014485900000000 ] - [ 0.0003348300000000, 0.0002527300000000, -0.0013100700000000 ] - [ -0.0009265300000000, 0.0007770000000000, -0.0027413800000000 ] - [ 0.0422359800000000, -0.1547118500000000, 0.2747786100000000 ] - [ -0.0006479700000000, 0.0004476500000000, -0.0006779800000000 ] - [ -0.0005807000000000, 0.0000021500000000, 0.0005060500000000 ] - [ -0.0011620300000000, -0.0001720300000000, 0.0006798200000000 ] - [ 0.0008822400000000, 0.0003622900000000, -0.0019301900000000 ] - [ -0.0004390500000000, -0.0004455600000000, -0.0000923000000000 ] - [ -0.0012700900000000, 0.0015218000000000, -0.0013782200000000 ] - [ -0.0011030600000000, -0.0003896600000000, -0.0007583300000000 ] - [ 0.0010186400000000, -0.0000934100000000, 0.0002862600000000 ] - [ -0.0004018100000000, -0.0008913700000000, -0.0001469600000000 ] - [ 0.0037839800000000, 0.0020292400000000, -0.0031182000000000 ] - [ -0.0005722400000000, -0.0004001200000000, 0.0000554300000000 ] - [ 0.0016759000000000, -0.0009164300000000, 0.0012290500000000 ] - [ 0.0002423200000000, 0.0002654100000000, 0.0001496600000000 ] - [ 0.0003872100000000, -0.0010108800000000, 0.0007870800000000 ] - [ -0.0001342100000000, 0.0003730100000000, 0.0004261900000000 ] - [ 0.0001630800000000, -0.0009255800000000, -0.0015634600000000 ] - [ -0.0009615200000000, 0.0002442900000000, -0.0017062600000000 ] - [ 0.0004524300000000, -0.0063453100000000, -0.0071299800000000 ] - [ -0.0001390600000000, -0.0002196100000000, -0.0004461700000000 ] - [ 0.0008142100000000, 0.0006246400000000, 0.0011318600000000 ] - [ 0.0000509500000000, 0.0003949300000000, -0.0001749800000000 ] - [ 0.0112371000000000, 0.0143094400000000, -0.0150654200000000 ] - [ 0.0004281100000000, 0.0002603800000000, -0.0004879000000000 ] - [ 0.0016320800000000, -0.0023934300000000, -0.0003914100000000 ] - [ -0.0008919900000000, -0.0001328100000000, 0.0001834600000000 ] - [ 0.0002903800000000, 0.0003532300000000, -0.0009473600000000 ] - [ 0.0000502200000000, -0.0004038900000000, 0.0003805100000000 ] - [ 0.0011039900000000, -0.0028562800000000, -0.0046125600000000 ] - [ -0.0008800300000000, -0.0005236400000000, -0.0007442000000000 ] - [ -0.0252182100000000, 0.0099957500000000, -0.0198834800000000 ] - [ -0.0000715800000000, 0.0000798100000000, 0.0000369300000000 ] - [ -0.0012023100000000, 0.0001204300000000, 0.0010599900000000 ] - [ 0.0018921400000000, -0.0002911200000000, 0.0009133800000000 ] - [ 0.0005506900000000, 0.0009920200000000, 0.0013632500000000 ] - [ 0.0003625300000000, 0.0004582700000000, 0.0000487400000000 ] - [ 0.0006907600000000, 0.0009119500000000, 0.0007345400000000 ] - [ -0.0008599600000000, 0.0003312000000000, -0.0006904600000000 ] - [ 0.0027507700000000, -0.0006838400000000, -0.0035577100000000 ] - [ -0.0006407600000000, 0.0002136800000000, 0.0002351000000000 ] - [ 0.0016319200000000, -0.0023773300000000, 0.0009344800000000 ] - [ -0.0007167300000000, 0.0001783800000000, 0.0001848500000000 ] - [ -0.0012759700000000, 0.0022049600000000, -0.0004086300000000 ] - [ -0.0016386600000000, -0.0003066300000000, 0.0001239700000000 ] - [ -0.0013885100000000, -0.0014581600000000, -0.0016372400000000 ] - [ 0.0000595000000000, 0.0002780300000000, -0.0019408100000000 ] - [ 0.0030224200000000, -0.0009167300000000, -0.0003776800000000 ] - [ -0.0004086900000000, -0.0001755700000000, 0.0000787100000000 ] - [ -0.0037989200000000, -0.0002261500000000, 0.0088723400000000 ] - [ -0.0004055000000000, 0.0003362600000000, -0.0000585900000000 ] - [ -0.0007649000000000, 0.0000078600000000, 0.0023780200000000 ] - [ -0.0002378700000000, -0.0001130000000000, 0.0000928100000000 ] - [ -0.0004858400000000, 0.0006465100000000, 0.0000958100000000 ] - [ 0.0007960500000000, 0.0002345300000000, 0.0023171800000000 ] - [ -0.0000676400000000, -0.0005119000000000, -0.0003033700000000 ] - [ -0.0049158000000000, -0.0025568400000000, 0.0032508700000000 ] - [ 0.0009839800000000, -0.0004837700000000, 0.0007614900000000 ] - [ -0.0000701000000000, -0.0002132400000000, 0.0006494000000000 ]- atom: 51 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0035900900000000, -0.0016966800000000, 0.0023977500000000 ] - [ -0.0006278300000000, -0.0001094800000000, -0.0003058400000000 ] - [ 0.0015332800000000, -0.0018978600000000, 0.0036898300000000 ] - [ -0.0007058100000000, 0.0003103000000000, -0.0010416700000000 ] - [ 0.0569262200000000, -0.0230972000000000, -0.0378167200000000 ] - [ -0.0019824400000000, -0.0003020900000000, -0.0003550500000000 ] - [ -0.0015065100000000, -0.0002345000000000, -0.0009948800000000 ] - [ -0.0009658600000000, -0.0006665400000000, 0.0008233700000000 ] - [ -0.0019176600000000, -0.0005749900000000, -0.0022882800000000 ] - [ -0.0017356400000000, 0.0000114200000000, 0.0007438800000000 ] - [ -0.0033506100000000, -0.0061399300000000, 0.0069232100000000 ] - [ -0.0011406500000000, -0.0000076400000000, -0.0008723700000000 ] - [ 0.0005306600000000, 0.0001728300000000, -0.0023824900000000 ] - [ -0.0010954100000000, -0.0008033900000000, -0.0005808800000000 ] - [ -0.0010844100000000, 0.0009876200000000, 0.0010838500000000 ] - [ -0.0003652000000000, -0.0012612300000000, -0.0015243500000000 ] - [ 0.0027797900000000, 0.0008262900000000, 0.0009100600000000 ] - [ -0.0008267300000000, 0.0000586400000000, -0.0005023200000000 ] - [ -0.0000436100000000, -0.0002088500000000, 0.0005679400000000 ] - [ -0.0012424100000000, 0.0005695700000000, -0.0007722600000000 ] - [ -0.0050155000000000, 0.0056208300000000, 0.0015686000000000 ] - [ -0.0010802800000000, 0.0001642200000000, -0.0012087900000000 ] - [ 0.0010846800000000, -0.0004211400000000, 0.0008740400000000 ] - [ -0.0013315700000000, -0.0000282100000000, -0.0004827500000000 ] - [ 0.0031054700000000, 0.0015623200000000, 0.0021104100000000 ] - [ -0.0015938400000000, 0.0000224600000000, -0.0014306800000000 ] - [ -0.0013573100000000, 0.0040748300000000, 0.0022126500000000 ] - [ -0.0016552500000000, -0.0001346600000000, 0.0000209400000000 ] - [ 0.0061969000000000, 0.0018825600000000, 0.0046083100000000 ] - [ -0.0017568300000000, 0.0002141400000000, -0.0007258700000000 ] - [ 0.0033488500000000, -0.0006234000000000, 0.0005008300000000 ] - [ -0.0018139100000000, -0.0000422100000000, 0.0001295300000000 ] - [ 0.0709255200000000, -0.0603980700000000, -0.0240660400000000 ] - [ -0.0019047100000000, 0.0000862100000000, -0.0011435800000000 ] - [ 0.0001192700000000, -0.0000556400000000, -0.0010348800000000 ] - [ -0.0008277400000000, 0.0010424200000000, -0.0009540600000000 ] - [ 0.0061275900000000, 0.0023548400000000, 0.0003492300000000 ] - [ -0.0014217200000000, -0.0000762000000000, -0.0001534500000000 ] - [ -0.0069472900000000, -0.0020189700000000, -0.0046983600000000 ] - [ -0.0045710400000000, 0.0028119200000000, -0.0033308300000000 ] - [ 0.0003881400000000, -0.0010741300000000, 0.0025733900000000 ] - [ 0.0015933100000000, -0.0001990600000000, -0.0005199900000000 ] - [ -0.0009290100000000, -0.0018201200000000, 0.0004337600000000 ] - [ 0.0002175800000000, -0.0001671700000000, 0.0002637300000000 ] - [ -0.0008740400000000, 0.0004735000000000, 0.0001978300000000 ] - [ 0.0007419600000000, 0.0000264400000000, -0.0002532600000000 ] - [ -0.0016975400000000, 0.0001039400000000, -0.0016853100000000 ] - [ 0.0000799800000000, 0.0004264400000000, 0.0005105500000000 ] - [ -0.0018519500000000, -0.0014234900000000, 0.0001196400000000 ] - [ -0.0001158600000000, -0.0002451300000000, 0.0004682100000000 ] - [ -0.1402057600000000, 0.1084720600000000, 0.0839611200000000 ] - [ 0.0009957700000000, -0.0005057100000000, -0.0000723600000000 ] - [ -0.0066785100000000, 0.0177735900000000, 0.0075354700000000 ] - [ 0.0008340200000000, -0.0001241700000000, 0.0001241800000000 ] - [ -0.0033772000000000, 0.0004362200000000, -0.0081453500000000 ] - [ 0.0015430100000000, 0.0003173600000000, 0.0003092700000000 ] - [ -0.0008093800000000, -0.0016642000000000, -0.0000300300000000 ] - [ 0.0004916900000000, -0.0001876600000000, 0.0000639900000000 ] - [ 0.0007781600000000, 0.0004356000000000, 0.0006060000000000 ] - [ 0.0005761300000000, 0.0004133000000000, -0.0000251500000000 ] - [ 0.0023178100000000, 0.0023288200000000, 0.0003327900000000 ] - [ 0.0008244800000000, -0.0009388500000000, 0.0017709400000000 ] - [ -0.0020946900000000, 0.0002027100000000, -0.0014451400000000 ] - [ 0.0013678000000000, -0.0003113600000000, 0.0000187200000000 ] - [ 0.0024498800000000, -0.0013953300000000, 0.0008567300000000 ] - [ 0.0060657400000000, -0.0011685300000000, 0.0021008200000000 ] - [ -0.0007180500000000, -0.0004482700000000, -0.0007761800000000 ] - [ 0.0007155900000000, 0.0003773400000000, 0.0001329700000000 ] - [ 0.0020099100000000, -0.0005238300000000, -0.0012101600000000 ] - [ 0.0017353500000000, 0.0004571200000000, -0.0003164800000000 ] - [ 0.0103690100000000, 0.0030714800000000, -0.0021946300000000 ] - [ 0.0025598500000000, -0.0002949700000000, 0.0021477100000000 ] - [ -0.0093833200000000, -0.0093959700000000, 0.0001870300000000 ] - [ 0.0011472600000000, -0.0005093500000000, 0.0009304600000000 ] - [ 0.0017487600000000, -0.0042505800000000, -0.0001433500000000 ] - [ 0.0003055700000000, -0.0000948200000000, 0.0000750500000000 ] - [ -0.0048457900000000, 0.0010541600000000, -0.0034746400000000 ] - [ 0.0015214600000000, 0.0003925800000000, 0.0011009300000000 ] - [ 0.0002749100000000, -0.0006598100000000, -0.0034292700000000 ] - [ 0.0007513700000000, 0.0000055300000000, 0.0003291300000000 ] - [ -0.0007040200000000, -0.0016092500000000, -0.0044218500000000 ] - [ 0.0010177800000000, 0.0005523800000000, 0.0010561100000000 ] - [ -0.0025731500000000, 0.0008435100000000, -0.0023142600000000 ] - [ 0.0007484100000000, -0.0000956400000000, 0.0003233900000000 ] - [ 0.0010830000000000, 0.0009532500000000, 0.0015804600000000 ] - [ 0.0024173800000000, 0.0003621900000000, 0.0007239400000000 ] - [ -0.0006838100000000, 0.0009305700000000, 0.0009506400000000 ] - [ 0.0007175600000000, -0.0001745100000000, 0.0009504100000000 ] - [ 0.0198967900000000, -0.0314045700000000, -0.0227708500000000 ] - [ 0.0002426300000000, 0.0003047300000000, 0.0004387800000000 ] - [ -0.0002261500000000, 0.0020257800000000, -0.0007810200000000 ] - [ 0.0007159700000000, 0.0000025500000000, -0.0005419600000000 ] - [ 0.0014705200000000, -0.0038894600000000, -0.0016661400000000 ] - [ 0.0015004600000000, -0.0003266400000000, 0.0010419500000000 ] - [ -0.0013752700000000, 0.0000699600000000, -0.0005530600000000 ] - [ 0.0002666300000000, 0.0003075300000000, 0.0003474400000000 ] - [ 0.0000238700000000, -0.0001328800000000, 0.0003505600000000 ] - [ -0.0000502300000000, -0.0004951000000000, 0.0007050900000000 ] - [ -0.0017748500000000, 0.0011177600000000, -0.0005178100000000 ] - [ 0.0002287100000000, 0.0003086100000000, 0.0004098100000000 ] - [ -0.0018290900000000, -0.0001325900000000, -0.0005036200000000 ] - [ 0.0003361200000000, -0.0003139700000000, -0.0003978100000000 ] - [ 0.0004568100000000, 0.0001836600000000, 0.0010384900000000 ] - [ 0.0008700000000000, -0.0007280400000000, 0.0002741600000000 ]- atom: 51 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ -0.0027138700000000, 0.0014502000000000, -0.0024480300000000 ] - [ 0.0015189100000000, -0.0000708300000000, 0.0002585500000000 ] - [ -0.0006449500000000, 0.0020894800000000, -0.0037578000000000 ] - [ 0.0015961400000000, -0.0001257500000000, 0.0009919200000000 ] - [ -0.0599014400000000, 0.0243522400000000, 0.0401674500000000 ] - [ 0.0010924300000000, 0.0001188800000000, 0.0004035700000000 ] - [ 0.0012011000000000, -0.0008556200000000, 0.0018995700000000 ] - [ 0.0006551000000000, -0.0004210800000000, 0.0000721300000000 ] - [ 0.0013105000000000, 0.0006768700000000, 0.0023724900000000 ] - [ 0.0011677800000000, 0.0000625800000000, -0.0006472200000000 ] - [ 0.0039635100000000, 0.0061105200000000, -0.0070201800000000 ] - [ 0.0017140800000000, -0.0000647500000000, 0.0007816600000000 ] - [ -0.0001933000000000, -0.0012571900000000, 0.0015423800000000 ] - [ 0.0014073100000000, -0.0002811700000000, -0.0003173700000000 ] - [ 0.0007769700000000, 0.0000962400000000, -0.0001949600000000 ] - [ 0.0000559600000000, 0.0023405400000000, 0.0024136600000000 ] - [ -0.0022125400000000, -0.0007721800000000, -0.0010089300000000 ] - [ 0.0013967000000000, 0.0000100300000000, 0.0004062400000000 ] - [ -0.0005286500000000, 0.0001418700000000, -0.0004761400000000 ] - [ 0.0006793400000000, -0.0006422900000000, 0.0008682100000000 ] - [ 0.0053285900000000, -0.0045330600000000, -0.0024684300000000 ] - [ 0.0013871200000000, 0.0009256700000000, 0.0003201500000000 ] - [ -0.0019728400000000, 0.0005974500000000, -0.0008288100000000 ] - [ 0.0004430400000000, 0.0002073900000000, 0.0005315500000000 ] - [ -0.0029748300000000, -0.0015969000000000, -0.0033684600000000 ] - [ 0.0017421900000000, -0.0000572300000000, 0.0001692800000000 ] - [ 0.0012095800000000, -0.0040775300000000, -0.0009658600000000 ] - [ 0.0015065400000000, 0.0001653000000000, 0.0012418900000000 ] - [ -0.0062151900000000, -0.0013164200000000, -0.0033953000000000 ] - [ 0.0017500800000000, 0.0003424300000000, 0.0019510700000000 ] - [ -0.0033306800000000, 0.0000416500000000, 0.0007234300000000 ] - [ 0.0018106300000000, -0.0005164400000000, 0.0010895700000000 ] - [ -0.0716490500000000, 0.0611496800000000, 0.0230274300000000 ] - [ 0.0020563900000000, -0.0000484900000000, -0.0001182100000000 ] - [ -0.0001240100000000, 0.0006021000000000, -0.0002061200000000 ] - [ 0.0008339200000000, -0.0004930700000000, -0.0002582800000000 ] - [ -0.0062988500000000, -0.0023827400000000, 0.0009096900000000 ] - [ 0.0012759700000000, 0.0000453100000000, 0.0014169900000000 ] - [ 0.0069939000000000, 0.0014821900000000, 0.0035154800000000 ] - [ 0.0045683400000000, -0.0033229300000000, 0.0021037100000000 ] - [ 0.0015546000000000, 0.0005234300000000, -0.0034333900000000 ] - [ 0.0003550200000000, -0.0003479200000000, -0.0003142800000000 ] - [ -0.0000813500000000, 0.0008193100000000, -0.0006231200000000 ] - [ -0.0012188500000000, -0.0008346200000000, -0.0004591700000000 ] - [ 0.0010826300000000, -0.0000638500000000, -0.0008762900000000 ] - [ -0.0005340200000000, 0.0003737900000000, -0.0004189100000000 ] - [ 0.0010010700000000, 0.0006940700000000, 0.0010824400000000 ] - [ -0.0007793400000000, 0.0003715100000000, -0.0011121200000000 ] - [ -0.0000834000000000, 0.0008862700000000, 0.0007016500000000 ] - [ -0.0018317400000000, -0.0003006300000000, 0.0003676100000000 ] - [ 0.1433578600000000, -0.1110039600000000, -0.0862629600000000 ] - [ -0.0006829400000000, -0.0001397300000000, -0.0000139600000000 ] - [ 0.0058459200000000, -0.0181818000000000, -0.0084979900000000 ] - [ -0.0017324500000000, -0.0003420100000000, -0.0010469800000000 ] - [ 0.0036375100000000, -0.0002821100000000, 0.0071165500000000 ] - [ -0.0012945000000000, -0.0001512300000000, -0.0013893500000000 ] - [ 0.0005097600000000, 0.0010467600000000, 0.0001083500000000 ] - [ -0.0008068600000000, -0.0004526800000000, 0.0000221400000000 ] - [ 0.0002272200000000, 0.0005732800000000, -0.0004129600000000 ] - [ 0.0004253500000000, 0.0005932000000000, 0.0002160600000000 ] - [ -0.0018841900000000, -0.0017583300000000, 0.0009308600000000 ] - [ -0.0003868700000000, 0.0015163700000000, -0.0005028700000000 ] - [ 0.0023305900000000, -0.0003516300000000, 0.0003670400000000 ] - [ -0.0011174800000000, 0.0001443600000000, -0.0010970900000000 ] - [ -0.0014603800000000, 0.0003973000000000, -0.0006698000000000 ] - [ -0.0049775100000000, 0.0001489400000000, -0.0018911600000000 ] - [ 0.0010347000000000, 0.0010973300000000, 0.0006901800000000 ] - [ -0.0004008200000000, 0.0002673800000000, -0.0002189600000000 ] - [ -0.0000658000000000, 0.0010780700000000, 0.0003809700000000 ] - [ 0.0002136400000000, 0.0000926900000000, -0.0005193800000000 ] - [ -0.0107654600000000, -0.0032989600000000, 0.0033339800000000 ] - [ -0.0027990200000000, 0.0001187200000000, -0.0010620500000000 ] - [ 0.0099788900000000, 0.0087155800000000, 0.0004354200000000 ] - [ -0.0004476600000000, -0.0002882700000000, -0.0003266000000000 ] - [ -0.0024744800000000, 0.0035006600000000, -0.0004679200000000 ] - [ -0.0010051400000000, -0.0007000300000000, -0.0006782700000000 ] - [ 0.0057198300000000, -0.0006015600000000, 0.0044048300000000 ] - [ -0.0006283500000000, 0.0000730700000000, -0.0001815500000000 ] - [ -0.0000671200000000, 0.0002606900000000, 0.0027637200000000 ] - [ -0.0005428200000000, -0.0004054600000000, -0.0010035700000000 ] - [ 0.0014052300000000, 0.0024018300000000, 0.0050181700000000 ] - [ -0.0003154000000000, 0.0002423300000000, -0.0004518600000000 ] - [ 0.0016818900000000, -0.0003838200000000, 0.0013953700000000 ] - [ -0.0016456600000000, 0.0005610800000000, -0.0012446600000000 ] - [ -0.0012900100000000, -0.0005638500000000, -0.0009244600000000 ] - [ -0.0026278300000000, 0.0000326100000000, -0.0000469800000000 ] - [ 0.0004432700000000, -0.0007525300000000, 0.0001412400000000 ] - [ -0.0009675600000000, 0.0003437800000000, 0.0001269400000000 ] - [ -0.0215978800000000, 0.0314793300000000, 0.0231565900000000 ] - [ -0.0021931800000000, 0.0002394300000000, 0.0003962600000000 ] - [ -0.0002210800000000, -0.0014103700000000, -0.0004824600000000 ] - [ -0.0011726000000000, 0.0005927900000000, -0.0007188900000000 ] - [ -0.0005981500000000, 0.0034541700000000, 0.0026128100000000 ] - [ -0.0006046000000000, -0.0001383800000000, -0.0001203900000000 ] - [ 0.0010617400000000, 0.0005706300000000, 0.0006503200000000 ] - [ -0.0005814500000000, 0.0003324400000000, -0.0002608200000000 ] - [ -0.0002331900000000, -0.0002693100000000, 0.0003341600000000 ] - [ -0.0001615900000000, 0.0001000600000000, -0.0000389000000000 ] - [ 0.0007775500000000, -0.0001260000000000, 0.0003170800000000 ] - [ -0.0012282100000000, 0.0006906200000000, -0.0006016200000000 ] - [ 0.0013828000000000, -0.0004576700000000, -0.0007506700000000 ] - [ -0.0007856500000000, -0.0002734200000000, -0.0008676300000000 ] - [ 0.0000031700000000, -0.0007645000000000, 0.0002333300000000 ] - [ -0.0004195200000000, 0.0001377800000000, 0.0009880200000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025165700000000, -0.0102795300000000, -0.0007033100000000 ] - [ 0.0007870400000000, -0.0001771700000000, 0.0001058800000000 ] - [ 0.0007264400000000, 0.0023356400000000, -0.0016133300000000 ] - [ 0.0007459600000000, 0.0002740000000000, 0.0002218800000000 ] - [ -0.0224433800000000, 0.0079661400000000, 0.0135091400000000 ] - [ -0.0001498600000000, 0.0000582900000000, 0.0000678000000000 ] - [ 0.0010488500000000, -0.0009101000000000, 0.0024274500000000 ] - [ -0.0008167900000000, -0.0007208200000000, 0.0003166400000000 ] - [ -0.0052529300000000, 0.0040585700000000, -0.0028605400000000 ] - [ 0.0003783000000000, 0.0004355500000000, -0.0003802600000000 ] - [ -0.0071917600000000, 0.0076724300000000, 0.0056185300000000 ] - [ 0.0006917700000000, 0.0002178200000000, 0.0001968400000000 ] - [ 0.0036875200000000, -0.0001239500000000, 0.0078969400000000 ] - [ 0.0002948900000000, -0.0003171900000000, -0.0007237500000000 ] - [ 0.0007770800000000, 0.0005899400000000, 0.0005672800000000 ] - [ -0.0023663900000000, -0.0000188300000000, -0.0000683600000000 ] - [ -0.0013712000000000, -0.0038501600000000, -0.0021730900000000 ] - [ 0.0005465100000000, -0.0001935100000000, -0.0001764600000000 ] - [ -0.0004744100000000, -0.0008131900000000, -0.0004323300000000 ] - [ 0.0006142600000000, -0.0009492900000000, 0.0004132700000000 ] - [ 0.0047876900000000, -0.0030153500000000, -0.0017309700000000 ] - [ -0.0003222900000000, 0.0005712800000000, -0.0000136000000000 ] - [ -0.0002544800000000, -0.0032129600000000, -0.0000083300000000 ] - [ -0.0002465700000000, -0.0001239200000000, 0.0001392100000000 ] - [ -0.0022861600000000, -0.0026292900000000, -0.0010604800000000 ] - [ 0.0003582500000000, -0.0003029800000000, -0.0004795200000000 ] - [ 0.0053478700000000, -0.0085085700000000, 0.0026161700000000 ] - [ 0.0000243300000000, -0.0004177700000000, 0.0006593600000000 ] - [ -0.0028625500000000, 0.0038452000000000, -0.0041172800000000 ] - [ 0.0002661500000000, 0.0009901700000000, 0.0010721800000000 ] - [ 0.0004419900000000, -0.0071225300000000, 0.0017614700000000 ] - [ 0.0006480300000000, -0.0009596200000000, 0.0007225600000000 ] - [ -0.0528797600000000, 0.2972295100000000, 0.0781292900000000 ] - [ 0.0005382500000000, 0.0002050000000000, -0.0004415500000000 ] - [ -0.0012264900000000, -0.0013791600000000, -0.0025902200000000 ] - [ -0.0000928300000000, -0.0012912400000000, 0.0003313300000000 ] - [ 0.0027588600000000, 0.0044481600000000, 0.0044586100000000 ] - [ -0.0000477000000000, 0.0005079000000000, 0.0005037400000000 ] - [ 0.0021228800000000, 0.0017497400000000, 0.0019307400000000 ] - [ 0.0007096000000000, 0.0044499600000000, 0.0006495100000000 ] - [ -0.0002415200000000, -0.0024306500000000, -0.0018870600000000 ] - [ 0.0009723800000000, -0.0006031600000000, -0.0002615200000000 ] - [ -0.0007089400000000, 0.0024463500000000, -0.0003118900000000 ] - [ -0.0006185200000000, -0.0001969600000000, -0.0004020500000000 ] - [ 0.0010845700000000, 0.0027367600000000, -0.0010603500000000 ] - [ -0.0002576100000000, 0.0004311100000000, -0.0003798300000000 ] - [ -0.0015457100000000, 0.0004975600000000, -0.0015468600000000 ] - [ -0.0000831400000000, 0.0003294000000000, -0.0000489200000000 ] - [ 0.0003870500000000, 0.0025424700000000, -0.0007941000000000 ] - [ -0.0010820700000000, -0.0001656800000000, 0.0004803200000000 ] - [ 0.1073030400000000, -0.3726749200000000, -0.1285972500000000 ] - [ -0.0000270500000000, -0.0004202200000000, -0.0000662200000000 ] - [ 0.0064411100000000, 0.0203432900000000, 0.0129608700000000 ] - [ -0.0008319300000000, -0.0003111700000000, -0.0006187300000000 ] - [ 0.0005869400000000, -0.0028028600000000, 0.0047586500000000 ] - [ -0.0001662400000000, -0.0001156600000000, -0.0007512400000000 ] - [ 0.0011883900000000, 0.0046515100000000, -0.0018173900000000 ] - [ -0.0002876300000000, -0.0000699200000000, -0.0000297900000000 ] - [ 0.0010519500000000, 0.0016530700000000, 0.0000225400000000 ] - [ 0.0008532200000000, 0.0015199900000000, 0.0000496600000000 ] - [ -0.0004460100000000, -0.0006418000000000, 0.0006255600000000 ] - [ -0.0018590000000000, -0.0009816000000000, 0.0007059200000000 ] - [ -0.0011447600000000, 0.0037311500000000, -0.0003120200000000 ] - [ -0.0003368500000000, 0.0001437600000000, -0.0007403800000000 ] - [ -0.0000348900000000, -0.0008787800000000, -0.0004103900000000 ] - [ 0.0029638000000000, -0.0034327900000000, -0.0002841100000000 ] - [ 0.0009248800000000, 0.0024514500000000, 0.0000985600000000 ] - [ 0.0001011500000000, 0.0004875100000000, -0.0001318400000000 ] - [ -0.0007208500000000, 0.0021213900000000, -0.0000314700000000 ] - [ 0.0010295300000000, 0.0006907500000000, -0.0004231600000000 ] - [ -0.0030858200000000, -0.0018062600000000, 0.0014143800000000 ] - [ -0.0004702000000000, -0.0011073700000000, 0.0002701100000000 ] - [ -0.0074725200000000, 0.0277897900000000, -0.0023352000000000 ] - [ 0.0001755100000000, -0.0004074100000000, 0.0001988700000000 ] - [ -0.0038148000000000, 0.0038846700000000, -0.0014432600000000 ] - [ -0.0002265200000000, -0.0003149900000000, -0.0001617500000000 ] - [ -0.0001671000000000, 0.0014910300000000, -0.0083018700000000 ] - [ 0.0003221400000000, 0.0001438800000000, 0.0004353400000000 ] - [ 0.0001223200000000, -0.0007632100000000, 0.0015672700000000 ] - [ -0.0001327900000000, -0.0004814500000000, -0.0006944300000000 ] - [ 0.0006765500000000, 0.0016855000000000, 0.0029831300000000 ] - [ 0.0003671800000000, 0.0003862000000000, 0.0002167600000000 ] - [ 0.0007129200000000, 0.0003351000000000, 0.0002249000000000 ] - [ -0.0008204500000000, 0.0003481700000000, -0.0006591400000000 ] - [ 0.0005759500000000, -0.0006928500000000, -0.0010196600000000 ] - [ -0.0018278200000000, -0.0011627600000000, -0.0005037200000000 ] - [ 0.0006555300000000, 0.0021852800000000, 0.0021382700000000 ] - [ -0.0004881300000000, 0.0004710900000000, 0.0001643800000000 ] - [ -0.0198006400000000, 0.0065516700000000, 0.0144903100000000 ] - [ -0.0011687300000000, 0.0001100800000000, 0.0003965600000000 ] - [ 0.0005612800000000, 0.0034320700000000, -0.0004024200000000 ] - [ -0.0009061600000000, 0.0005824800000000, -0.0006190000000000 ] - [ -0.0047187400000000, 0.0101046400000000, 0.0028342700000000 ] - [ 0.0003070300000000, -0.0001605400000000, 0.0004190200000000 ] - [ -0.0004015100000000, -0.0023775000000000, 0.0006393200000000 ] - [ -0.0001685400000000, 0.0000348400000000, -0.0000875100000000 ] - [ -0.0001001200000000, -0.0001455600000000, 0.0012120100000000 ] - [ -0.0004159000000000, 0.0006621500000000, -0.0006692800000000 ] - [ 0.0006812200000000, -0.0020741000000000, -0.0006372200000000 ] - [ -0.0004851600000000, 0.0000364700000000, -0.0001225100000000 ] - [ 0.0009308400000000, -0.0007115500000000, 0.0027923800000000 ] - [ -0.0005949700000000, -0.0004285900000000, -0.0006090000000000 ] - [ 0.0013824300000000, 0.0009817900000000, 0.0015986000000000 ] - [ -0.0002000100000000, 0.0000777800000000, 0.0007321700000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034241500000000, 0.0101473300000000, 0.0006736600000000 ] - [ 0.0000994800000000, -0.0000045600000000, -0.0001557200000000 ] - [ 0.0001562000000000, -0.0021817100000000, 0.0015908300000000 ] - [ 0.0001415100000000, -0.0000932700000000, -0.0002712900000000 ] - [ 0.0212080800000000, -0.0083459500000000, -0.0131765500000000 ] - [ -0.0007420300000000, -0.0002386200000000, -0.0000199200000000 ] - [ -0.0013604900000000, -0.0001681000000000, -0.0015357500000000 ] - [ 0.0005082200000000, -0.0003572700000000, 0.0005787000000000 ] - [ 0.0047144400000000, -0.0040249400000000, 0.0029644100000000 ] - [ -0.0009489800000000, -0.0003659200000000, 0.0004757800000000 ] - [ 0.0078428300000000, -0.0077182500000000, -0.0057640800000000 ] - [ -0.0001260100000000, -0.0002881000000000, -0.0002963500000000 ] - [ -0.0034064100000000, -0.0009898400000000, -0.0088633300000000 ] - [ 0.0000093900000000, -0.0007742400000000, -0.0001653500000000 ] - [ -0.0010910900000000, 0.0005075900000000, 0.0003268400000000 ] - [ 0.0020533900000000, 0.0011200800000000, 0.0009585000000000 ] - [ 0.0019429200000000, 0.0039343700000000, 0.0020670400000000 ] - [ 0.0000213900000000, 0.0002657400000000, 0.0000829400000000 ] - [ -0.0000896700000000, 0.0007354400000000, 0.0005289300000000 ] - [ -0.0011938200000000, 0.0008814600000000, -0.0003214000000000 ] - [ -0.0044830600000000, 0.0041033200000000, 0.0008401800000000 ] - [ 0.0006337600000000, 0.0005100100000000, -0.0008851300000000 ] - [ -0.0006350800000000, 0.0034149000000000, 0.0000679100000000 ] - [ -0.0006456300000000, 0.0003064400000000, -0.0000926600000000 ] - [ 0.0024572200000000, 0.0025860300000000, -0.0002119100000000 ] - [ -0.0002135200000000, 0.0002702800000000, -0.0007842800000000 ] - [ -0.0054805500000000, 0.0085781400000000, -0.0013546800000000 ] - [ -0.0001784500000000, 0.0004539600000000, 0.0006051400000000 ] - [ 0.0029231600000000, -0.0032766500000000, 0.0053776900000000 ] - [ -0.0002756900000000, -0.0004388100000000, 0.0001471500000000 ] - [ -0.0004741200000000, 0.0065833500000000, -0.0005300700000000 ] - [ -0.0006574400000000, 0.0004066700000000, 0.0004971900000000 ] - [ 0.0577021700000000, -0.3156762900000000, -0.0864703800000000 ] - [ -0.0003962500000000, -0.0001698100000000, -0.0008231200000000 ] - [ 0.0012463700000000, 0.0019416000000000, 0.0013845400000000 ] - [ 0.0000982700000000, 0.0018504000000000, -0.0015656900000000 ] - [ -0.0029124400000000, -0.0044854900000000, -0.0032262600000000 ] - [ -0.0000990500000000, -0.0005399400000000, 0.0007586300000000 ] - [ -0.0021830200000000, -0.0023249200000000, -0.0032082800000000 ] - [ -0.0007007900000000, -0.0050416100000000, -0.0018687800000000 ] - [ 0.0021984600000000, 0.0018889100000000, 0.0010660400000000 ] - [ 0.0009747500000000, 0.0000585600000000, -0.0005718100000000 ] - [ -0.0002858100000000, -0.0034535200000000, 0.0001123200000000 ] - [ -0.0003839400000000, -0.0008038000000000, 0.0002089300000000 ] - [ -0.0008643100000000, -0.0023377400000000, 0.0003922800000000 ] - [ 0.0004678300000000, -0.0000332600000000, -0.0002937800000000 ] - [ 0.0008466000000000, 0.0002959500000000, 0.0009451500000000 ] - [ -0.0006175900000000, 0.0004677300000000, -0.0005558300000000 ] - [ -0.0023509500000000, -0.0030992700000000, 0.0016471500000000 ] - [ -0.0008652000000000, -0.0003787100000000, 0.0003534400000000 ] - [ -0.1117662200000000, 0.3915689800000000, 0.1358729400000000 ] - [ 0.0003435000000000, -0.0002234400000000, -0.0000200600000000 ] - [ -0.0074921100000000, -0.0211267000000000, -0.0142237200000000 ] - [ -0.0000608900000000, -0.0001530600000000, -0.0003010500000000 ] - [ -0.0003574500000000, 0.0029657800000000, -0.0059144500000000 ] - [ 0.0004165000000000, 0.0002833900000000, -0.0003274400000000 ] - [ -0.0015184000000000, -0.0053087100000000, 0.0019080100000000 ] - [ -0.0000251900000000, -0.0005704100000000, 0.0001153300000000 ] - [ -0.0000557200000000, -0.0006571800000000, 0.0001678600000000 ] - [ 0.0001480200000000, -0.0005214800000000, 0.0001466500000000 ] - [ 0.0009188900000000, 0.0012552100000000, 0.0006363200000000 ] - [ 0.0023292400000000, 0.0015873000000000, 0.0005515200000000 ] - [ 0.0014043400000000, -0.0039125400000000, -0.0007785200000000 ] - [ 0.0005919900000000, -0.0003120200000000, -0.0003360400000000 ] - [ 0.0010527700000000, -0.0001315900000000, 0.0006147600000000 ] - [ -0.0019872600000000, 0.0024343100000000, 0.0004827500000000 ] - [ -0.0006176000000000, -0.0018107500000000, -0.0001823500000000 ] - [ 0.0002146200000000, 0.0001555000000000, 0.0000467500000000 ] - [ 0.0026584100000000, -0.0015838900000000, -0.0007975300000000 ] - [ 0.0009239200000000, -0.0001471400000000, -0.0004130500000000 ] - [ 0.0029634100000000, 0.0016879700000000, -0.0003367100000000 ] - [ 0.0002245800000000, 0.0009476200000000, 0.0008092400000000 ] - [ 0.0084034900000000, -0.0292937400000000, 0.0030801200000000 ] - [ 0.0005281300000000, -0.0003895300000000, 0.0004074600000000 ] - [ 0.0031012800000000, -0.0046912500000000, 0.0008322900000000 ] - [ -0.0004731100000000, -0.0004841700000000, -0.0004433800000000 ] - [ 0.0010626600000000, -0.0010596700000000, 0.0091968300000000 ] - [ 0.0005726800000000, 0.0003220000000000, 0.0004853000000000 ] - [ 0.0000735700000000, 0.0003569800000000, -0.0022552700000000 ] - [ 0.0003436100000000, 0.0000826700000000, 0.0000234000000000 ] - [ 0.0000188300000000, -0.0008811400000000, -0.0023798800000000 ] - [ 0.0003340800000000, 0.0004112500000000, 0.0003895700000000 ] - [ -0.0016183500000000, 0.0001420300000000, -0.0011484000000000 ] - [ -0.0000723500000000, 0.0001188700000000, -0.0002600600000000 ] - [ -0.0007854200000000, 0.0011032600000000, 0.0017134800000000 ] - [ 0.0016210600000000, 0.0015708800000000, 0.0011842400000000 ] - [ -0.0009137000000000, -0.0020296400000000, -0.0010755000000000 ] - [ 0.0002434900000000, -0.0003045400000000, 0.0009202100000000 ] - [ 0.0180793700000000, -0.0059717600000000, -0.0138656300000000 ] - [ -0.0007765400000000, 0.0004361900000000, 0.0004386800000000 ] - [ -0.0009993900000000, -0.0028487500000000, -0.0008705000000000 ] - [ 0.0004528400000000, 0.0000078400000000, -0.0006414900000000 ] - [ 0.0055942800000000, -0.0105068400000000, -0.0018810800000000 ] - [ 0.0005915500000000, -0.0003064700000000, 0.0005031900000000 ] - [ 0.0000937600000000, 0.0030322300000000, -0.0005629700000000 ] - [ -0.0001462200000000, 0.0006059200000000, 0.0001744300000000 ] - [ -0.0001112800000000, -0.0002512900000000, -0.0005446100000000 ] - [ 0.0002106300000000, -0.0010657800000000, 0.0013543200000000 ] - [ -0.0016977600000000, 0.0030946500000000, 0.0004458300000000 ] - [ -0.0005156600000000, 0.0009685800000000, -0.0000714600000000 ] - [ -0.0013886100000000, 0.0001073000000000, -0.0040460500000000 ] - [ 0.0001480000000000, -0.0001596900000000, -0.0006564900000000 ] - [ -0.0009455900000000, -0.0015759100000000, -0.0003403400000000 ] - [ 0.0006520900000000, -0.0006652900000000, 0.0005336300000000 ]- atom: 51 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0004039400000000, -0.0030561100000000, 0.0025699900000000 ] - [ 0.0008468700000000, -0.0001439500000000, -0.0000463100000000 ] - [ 0.0029190800000000, 0.0026895700000000, -0.0041219100000000 ] - [ 0.0006391800000000, 0.0000081100000000, 0.0005144100000000 ] - [ -0.0633816900000000, 0.0257945500000000, 0.0444905600000000 ] - [ 0.0001485000000000, 0.0000812300000000, 0.0000262800000000 ] - [ -0.0001727800000000, -0.0001687900000000, 0.0020872100000000 ] - [ 0.0002808300000000, -0.0007919800000000, -0.0004556400000000 ] - [ -0.0029920900000000, 0.0005920100000000, -0.0004507100000000 ] - [ 0.0003625700000000, 0.0003298000000000, -0.0014492100000000 ] - [ 0.0063983600000000, 0.0063810200000000, -0.0030766100000000 ] - [ 0.0007130600000000, 0.0000064900000000, 0.0005417500000000 ] - [ -0.0015646200000000, 0.0007517900000000, -0.0010139900000000 ] - [ 0.0007347300000000, -0.0004258400000000, -0.0008845100000000 ] - [ 0.0004400700000000, 0.0003746000000000, -0.0008236000000000 ] - [ -0.0018577800000000, 0.0007591400000000, 0.0016983300000000 ] - [ -0.0011657800000000, -0.0021595900000000, -0.0011413700000000 ] - [ 0.0005284800000000, 0.0000790900000000, -0.0001403600000000 ] - [ -0.0000979000000000, 0.0000560200000000, -0.0004474300000000 ] - [ -0.0000995800000000, -0.0003309200000000, 0.0007358600000000 ] - [ 0.0067113700000000, -0.0053044300000000, -0.0025545500000000 ] - [ 0.0002302600000000, 0.0007711500000000, 0.0001418200000000 ] - [ -0.0004167100000000, 0.0020088700000000, -0.0006616100000000 ] - [ -0.0003232900000000, 0.0000251500000000, 0.0001803400000000 ] - [ -0.0004794600000000, -0.0014996600000000, -0.0038471100000000 ] - [ 0.0004133200000000, -0.0001123000000000, -0.0003674200000000 ] - [ 0.0040545000000000, -0.0043436600000000, 0.0023996100000000 ] - [ 0.0003573100000000, 0.0000204300000000, 0.0008418800000000 ] - [ -0.0074154000000000, -0.0014443600000000, -0.0085608700000000 ] - [ 0.0000134200000000, 0.0004519700000000, 0.0009224800000000 ] - [ -0.0020913100000000, -0.0007994600000000, 0.0029624500000000 ] - [ 0.0007852800000000, -0.0004130600000000, 0.0006187600000000 ] - [ -0.0489581100000000, 0.1022981100000000, 0.0816152400000000 ] - [ 0.0008401100000000, 0.0000402200000000, -0.0005068600000000 ] - [ -0.0009499300000000, 0.0000867800000000, -0.0017607400000000 ] - [ 0.0001088800000000, -0.0005328300000000, -0.0010460800000000 ] - [ -0.0051937800000000, -0.0017114100000000, -0.0039152400000000 ] - [ -0.0001215700000000, 0.0001485000000000, 0.0006805800000000 ] - [ 0.0060067700000000, 0.0018886600000000, 0.0043211900000000 ] - [ 0.0016071900000000, -0.0007078700000000, 0.0028447000000000 ] - [ 0.0028567400000000, -0.0006259000000000, -0.0001587600000000 ] - [ 0.0010668900000000, -0.0003251400000000, -0.0001479100000000 ] - [ -0.0001560800000000, 0.0010094700000000, -0.0012800600000000 ] - [ -0.0008135400000000, -0.0005920600000000, -0.0003741100000000 ] - [ 0.0012100100000000, 0.0009241000000000, -0.0018610200000000 ] - [ -0.0002514800000000, 0.0002555300000000, -0.0001769900000000 ] - [ 0.0010741100000000, 0.0000419900000000, 0.0025061000000000 ] - [ -0.0001111900000000, 0.0003510900000000, -0.0003948900000000 ] - [ -0.0014793100000000, 0.0003972900000000, 0.0015847200000000 ] - [ -0.0011191400000000, -0.0002671900000000, 0.0004335900000000 ] - [ 0.1353687200000000, -0.1647030600000000, -0.1543021000000000 ] - [ -0.0002017500000000, -0.0002715600000000, 0.0000425500000000 ] - [ 0.0065544800000000, 0.0137097500000000, -0.0033316300000000 ] - [ -0.0009707600000000, -0.0002635500000000, -0.0006078300000000 ] - [ 0.0013857000000000, -0.0014112400000000, 0.0140346700000000 ] - [ -0.0001219900000000, 0.0000058500000000, -0.0007569500000000 ] - [ 0.0000436500000000, 0.0019341500000000, -0.0011341300000000 ] - [ -0.0003916500000000, -0.0003051400000000, 0.0000448300000000 ] - [ 0.0008086900000000, 0.0007753500000000, 0.0000207800000000 ] - [ 0.0006930000000000, 0.0010043600000000, 0.0006063000000000 ] - [ -0.0015766600000000, -0.0014405600000000, 0.0007495300000000 ] - [ 0.0005485800000000, 0.0009305700000000, -0.0006108200000000 ] - [ 0.0006721000000000, -0.0001722100000000, -0.0013815200000000 ] - [ -0.0003216500000000, 0.0000185000000000, -0.0006850900000000 ] - [ -0.0011620700000000, 0.0001742700000000, -0.0006527000000000 ] - [ -0.0008536200000000, -0.0009154500000000, -0.0024718300000000 ] - [ -0.0001702200000000, 0.0004997100000000, 0.0011754000000000 ] - [ 0.0000982100000000, 0.0003818700000000, -0.0001588300000000 ] - [ -0.0005572600000000, 0.0009807900000000, 0.0000602500000000 ] - [ 0.0008253600000000, 0.0003298500000000, -0.0005686400000000 ] - [ -0.0101389500000000, -0.0025487200000000, 0.0014981200000000 ] - [ -0.0011999600000000, -0.0001050700000000, -0.0004601500000000 ] - [ 0.0071879700000000, -0.0120880500000000, -0.0072425400000000 ] - [ 0.0000093000000000, -0.0003704400000000, 0.0001424200000000 ] - [ -0.0022457600000000, 0.0019353600000000, -0.0019896400000000 ] - [ -0.0005799100000000, -0.0004735200000000, -0.0003033300000000 ] - [ 0.0028103300000000, -0.0048727200000000, 0.0098873200000000 ] - [ 0.0003137700000000, 0.0001975000000000, 0.0003764000000000 ] - [ -0.0004367500000000, 0.0008741200000000, 0.0049532300000000 ] - [ 0.0002549800000000, -0.0002890500000000, -0.0007022800000000 ] - [ 0.0006780600000000, 0.0021459200000000, 0.0052659100000000 ] - [ 0.0002646900000000, 0.0003599900000000, 0.0000673300000000 ] - [ 0.0004626400000000, -0.0002621500000000, 0.0010828500000000 ] - [ -0.0007430800000000, 0.0003717000000000, -0.0007139900000000 ] - [ -0.0002287900000000, -0.0006172100000000, -0.0016533100000000 ] - [ -0.0029438200000000, -0.0007909800000000, -0.0009202300000000 ] - [ 0.0007000700000000, 0.0004337700000000, 0.0012821800000000 ] - [ -0.0002585900000000, 0.0002847700000000, 0.0005781700000000 ] - [ -0.0315239900000000, 0.0349852500000000, 0.0165314100000000 ] - [ -0.0014382300000000, 0.0001830200000000, 0.0003883600000000 ] - [ -0.0006724500000000, -0.0007502400000000, -0.0009141300000000 ] - [ -0.0006723000000000, 0.0004890600000000, -0.0007094100000000 ] - [ -0.0035544800000000, 0.0058009100000000, 0.0012669400000000 ] - [ 0.0001866600000000, -0.0002280000000000, 0.0003290000000000 ] - [ -0.0002314500000000, 0.0009697400000000, 0.0020529300000000 ] - [ -0.0000419400000000, 0.0002034700000000, -0.0001231200000000 ] - [ -0.0001906400000000, -0.0003699500000000, 0.0010735400000000 ] - [ 0.0001054500000000, -0.0001934100000000, 0.0004332000000000 ] - [ 0.0013382300000000, -0.0006209900000000, 0.0014809500000000 ] - [ -0.0004371500000000, 0.0005356200000000, 0.0000734300000000 ] - [ 0.0016852300000000, 0.0010235300000000, 0.0022870100000000 ] - [ -0.0001923700000000, -0.0003240900000000, -0.0005759900000000 ] - [ 0.0008680300000000, -0.0000296000000000, 0.0008808000000000 ] - [ -0.0003449600000000, 0.0000119700000000, 0.0012524400000000 ]- atom: 51 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0004608000000000, 0.0028113500000000, -0.0026301600000000 ] - [ 0.0000421900000000, -0.0000363300000000, -0.0000031300000000 ] - [ -0.0020088300000000, -0.0024886600000000, 0.0040652300000000 ] - [ 0.0002496400000000, 0.0001759400000000, -0.0005628000000000 ] - [ 0.0591627300000000, -0.0242758400000000, -0.0426787100000000 ] - [ -0.0010373500000000, -0.0002631600000000, 0.0000222800000000 ] - [ -0.0001364200000000, -0.0009176800000000, -0.0011882300000000 ] - [ -0.0005945700000000, -0.0002985900000000, 0.0013438400000000 ] - [ 0.0023874300000000, -0.0005010800000000, 0.0005263300000000 ] - [ -0.0009364800000000, -0.0002549800000000, 0.0015422600000000 ] - [ -0.0057551500000000, -0.0064207800000000, 0.0029328600000000 ] - [ -0.0001421700000000, -0.0000785900000000, -0.0006343300000000 ] - [ 0.0018986900000000, -0.0018297500000000, 0.0001884100000000 ] - [ -0.0004248500000000, -0.0006585300000000, -0.0000121600000000 ] - [ -0.0007472100000000, 0.0007095100000000, 0.0017164000000000 ] - [ 0.0015418500000000, 0.0003275400000000, -0.0007991700000000 ] - [ 0.0017343500000000, 0.0022092900000000, 0.0010463700000000 ] - [ 0.0000409400000000, -0.0000101500000000, 0.0000437600000000 ] - [ -0.0004721200000000, -0.0001248000000000, 0.0005421100000000 ] - [ -0.0004660900000000, 0.0002567000000000, -0.0006407600000000 ] - [ -0.0064206700000000, 0.0064132700000000, 0.0016638400000000 ] - [ 0.0000750300000000, 0.0003151400000000, -0.0010315600000000 ] - [ -0.0004682600000000, -0.0018462200000000, 0.0007036600000000 ] - [ -0.0005671500000000, 0.0001543200000000, -0.0001314900000000 ] - [ 0.0006102100000000, 0.0014709900000000, 0.0025984500000000 ] - [ -0.0002656000000000, 0.0000776100000000, -0.0008952800000000 ] - [ -0.0041954300000000, 0.0043489500000000, -0.0011338100000000 ] - [ -0.0005071100000000, 0.0000116600000000, 0.0004207200000000 ] - [ 0.0073476500000000, 0.0019880500000000, 0.0097473800000000 ] - [ -0.0000195700000000, 0.0001041400000000, 0.0003000600000000 ] - [ 0.0021122900000000, 0.0002288500000000, -0.0017344600000000 ] - [ -0.0007897800000000, -0.0001439500000000, 0.0006014000000000 ] - [ 0.0489626000000000, -0.1040295600000000, -0.0823534900000000 ] - [ -0.0006919600000000, -0.0000046000000000, -0.0007575500000000 ] - [ 0.0009464200000000, 0.0004596800000000, 0.0005218100000000 ] - [ -0.0001101400000000, 0.0010826100000000, -0.0001654700000000 ] - [ 0.0050761900000000, 0.0016929200000000, 0.0051732500000000 ] - [ -0.0000305600000000, -0.0001802100000000, 0.0005848400000000 ] - [ -0.0059897800000000, -0.0024289500000000, -0.0055176200000000 ] - [ -0.0015935000000000, 0.0001527800000000, -0.0040893500000000 ] - [ -0.0009149200000000, 0.0000710400000000, -0.0006705400000000 ] - [ 0.0008856900000000, -0.0002200200000000, -0.0006873400000000 ] - [ -0.0008557100000000, -0.0020211100000000, 0.0010889900000000 ] - [ -0.0001903600000000, -0.0004100300000000, 0.0001731100000000 ] - [ -0.0009976800000000, -0.0005180100000000, 0.0011817400000000 ] - [ 0.0004628800000000, 0.0001431100000000, -0.0004972000000000 ] - [ -0.0017926000000000, 0.0007514600000000, -0.0031229100000000 ] - [ -0.0005928700000000, 0.0004428300000000, -0.0002103200000000 ] - [ -0.0004533300000000, -0.0009336800000000, -0.0007688400000000 ] - [ -0.0008286300000000, -0.0002777200000000, 0.0004027600000000 ] - [ -0.1319902300000000, 0.1643936500000000, 0.1519966400000000 ] - [ 0.0005110700000000, -0.0003726600000000, -0.0001251000000000 ] - [ -0.0074951400000000, -0.0141320600000000, 0.0025256100000000 ] - [ 0.0000780100000000, -0.0002041900000000, -0.0003114300000000 ] - [ -0.0011489500000000, 0.0015472200000000, -0.0149107000000000 ] - [ 0.0003679100000000, 0.0001584900000000, -0.0003251700000000 ] - [ -0.0003430700000000, -0.0025544100000000, 0.0012084700000000 ] - [ 0.0000800600000000, -0.0003360300000000, 0.0000390100000000 ] - [ 0.0001982700000000, 0.0002332400000000, 0.0001786400000000 ] - [ 0.0003127700000000, 0.0000043900000000, -0.0004083700000000 ] - [ 0.0020178400000000, 0.0020189200000000, 0.0005121700000000 ] - [ -0.0001121900000000, -0.0003437500000000, 0.0018804100000000 ] - [ -0.0004409000000000, 0.0000272600000000, 0.0003044400000000 ] - [ 0.0005708500000000, -0.0001842700000000, -0.0003948600000000 ] - [ 0.0021583600000000, -0.0011759900000000, 0.0008454000000000 ] - [ 0.0018479900000000, -0.0000927900000000, 0.0026799800000000 ] - [ 0.0004848900000000, 0.0001506700000000, -0.0012618900000000 ] - [ 0.0002131700000000, 0.0002622700000000, 0.0000759900000000 ] - [ 0.0025007600000000, -0.0004287200000000, -0.0008939800000000 ] - [ 0.0011234600000000, 0.0002173000000000, -0.0002678700000000 ] - [ 0.0097907300000000, 0.0023584500000000, -0.0003942500000000 ] - [ 0.0009510900000000, -0.0000617600000000, 0.0015444800000000 ] - [ -0.0064815700000000, 0.0114834500000000, 0.0078372000000000 ] - [ 0.0006970600000000, -0.0004231200000000, 0.0004641700000000 ] - [ 0.0015230500000000, -0.0027055000000000, 0.0013750900000000 ] - [ -0.0001264500000000, -0.0003183800000000, -0.0003006800000000 ] - [ -0.0019382900000000, 0.0054441600000000, -0.0091198200000000 ] - [ 0.0005788300000000, 0.0002710700000000, 0.0005421200000000 ] - [ 0.0006576300000000, -0.0012592600000000, -0.0056027300000000 ] - [ -0.0000429100000000, -0.0001094100000000, 0.0000283000000000 ] - [ 0.0000257100000000, -0.0013637300000000, -0.0046754400000000 ] - [ 0.0004436200000000, 0.0004310500000000, 0.0005390000000000 ] - [ -0.0013575300000000, 0.0007232500000000, -0.0020061000000000 ] - [ -0.0001510500000000, 0.0000962400000000, -0.0002057900000000 ] - [ 0.0000201300000000, 0.0010077800000000, 0.0023142200000000 ] - [ 0.0027444200000000, 0.0011978500000000, 0.0016123800000000 ] - [ -0.0009414900000000, -0.0002550300000000, -0.0001895600000000 ] - [ 0.0000136600000000, -0.0001184700000000, 0.0005014600000000 ] - [ 0.0301918000000000, -0.0351042200000000, -0.0159493200000000 ] - [ -0.0005106800000000, 0.0003606800000000, 0.0004475600000000 ] - [ 0.0002208600000000, 0.0013558600000000, -0.0003459000000000 ] - [ 0.0002173200000000, 0.0001064000000000, -0.0005518300000000 ] - [ 0.0044121300000000, -0.0062171700000000, -0.0003264100000000 ] - [ 0.0007069400000000, -0.0002400800000000, 0.0005913000000000 ] - [ -0.0000898900000000, -0.0003314700000000, -0.0019593000000000 ] - [ -0.0002673700000000, 0.0004357300000000, 0.0002051900000000 ] - [ -0.0000224300000000, -0.0000298800000000, -0.0003902000000000 ] - [ -0.0003188600000000, -0.0001999500000000, 0.0002310200000000 ] - [ -0.0023251400000000, 0.0016058100000000, -0.0016847900000000 ] - [ -0.0005655000000000, 0.0004649200000000, -0.0002704700000000 ] - [ -0.0021187100000000, -0.0015974400000000, -0.0035337700000000 ] - [ -0.0002584300000000, -0.0002654400000000, -0.0006882400000000 ] - [ -0.0004110500000000, -0.0005526700000000, 0.0003893600000000 ] - [ 0.0007967200000000, -0.0006049900000000, 0.0000091700000000 ]- atom: 53 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0089957000000000, -0.0060239000000000, 0.0063413500000000 ] - [ -0.0013323800000000, -0.0002274300000000, -0.0007412900000000 ] - [ 0.0042689400000000, -0.0006486200000000, 0.0019768800000000 ] - [ -0.0017670500000000, 0.0004519000000000, -0.0014066100000000 ] - [ 0.0057945400000000, -0.0008025100000000, -0.0001188800000000 ] - [ -0.0026385900000000, -0.0002045600000000, -0.0008034500000000 ] - [ -0.0015408400000000, -0.0000714900000000, 0.0016857200000000 ] - [ -0.0014427900000000, -0.0009870800000000, 0.0000173800000000 ] - [ 0.0174047600000000, -0.0057581300000000, 0.0083382400000000 ] - [ -0.0029127900000000, 0.0001078500000000, -0.0001040900000000 ] - [ 0.0005384700000000, -0.0087120500000000, 0.0023234000000000 ] - [ -0.0018856600000000, 0.0004991700000000, -0.0006680100000000 ] - [ -0.0028353200000000, 0.0011973900000000, -0.0076340800000000 ] - [ -0.0013708200000000, -0.0006336000000000, -0.0020134500000000 ] - [ -0.0002452700000000, 0.0009988400000000, 0.0005543900000000 ] - [ -0.0010421700000000, -0.0006833600000000, -0.0008944100000000 ] - [ 0.0018299700000000, 0.0004898500000000, 0.0002818600000000 ] - [ -0.0016022500000000, -0.0001415200000000, -0.0013636600000000 ] - [ 0.0011518500000000, -0.0003832900000000, 0.0008432800000000 ] - [ -0.0026480500000000, 0.0010155800000000, -0.0010323800000000 ] - [ -0.0045376000000000, 0.0054850300000000, 0.0018425000000000 ] - [ -0.0043745000000000, -0.0002569600000000, -0.0007461000000000 ] - [ 0.0033640000000000, -0.0003912000000000, 0.0013406100000000 ] - [ -0.0022086200000000, -0.0001281800000000, -0.0006272600000000 ] - [ 0.0057166600000000, 0.0013068400000000, 0.0016021800000000 ] - [ -0.0034081000000000, -0.0004752000000000, -0.0024507500000000 ] - [ 0.0030976600000000, -0.0034878700000000, 0.0034238100000000 ] - [ -0.0027265000000000, -0.0000230100000000, -0.0004284900000000 ] - [ 0.0017650000000000, -0.0007413300000000, 0.0024173100000000 ] - [ -0.0033629500000000, 0.0013006000000000, -0.0015425400000000 ] - [ 0.0015853300000000, 0.0008479300000000, 0.0010892000000000 ] - [ -0.0025751800000000, -0.0008736000000000, -0.0004455600000000 ] - [ 0.1762186400000000, 0.0585149500000000, 0.0924148800000000 ] - [ -0.0034080500000000, 0.0000624700000000, -0.0013037600000000 ] - [ 0.0051271800000000, -0.0072677400000000, -0.0066004700000000 ] - [ -0.0018266600000000, 0.0014963200000000, -0.0023954700000000 ] - [ 0.0104619000000000, 0.0016940300000000, 0.0003085400000000 ] - [ -0.0028626800000000, -0.0001467300000000, -0.0004056500000000 ] - [ -0.0008028200000000, 0.0035758200000000, 0.0083170500000000 ] - [ -0.0052708200000000, -0.0013799200000000, -0.0038288900000000 ] - [ -0.0022052000000000, -0.0092698300000000, 0.0038010000000000 ] - [ 0.0025383300000000, -0.0000476800000000, -0.0004838700000000 ] - [ -0.0004583100000000, -0.0022249300000000, 0.0000488000000000 ] - [ 0.0007690000000000, 0.0006721700000000, -0.0002631900000000 ] - [ -0.0002277400000000, 0.0001161500000000, -0.0001606700000000 ] - [ 0.0007664000000000, 0.0001975200000000, -0.0000156800000000 ] - [ -0.0024544500000000, 0.0001002200000000, -0.0003147800000000 ] - [ 0.0006108300000000, 0.0003744700000000, 0.0008036400000000 ] - [ -0.0037536400000000, -0.0026758200000000, 0.0014889500000000 ] - [ 0.0007218400000000, -0.0000741600000000, 0.0007824300000000 ] - [ -0.0061793200000000, 0.0066033200000000, 0.0049513400000000 ] - [ 0.0014360400000000, -0.0007094100000000, -0.0000624700000000 ] - [ -0.2555465000000000, -0.0670737200000000, -0.1525689300000000 ] - [ 0.0018106900000000, 0.0000413000000000, 0.0005929200000000 ] - [ -0.0024102500000000, 0.0000953400000000, -0.0010470300000000 ] - [ 0.0026041300000000, 0.0002408300000000, 0.0008504400000000 ] - [ 0.0008842100000000, 0.0048497400000000, -0.0038537700000000 ] - [ 0.0008979300000000, -0.0001813800000000, 0.0002081800000000 ] - [ 0.0010526200000000, 0.0032448800000000, 0.0012540500000000 ] - [ 0.0009444000000000, 0.0004272800000000, 0.0004929200000000 ] - [ 0.0005096500000000, 0.0006815800000000, -0.0012184900000000 ] - [ 0.0032891500000000, 0.0003443000000000, 0.0011091200000000 ] - [ -0.0008322800000000, -0.0017421900000000, -0.0018915900000000 ] - [ 0.0020072900000000, -0.0002487600000000, 0.0003756000000000 ] - [ 0.0013955100000000, -0.0022664700000000, -0.0011108900000000 ] - [ 0.0027829700000000, 0.0006760300000000, 0.0027282400000000 ] - [ -0.0019736400000000, -0.0008409300000000, 0.0000391100000000 ] - [ 0.0013507100000000, 0.0006970600000000, 0.0001487400000000 ] - [ 0.0006981200000000, 0.0009490800000000, -0.0010483900000000 ] - [ 0.0023534400000000, 0.0003730400000000, -0.0003482700000000 ] - [ -0.0025473600000000, -0.0016235700000000, -0.0021460000000000 ] - [ 0.0031535600000000, 0.0006568900000000, 0.0022993100000000 ] - [ 0.0142610600000000, -0.0034677700000000, 0.0345707700000000 ] - [ 0.0015118600000000, -0.0005616900000000, 0.0013745800000000 ] - [ -0.0014510600000000, 0.0001128900000000, -0.0020248100000000 ] - [ 0.0006361900000000, -0.0000412600000000, 0.0005534600000000 ] - [ -0.0046609100000000, 0.0003609100000000, -0.0024988600000000 ] - [ 0.0023599400000000, 0.0005041600000000, 0.0014935100000000 ] - [ 0.0009489500000000, 0.0007103700000000, -0.0018552500000000 ] - [ 0.0013201000000000, -0.0003057600000000, 0.0003555900000000 ] - [ -0.0009207300000000, -0.0011027100000000, -0.0030302600000000 ] - [ 0.0021494000000000, 0.0007651400000000, 0.0020154300000000 ] - [ -0.0039055300000000, 0.0006187200000000, -0.0026496100000000 ] - [ 0.0019497300000000, -0.0001905100000000, 0.0010687000000000 ] - [ 0.0087382300000000, -0.0021175800000000, -0.0057873400000000 ] - [ 0.0034226200000000, 0.0006025100000000, 0.0010931300000000 ] - [ -0.0033445100000000, 0.0040434300000000, 0.0021038200000000 ] - [ 0.0017471600000000, -0.0004033700000000, 0.0016387900000000 ] - [ 0.0306518100000000, 0.0180269200000000, 0.0047163500000000 ] - [ 0.0014690000000000, -0.0000258100000000, 0.0002839200000000 ] - [ -0.0003791700000000, 0.0004014000000000, -0.0009614800000000 ] - [ 0.0006006700000000, 0.0002942600000000, -0.0005407600000000 ] - [ -0.0027146200000000, 0.0014669500000000, -0.0012948400000000 ] - [ 0.0022692800000000, -0.0004473200000000, 0.0015204300000000 ] - [ -0.0054321000000000, -0.0002859500000000, 0.0003670600000000 ] - [ 0.0009208600000000, 0.0001972300000000, 0.0003565600000000 ] - [ -0.0011125700000000, 0.0001551000000000, 0.0027626400000000 ] - [ 0.0006071100000000, -0.0010843600000000, 0.0016800100000000 ] - [ -0.0006194200000000, 0.0016914600000000, 0.0012157400000000 ] - [ 0.0008212700000000, -0.0005738800000000, 0.0009830000000000 ] - [ -0.0005038400000000, 0.0004494000000000, -0.0009522700000000 ] - [ 0.0005593500000000, -0.0005187200000000, 0.0000019900000000 ] - [ 0.0062227800000000, 0.0106895600000000, 0.0078035300000000 ] - [ 0.0011968400000000, -0.0009213100000000, 0.0006323700000000 ]- atom: 53 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ -0.0082079800000000, 0.0061538600000000, -0.0064865100000000 ] - [ 0.0022218700000000, 0.0000476100000000, 0.0006910900000000 ] - [ -0.0033665800000000, 0.0008297100000000, -0.0020313500000000 ] - [ 0.0026550700000000, -0.0002687100000000, 0.0013556400000000 ] - [ -0.0067028000000000, 0.0006172200000000, 0.0001804500000000 ] - [ 0.0017452300000000, 0.0000207600000000, 0.0008506800000000 ] - [ 0.0012211400000000, -0.0010113100000000, -0.0007920000000000 ] - [ 0.0011336700000000, -0.0001026600000000, 0.0008734600000000 ] - [ -0.0193307100000000, 0.0064918300000000, -0.0094105000000000 ] - [ 0.0023373300000000, -0.0000346100000000, 0.0002032600000000 ] - [ 0.0000523800000000, 0.0085661200000000, -0.0024255000000000 ] - [ 0.0024543400000000, -0.0005750900000000, 0.0005755900000000 ] - [ 0.0031410600000000, -0.0022820000000000, 0.0067580300000000 ] - [ 0.0016810500000000, -0.0004549700000000, 0.0011163400000000 ] - [ -0.0000688000000000, 0.0000838400000000, 0.0003321200000000 ] - [ 0.0007382700000000, 0.0017620000000000, 0.0017875400000000 ] - [ -0.0012554700000000, -0.0004200300000000, -0.0003699300000000 ] - [ 0.0021684700000000, 0.0002124400000000, 0.0012658100000000 ] - [ -0.0017249500000000, 0.0003214400000000, -0.0007509400000000 ] - [ 0.0020800900000000, -0.0010829400000000, 0.0011270900000000 ] - [ 0.0048188100000000, -0.0043552500000000, -0.0027233600000000 ] - [ 0.0046936300000000, 0.0013478500000000, -0.0001417900000000 ] - [ -0.0042460600000000, 0.0005614400000000, -0.0013000500000000 ] - [ 0.0013161400000000, 0.0003084400000000, 0.0006756100000000 ] - [ -0.0055610300000000, -0.0013292400000000, -0.0028561100000000 ] - [ 0.0035541300000000, 0.0004431200000000, 0.0011897200000000 ] - [ -0.0032493100000000, 0.0034979800000000, -0.0021512700000000 ] - [ 0.0025756900000000, 0.0000559900000000, 0.0016904800000000 ] - [ -0.0017713700000000, 0.0012940900000000, -0.0011760300000000 ] - [ 0.0033433900000000, -0.0007397200000000, 0.0027604800000000 ] - [ -0.0015415700000000, -0.0014007800000000, 0.0001523100000000 ] - [ 0.0025657300000000, 0.0003216600000000, 0.0016617500000000 ] - [ -0.1690699400000000, -0.0539189200000000, -0.0876645500000000 ] - [ 0.0035569600000000, -0.0000255300000000, 0.0000360800000000 ] - [ -0.0051691000000000, 0.0078609900000000, 0.0053715800000000 ] - [ 0.0018318400000000, -0.0009382300000000, 0.0011788900000000 ] - [ -0.0105902300000000, -0.0017094300000000, 0.0009597700000000 ] - [ 0.0027122100000000, 0.0001134900000000, 0.0016701900000000 ] - [ 0.0008097900000000, -0.0041480200000000, -0.0095761100000000 ] - [ 0.0052607100000000, 0.0008275100000000, 0.0025718400000000 ] - [ 0.0041666200000000, 0.0087428000000000, -0.0046462200000000 ] - [ -0.0005766300000000, -0.0004932700000000, -0.0003604600000000 ] - [ -0.0005580100000000, 0.0012114800000000, -0.0002502900000000 ] - [ -0.0017706600000000, -0.0016737200000000, 0.0000643900000000 ] - [ 0.0004346000000000, 0.0002832300000000, -0.0005225700000000 ] - [ -0.0005530400000000, 0.0001978500000000, -0.0006562200000000 ] - [ 0.0017513000000000, 0.0006914400000000, -0.0002898900000000 ] - [ -0.0013116600000000, 0.0004247900000000, -0.0014083700000000 ] - [ 0.0017932400000000, 0.0021217600000000, -0.0006486000000000 ] - [ -0.0026790800000000, -0.0004697600000000, 0.0000615100000000 ] - [ 0.0063594200000000, -0.0072744200000000, -0.0049877200000000 ] - [ -0.0011277200000000, 0.0000617800000000, -0.0000215300000000 ] - [ 0.2486470800000000, 0.0607668600000000, 0.1462479000000000 ] - [ -0.0027057700000000, -0.0005154800000000, -0.0015125600000000 ] - [ 0.0026559900000000, 0.0000721900000000, -0.0000375500000000 ] - [ -0.0023537300000000, -0.0000752800000000, -0.0019296900000000 ] - [ -0.0011794300000000, -0.0054717300000000, 0.0039341800000000 ] - [ -0.0012072700000000, -0.0004624600000000, -0.0001222500000000 ] - [ -0.0000410400000000, -0.0022585500000000, -0.0010527300000000 ] - [ 0.0000557600000000, 0.0005683500000000, -0.0002929200000000 ] - [ -0.0000627800000000, -0.0000924400000000, 0.0024955300000000 ] - [ -0.0028490000000000, 0.0002401800000000, 0.0001633400000000 ] - [ 0.0010402500000000, 0.0016088200000000, 0.0007993500000000 ] - [ -0.0017549300000000, 0.0000804200000000, -0.0014527800000000 ] - [ -0.0003974000000000, 0.0012810500000000, 0.0013207400000000 ] - [ -0.0017767400000000, -0.0016612800000000, -0.0025034400000000 ] - [ 0.0022766400000000, 0.0014859600000000, -0.0001225500000000 ] - [ -0.0010408400000000, -0.0000509500000000, -0.0002334600000000 ] - [ 0.0012672600000000, -0.0004027400000000, 0.0002021800000000 ] - [ -0.0003926400000000, 0.0001717200000000, -0.0004979300000000 ] - [ 0.0023056600000000, 0.0014651900000000, 0.0032426400000000 ] - [ -0.0033901200000000, -0.0008229000000000, -0.0012100600000000 ] - [ -0.0136122600000000, 0.0025981100000000, -0.0335352600000000 ] - [ -0.0008093900000000, -0.0002368200000000, -0.0007666800000000 ] - [ 0.0007541300000000, -0.0009045500000000, 0.0014197800000000 ] - [ -0.0013383000000000, -0.0007543300000000, -0.0011586300000000 ] - [ 0.0055442200000000, 0.0001199400000000, 0.0034148000000000 ] - [ -0.0014640300000000, -0.0000300500000000, -0.0005750900000000 ] - [ -0.0007257900000000, -0.0010985100000000, 0.0011642100000000 ] - [ -0.0011046100000000, -0.0000905500000000, -0.0010295700000000 ] - [ 0.0016163800000000, 0.0018886400000000, 0.0036204700000000 ] - [ -0.0014470800000000, 0.0000297800000000, -0.0014127400000000 ] - [ 0.0030031200000000, -0.0001476300000000, 0.0017263700000000 ] - [ -0.0028455800000000, 0.0006630300000000, -0.0019884000000000 ] - [ -0.0090696900000000, 0.0025347600000000, 0.0065057500000000 ] - [ -0.0036116200000000, -0.0002043900000000, -0.0004038600000000 ] - [ 0.0031393200000000, -0.0038582300000000, -0.0009870900000000 ] - [ -0.0019893300000000, 0.0005685400000000, -0.0005574500000000 ] - [ -0.0317712000000000, -0.0170713400000000, -0.0037955200000000 ] - [ -0.0034344200000000, 0.0005699500000000, 0.0005619100000000 ] - [ -0.0000831500000000, 0.0002004700000000, -0.0003022200000000 ] - [ -0.0010505700000000, 0.0003020400000000, -0.0007206500000000 ] - [ 0.0036091600000000, -0.0019381000000000, 0.0022095300000000 ] - [ -0.0013715600000000, -0.0000268200000000, -0.0005984900000000 ] - [ 0.0051155600000000, 0.0009115700000000, -0.0002479000000000 ] - [ -0.0012285500000000, 0.0004446600000000, -0.0002715500000000 ] - [ 0.0009078600000000, -0.0005604400000000, -0.0020807200000000 ] - [ -0.0008190700000000, 0.0006881200000000, -0.0010089700000000 ] - [ -0.0003812700000000, -0.0006918400000000, -0.0014168100000000 ] - [ -0.0018115000000000, 0.0015704700000000, -0.0011580500000000 ] - [ 0.0000569100000000, -0.0010369300000000, -0.0003237100000000 ] - [ -0.0010029100000000, -0.0000731600000000, -0.0012675600000000 ] - [ -0.0058656100000000, -0.0113843300000000, -0.0065979600000000 ] - [ -0.0007476000000000, 0.0003251700000000, 0.0006302700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008410900000000, 0.0564627200000000, -0.0118600900000000 ] - [ 0.0002007200000000, 0.0000464500000000, -0.0001007200000000 ] - [ 0.0000764400000000, 0.0023321900000000, 0.0004140800000000 ] - [ 0.0001851800000000, 0.0004344100000000, -0.0003041500000000 ] - [ 0.0062565700000000, -0.0041361600000000, -0.0050638800000000 ] - [ -0.0007530100000000, -0.0002877600000000, -0.0000330500000000 ] - [ 0.0009971800000000, -0.0030681600000000, 0.0003776700000000 ] - [ -0.0003303300000000, -0.0011266400000000, 0.0001576000000000 ] - [ -0.0099727300000000, 0.0097619300000000, -0.0049667700000000 ] - [ -0.0007998900000000, 0.0002347700000000, 0.0003198300000000 ] - [ -0.0035129700000000, -0.0033954200000000, 0.0022789800000000 ] - [ 0.0003296700000000, -0.0002376500000000, -0.0000973800000000 ] - [ 0.0013844300000000, -0.0004721800000000, 0.0014569800000000 ] - [ -0.0002370300000000, 0.0004786200000000, -0.0010545600000000 ] - [ -0.0001308900000000, -0.0004973100000000, 0.0010342400000000 ] - [ -0.0007576600000000, -0.0006319900000000, 0.0000512900000000 ] - [ 0.0007083600000000, -0.0014388300000000, 0.0000769900000000 ] - [ -0.0002322600000000, -0.0004875200000000, -0.0006531600000000 ] - [ -0.0008954400000000, 0.0008097100000000, 0.0001138200000000 ] - [ -0.0002485100000000, 0.0000898800000000, 0.0000347800000000 ] - [ -0.0010059000000000, 0.0034843800000000, 0.0004526800000000 ] - [ -0.0009563000000000, 0.0016564800000000, 0.0001311800000000 ] - [ 0.0016617200000000, -0.0043288400000000, -0.0011708400000000 ] - [ -0.0007412200000000, -0.0001535000000000, -0.0000688400000000 ] - [ 0.0005958600000000, 0.0009083300000000, 0.0001868400000000 ] - [ -0.0008152500000000, -0.0000142600000000, -0.0008407600000000 ] - [ 0.0006729600000000, -0.0087116500000000, 0.0025909700000000 ] - [ -0.0003380300000000, -0.0001823800000000, 0.0004117000000000 ] - [ -0.0017443800000000, 0.0012826300000000, -0.0006247700000000 ] - [ 0.0000624700000000, 0.0004559000000000, 0.0012282000000000 ] - [ 0.0064098000000000, -0.0023519100000000, 0.0039106200000000 ] - [ -0.0006314300000000, -0.0008809500000000, 0.0001808400000000 ] - [ 0.0508283200000000, 0.0855265700000000, 0.0345900700000000 ] - [ -0.0001706900000000, 0.0002407800000000, -0.0009103100000000 ] - [ -0.0071126500000000, 0.0004721600000000, -0.0061585800000000 ] - [ -0.0002725500000000, 0.0002758500000000, -0.0002225800000000 ] - [ -0.0023740000000000, -0.0039510200000000, 0.0051383600000000 ] - [ -0.0005582600000000, 0.0000271400000000, 0.0004791600000000 ] - [ 0.0024429500000000, 0.0007361900000000, -0.0000628000000000 ] - [ -0.0013301700000000, 0.0013387400000000, -0.0026468200000000 ] - [ -0.0002879700000000, 0.0065475000000000, -0.0044815200000000 ] - [ 0.0013025000000000, -0.0002541600000000, -0.0004543600000000 ] - [ -0.0017472900000000, -0.0011868600000000, -0.0003790200000000 ] - [ 0.0000647500000000, -0.0003254300000000, -0.0000534500000000 ] - [ -0.0005126700000000, 0.0014502100000000, -0.0016892000000000 ] - [ 0.0003162800000000, 0.0004277600000000, -0.0002039000000000 ] - [ -0.0002322400000000, 0.0028118300000000, -0.0021937800000000 ] - [ -0.0001096100000000, 0.0004992900000000, -0.0000538200000000 ] - [ -0.0009794100000000, -0.0000347700000000, -0.0001943800000000 ] - [ -0.0003662200000000, -0.0003559100000000, 0.0005315200000000 ] - [ 0.0183285900000000, 0.0206492600000000, 0.0230359900000000 ] - [ 0.0002606900000000, -0.0003977300000000, -0.0000288100000000 ] - [ -0.0651788500000000, -0.1751604500000000, -0.0251364600000000 ] - [ -0.0001748300000000, -0.0003366500000000, -0.0003206100000000 ] - [ 0.0005608200000000, -0.0003826400000000, 0.0010105500000000 ] - [ 0.0002632400000000, 0.0000443500000000, -0.0005385300000000 ] - [ 0.0034886200000000, 0.0099421600000000, -0.0049007400000000 ] - [ -0.0000606500000000, -0.0002435100000000, 0.0000767900000000 ] - [ 0.0029287900000000, 0.0026765900000000, 0.0008390600000000 ] - [ 0.0005276000000000, 0.0007779900000000, 0.0000276400000000 ] - [ -0.0004389700000000, -0.0009370800000000, 0.0010238300000000 ] - [ -0.0005664300000000, -0.0006656700000000, 0.0014312200000000 ] - [ -0.0048573800000000, 0.0050797200000000, -0.0029301200000000 ] - [ 0.0004774100000000, -0.0000330100000000, -0.0003429300000000 ] - [ -0.0000014400000000, -0.0002660300000000, -0.0001293100000000 ] - [ 0.0020196500000000, -0.0006088500000000, 0.0008639700000000 ] - [ -0.0004549000000000, 0.0004211400000000, 0.0002280700000000 ] - [ 0.0004803200000000, 0.0004330500000000, -0.0000525900000000 ] - [ 0.0023333500000000, 0.0025263200000000, -0.0014473800000000 ] - [ 0.0010356700000000, 0.0005003600000000, -0.0003967700000000 ] - [ -0.0023401000000000, -0.0007837200000000, 0.0004310700000000 ] - [ 0.0005032000000000, -0.0003331200000000, 0.0011491500000000 ] - [ -0.0111911600000000, -0.0138416800000000, -0.0152986100000000 ] - [ 0.0004688300000000, -0.0006210200000000, 0.0005419300000000 ] - [ -0.0008025700000000, 0.0028157400000000, 0.0002164400000000 ] - [ -0.0002605500000000, -0.0001990600000000, -0.0001813700000000 ] - [ 0.0005708700000000, 0.0027006700000000, -0.0008467000000000 ] - [ 0.0007150200000000, 0.0003614700000000, 0.0006209200000000 ] - [ 0.0008037100000000, 0.0001152000000000, -0.0002423300000000 ] - [ -0.0003124900000000, -0.0001792600000000, -0.0005434300000000 ] - [ -0.0002361500000000, -0.0008514100000000, -0.0006698600000000 ] - [ 0.0008458800000000, 0.0002608600000000, 0.0006012000000000 ] - [ -0.0008310200000000, -0.0007186200000000, -0.0010300700000000 ] - [ -0.0000269800000000, 0.0000582500000000, -0.0002002500000000 ] - [ -0.0016120900000000, -0.0011144100000000, 0.0002551700000000 ] - [ 0.0013141800000000, 0.0001139100000000, 0.0008577400000000 ] - [ 0.0045817500000000, 0.0076594200000000, 0.0094008500000000 ] - [ 0.0000657100000000, 0.0000698200000000, 0.0005319300000000 ] - [ 0.0116874900000000, -0.0063831000000000, 0.0030961600000000 ] - [ -0.0010106000000000, 0.0000972200000000, 0.0004269200000000 ] - [ -0.0016715800000000, 0.0025041600000000, -0.0003034800000000 ] - [ -0.0001328600000000, 0.0007104900000000, -0.0005034000000000 ] - [ -0.0012515500000000, 0.0033606000000000, -0.0001824600000000 ] - [ 0.0006597500000000, -0.0001288400000000, 0.0006021300000000 ] - [ 0.0006652700000000, 0.0015788300000000, -0.0052275300000000 ] - [ 0.0000049100000000, 0.0002272600000000, 0.0000711600000000 ] - [ 0.0005885300000000, -0.0011719400000000, 0.0027170200000000 ] - [ -0.0001628000000000, -0.0001816200000000, 0.0000647600000000 ] - [ 0.0000642300000000, -0.0006395800000000, -0.0006334700000000 ] - [ -0.0005276200000000, -0.0002956000000000, -0.0002396700000000 ] - [ 0.0002043100000000, 0.0002946800000000, 0.0001231800000000 ] - [ -0.0003415700000000, 0.0000946800000000, -0.0007700700000000 ] - [ 0.0041501300000000, 0.0006815300000000, 0.0028261500000000 ] - [ 0.0003485300000000, -0.0005622600000000, 0.0004210400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020099900000000, -0.0608913600000000, 0.0129982200000000 ] - [ 0.0006942400000000, -0.0002285000000000, 0.0000535700000000 ] - [ 0.0008106700000000, -0.0021501000000000, -0.0004671700000000 ] - [ 0.0007112700000000, -0.0002522600000000, 0.0002590500000000 ] - [ -0.0071204100000000, 0.0039553700000000, 0.0050932800000000 ] - [ -0.0001330200000000, 0.0001070200000000, 0.0000832800000000 ] - [ -0.0012992700000000, 0.0019870600000000, 0.0005149200000000 ] - [ 0.0000197000000000, 0.0000445600000000, 0.0007370900000000 ] - [ 0.0093043800000000, -0.0099017400000000, 0.0050039400000000 ] - [ 0.0002368100000000, -0.0001625500000000, -0.0002265400000000 ] - [ 0.0040605700000000, 0.0033598500000000, -0.0023702500000000 ] - [ 0.0002442200000000, 0.0001675900000000, 0.0000034000000000 ] - [ -0.0010555700000000, -0.0006188900000000, -0.0022928300000000 ] - [ 0.0005506400000000, -0.0015688300000000, 0.0001654300000000 ] - [ -0.0001754200000000, 0.0015876800000000, -0.0001398500000000 ] - [ 0.0004424900000000, 0.0017228500000000, 0.0008437000000000 ] - [ -0.0001444100000000, 0.0015002300000000, -0.0001775700000000 ] - [ 0.0008076700000000, 0.0005582600000000, 0.0005627400000000 ] - [ 0.0003254200000000, -0.0008859300000000, -0.0000189000000000 ] - [ -0.0003134100000000, -0.0001666600000000, 0.0000605900000000 ] - [ 0.0013229500000000, -0.0024177600000000, -0.0013545900000000 ] - [ 0.0012720400000000, -0.0005786600000000, -0.0010266200000000 ] - [ -0.0025653800000000, 0.0045202100000000, 0.0012247800000000 ] - [ -0.0001461600000000, 0.0003347600000000, 0.0001183300000000 ] - [ -0.0004724200000000, -0.0009505900000000, -0.0014426800000000 ] - [ 0.0009724500000000, -0.0000202000000000, -0.0004182900000000 ] - [ -0.0008268500000000, 0.0087479100000000, -0.0013299000000000 ] - [ 0.0001927300000000, 0.0002140000000000, 0.0008543000000000 ] - [ 0.0017229500000000, -0.0007177500000000, 0.0018278000000000 ] - [ -0.0000637200000000, 0.0001000400000000, -0.0000036600000000 ] - [ -0.0064543000000000, 0.0017841500000000, -0.0027069700000000 ] - [ 0.0006299100000000, 0.0003256200000000, 0.0010416700000000 ] - [ -0.0493184300000000, -0.0857750500000000, -0.0349523600000000 ] - [ 0.0003242100000000, -0.0002055100000000, -0.0003497500000000 ] - [ 0.0071528800000000, 0.0000785300000000, 0.0049491600000000 ] - [ 0.0002808100000000, 0.0002707400000000, -0.0009893500000000 ] - [ 0.0022186800000000, 0.0039325300000000, -0.0038482300000000 ] - [ 0.0004169500000000, -0.0000563600000000, 0.0007866000000000 ] - [ -0.0024389900000000, -0.0012849400000000, -0.0011461800000000 ] - [ 0.0013506700000000, -0.0018793800000000, 0.0014268700000000 ] - [ 0.0022101300000000, -0.0070563300000000, 0.0036064600000000 ] - [ 0.0006505400000000, -0.0002943900000000, -0.0003847600000000 ] - [ 0.0007477400000000, 0.0001969300000000, 0.0001833300000000 ] - [ -0.0010688700000000, -0.0006720900000000, -0.0001464000000000 ] - [ 0.0007284100000000, -0.0010481500000000, 0.0010238300000000 ] - [ -0.0001111500000000, -0.0000289500000000, -0.0004701900000000 ] - [ -0.0004635900000000, -0.0020235800000000, 0.0015884200000000 ] - [ -0.0005907600000000, 0.0002981700000000, -0.0005505800000000 ] - [ -0.0009599000000000, -0.0004984000000000, 0.0010241300000000 ] - [ -0.0015955000000000, -0.0001899100000000, 0.0003080200000000 ] - [ -0.0177110400000000, -0.0208279200000000, -0.0226375600000000 ] - [ 0.0000458800000000, -0.0002482700000000, -0.0000585800000000 ] - [ 0.0626897600000000, 0.1793036100000000, 0.0218616200000000 ] - [ -0.0007261500000000, -0.0001332400000000, -0.0006014500000000 ] - [ -0.0003051000000000, 0.0005419000000000, -0.0020738800000000 ] - [ -0.0000233900000000, 0.0001188900000000, -0.0005448100000000 ] - [ -0.0038395700000000, -0.0106769500000000, 0.0050390000000000 ] - [ -0.0002513600000000, -0.0003974500000000, 0.0000091600000000 ] - [ -0.0019439600000000, -0.0016869900000000, -0.0006460500000000 ] - [ 0.0004734600000000, 0.0002222900000000, 0.0001685200000000 ] - [ 0.0008910700000000, 0.0015293600000000, 0.0002367100000000 ] - [ 0.0009988900000000, 0.0012506000000000, -0.0001654400000000 ] - [ 0.0051440000000000, -0.0053173300000000, 0.0018820700000000 ] - [ -0.0002315500000000, -0.0001322600000000, -0.0007364700000000 ] - [ 0.0010021900000000, -0.0007353800000000, 0.0003251600000000 ] - [ -0.0010217000000000, -0.0004012400000000, -0.0006771600000000 ] - [ 0.0007748100000000, 0.0002350700000000, -0.0003201600000000 ] - [ -0.0001735000000000, 0.0002109900000000, -0.0000342400000000 ] - [ -0.0003930000000000, -0.0019872000000000, 0.0006181400000000 ] - [ 0.0009214300000000, 0.0000474200000000, -0.0004455600000000 ] - [ 0.0020956700000000, 0.0006146600000000, 0.0006503100000000 ] - [ -0.0007561900000000, 0.0001634600000000, -0.0000717600000000 ] - [ 0.0117649300000000, 0.0131138500000000, 0.0158018500000000 ] - [ 0.0002287200000000, -0.0001756200000000, 0.0000581400000000 ] - [ 0.0001027300000000, -0.0036188600000000, -0.0008187400000000 ] - [ -0.0004398500000000, -0.0005993200000000, -0.0004219000000000 ] - [ 0.0003303900000000, -0.0022383200000000, 0.0017625600000000 ] - [ 0.0001742400000000, 0.0001065800000000, 0.0002939800000000 ] - [ -0.0005985300000000, -0.0005191000000000, -0.0004222100000000 ] - [ 0.0005163000000000, -0.0002226300000000, -0.0001292000000000 ] - [ 0.0009422900000000, 0.0016532800000000, 0.0012762600000000 ] - [ -0.0001502200000000, 0.0005350000000000, -0.0000029100000000 ] - [ -0.0000559300000000, 0.0011909900000000, 0.0001139100000000 ] - [ -0.0008757000000000, 0.0004139600000000, -0.0007223200000000 ] - [ 0.0014164900000000, 0.0015094100000000, 0.0004074000000000 ] - [ -0.0015339600000000, 0.0002858200000000, -0.0001797900000000 ] - [ -0.0048676600000000, -0.0075897800000000, -0.0084141700000000 ] - [ -0.0003152100000000, 0.0000978900000000, 0.0005445000000000 ] - [ -0.0136525900000000, 0.0067838100000000, -0.0022759100000000 ] - [ -0.0009486700000000, 0.0004494600000000, 0.0004145100000000 ] - [ 0.0012374600000000, -0.0019193600000000, -0.0009633800000000 ] - [ -0.0003242900000000, -0.0001184900000000, -0.0007587400000000 ] - [ 0.0021506900000000, -0.0038313800000000, 0.0011063800000000 ] - [ 0.0002319100000000, -0.0003414400000000, 0.0003152300000000 ] - [ -0.0009740800000000, -0.0009645300000000, 0.0052916200000000 ] - [ -0.0003166800000000, 0.0004117300000000, 0.0000139500000000 ] - [ -0.0008011600000000, 0.0007779800000000, -0.0020538200000000 ] - [ -0.0000472400000000, -0.0002113200000000, 0.0005989900000000 ] - [ -0.0010613500000000, 0.0016277000000000, 0.0004301100000000 ] - [ -0.0004763000000000, 0.0012944300000000, 0.0000390700000000 ] - [ -0.0006516800000000, -0.0008861800000000, -0.0013801800000000 ] - [ -0.0001094900000000, -0.0006836300000000, -0.0004982500000000 ] - [ -0.0037513700000000, -0.0012708900000000, -0.0015770200000000 ] - [ 0.0001006300000000, -0.0000242900000000, 0.0008432700000000 ]- atom: 53 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0020812600000000, -0.0125886800000000, 0.0078450500000000 ] - [ 0.0002930800000000, -0.0001484000000000, -0.0001732000000000 ] - [ 0.0029920100000000, -0.0002163100000000, -0.0035706600000000 ] - [ 0.0000382600000000, 0.0000394000000000, -0.0001441600000000 ] - [ 0.0014453600000000, -0.0019527500000000, -0.0018861600000000 ] - [ -0.0006642600000000, -0.0000945900000000, -0.0001634300000000 ] - [ -0.0007395300000000, -0.0003651100000000, 0.0014930800000000 ] - [ -0.0000651300000000, -0.0003955300000000, 0.0002879100000000 ] - [ 0.0015313000000000, -0.0007837400000000, 0.0048035900000000 ] - [ -0.0003394200000000, 0.0000452100000000, -0.0005310100000000 ] - [ -0.0000814800000000, 0.0026282300000000, 0.0013587500000000 ] - [ 0.0001552900000000, -0.0001294300000000, 0.0001638600000000 ] - [ -0.0018512900000000, -0.0000062900000000, -0.0061977100000000 ] - [ -0.0000566900000000, -0.0004908100000000, -0.0011411200000000 ] - [ -0.0000401800000000, 0.0006971000000000, -0.0005859400000000 ] - [ -0.0006274200000000, 0.0005881900000000, 0.0004493900000000 ] - [ 0.0002490800000000, 0.0002736400000000, -0.0004426300000000 ] - [ -0.0000745200000000, 0.0000231900000000, -0.0004993800000000 ] - [ 0.0006100500000000, -0.0001481200000000, -0.0009651300000000 ] - [ -0.0010084400000000, 0.0003814900000000, 0.0000891100000000 ] - [ 0.0020969200000000, -0.0012570700000000, -0.0001670600000000 ] - [ -0.0001772300000000, 0.0010589500000000, 0.0002683000000000 ] - [ 0.0007211700000000, -0.0000404100000000, 0.0001726500000000 ] - [ -0.0007216200000000, 0.0000902500000000, 0.0000070700000000 ] - [ 0.0021614200000000, -0.0012851500000000, -0.0037114900000000 ] - [ -0.0006182800000000, 0.0000184600000000, -0.0008100400000000 ] - [ 0.0010187600000000, 0.0021046300000000, 0.0001629400000000 ] - [ -0.0004448800000000, 0.0001150500000000, 0.0005522200000000 ] - [ 0.0008735900000000, -0.0007867300000000, -0.0007042100000000 ] - [ -0.0009508100000000, 0.0007299000000000, 0.0004270100000000 ] - [ 0.0003908100000000, 0.0001065900000000, 0.0019862800000000 ] - [ 0.0000147400000000, -0.0001106400000000, 0.0004175500000000 ] - [ 0.0169557100000000, 0.0162792100000000, 0.0680678800000000 ] - [ 0.0000163200000000, 0.0001095400000000, -0.0008991900000000 ] - [ -0.0015823200000000, -0.0004760700000000, -0.0024781300000000 ] - [ 0.0000786100000000, 0.0004693200000000, -0.0018002400000000 ] - [ -0.0009708500000000, 0.0065317100000000, 0.0030532700000000 ] - [ -0.0003630000000000, -0.0000873100000000, 0.0004842300000000 ] - [ 0.0023863400000000, -0.0005133500000000, -0.0015150000000000 ] - [ -0.0003784500000000, -0.0015120900000000, 0.0016427600000000 ] - [ 0.0021620500000000, -0.0026710700000000, -0.0010238900000000 ] - [ 0.0011098600000000, -0.0002169300000000, -0.0003410500000000 ] - [ -0.0003508900000000, -0.0005625600000000, -0.0008005100000000 ] - [ -0.0006105200000000, -0.0005445700000000, -0.0001912300000000 ] - [ 0.0003172000000000, 0.0002504800000000, -0.0008545000000000 ] - [ 0.0000091100000000, 0.0001857300000000, -0.0000911200000000 ] - [ -0.0000700400000000, -0.0014380000000000, 0.0003849800000000 ] - [ -0.0002297400000000, 0.0003855900000000, -0.0002304300000000 ] - [ -0.0026770400000000, -0.0009899500000000, 0.0021871100000000 ] - [ -0.0005800700000000, -0.0002989100000000, 0.0004860700000000 ] - [ 0.0099909900000000, 0.0094729500000000, -0.0018047600000000 ] - [ 0.0001691000000000, -0.0003149600000000, 0.0000475000000000 ] - [ -0.0391224500000000, 0.0032898800000000, -0.0960826900000000 ] - [ -0.0003795100000000, -0.0002287300000000, -0.0003400700000000 ] - [ -0.0006374500000000, 0.0000821600000000, 0.0004793400000000 ] - [ 0.0006329700000000, 0.0000621000000000, -0.0003008800000000 ] - [ -0.0025160800000000, -0.0045270500000000, 0.0015373100000000 ] - [ -0.0000186400000000, -0.0003345600000000, 0.0000763800000000 ] - [ 0.0012804800000000, 0.0011157000000000, 0.0004456300000000 ] - [ 0.0004762100000000, 0.0003413900000000, 0.0004179100000000 ] - [ -0.0003558300000000, -0.0001014100000000, 0.0012825700000000 ] - [ 0.0025049100000000, 0.0012407400000000, -0.0003099700000000 ] - [ -0.0014442600000000, 0.0005141300000000, -0.0019312700000000 ] - [ 0.0002408500000000, -0.0001277700000000, -0.0004569800000000 ] - [ -0.0000169100000000, -0.0000996800000000, 0.0002456800000000 ] - [ 0.0004363800000000, -0.0008265500000000, -0.0010493800000000 ] - [ -0.0007285400000000, 0.0001470900000000, 0.0007415900000000 ] - [ 0.0003873300000000, 0.0003538900000000, -0.0000643900000000 ] - [ -0.0001997500000000, -0.0002826000000000, 0.0003814500000000 ] - [ 0.0012106900000000, 0.0002211200000000, -0.0004867300000000 ] - [ -0.0017872200000000, 0.0002115500000000, 0.0018617000000000 ] - [ 0.0003903600000000, 0.0003105000000000, 0.0004098400000000 ] - [ 0.0280525100000000, -0.0038602100000000, 0.0214710700000000 ] - [ 0.0004077600000000, -0.0004643500000000, 0.0005216500000000 ] - [ -0.0007989400000000, -0.0009261800000000, -0.0011957800000000 ] - [ -0.0002783500000000, -0.0004237400000000, -0.0002125500000000 ] - [ -0.0002523500000000, -0.0009963500000000, -0.0007025200000000 ] - [ 0.0006522100000000, 0.0002920000000000, 0.0005547700000000 ] - [ -0.0005358800000000, -0.0000773200000000, 0.0006990500000000 ] - [ 0.0005139800000000, -0.0001900800000000, -0.0004876000000000 ] - [ -0.0006779500000000, 0.0013234600000000, 0.0017953200000000 ] - [ 0.0006817900000000, 0.0004023600000000, 0.0004488700000000 ] - [ -0.0011042100000000, 0.0006218200000000, 0.0006562100000000 ] - [ 0.0000056200000000, 0.0001769600000000, -0.0002308200000000 ] - [ -0.0022381200000000, 0.0004306400000000, 0.0001989400000000 ] - [ -0.0010763000000000, 0.0001755700000000, -0.0005113200000000 ] - [ 0.0012456200000000, 0.0025691400000000, 0.0018271600000000 ] - [ 0.0001579200000000, -0.0000031100000000, 0.0009076900000000 ] - [ -0.0179070300000000, -0.0069008100000000, -0.0087523100000000 ] - [ -0.0011486200000000, 0.0002776900000000, 0.0004378100000000 ] - [ -0.0003771400000000, 0.0002836800000000, -0.0008641300000000 ] - [ -0.0001991400000000, 0.0002743300000000, -0.0007029100000000 ] - [ 0.0000935800000000, -0.0003306900000000, 0.0006471500000000 ] - [ 0.0007124900000000, -0.0002987200000000, 0.0006190200000000 ] - [ -0.0016591500000000, -0.0074248900000000, 0.0078074500000000 ] - [ 0.0000283700000000, 0.0003399700000000, 0.0000880400000000 ] - [ 0.0000153700000000, -0.0002954000000000, 0.0013339000000000 ] - [ 0.0001740700000000, -0.0006947500000000, 0.0012973300000000 ] - [ -0.0006846100000000, 0.0012700700000000, 0.0011128300000000 ] - [ 0.0000774700000000, 0.0002056600000000, 0.0001171300000000 ] - [ -0.0003023300000000, -0.0001524400000000, -0.0001980500000000 ] - [ 0.0000242600000000, -0.0003253000000000, -0.0004612000000000 ] - [ 0.0024566900000000, 0.0013737300000000, 0.0007872000000000 ] - [ -0.0000074200000000, -0.0001739100000000, 0.0010183800000000 ]- atom: 53 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ -0.0011600100000000, 0.0125667100000000, -0.0080893000000000 ] - [ 0.0006033200000000, -0.0000287800000000, 0.0001294900000000 ] - [ -0.0021199600000000, 0.0003927200000000, 0.0035269700000000 ] - [ 0.0008594200000000, 0.0001390800000000, 0.0001026000000000 ] - [ -0.0023770600000000, 0.0017740400000000, 0.0019434100000000 ] - [ -0.0002216800000000, -0.0000841700000000, 0.0002113500000000 ] - [ 0.0004299900000000, -0.0007174700000000, -0.0006021200000000 ] - [ -0.0002407600000000, -0.0006846800000000, 0.0006050000000000 ] - [ -0.0020342000000000, 0.0007738600000000, -0.0045251300000000 ] - [ -0.0002205000000000, 0.0000246200000000, 0.0006261400000000 ] - [ 0.0006519800000000, -0.0026624100000000, -0.0014682900000000 ] - [ 0.0004201300000000, 0.0000566300000000, -0.0002573100000000 ] - [ 0.0021744000000000, -0.0010892400000000, 0.0053236500000000 ] - [ 0.0003724900000000, -0.0005928300000000, 0.0002524200000000 ] - [ -0.0002678200000000, 0.0003851700000000, 0.0014793700000000 ] - [ 0.0003204300000000, 0.0005015500000000, 0.0004499300000000 ] - [ 0.0003144400000000, -0.0002018600000000, 0.0003474600000000 ] - [ 0.0006481500000000, 0.0000451300000000, 0.0004056600000000 ] - [ -0.0011766800000000, 0.0000826100000000, 0.0010614700000000 ] - [ 0.0004451300000000, -0.0004514900000000, 0.0000114800000000 ] - [ -0.0017744200000000, 0.0023174100000000, -0.0007381300000000 ] - [ 0.0004991300000000, 0.0000258400000000, -0.0011572700000000 ] - [ -0.0016207400000000, 0.0002216500000000, -0.0001334600000000 ] - [ -0.0001668000000000, 0.0000878900000000, 0.0000391200000000 ] - [ -0.0020351300000000, 0.0012572800000000, 0.0024468600000000 ] - [ 0.0007781100000000, -0.0000508300000000, -0.0004509000000000 ] - [ -0.0011819900000000, -0.0020573200000000, 0.0010961000000000 ] - [ 0.0002988600000000, -0.0000812600000000, 0.0007188700000000 ] - [ -0.0008915400000000, 0.0013366100000000, 0.0019195500000000 ] - [ 0.0009527800000000, -0.0001808000000000, 0.0007989400000000 ] - [ -0.0003991500000000, -0.0006554700000000, -0.0007622100000000 ] - [ -0.0000163900000000, -0.0004431900000000, 0.0008058900000000 ] - [ -0.0169976000000000, -0.0164270100000000, -0.0700417600000000 ] - [ 0.0001451500000000, -0.0000728100000000, -0.0003652000000000 ] - [ 0.0015857000000000, 0.0010519600000000, 0.0012619800000000 ] - [ -0.0000662900000000, 0.0000835100000000, 0.0005812100000000 ] - [ 0.0008178700000000, -0.0065977200000000, -0.0018194500000000 ] - [ 0.0002219000000000, 0.0000553200000000, 0.0007871700000000 ] - [ -0.0023660700000000, -0.0000487800000000, 0.0002837200000000 ] - [ 0.0004007500000000, 0.0009532800000000, -0.0028540100000000 ] - [ -0.0001935000000000, 0.0021241600000000, 0.0001821400000000 ] - [ 0.0008530400000000, -0.0003429700000000, -0.0005062200000000 ] - [ -0.0006552400000000, -0.0004303300000000, 0.0006011500000000 ] - [ -0.0003935800000000, -0.0004482900000000, -0.0000056600000000 ] - [ -0.0001112400000000, 0.0001567000000000, 0.0001810200000000 ] - [ 0.0001918700000000, 0.0002215700000000, -0.0005783400000000 ] - [ -0.0006308000000000, 0.0022607600000000, -0.0009783700000000 ] - [ -0.0004740400000000, 0.0004260500000000, -0.0003734300000000 ] - [ 0.0007227200000000, 0.0004343700000000, -0.0013450100000000 ] - [ -0.0013948600000000, -0.0002614300000000, 0.0003633100000000 ] - [ -0.0096462000000000, -0.0100544300000000, 0.0016552800000000 ] - [ 0.0001221900000000, -0.0003261100000000, -0.0001357900000000 ] - [ 0.0379178500000000, -0.0036856200000000, 0.0958290500000000 ] - [ -0.0005331100000000, -0.0002538000000000, -0.0005885300000000 ] - [ 0.0008978100000000, 0.0000802200000000, -0.0015607400000000 ] - [ -0.0004026200000000, 0.0000945500000000, -0.0007889800000000 ] - [ 0.0022044000000000, 0.0038576100000000, -0.0014313300000000 ] - [ -0.0002811200000000, -0.0003020300000000, 0.0000134300000000 ] - [ -0.0002851100000000, -0.0001386100000000, -0.0002505700000000 ] - [ 0.0005206800000000, 0.0006433600000000, -0.0002222900000000 ] - [ 0.0008082100000000, 0.0006820500000000, -0.0000201900000000 ] - [ -0.0020535000000000, -0.0006559800000000, 0.0015679100000000 ] - [ 0.0016843300000000, -0.0006690800000000, 0.0008487800000000 ] - [ 0.0000029900000000, -0.0000318900000000, -0.0006250800000000 ] - [ 0.0010112500000000, -0.0008836300000000, -0.0000494000000000 ] - [ 0.0005535600000000, -0.0001655700000000, 0.0012360800000000 ] - [ 0.0010300100000000, 0.0004956200000000, -0.0008297000000000 ] - [ -0.0000936700000000, 0.0002835600000000, -0.0000244700000000 ] - [ 0.0021650800000000, 0.0008376800000000, -0.0012252400000000 ] - [ 0.0007597100000000, 0.0003373900000000, -0.0003663000000000 ] - [ 0.0015515500000000, -0.0003564600000000, -0.0007658100000000 ] - [ -0.0006349900000000, -0.0004680300000000, 0.0006714200000000 ] - [ -0.0269940000000000, 0.0029428100000000, -0.0207081100000000 ] - [ 0.0002899100000000, -0.0003458400000000, 0.0000749900000000 ] - [ 0.0001014300000000, 0.0001114300000000, 0.0005975600000000 ] - [ -0.0004267600000000, -0.0003868200000000, -0.0003881500000000 ] - [ 0.0011725000000000, 0.0014805600000000, 0.0016416600000000 ] - [ 0.0002440100000000, 0.0001879400000000, 0.0003650900000000 ] - [ 0.0007346500000000, -0.0003314800000000, -0.0013577400000000 ] - [ -0.0003132100000000, -0.0002147000000000, -0.0001766900000000 ] - [ 0.0013936000000000, -0.0005111300000000, -0.0011874300000000 ] - [ 0.0000150700000000, 0.0004019700000000, 0.0001414300000000 ] - [ 0.0002102600000000, -0.0001434200000000, -0.0015755700000000 ] - [ -0.0009156600000000, 0.0003069800000000, -0.0006969900000000 ] - [ 0.0020071600000000, -0.0000176100000000, 0.0004697700000000 ] - [ 0.0008570900000000, 0.0002333900000000, 0.0011835700000000 ] - [ -0.0014793300000000, -0.0024288000000000, -0.0007305500000000 ] - [ -0.0004013000000000, 0.0001627700000000, 0.0001759600000000 ] - [ 0.0159847200000000, 0.0074450500000000, 0.0096375200000000 ] - [ -0.0008319100000000, 0.0002851800000000, 0.0004150300000000 ] - [ -0.0000777200000000, 0.0002946400000000, -0.0003950900000000 ] - [ -0.0002617900000000, 0.0003108400000000, -0.0005544100000000 ] - [ 0.0008223800000000, -0.0001613900000000, 0.0002808200000000 ] - [ 0.0001857800000000, -0.0001843800000000, 0.0003032800000000 ] - [ 0.0013851700000000, 0.0081866300000000, -0.0078598200000000 ] - [ -0.0003272300000000, 0.0002923200000000, -0.0000006200000000 ] - [ -0.0002209900000000, -0.0001172600000000, -0.0006621700000000 ] - [ -0.0003801600000000, 0.0002901300000000, -0.0006308400000000 ] - [ -0.0003148900000000, -0.0002845500000000, -0.0013116300000000 ] - [ -0.0010841700000000, 0.0007864900000000, -0.0003163600000000 ] - [ -0.0001493100000000, -0.0004270100000000, -0.0010674200000000 ] - [ -0.0004784500000000, -0.0002507600000000, -0.0008036500000000 ] - [ -0.0020254300000000, -0.0019762700000000, 0.0004630400000000 ] - [ 0.0004595500000000, -0.0004038000000000, 0.0002441100000000 ]- atom: 55 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0026583200000000, -0.0003763000000000, 0.0004409000000000 ] - [ -0.0013688400000000, -0.0001274100000000, -0.0011289200000000 ] - [ 0.0351782300000000, 0.0267538900000000, -0.0066893700000000 ] - [ -0.0021398700000000, 0.0006281400000000, -0.0001144000000000 ] - [ 0.0062145700000000, 0.0029660600000000, -0.0015231700000000 ] - [ -0.0023031900000000, 0.0001224500000000, -0.0009071000000000 ] - [ -0.0019709700000000, 0.0001666900000000, -0.0001210700000000 ] - [ -0.0013413800000000, -0.0037514300000000, -0.0027969100000000 ] - [ -0.0013956600000000, -0.0012710400000000, 0.0003393600000000 ] - [ -0.0042099600000000, 0.0021242800000000, -0.0076274600000000 ] - [ 0.0071762700000000, 0.0005491000000000, -0.0000761900000000 ] - [ -0.0028224900000000, 0.0003668300000000, -0.0020561500000000 ] - [ 0.0021792800000000, 0.0064709600000000, 0.0061051500000000 ] - [ -0.0026013700000000, -0.0011703300000000, -0.0009377800000000 ] - [ -0.0024809900000000, 0.0019938200000000, -0.0000865800000000 ] - [ -0.0060834900000000, -0.0016862400000000, 0.0046677300000000 ] - [ 0.0076647200000000, -0.0070722600000000, 0.0032142600000000 ] - [ -0.0018666300000000, 0.0002260100000000, -0.0008249200000000 ] - [ -0.0016058700000000, -0.0015263700000000, -0.0007644000000000 ] - [ -0.0014180700000000, 0.0001466900000000, 0.0004365700000000 ] - [ 0.0040017300000000, 0.0010506000000000, 0.0012368300000000 ] - [ -0.0022000200000000, -0.0002738200000000, -0.0018453600000000 ] - [ 0.0010159500000000, 0.0016145600000000, 0.0018395600000000 ] - [ -0.0026698200000000, -0.0008252400000000, -0.0011203200000000 ] - [ 0.0085810500000000, -0.0046360900000000, -0.0001330300000000 ] - [ -0.0028559500000000, -0.0003490000000000, -0.0015949000000000 ] - [ -0.0004055800000000, 0.0011589500000000, 0.0001505900000000 ] - [ -0.0024170000000000, -0.0005066000000000, -0.0006503600000000 ] - [ 0.2396854500000000, 0.0555002300000000, 0.1007531300000000 ] - [ -0.0036666900000000, 0.0004853400000000, -0.0011141700000000 ] - [ 0.0031266400000000, -0.0025815700000000, 0.0045163400000000 ] - [ -0.0032284800000000, -0.0002317500000000, -0.0010762300000000 ] - [ 0.0045664800000000, -0.0017851700000000, 0.0019989400000000 ] - [ -0.0038871100000000, 0.0000443200000000, -0.0022437100000000 ] - [ -0.0006544400000000, -0.0004053800000000, -0.0003335500000000 ] - [ -0.0027123600000000, 0.0000948800000000, -0.0006537400000000 ] - [ -0.0016950600000000, 0.0098536700000000, 0.0062297500000000 ] - [ -0.0059943000000000, -0.0002846800000000, -0.0012008200000000 ] - [ -0.0120516700000000, -0.0033697900000000, -0.0065196600000000 ] - [ -0.0015473900000000, -0.0001293100000000, -0.0012709300000000 ] - [ 0.0032331400000000, -0.0023154400000000, -0.0020688700000000 ] - [ 0.0044382700000000, 0.0012867300000000, 0.0004727200000000 ] - [ -0.0012710300000000, 0.0001079800000000, -0.0013523900000000 ] - [ 0.0008734600000000, 0.0003153800000000, 0.0007501200000000 ] - [ -0.0004331100000000, 0.0027900600000000, -0.0039266900000000 ] - [ 0.0012447400000000, -0.0002598700000000, 0.0003233700000000 ] - [ 0.0004310900000000, -0.0017101200000000, -0.0009367400000000 ] - [ 0.0027917300000000, 0.0004924300000000, 0.0016068200000000 ] - [ -0.0055023700000000, -0.0002527000000000, 0.0010744500000000 ] - [ 0.0006886400000000, -0.0001026000000000, 0.0004004900000000 ] - [ -0.0033664100000000, 0.0001596800000000, -0.0001462500000000 ] - [ 0.0015715400000000, -0.0006146400000000, 0.0002968500000000 ] - [ -0.0029782000000000, 0.0002026400000000, -0.0023698200000000 ] - [ 0.0020366300000000, -0.0000889400000000, 0.0011723900000000 ] - [ -0.3624073300000000, -0.1110373200000000, -0.1376708500000000 ] - [ 0.0027759600000000, 0.0004431200000000, 0.0006357500000000 ] - [ -0.0007124300000000, -0.0011108700000000, 0.0006982200000000 ] - [ 0.0006886900000000, 0.0000423700000000, 0.0002560100000000 ] - [ 0.0012490500000000, 0.0006180900000000, 0.0004720100000000 ] - [ 0.0011146600000000, 0.0027911600000000, 0.0011654800000000 ] - [ 0.0039528800000000, 0.0029138200000000, 0.0006069100000000 ] - [ 0.0009772100000000, -0.0001878200000000, 0.0000120300000000 ] - [ -0.0029502100000000, 0.0006683100000000, -0.0027394300000000 ] - [ 0.0024970600000000, -0.0003470200000000, 0.0008087500000000 ] - [ 0.0048719200000000, -0.0024010300000000, 0.0019529900000000 ] - [ 0.0009270000000000, -0.0012956800000000, -0.0009875800000000 ] - [ -0.0020605300000000, 0.0016064100000000, -0.0003814900000000 ] - [ 0.0013978000000000, 0.0007886800000000, 0.0000008600000000 ] - [ 0.0011125800000000, 0.0000077700000000, -0.0000831400000000 ] - [ 0.0019782100000000, 0.0008768300000000, -0.0006342300000000 ] - [ 0.0225532000000000, 0.0042406900000000, 0.0197951000000000 ] - [ 0.0014025900000000, 0.0001314700000000, 0.0011203400000000 ] - [ -0.0018693300000000, 0.0000809100000000, -0.0025419800000000 ] - [ 0.0019496600000000, -0.0006418100000000, 0.0018315600000000 ] - [ -0.0003418400000000, -0.0014950100000000, -0.0003450400000000 ] - [ 0.0004647100000000, 0.0002301100000000, 0.0012233000000000 ] - [ -0.0019829800000000, -0.0019855600000000, -0.0023986600000000 ] - [ 0.0037218500000000, 0.0008626100000000, 0.0024102300000000 ] - [ -0.0006361600000000, 0.0054477500000000, 0.0126345900000000 ] - [ 0.0014432600000000, -0.0000625500000000, 0.0003412400000000 ] - [ -0.0039875100000000, 0.0042434400000000, -0.0034447400000000 ] - [ 0.0015881700000000, 0.0006890500000000, 0.0014815300000000 ] - [ -0.0013981700000000, 0.0052327400000000, -0.0025473300000000 ] - [ 0.0014378600000000, -0.0001215900000000, 0.0004787100000000 ] - [ 0.0021549100000000, 0.0024066400000000, 0.0046054200000000 ] - [ -0.0006290600000000, -0.0003790500000000, 0.0011344700000000 ] - [ -0.0004310000000000, 0.0000899800000000, 0.0001172100000000 ] - [ 0.0019011000000000, 0.0000632200000000, 0.0015242100000000 ] - [ -0.0037434000000000, 0.0001542100000000, -0.0000504200000000 ] - [ 0.0013883500000000, 0.0002647000000000, 0.0006625400000000 ] - [ -0.0021809000000000, 0.0016936400000000, -0.0004136400000000 ] - [ 0.0010672700000000, -0.0000559400000000, -0.0001961900000000 ] - [ -0.0027876900000000, -0.0049709900000000, 0.0005561200000000 ] - [ 0.0023153400000000, -0.0004243900000000, 0.0015547800000000 ] - [ 0.0103595800000000, -0.0027071400000000, -0.0062550500000000 ] - [ 0.0025296200000000, -0.0000243600000000, 0.0000194000000000 ] - [ 0.0007694400000000, 0.0001950800000000, -0.0000251300000000 ] - [ 0.0004639300000000, -0.0009624300000000, -0.0000159500000000 ] - [ 0.0301919100000000, -0.0113365400000000, 0.0182064700000000 ] - [ 0.0013437700000000, -0.0000581000000000, 0.0006500800000000 ] - [ 0.0276868100000000, 0.0276427700000000, -0.0000368400000000 ] - [ 0.0013030700000000, -0.0003096700000000, -0.0004265500000000 ] - [ 0.0005837500000000, 0.0002148300000000, 0.0008358400000000 ] - [ -0.0002567600000000, -0.0026937700000000, 0.0015877300000000 ]- atom: 55 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ -0.0017662200000000, 0.0001886300000000, -0.0004956500000000 ] - [ 0.0022522900000000, -0.0000530900000000, 0.0010746500000000 ] - [ -0.0362534200000000, -0.0286882500000000, 0.0069773600000000 ] - [ 0.0030193000000000, -0.0004422600000000, 0.0000676300000000 ] - [ -0.0071273000000000, -0.0031596000000000, 0.0015238400000000 ] - [ 0.0014111100000000, -0.0003065500000000, 0.0009542700000000 ] - [ 0.0016516200000000, -0.0012553600000000, 0.0010065600000000 ] - [ 0.0010479500000000, 0.0026783100000000, 0.0036844000000000 ] - [ 0.0008150900000000, 0.0013446100000000, -0.0002510900000000 ] - [ 0.0036170100000000, -0.0020505700000000, 0.0076525800000000 ] - [ -0.0065861200000000, -0.0006112800000000, -0.0000163000000000 ] - [ 0.0033856700000000, -0.0004402400000000, 0.0019583800000000 ] - [ -0.0018285700000000, -0.0075279900000000, -0.0069416600000000 ] - [ 0.0029042900000000, 0.0000821100000000, 0.0000404800000000 ] - [ 0.0021638100000000, -0.0009089900000000, 0.0009789800000000 ] - [ 0.0057371500000000, 0.0027703800000000, -0.0037419000000000 ] - [ -0.0070360300000000, 0.0071083300000000, -0.0032853800000000 ] - [ 0.0024303800000000, -0.0001562100000000, 0.0007266000000000 ] - [ 0.0010208100000000, 0.0014564600000000, 0.0008540600000000 ] - [ 0.0008448700000000, -0.0002160400000000, -0.0003352100000000 ] - [ -0.0036611700000000, 0.0000348000000000, -0.0021216500000000 ] - [ 0.0025028600000000, 0.0013633700000000, 0.0009491300000000 ] - [ -0.0019075200000000, -0.0014343800000000, -0.0017877700000000 ] - [ 0.0017728600000000, 0.0010041800000000, 0.0011654000000000 ] - [ -0.0084121800000000, 0.0045723400000000, -0.0011477300000000 ] - [ 0.0029937400000000, 0.0003153600000000, 0.0003318000000000 ] - [ 0.0002100000000000, -0.0011161500000000, 0.0010890800000000 ] - [ 0.0022626300000000, 0.0005415600000000, 0.0019129400000000 ] - [ -0.2274434400000000, -0.0509325400000000, -0.0914845400000000 ] - [ 0.0036522700000000, 0.0000684000000000, 0.0023321100000000 ] - [ -0.0031183400000000, 0.0020229000000000, -0.0032692700000000 ] - [ 0.0032119100000000, -0.0003241100000000, 0.0022907700000000 ] - [ -0.0044016300000000, 0.0017489100000000, -0.0032875900000000 ] - [ 0.0040234900000000, -0.0000096000000000, 0.0009750200000000 ] - [ 0.0006499900000000, 0.0009596200000000, -0.0008938200000000 ] - [ 0.0027067500000000, 0.0004687900000000, -0.0005622200000000 ] - [ 0.0015465100000000, -0.0098848700000000, -0.0049834700000000 ] - [ 0.0058272900000000, 0.0002456600000000, 0.0024508100000000 ] - [ 0.0120332400000000, 0.0028158100000000, 0.0052777700000000 ] - [ 0.0015506700000000, -0.0004299700000000, 0.0000518200000000 ] - [ -0.0012831800000000, 0.0017782000000000, 0.0012403400000000 ] - [ -0.0024881800000000, -0.0018057900000000, -0.0013001800000000 ] - [ 0.0002582900000000, -0.0011132100000000, 0.0011466400000000 ] - [ -0.0018733400000000, -0.0013204600000000, -0.0009437100000000 ] - [ 0.0006442100000000, -0.0023740600000000, 0.0032202300000000 ] - [ -0.0010279700000000, 0.0006592300000000, -0.0009990900000000 ] - [ -0.0011327400000000, 0.0025040800000000, 0.0003415400000000 ] - [ -0.0034789300000000, 0.0003037300000000, -0.0021997300000000 ] - [ 0.0035291300000000, -0.0002862900000000, -0.0002368000000000 ] - [ -0.0026353900000000, -0.0004400100000000, 0.0004364800000000 ] - [ 0.0036244000000000, -0.0007619200000000, 0.0001450200000000 ] - [ -0.0012596900000000, -0.0000321800000000, -0.0003794500000000 ] - [ 0.0020947600000000, -0.0006592700000000, 0.0014603400000000 ] - [ -0.0029221800000000, -0.0003777300000000, -0.0020848500000000 ] - [ 0.3517283700000000, 0.1090418400000000, 0.1279526500000000 ] - [ -0.0025224800000000, -0.0002755800000000, -0.0017149600000000 ] - [ 0.0004094000000000, 0.0004536600000000, -0.0006057300000000 ] - [ -0.0009993000000000, -0.0006870900000000, -0.0001710600000000 ] - [ -0.0002416600000000, 0.0003895000000000, -0.0002739500000000 ] - [ -0.0001129600000000, -0.0017828300000000, -0.0009555500000000 ] - [ -0.0035057400000000, -0.0023261900000000, 0.0006604500000000 ] - [ -0.0005240400000000, 0.0007827400000000, 0.0012416100000000 ] - [ 0.0031857200000000, -0.0008302300000000, 0.0016499600000000 ] - [ -0.0022386800000000, 0.0001785600000000, -0.0018832600000000 ] - [ -0.0038765600000000, 0.0013992400000000, -0.0017563600000000 ] - [ 0.0000746500000000, 0.0002876000000000, 0.0011731000000000 ] - [ 0.0023668700000000, -0.0009467400000000, 0.0002978000000000 ] - [ -0.0010827100000000, -0.0001409600000000, -0.0000854200000000 ] - [ 0.0008510700000000, 0.0005343900000000, -0.0007540500000000 ] - [ -0.0000243800000000, -0.0003334700000000, -0.0002070200000000 ] - [ -0.0230205300000000, -0.0044522200000000, -0.0189902500000000 ] - [ -0.0016478400000000, -0.0002971100000000, -0.0000394400000000 ] - [ 0.0025558200000000, -0.0008569400000000, 0.0031421000000000 ] - [ -0.0012450200000000, -0.0001547100000000, -0.0012265900000000 ] - [ -0.0003452400000000, 0.0006980800000000, -0.0002414700000000 ] - [ -0.0011677100000000, -0.0010260200000000, -0.0018243800000000 ] - [ 0.0028719100000000, 0.0024522800000000, 0.0033256800000000 ] - [ -0.0028241100000000, -0.0003920600000000, -0.0014870200000000 ] - [ 0.0007260400000000, -0.0058284900000000, -0.0133104700000000 ] - [ -0.0012277700000000, -0.0003362500000000, -0.0010170900000000 ] - [ 0.0046814100000000, -0.0034130700000000, 0.0040392700000000 ] - [ -0.0008834200000000, 0.0001041100000000, -0.0008785500000000 ] - [ 0.0004783100000000, -0.0047572700000000, 0.0016404200000000 ] - [ -0.0023241600000000, 0.0005885300000000, -0.0013943800000000 ] - [ -0.0023693200000000, -0.0020150600000000, -0.0039426600000000 ] - [ 0.0004061400000000, 0.0007801100000000, -0.0004507000000000 ] - [ 0.0001862700000000, 0.0000780700000000, 0.0009660100000000 ] - [ -0.0021409700000000, 0.0001027300000000, -0.0004403200000000 ] - [ 0.0017644100000000, 0.0003976200000000, 0.0008970900000000 ] - [ -0.0033353900000000, 0.0002764000000000, 0.0001755500000000 ] - [ 0.0017272300000000, -0.0010985600000000, -0.0008544300000000 ] - [ -0.0015147000000000, 0.0006548800000000, -0.0010622300000000 ] - [ 0.0037041900000000, 0.0044413700000000, 0.0003839200000000 ] - [ -0.0014220300000000, -0.0000446800000000, -0.0006365200000000 ] - [ -0.0107664700000000, 0.0033447900000000, 0.0063967300000000 ] - [ -0.0028275400000000, 0.0006704700000000, 0.0000658000000000 ] - [ -0.0009782900000000, -0.0005969700000000, 0.0007060000000000 ] - [ -0.0006755300000000, 0.0005553900000000, 0.0006883500000000 ] - [ -0.0304948600000000, 0.0120152900000000, -0.0179751800000000 ] - [ -0.0023449700000000, 0.0010627100000000, -0.0008436600000000 ] - [ -0.0276058000000000, -0.0275902900000000, -0.0012215600000000 ] - [ -0.0017490300000000, -0.0002834400000000, -0.0008363000000000 ] - [ -0.0001306500000000, -0.0008107600000000, 0.0004276300000000 ] - [ 0.0006992400000000, 0.0020698600000000, -0.0003175900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002144300000000, -0.0011673900000000, 0.0000509600000000 ] - [ 0.0002607400000000, -0.0003249100000000, -0.0000277500000000 ] - [ 0.0264731200000000, 0.0241514000000000, -0.0081825200000000 ] - [ 0.0002847100000000, 0.0002099200000000, -0.0001685500000000 ] - [ 0.0008848200000000, 0.0086768400000000, -0.0080960100000000 ] - [ -0.0008332800000000, 0.0001476500000000, -0.0001518900000000 ] - [ -0.0001612100000000, -0.0003297800000000, 0.0009322800000000 ] - [ -0.0019390000000000, -0.0027787500000000, -0.0011250700000000 ] - [ -0.0007727800000000, 0.0000101300000000, 0.0001768500000000 ] - [ 0.0004924500000000, 0.0006817700000000, 0.0028316400000000 ] - [ 0.0027775200000000, 0.0009455000000000, -0.0015833300000000 ] - [ -0.0002427900000000, 0.0002193400000000, -0.0004819100000000 ] - [ 0.0032393000000000, -0.0033615600000000, -0.0020506200000000 ] - [ -0.0004452000000000, -0.0006634600000000, -0.0005038700000000 ] - [ -0.0001078100000000, 0.0010797600000000, 0.0005611600000000 ] - [ -0.0051736300000000, -0.0006810900000000, 0.0031620500000000 ] - [ 0.0011609200000000, -0.0074426800000000, -0.0000313100000000 ] - [ -0.0000725800000000, -0.0000110400000000, -0.0002157200000000 ] - [ -0.0015547300000000, -0.0013504700000000, -0.0012407500000000 ] - [ -0.0001417700000000, -0.0005888600000000, -0.0001231300000000 ] - [ 0.0013741400000000, 0.0007432500000000, 0.0023141100000000 ] - [ -0.0002449600000000, 0.0002761200000000, -0.0006649100000000 ] - [ -0.0001797600000000, -0.0008839300000000, 0.0004812300000000 ] - [ -0.0008512800000000, -0.0003754100000000, -0.0003765800000000 ] - [ 0.0025741000000000, -0.0079842800000000, -0.0027262700000000 ] - [ -0.0002999700000000, -0.0003055600000000, -0.0007230400000000 ] - [ 0.0058831100000000, -0.0025557500000000, 0.0037498300000000 ] - [ -0.0008438100000000, -0.0005182700000000, 0.0003700400000000 ] - [ 0.0551467200000000, 0.0678178900000000, 0.0244489000000000 ] - [ -0.0006068300000000, 0.0005896700000000, 0.0004021900000000 ] - [ 0.0001056000000000, -0.0029049700000000, 0.0026149500000000 ] - [ -0.0003574100000000, -0.0004868900000000, 0.0004001500000000 ] - [ 0.0001790000000000, 0.0037736000000000, -0.0022413600000000 ] - [ -0.0003214200000000, 0.0002634600000000, -0.0006932400000000 ] - [ -0.0002801200000000, -0.0002842000000000, -0.0002503300000000 ] - [ -0.0002676900000000, -0.0031409700000000, -0.0006903600000000 ] - [ 0.0009175200000000, 0.0047882700000000, 0.0022478300000000 ] - [ -0.0008009700000000, 0.0022893900000000, -0.0007844100000000 ] - [ -0.0024079900000000, -0.0012244400000000, -0.0018892800000000 ] - [ -0.0005759000000000, 0.0019918600000000, -0.0011265200000000 ] - [ 0.0013831900000000, -0.0014333500000000, -0.0010218600000000 ] - [ 0.0016296700000000, -0.0021186400000000, -0.0004465700000000 ] - [ -0.0002277000000000, 0.0009129400000000, -0.0009109500000000 ] - [ -0.0003510200000000, -0.0001999200000000, -0.0000190100000000 ] - [ 0.0004498500000000, 0.0022919300000000, -0.0025609000000000 ] - [ 0.0001679700000000, 0.0001843200000000, -0.0002617100000000 ] - [ -0.0007581200000000, -0.0003708000000000, -0.0002889800000000 ] - [ 0.0017498500000000, -0.0001488400000000, 0.0016549700000000 ] - [ -0.0024448400000000, 0.0024040900000000, 0.0014193500000000 ] - [ -0.0007072900000000, -0.0001377600000000, 0.0004158700000000 ] - [ 0.0005112000000000, -0.0031988900000000, -0.0014939200000000 ] - [ 0.0003888200000000, -0.0005206900000000, -0.0000283300000000 ] - [ -0.0004365200000000, -0.0006924000000000, -0.0004488700000000 ] - [ -0.0002944300000000, -0.0002697200000000, -0.0004076700000000 ] - [ -0.1092156200000000, -0.1099295400000000, -0.0127496300000000 ] - [ 0.0004807800000000, 0.0000383200000000, -0.0003496600000000 ] - [ -0.0010012900000000, 0.0017896500000000, -0.0006944400000000 ] - [ 0.0001015000000000, 0.0000674700000000, -0.0000639600000000 ] - [ 0.0006753000000000, 0.0007607000000000, 0.0000067000000000 ] - [ 0.0012489000000000, 0.0029939900000000, 0.0008228700000000 ] - [ 0.0008588100000000, 0.0003662200000000, 0.0009861600000000 ] - [ -0.0003923200000000, -0.0002824700000000, 0.0011631800000000 ] - [ -0.0006206400000000, 0.0008301400000000, -0.0014594100000000 ] - [ 0.0003872700000000, -0.0000308200000000, -0.0003817300000000 ] - [ 0.0017107800000000, -0.0012466100000000, 0.0005182800000000 ] - [ 0.0012708100000000, -0.0019492100000000, -0.0003969800000000 ] - [ -0.0001196800000000, 0.0041371600000000, -0.0000528700000000 ] - [ 0.0003833100000000, 0.0005482400000000, -0.0000578200000000 ] - [ -0.0004327000000000, 0.0012761600000000, -0.0000299400000000 ] - [ 0.0014388900000000, 0.0007885600000000, -0.0004813200000000 ] - [ 0.0042349000000000, -0.0025194700000000, 0.0057063800000000 ] - [ 0.0000895800000000, -0.0004630700000000, 0.0006589300000000 ] - [ -0.0002831100000000, -0.0004339800000000, 0.0025273400000000 ] - [ 0.0005541100000000, -0.0004174300000000, 0.0004494300000000 ] - [ -0.0015367400000000, -0.0005933000000000, -0.0017304400000000 ] - [ 0.0000846100000000, -0.0001132800000000, 0.0002325700000000 ] - [ -0.0010942200000000, -0.0004675200000000, 0.0001072600000000 ] - [ 0.0011848900000000, -0.0000186600000000, 0.0011930500000000 ] - [ 0.0081053200000000, -0.0034152400000000, 0.0144384200000000 ] - [ 0.0002936500000000, -0.0002821000000000, -0.0003113600000000 ] - [ -0.0006350000000000, 0.0076199700000000, -0.0027579900000000 ] - [ 0.0005149800000000, 0.0005122500000000, 0.0004808600000000 ] - [ 0.0012149000000000, 0.0053969600000000, -0.0003869900000000 ] - [ -0.0002863400000000, 0.0002826800000000, -0.0003341100000000 ] - [ 0.0003320800000000, 0.0006855800000000, 0.0012621100000000 ] - [ 0.0000334400000000, -0.0008004400000000, 0.0000974900000000 ] - [ -0.0001336400000000, 0.0003423900000000, 0.0002425200000000 ] - [ -0.0001067400000000, 0.0007257400000000, 0.0005930900000000 ] - [ -0.0012487700000000, -0.0014421000000000, 0.0002545100000000 ] - [ -0.0006557700000000, 0.0001989300000000, 0.0004656100000000 ] - [ -0.0006838700000000, 0.0014023800000000, -0.0004027000000000 ] - [ -0.0002200200000000, 0.0002806400000000, -0.0005294800000000 ] - [ -0.0035197700000000, 0.0074328500000000, -0.0039771300000000 ] - [ 0.0009333500000000, -0.0002467700000000, 0.0007516800000000 ] - [ 0.0030135500000000, -0.0014273800000000, -0.0012603800000000 ] - [ -0.0003682700000000, -0.0007097500000000, -0.0000658300000000 ] - [ 0.0003086200000000, 0.0000596400000000, 0.0000996800000000 ] - [ -0.0004479700000000, 0.0009237100000000, 0.0000612100000000 ] - [ -0.0217771000000000, -0.0021174600000000, -0.0090938000000000 ] - [ -0.0001062200000000, 0.0002777100000000, -0.0000230200000000 ] - [ 0.0320364100000000, 0.0120475600000000, -0.0004768400000000 ] - [ -0.0000552600000000, -0.0004130400000000, -0.0005810600000000 ] - [ 0.0003222700000000, -0.0000451500000000, 0.0006190100000000 ] - [ -0.0004178800000000, 0.0015857800000000, 0.0007137200000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006726800000000, 0.0009872400000000, -0.0000953000000000 ] - [ 0.0006346200000000, 0.0001434700000000, -0.0000179400000000 ] - [ -0.0269813400000000, -0.0244438600000000, 0.0083955600000000 ] - [ 0.0006135500000000, -0.0000293800000000, 0.0001192000000000 ] - [ -0.0018359200000000, -0.0089395300000000, 0.0079218500000000 ] - [ -0.0000541800000000, -0.0003301100000000, 0.0002033300000000 ] - [ -0.0001429700000000, -0.0007535900000000, -0.0000362800000000 ] - [ 0.0016459900000000, 0.0017261600000000, 0.0020331900000000 ] - [ 0.0002068100000000, 0.0000615100000000, -0.0000817100000000 ] - [ -0.0010440900000000, -0.0006206000000000, -0.0027024000000000 ] - [ -0.0022336000000000, -0.0010206000000000, 0.0014999800000000 ] - [ 0.0008195200000000, -0.0002907800000000, 0.0003915300000000 ] - [ -0.0029677400000000, 0.0022478600000000, 0.0011267100000000 ] - [ 0.0007604900000000, -0.0004225100000000, -0.0003873300000000 ] - [ -0.0001941000000000, 0.0000070000000000, 0.0003343800000000 ] - [ 0.0048553900000000, 0.0017678700000000, -0.0022640900000000 ] - [ -0.0006192400000000, 0.0075216300000000, -0.0000730500000000 ] - [ 0.0006473100000000, 0.0000804200000000, 0.0001238200000000 ] - [ 0.0010016000000000, 0.0012809700000000, 0.0013424000000000 ] - [ -0.0004263500000000, 0.0005177700000000, 0.0002155400000000 ] - [ -0.0010849300000000, 0.0003347800000000, -0.0032238000000000 ] - [ 0.0005605700000000, 0.0008074000000000, -0.0002258100000000 ] - [ -0.0007089900000000, 0.0010670100000000, -0.0004419300000000 ] - [ -0.0000357300000000, 0.0005581100000000, 0.0004255500000000 ] - [ -0.0024465300000000, 0.0079838100000000, 0.0014643900000000 ] - [ 0.0004549800000000, 0.0002728100000000, -0.0005377000000000 ] - [ -0.0060081600000000, 0.0025965300000000, -0.0024709100000000 ] - [ 0.0006970100000000, 0.0005551400000000, 0.0009022200000000 ] - [ -0.0554122400000000, -0.0680231000000000, -0.0233004700000000 ] - [ 0.0006059300000000, -0.0000365800000000, 0.0008224400000000 ] - [ -0.0001309500000000, 0.0023664900000000, -0.0013942700000000 ] - [ 0.0003566800000000, -0.0000673100000000, 0.0008232700000000 ] - [ -0.0000366100000000, -0.0037702300000000, 0.0009827000000000 ] - [ 0.0004797900000000, -0.0002278300000000, -0.0005658000000000 ] - [ 0.0002988700000000, 0.0008386800000000, -0.0009703500000000 ] - [ 0.0002828000000000, 0.0036922700000000, -0.0005342200000000 ] - [ -0.0010591100000000, -0.0048324900000000, -0.0009991800000000 ] - [ 0.0006764800000000, -0.0023100500000000, 0.0020404700000000 ] - [ 0.0024094800000000, 0.0006679800000000, 0.0006650600000000 ] - [ 0.0005829700000000, -0.0025426200000000, -0.0000941200000000 ] - [ 0.0005680200000000, 0.0008853800000000, 0.0001872700000000 ] - [ 0.0003019900000000, 0.0015644000000000, -0.0003885900000000 ] - [ -0.0007714400000000, -0.0019197400000000, 0.0007192200000000 ] - [ -0.0006540300000000, -0.0008010100000000, -0.0001789700000000 ] - [ -0.0002394000000000, -0.0018917100000000, 0.0018837600000000 ] - [ 0.0000327300000000, 0.0002175600000000, -0.0004131000000000 ] - [ 0.0000564100000000, 0.0011676900000000, -0.0003099400000000 ] - [ -0.0024460400000000, 0.0009456300000000, -0.0022501600000000 ] - [ 0.0005094600000000, -0.0029627900000000, -0.0005844900000000 ] - [ -0.0012519100000000, -0.0004116900000000, 0.0004222700000000 ] - [ -0.0002003100000000, 0.0025670400000000, 0.0014186800000000 ] - [ -0.0000789500000000, -0.0001242400000000, -0.0000623200000000 ] - [ -0.0004589300000000, 0.0002311900000000, -0.0004714800000000 ] - [ -0.0006106700000000, -0.0001961100000000, -0.0005188900000000 ] - [ 0.1107895500000000, 0.1113768400000000, 0.0117766000000000 ] - [ -0.0002392700000000, 0.0001262700000000, -0.0007306400000000 ] - [ 0.0006841800000000, -0.0024279800000000, 0.0007740900000000 ] - [ -0.0004170600000000, -0.0007095300000000, 0.0001516200000000 ] - [ 0.0003198500000000, 0.0002357400000000, 0.0001854000000000 ] - [ -0.0002503300000000, -0.0020047300000000, -0.0006243400000000 ] - [ -0.0004088000000000, 0.0002237300000000, 0.0002758500000000 ] - [ 0.0008448900000000, 0.0008725400000000, 0.0001022600000000 ] - [ 0.0008807800000000, -0.0010015700000000, 0.0003877600000000 ] - [ -0.0001397200000000, -0.0001352600000000, -0.0006959200000000 ] - [ -0.0007177500000000, 0.0002494300000000, -0.0003262400000000 ] - [ -0.0002672000000000, 0.0009456200000000, 0.0005881600000000 ] - [ 0.0004357500000000, -0.0035040500000000, -0.0000321100000000 ] - [ -0.0000718500000000, 0.0000947500000000, -0.0000311100000000 ] - [ 0.0023777300000000, -0.0007296800000000, -0.0008087400000000 ] - [ 0.0005184500000000, -0.0002403700000000, -0.0003596700000000 ] - [ -0.0044761600000000, 0.0023829200000000, -0.0046452600000000 ] - [ -0.0003379300000000, 0.0002963400000000, 0.0004189800000000 ] - [ 0.0009957400000000, -0.0003628500000000, -0.0019403300000000 ] - [ 0.0001418600000000, -0.0003793600000000, 0.0001494900000000 ] - [ 0.0008357200000000, -0.0002107200000000, 0.0011225400000000 ] - [ -0.0007865700000000, -0.0006886400000000, -0.0008417600000000 ] - [ 0.0019968200000000, 0.0009331200000000, 0.0008211900000000 ] - [ -0.0002986100000000, 0.0004802100000000, -0.0002755200000000 ] - [ -0.0079229900000000, 0.0028899500000000, -0.0150660100000000 ] - [ -0.0000929200000000, -0.0001187300000000, -0.0003612900000000 ] - [ 0.0013464200000000, -0.0068898000000000, 0.0034186800000000 ] - [ 0.0001816000000000, 0.0002832700000000, 0.0001181100000000 ] - [ -0.0021361200000000, -0.0049969900000000, -0.0005419500000000 ] - [ -0.0006160900000000, 0.0001854700000000, -0.0005891100000000 ] - [ -0.0005409100000000, -0.0002892700000000, -0.0005996100000000 ] - [ -0.0002368900000000, 0.0012045400000000, 0.0005773600000000 ] - [ -0.0001197600000000, -0.0001755500000000, 0.0008325200000000 ] - [ -0.0001454900000000, -0.0005582500000000, 0.0004839000000000 ] - [ -0.0007021700000000, 0.0020032100000000, 0.0005859900000000 ] - [ -0.0013064000000000, 0.0003510600000000, 0.0003730500000000 ] - [ 0.0002438400000000, -0.0008284100000000, -0.0008708000000000 ] - [ -0.0002401200000000, 0.0003105900000000, -0.0007329900000000 ] - [ 0.0044000300000000, -0.0078173200000000, 0.0048517700000000 ] - [ -0.0000403900000000, -0.0002197700000000, 0.0001660200000000 ] - [ -0.0033520700000000, 0.0020687600000000, 0.0013556000000000 ] - [ 0.0000447200000000, 0.0013485300000000, 0.0001572700000000 ] - [ -0.0005198400000000, -0.0004609900000000, 0.0005765500000000 ] - [ 0.0002426800000000, -0.0013201700000000, 0.0006139400000000 ] - [ 0.0208111500000000, 0.0031857700000000, 0.0088590700000000 ] - [ -0.0008981000000000, 0.0007225800000000, -0.0001735200000000 ] - [ -0.0320099300000000, -0.0125247800000000, -0.0008550600000000 ] - [ -0.0003995400000000, -0.0001724500000000, -0.0006858700000000 ] - [ 0.0001257500000000, -0.0005391100000000, 0.0006466100000000 ] - [ 0.0008757800000000, -0.0021582600000000, 0.0005472600000000 ]- atom: 55 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0008397300000000, -0.0006437200000000, -0.0009095900000000 ] - [ 0.0002176100000000, -0.0000907000000000, -0.0000279800000000 ] - [ -0.0183080300000000, -0.0177190600000000, 0.0084334100000000 ] - [ 0.0003320600000000, 0.0001685500000000, -0.0000525100000000 ] - [ -0.0015012300000000, -0.0074395000000000, 0.0153231500000000 ] - [ -0.0006601900000000, 0.0000658400000000, -0.0001572900000000 ] - [ -0.0001339100000000, -0.0008935300000000, -0.0004861200000000 ] - [ -0.0040751100000000, -0.0053034700000000, -0.0005809600000000 ] - [ 0.0002725300000000, 0.0006013500000000, -0.0014572200000000 ] - [ -0.0006987100000000, 0.0008436300000000, 0.0006249000000000 ] - [ 0.0045007400000000, 0.0005725700000000, -0.0061590300000000 ] - [ -0.0000090800000000, -0.0000476800000000, -0.0003963000000000 ] - [ 0.0016321800000000, -0.0014131100000000, 0.0010365300000000 ] - [ -0.0000969400000000, -0.0004835300000000, -0.0002040600000000 ] - [ -0.0003812000000000, 0.0004907400000000, 0.0013809000000000 ] - [ 0.0024432500000000, 0.0009989100000000, -0.0009872700000000 ] - [ 0.0001558800000000, 0.0032691000000000, 0.0011601800000000 ] - [ 0.0000835700000000, -0.0000578400000000, -0.0000754600000000 ] - [ -0.0001815600000000, 0.0002196700000000, 0.0007251700000000 ] - [ -0.0001972800000000, -0.0000385000000000, -0.0000660800000000 ] - [ 0.0000061300000000, 0.0006900600000000, -0.0019740500000000 ] - [ -0.0000924300000000, 0.0004517100000000, -0.0007370400000000 ] - [ 0.0002226300000000, -0.0009661200000000, -0.0003056500000000 ] - [ -0.0005144600000000, 0.0001192700000000, 0.0000731700000000 ] - [ -0.0003470500000000, 0.0025685600000000, 0.0040137800000000 ] - [ -0.0000748000000000, -0.0000214500000000, -0.0007714000000000 ] - [ -0.0043303500000000, 0.0018779300000000, -0.0010085300000000 ] - [ -0.0000295400000000, -0.0006884300000000, -0.0003407500000000 ] - [ -0.0091049500000000, -0.0018475000000000, 0.0547892700000000 ] - [ 0.0001224800000000, 0.0000790600000000, 0.0004179000000000 ] - [ 0.0016678700000000, -0.0012335100000000, -0.0017793700000000 ] - [ -0.0005495000000000, -0.0002737300000000, 0.0005827900000000 ] - [ 0.0034920300000000, -0.0080122200000000, -0.0060353100000000 ] - [ -0.0004017400000000, 0.0000741400000000, -0.0007193600000000 ] - [ 0.0002176500000000, 0.0002135400000000, -0.0007486100000000 ] - [ -0.0002585000000000, 0.0003133800000000, -0.0005774800000000 ] - [ 0.0030731800000000, -0.0045101200000000, -0.0011959100000000 ] - [ -0.0010460400000000, -0.0011267000000000, 0.0022090700000000 ] - [ -0.0028062300000000, -0.0009901400000000, -0.0023906600000000 ] - [ 0.0006921000000000, -0.0005751600000000, -0.0016994700000000 ] - [ -0.0007269000000000, 0.0006155600000000, 0.0010963100000000 ] - [ 0.0032539600000000, -0.0011362900000000, -0.0012406900000000 ] - [ -0.0008224500000000, -0.0004195400000000, 0.0005394900000000 ] - [ -0.0002429700000000, -0.0004098800000000, 0.0000298700000000 ] - [ -0.0008081300000000, -0.0005010900000000, 0.0015239900000000 ] - [ 0.0003386400000000, 0.0001975000000000, -0.0004371100000000 ] - [ -0.0009676100000000, 0.0013843900000000, -0.0010086200000000 ] - [ -0.0011103900000000, 0.0007569800000000, -0.0012519100000000 ] - [ -0.0002022400000000, -0.0007408500000000, -0.0009083000000000 ] - [ -0.0009043900000000, -0.0002636400000000, 0.0004427000000000 ] - [ -0.0054236200000000, 0.0043855100000000, 0.0114001000000000 ] - [ 0.0003783600000000, -0.0004041800000000, -0.0000622000000000 ] - [ 0.0000828800000000, 0.0010087600000000, 0.0011160200000000 ] - [ -0.0001477200000000, -0.0002864100000000, -0.0003083100000000 ] - [ 0.0190504100000000, 0.0319465100000000, -0.0922818100000000 ] - [ 0.0001593800000000, 0.0001154600000000, -0.0004914300000000 ] - [ 0.0004375500000000, -0.0014933300000000, 0.0006827700000000 ] - [ -0.0001098200000000, -0.0001181700000000, 0.0001611800000000 ] - [ 0.0004692000000000, 0.0005357700000000, 0.0002633800000000 ] - [ 0.0007686500000000, 0.0008271000000000, -0.0012551600000000 ] - [ 0.0013363500000000, 0.0013328500000000, 0.0001523900000000 ] - [ -0.0001494400000000, 0.0002194600000000, 0.0008128500000000 ] - [ -0.0006836200000000, 0.0004702600000000, 0.0001183000000000 ] - [ 0.0004304400000000, -0.0001235700000000, -0.0004341100000000 ] - [ 0.0014535200000000, -0.0009014600000000, 0.0004014900000000 ] - [ -0.0001895600000000, -0.0002460000000000, 0.0009822200000000 ] - [ 0.0001927400000000, -0.0003927600000000, -0.0011124400000000 ] - [ 0.0001804000000000, 0.0003257500000000, 0.0000106200000000 ] - [ 0.0022642400000000, -0.0000877500000000, -0.0009461000000000 ] - [ 0.0006877500000000, 0.0003103000000000, -0.0001260800000000 ] - [ 0.0087392400000000, 0.0029660000000000, 0.0024458500000000 ] - [ -0.0001886000000000, -0.0000566100000000, 0.0006938100000000 ] - [ -0.0006847000000000, 0.0013274300000000, 0.0015377200000000 ] - [ 0.0005467100000000, -0.0004405600000000, 0.0004140700000000 ] - [ 0.0007619100000000, -0.0009343400000000, 0.0012075200000000 ] - [ 0.0000801400000000, 0.0002210900000000, 0.0005812800000000 ] - [ -0.0010767600000000, 0.0010103700000000, 0.0018376100000000 ] - [ 0.0007697700000000, 0.0005456100000000, 0.0002444000000000 ] - [ 0.0228560100000000, 0.0157113800000000, 0.0215936800000000 ] - [ 0.0000056900000000, -0.0001480500000000, -0.0001172500000000 ] - [ 0.0010134300000000, -0.0046171900000000, 0.0009358500000000 ] - [ 0.0004280800000000, 0.0003994800000000, 0.0004363800000000 ] - [ -0.0013225500000000, 0.0004763900000000, -0.0015525500000000 ] - [ -0.0003493300000000, 0.0001921500000000, -0.0003830700000000 ] - [ 0.0002354800000000, 0.0004392100000000, 0.0011091300000000 ] - [ -0.0002419600000000, -0.0001239200000000, 0.0011775300000000 ] - [ -0.0003936800000000, 0.0003515800000000, 0.0008327500000000 ] - [ -0.0000160300000000, 0.0000408400000000, 0.0005072800000000 ] - [ -0.0045782600000000, 0.0012710500000000, 0.0032954400000000 ] - [ -0.0006711900000000, 0.0002926100000000, 0.0004280700000000 ] - [ -0.0017359900000000, 0.0022125100000000, 0.0014396700000000 ] - [ 0.0000593100000000, 0.0002168200000000, -0.0005857400000000 ] - [ 0.0031459800000000, -0.0065459000000000, 0.0023078600000000 ] - [ 0.0007228800000000, -0.0001524200000000, 0.0008219200000000 ] - [ -0.0068707100000000, 0.0023226400000000, 0.0023977600000000 ] - [ 0.0002600500000000, 0.0002089300000000, -0.0003180200000000 ] - [ -0.0001400200000000, -0.0002335300000000, 0.0002317500000000 ] - [ -0.0000366800000000, -0.0001164700000000, -0.0000060100000000 ] - [ 0.0014895700000000, 0.0012508600000000, -0.0115323900000000 ] - [ -0.0007412600000000, 0.0004832800000000, -0.0001604500000000 ] - [ -0.0157549600000000, -0.0141919300000000, -0.0092624100000000 ] - [ -0.0002680100000000, -0.0002449000000000, -0.0006524200000000 ] - [ 0.0001526500000000, -0.0002281100000000, 0.0008680000000000 ] - [ 0.0006353600000000, -0.0000558400000000, 0.0004288200000000 ]- atom: 55 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0000478900000000, 0.0004715000000000, 0.0008609200000000 ] - [ 0.0006758200000000, -0.0000917300000000, -0.0000180200000000 ] - [ 0.0189018800000000, 0.0175187500000000, -0.0087969300000000 ] - [ 0.0005658600000000, 0.0000120600000000, 0.0000000700000000 ] - [ 0.0002026300000000, 0.0078182500000000, -0.0162594100000000 ] - [ -0.0002247600000000, -0.0002488600000000, 0.0002093700000000 ] - [ -0.0001688000000000, -0.0001955300000000, 0.0013776700000000 ] - [ 0.0037610000000000, 0.0042251000000000, 0.0014841500000000 ] - [ -0.0008329700000000, -0.0005260700000000, 0.0015542700000000 ] - [ 0.0001411400000000, -0.0007796000000000, -0.0004864200000000 ] - [ -0.0039647800000000, -0.0006584500000000, 0.0060584400000000 ] - [ 0.0005897300000000, -0.0000259100000000, 0.0003065100000000 ] - [ -0.0013444500000000, 0.0002999800000000, -0.0019783200000000 ] - [ 0.0004133200000000, -0.0006032600000000, -0.0006856400000000 ] - [ 0.0000784900000000, 0.0005944600000000, -0.0004840300000000 ] - [ -0.0027289900000000, 0.0000995300000000, 0.0018587700000000 ] - [ 0.0003946300000000, -0.0031695200000000, -0.0012665500000000 ] - [ 0.0004931900000000, 0.0001274400000000, -0.0000171400000000 ] - [ -0.0003839700000000, -0.0002890100000000, -0.0006280900000000 ] - [ -0.0003713300000000, -0.0000324900000000, 0.0001572800000000 ] - [ 0.0002807800000000, 0.0004016500000000, 0.0010780400000000 ] - [ 0.0004096000000000, 0.0006350000000000, -0.0001527300000000 ] - [ -0.0011154000000000, 0.0011379000000000, 0.0003542800000000 ] - [ -0.0003678900000000, 0.0000660200000000, -0.0000208000000000 ] - [ 0.0004794600000000, -0.0025872500000000, -0.0052754000000000 ] - [ 0.0002314100000000, -0.0000105500000000, -0.0004894900000000 ] - [ 0.0041834100000000, -0.0018377600000000, 0.0022758900000000 ] - [ -0.0001144900000000, 0.0007212600000000, 0.0016063100000000 ] - [ 0.0078254200000000, 0.0020127700000000, -0.0545839200000000 ] - [ -0.0001142200000000, 0.0004736400000000, 0.0008104100000000 ] - [ -0.0016814800000000, 0.0006872000000000, 0.0029833800000000 ] - [ 0.0005546100000000, -0.0002812300000000, 0.0006443400000000 ] - [ -0.0033550200000000, 0.0081001100000000, 0.0047817000000000 ] - [ 0.0005614700000000, -0.0000390300000000, -0.0005387000000000 ] - [ -0.0002069500000000, 0.0003416800000000, -0.0004722000000000 ] - [ 0.0002684800000000, 0.0002341000000000, -0.0006482400000000 ] - [ -0.0031979700000000, 0.0044595500000000, 0.0024567700000000 ] - [ 0.0009203200000000, 0.0010987900000000, -0.0009377900000000 ] - [ 0.0028100500000000, 0.0004379900000000, 0.0011677500000000 ] - [ -0.0006913600000000, 0.0000233600000000, 0.0004720000000000 ] - [ 0.0026652900000000, -0.0011556300000000, -0.0019291300000000 ] - [ -0.0013129200000000, 0.0005776600000000, 0.0003984800000000 ] - [ -0.0001810900000000, -0.0005906100000000, -0.0007347100000000 ] - [ -0.0007673300000000, -0.0005970500000000, -0.0002327100000000 ] - [ 0.0010238700000000, 0.0008896200000000, -0.0021834200000000 ] - [ -0.0001283400000000, 0.0002027500000000, -0.0002425900000000 ] - [ 0.0002563600000000, -0.0005863900000000, 0.0004001900000000 ] - [ 0.0003937100000000, 0.0000344800000000, 0.0006419400000000 ] - [ -0.0017333500000000, 0.0001928900000000, 0.0017431000000000 ] - [ -0.0010504200000000, -0.0002808700000000, 0.0003936000000000 ] - [ 0.0058110800000000, -0.0050569200000000, -0.0116550400000000 ] - [ -0.0000738800000000, -0.0002396600000000, -0.0000216700000000 ] - [ -0.0009786200000000, -0.0014914400000000, -0.0020361300000000 ] - [ -0.0007505900000000, -0.0001834400000000, -0.0006153200000000 ] - [ -0.0168948500000000, -0.0319170700000000, 0.0934682900000000 ] - [ 0.0000772300000000, 0.0000477900000000, -0.0005946800000000 ] - [ -0.0007471400000000, 0.0008483900000000, -0.0006038100000000 ] - [ -0.0002017500000000, -0.0005238600000000, -0.0000798600000000 ] - [ 0.0005313700000000, 0.0004678000000000, -0.0000664700000000 ] - [ 0.0002380700000000, 0.0001779100000000, 0.0014521000000000 ] - [ -0.0008909100000000, -0.0007437800000000, 0.0011095600000000 ] - [ 0.0006013500000000, 0.0003751000000000, 0.0004530000000000 ] - [ 0.0009397300000000, -0.0006382800000000, -0.0011926600000000 ] - [ -0.0001877300000000, -0.0000413600000000, -0.0006507100000000 ] - [ -0.0004591100000000, -0.0001000300000000, -0.0002061200000000 ] - [ 0.0011980300000000, -0.0007567700000000, -0.0007741600000000 ] - [ 0.0001214600000000, 0.0010340800000000, 0.0010283300000000 ] - [ 0.0001249400000000, 0.0003160400000000, -0.0000923400000000 ] - [ -0.0003185200000000, 0.0006318400000000, 0.0001098500000000 ] - [ 0.0012604100000000, 0.0002329300000000, -0.0007103000000000 ] - [ -0.0090347600000000, -0.0031334100000000, -0.0013723200000000 ] - [ -0.0000575300000000, -0.0001097100000000, 0.0003896500000000 ] - [ 0.0014036500000000, -0.0021410400000000, -0.0009377800000000 ] - [ 0.0001549100000000, -0.0003514200000000, 0.0001841700000000 ] - [ -0.0014636300000000, 0.0001382600000000, -0.0018078800000000 ] - [ -0.0007857100000000, -0.0010132300000000, -0.0011879000000000 ] - [ 0.0019611200000000, -0.0005270400000000, -0.0009140100000000 ] - [ 0.0001079000000000, -0.0000783200000000, 0.0006646500000000 ] - [ -0.0223828700000000, -0.0158951100000000, -0.0220271400000000 ] - [ 0.0002018200000000, -0.0002515000000000, -0.0005595400000000 ] - [ -0.0002934000000000, 0.0053765800000000, -0.0003226000000000 ] - [ 0.0002742300000000, 0.0003909300000000, 0.0001637300000000 ] - [ 0.0004274500000000, -0.0000165400000000, 0.0006365200000000 ] - [ -0.0005468100000000, 0.0002791600000000, -0.0005366100000000 ] - [ -0.0004553000000000, -0.0000451400000000, -0.0004409700000000 ] - [ 0.0000328200000000, 0.0005255200000000, -0.0004990100000000 ] - [ 0.0001444000000000, -0.0001859000000000, 0.0002466800000000 ] - [ -0.0002345200000000, 0.0001251300000000, 0.0005723700000000 ] - [ 0.0026550500000000, -0.0007401300000000, -0.0024634900000000 ] - [ -0.0012857700000000, 0.0002514100000000, 0.0004076900000000 ] - [ 0.0012898600000000, -0.0016207900000000, -0.0026997500000000 ] - [ -0.0005172100000000, 0.0003792300000000, -0.0006757700000000 ] - [ -0.0022567200000000, 0.0061229400000000, -0.0013891400000000 ] - [ 0.0001635000000000, -0.0003173800000000, 0.0000932900000000 ] - [ 0.0065097900000000, -0.0016673400000000, -0.0023012300000000 ] - [ -0.0005812200000000, 0.0004300200000000, 0.0003989900000000 ] - [ -0.0000772800000000, -0.0001658700000000, 0.0004446300000000 ] - [ -0.0001776700000000, -0.0002769200000000, 0.0006834500000000 ] - [ -0.0026551200000000, -0.0002245400000000, 0.0112672800000000 ] - [ -0.0002702600000000, 0.0005220500000000, -0.0000425900000000 ] - [ 0.0153320200000000, 0.0137050100000000, 0.0080787600000000 ] - [ -0.0001867900000000, -0.0003464600000000, -0.0006129600000000 ] - [ 0.0002930800000000, -0.0003645700000000, 0.0003939000000000 ] - [ -0.0001811500000000, -0.0005218700000000, 0.0008297900000000 ]- atom: 61 displacement: [ 0.0099999825882532, 0.0000000000000000, -0.0000186610458689 ] forces: - [ 0.0002163700000000, 0.0006980300000000, 0.0012701900000000 ] - [ -0.0012290900000000, -0.0023328600000000, -0.0019459100000000 ] - [ -0.0012504800000000, 0.0007308700000000, -0.0067144400000000 ] - [ -0.0005014100000000, 0.0001565700000000, -0.0002533500000000 ] - [ -0.0074534300000000, -0.0050029000000000, 0.0006376300000000 ] - [ -0.0018507600000000, 0.0005436400000000, 0.0001380700000000 ] - [ 0.0019389900000000, -0.0012064900000000, 0.0020608800000000 ] - [ -0.0014653200000000, -0.0006404600000000, -0.0002355300000000 ] - [ -0.0008308100000000, 0.0009160100000000, 0.0052460500000000 ] - [ -0.0025084200000000, 0.0003295300000000, -0.0012287700000000 ] - [ -0.0006258100000000, -0.0004406700000000, -0.0003251700000000 ] - [ 0.0012997500000000, 0.0006116200000000, -0.0003702500000000 ] - [ -0.0014098900000000, -0.0004126000000000, -0.0008338000000000 ] - [ 0.0005808400000000, -0.0055124600000000, 0.0022173600000000 ] - [ 0.0023063800000000, 0.0010050300000000, 0.0017275900000000 ] - [ -0.0015481200000000, 0.0004164900000000, 0.0000793000000000 ] - [ -0.0009890400000000, 0.0000111700000000, -0.0005280600000000 ] - [ 0.0002953600000000, -0.0006127500000000, 0.0001224100000000 ] - [ 0.0130359900000000, -0.0143373100000000, 0.0000799100000000 ] - [ -0.0016278200000000, 0.0000089300000000, -0.0003882200000000 ] - [ -0.0012749300000000, 0.0006312100000000, -0.0013451800000000 ] - [ 0.0047958000000000, 0.0026271700000000, -0.0002753500000000 ] - [ 0.0006503000000000, -0.0002383300000000, -0.0002639100000000 ] - [ -0.0011266000000000, -0.0000158900000000, -0.0002957600000000 ] - [ -0.0034969200000000, 0.0022895700000000, -0.0027610000000000 ] - [ -0.0019789200000000, 0.0000387800000000, 0.0002958900000000 ] - [ 0.0031039300000000, -0.0003631900000000, 0.0000854300000000 ] - [ -0.0016801700000000, -0.0005947100000000, 0.0003785500000000 ] - [ -0.0039762700000000, -0.0005660100000000, -0.0015651900000000 ] - [ -0.0022500300000000, 0.0049281500000000, 0.0014998400000000 ] - [ -0.0010310800000000, -0.0003884500000000, 0.0003031700000000 ] - [ 0.0005930600000000, -0.0013766700000000, 0.0005868100000000 ] - [ -0.0014352000000000, 0.0018106700000000, 0.0002405500000000 ] - [ -0.0018969200000000, 0.0075448700000000, -0.0091634900000000 ] - [ -0.0000184800000000, -0.0004281200000000, 0.0064711600000000 ] - [ -0.0019472300000000, 0.0001832300000000, -0.0018134400000000 ] - [ 0.0012894900000000, -0.0017550900000000, 0.0008646300000000 ] - [ -0.0015350100000000, 0.0004803700000000, -0.0000775600000000 ] - [ 0.1064249700000000, 0.0788001700000000, -0.0622575500000000 ] - [ -0.0021638000000000, -0.0002719800000000, -0.0015195200000000 ] - [ -0.0000110100000000, 0.0003755300000000, -0.0011396600000000 ] - [ 0.0020027600000000, -0.0005849500000000, -0.0001820000000000 ] - [ 0.0001256400000000, -0.0003964800000000, 0.0003130900000000 ] - [ -0.0025383700000000, 0.0014087900000000, 0.0014826500000000 ] - [ 0.0007491200000000, 0.0001744900000000, -0.0003377200000000 ] - [ -0.0004961900000000, 0.0005518800000000, -0.0003260500000000 ] - [ -0.0012850100000000, 0.0011441600000000, -0.0008854800000000 ] - [ 0.0003254600000000, 0.0001906800000000, 0.0003712500000000 ] - [ 0.0006209600000000, -0.0007638700000000, 0.0004828800000000 ] - [ 0.0002277600000000, 0.0008593300000000, -0.0003769400000000 ] - [ 0.0022609600000000, -0.0010049800000000, -0.0011060500000000 ] - [ 0.0007651700000000, -0.0024092300000000, 0.0005725700000000 ] - [ -0.0001686500000000, -0.0008966500000000, -0.0009774500000000 ] - [ 0.0026159600000000, -0.0010107000000000, 0.0033185000000000 ] - [ 0.0038652700000000, 0.0007161400000000, 0.0022740000000000 ] - [ 0.0008747600000000, -0.0005343700000000, -0.0006263000000000 ] - [ -0.0001627300000000, -0.0011023800000000, -0.0004418300000000 ] - [ 0.0007845300000000, 0.0003573700000000, -0.0000343400000000 ] - [ 0.0004543800000000, 0.0012753800000000, -0.0016690900000000 ] - [ 0.0014226600000000, 0.0008564000000000, 0.0007022800000000 ] - [ -0.1479536300000000, -0.0960162300000000, 0.0811209600000000 ] - [ 0.0011296100000000, 0.0004173300000000, 0.0007200100000000 ] - [ 0.0004799400000000, -0.0001815200000000, -0.0004645200000000 ] - [ -0.0003453200000000, 0.0005599600000000, -0.0002978000000000 ] - [ -0.0082610200000000, -0.0110462200000000, 0.0031872100000000 ] - [ 0.0014718600000000, -0.0008207300000000, 0.0005412000000000 ] - [ 0.0003849400000000, -0.0008408300000000, 0.0007483200000000 ] - [ 0.0008029700000000, 0.0007471900000000, -0.0003908100000000 ] - [ -0.0015717600000000, 0.0011388400000000, 0.0000791900000000 ] - [ 0.0020178200000000, 0.0004066800000000, -0.0005171600000000 ] - [ 0.0277674500000000, 0.0322654400000000, -0.0045567100000000 ] - [ 0.0014042600000000, 0.0000888500000000, 0.0011489300000000 ] - [ 0.0010004100000000, -0.0008808400000000, 0.0004141800000000 ] - [ 0.0123341100000000, -0.0014750400000000, 0.0105414700000000 ] - [ -0.0017524100000000, 0.0009883900000000, -0.0017316800000000 ] - [ 0.0003313000000000, -0.0002188700000000, 0.0003029100000000 ] - [ 0.0001678900000000, 0.0006565200000000, 0.0002563500000000 ] - [ 0.0012333300000000, 0.0001159500000000, 0.0010692200000000 ] - [ 0.0009816000000000, 0.0003805800000000, 0.0008237500000000 ] - [ 0.0000052700000000, -0.0013142500000000, -0.0023004100000000 ] - [ 0.0016779000000000, 0.0003683100000000, 0.0021394500000000 ] - [ 0.0004553400000000, 0.0003227000000000, 0.0000368000000000 ] - [ 0.0056095500000000, -0.0037341300000000, 0.0045724000000000 ] - [ 0.0005213200000000, 0.0001064200000000, -0.0003009200000000 ] - [ -0.0021594100000000, 0.0065365000000000, -0.0190261000000000 ] - [ 0.0008147800000000, 0.0003540500000000, 0.0007031300000000 ] - [ -0.0020827400000000, 0.0005476900000000, -0.0019428800000000 ] - [ 0.0011699300000000, 0.0000732100000000, 0.0014058500000000 ] - [ 0.0000923600000000, 0.0000623800000000, 0.0001677800000000 ] - [ -0.0023212600000000, -0.0012530900000000, 0.0031876700000000 ] - [ 0.0002669100000000, 0.0003238000000000, -0.0005077200000000 ] - [ -0.0008065900000000, 0.0008257000000000, -0.0003214500000000 ] - [ 0.0003030400000000, 0.0012315200000000, 0.0002356700000000 ] - [ 0.0012779200000000, -0.0003265100000000, 0.0008512900000000 ] - [ -0.0017653700000000, 0.0014765400000000, 0.0014220900000000 ] - [ 0.0004040700000000, -0.0000510200000000, 0.0003199300000000 ] - [ -0.0013895400000000, 0.0078705500000000, -0.0089156400000000 ] - [ 0.0006778700000000, -0.0004201900000000, 0.0007834100000000 ] - [ 0.0010155000000000, -0.0000048800000000, 0.0006601900000000 ] - [ 0.0025495200000000, -0.0039316000000000, -0.0057131700000000 ] - [ 0.0010787000000000, 0.0003055800000000, -0.0005085500000000 ] - [ -0.0004858400000000, -0.0014387400000000, -0.0006323100000000 ] - [ 0.0003334200000000, -0.0014660100000000, -0.0018446900000000 ] - [ 0.0012712200000000, -0.0002217100000000, 0.0009748800000000 ]- atom: 61 displacement: [ -0.0099999825882532, 0.0000000000000000, 0.0000186610458689 ] forces: - [ 0.0006773900000000, -0.0008810900000000, -0.0013162700000000 ] - [ 0.0021226600000000, 0.0021674300000000, 0.0019081200000000 ] - [ 0.0021572800000000, -0.0005444500000000, 0.0066510700000000 ] - [ 0.0013911900000000, 0.0000270100000000, 0.0002024900000000 ] - [ 0.0065350300000000, 0.0048116600000000, -0.0005809300000000 ] - [ 0.0009589800000000, -0.0007290500000000, -0.0000919600000000 ] - [ -0.0022427400000000, 0.0001274200000000, -0.0011710600000000 ] - [ 0.0011550400000000, -0.0004435300000000, 0.0011276200000000 ] - [ 0.0002878200000000, -0.0008486900000000, -0.0051916400000000 ] - [ 0.0019424900000000, -0.0002591700000000, 0.0013237900000000 ] - [ 0.0011976000000000, 0.0003683200000000, 0.0002320600000000 ] - [ -0.0007572500000000, -0.0006858700000000, 0.0002442800000000 ] - [ 0.0017179000000000, -0.0006731500000000, -0.0000586700000000 ] - [ -0.0009475900000000, 0.0042509900000000, -0.0027146200000000 ] - [ -0.0026168200000000, 0.0001118400000000, -0.0008011800000000 ] - [ 0.0012375200000000, 0.0006691200000000, 0.0008146000000000 ] - [ 0.0015566500000000, 0.0000581000000000, 0.0004334200000000 ] - [ 0.0002691800000000, 0.0006849000000000, -0.0002160300000000 ] - [ -0.0137999800000000, 0.0140926900000000, 0.0000578500000000 ] - [ 0.0010581000000000, -0.0000787300000000, 0.0004822000000000 ] - [ 0.0015849000000000, 0.0004527000000000, 0.0004505700000000 ] - [ -0.0045142700000000, -0.0015563700000000, -0.0006374100000000 ] - [ -0.0015376500000000, 0.0004225000000000, 0.0003126100000000 ] - [ 0.0002304700000000, 0.0001968800000000, 0.0003404400000000 ] - [ 0.0036438900000000, -0.0023284100000000, 0.0014998300000000 ] - [ 0.0021229200000000, -0.0000714200000000, -0.0015649100000000 ] - [ -0.0032327400000000, 0.0003874600000000, 0.0011829700000000 ] - [ 0.0015288100000000, 0.0006302900000000, 0.0008826600000000 ] - [ 0.0039573400000000, 0.0011154500000000, 0.0027797400000000 ] - [ 0.0022471300000000, -0.0044018800000000, -0.0002838000000000 ] - [ 0.0010244200000000, -0.0001637600000000, 0.0009200500000000 ] - [ -0.0006271200000000, 0.0008244300000000, 0.0006382000000000 ] - [ 0.0015893100000000, -0.0017681000000000, -0.0014932900000000 ] - [ 0.0020300100000000, -0.0075594300000000, 0.0079500500000000 ] - [ 0.0000397700000000, 0.0009722100000000, -0.0076931200000000 ] - [ 0.0019529300000000, 0.0003720600000000, 0.0005937300000000 ] - [ -0.0014245900000000, 0.0017221000000000, 0.0003993000000000 ] - [ 0.0013828200000000, -0.0005155700000000, 0.0013406100000000 ] - [ -0.1064166000000000, -0.0769648200000000, 0.0593887900000000 ] - [ 0.0021721700000000, -0.0002822700000000, 0.0002948400000000 ] - [ 0.0019567900000000, -0.0009310200000000, 0.0003084100000000 ] - [ -0.0000460300000000, 0.0000387500000000, -0.0006567100000000 ] - [ -0.0011304100000000, -0.0006074800000000, -0.0005096200000000 ] - [ 0.0015726600000000, -0.0023879000000000, -0.0016756500000000 ] - [ -0.0005422200000000, 0.0002278800000000, -0.0003389100000000 ] - [ 0.0007081500000000, -0.0001582000000000, -0.0003499400000000 ] - [ 0.0005807800000000, -0.0003499000000000, 0.0002801200000000 ] - [ -0.0010222900000000, 0.0006085100000000, -0.0009723000000000 ] - [ -0.0025732600000000, 0.0002145200000000, 0.0003548800000000 ] - [ -0.0021756600000000, -0.0014003300000000, 0.0012177500000000 ] - [ -0.0019404400000000, 0.0003586400000000, 0.0010112500000000 ] - [ -0.0004462500000000, 0.0017778300000000, -0.0006658300000000 ] - [ -0.0007406300000000, 0.0004304700000000, 0.0000496900000000 ] - [ -0.0035273300000000, 0.0005524500000000, -0.0042654400000000 ] - [ -0.0036027300000000, -0.0005511100000000, -0.0033377400000000 ] - [ -0.0006263900000000, 0.0007040000000000, -0.0004491200000000 ] - [ -0.0001540800000000, 0.0004580900000000, 0.0005285100000000 ] - [ -0.0011003500000000, -0.0010013800000000, 0.0001239100000000 ] - [ 0.0005383000000000, -0.0002813300000000, 0.0018684100000000 ] - [ -0.0004232400000000, 0.0001420400000000, -0.0005076300000000 ] - [ 0.1491179000000000, 0.0940704000000000, -0.0786360300000000 ] - [ -0.0006774800000000, 0.0001709800000000, 0.0005435800000000 ] - [ -0.0002330000000000, 0.0000158300000000, -0.0006138500000000 ] - [ 0.0006148900000000, -0.0007329800000000, -0.0007746500000000 ] - [ 0.0092697600000000, 0.0099601800000000, -0.0029525100000000 ] - [ -0.0004713600000000, -0.0001800900000000, -0.0003468000000000 ] - [ -0.0000728500000000, 0.0014838300000000, -0.0008341700000000 ] - [ -0.0004878500000000, -0.0001046600000000, 0.0003037000000000 ] - [ 0.0035145500000000, -0.0005999000000000, -0.0009162800000000 ] - [ -0.0000609400000000, 0.0001422700000000, -0.0003224800000000 ] - [ -0.0275080500000000, -0.0317834700000000, 0.0056038200000000 ] - [ -0.0016501600000000, -0.0002542100000000, -0.0000686400000000 ] - [ -0.0003031000000000, 0.0000834600000000, 0.0001827200000000 ] - [ -0.0118337100000000, 0.0006530600000000, -0.0100642000000000 ] - [ 0.0010440900000000, -0.0017809500000000, 0.0011185400000000 ] - [ -0.0010297100000000, -0.0005790700000000, -0.0009038200000000 ] - [ 0.0007209300000000, -0.0001923900000000, 0.0006593200000000 ] - [ -0.0003349200000000, 0.0003522000000000, -0.0001481800000000 ] - [ -0.0007771800000000, -0.0007800400000000, -0.0014932300000000 ] - [ 0.0001955100000000, 0.0009240200000000, 0.0016448700000000 ] - [ -0.0009793000000000, 0.0004293500000000, -0.0015364700000000 ] - [ 0.0002461100000000, 0.0004735400000000, 0.0005694100000000 ] - [ -0.0064650300000000, 0.0041641300000000, -0.0054551000000000 ] - [ -0.0014158500000000, 0.0003597800000000, -0.0006165600000000 ] - [ 0.0017875500000000, -0.0061302500000000, 0.0196639600000000 ] - [ -0.0010241400000000, 0.0000487400000000, -0.0000228000000000 ] - [ 0.0018328400000000, -0.0003814800000000, 0.0030254700000000 ] - [ -0.0014148400000000, 0.0000919200000000, -0.0003269200000000 ] - [ -0.0020509600000000, 0.0004848200000000, 0.0006699200000000 ] - [ 0.0003788400000000, 0.0018213600000000, -0.0023728200000000 ] - [ -0.0007196200000000, 0.0002644800000000, -0.0007570600000000 ] - [ 0.0003554300000000, -0.0002489700000000, -0.0009344900000000 ] - [ 0.0005914200000000, -0.0016832800000000, 0.0006801800000000 ] - [ -0.0003791000000000, -0.0001404500000000, 0.0000711000000000 ] - [ 0.0014434800000000, -0.0008298100000000, -0.0013345300000000 ] - [ -0.0007161100000000, 0.0006918400000000, -0.0002322600000000 ] - [ 0.0012066200000000, -0.0083239700000000, 0.0096413500000000 ] - [ -0.0008827300000000, 0.0000196700000000, -0.0001123200000000 ] - [ -0.0020134000000000, 0.0010029100000000, -0.0008550100000000 ] - [ -0.0035786200000000, 0.0049693300000000, 0.0055829400000000 ] - [ -0.0015285000000000, -0.0008912300000000, -0.0007577000000000 ] - [ 0.0000410700000000, 0.0008588000000000, -0.0006387600000000 ] - [ 0.0001080400000000, 0.0008939000000000, 0.0031268400000000 ] - [ -0.0008202100000000, -0.0003679200000000, 0.0002889200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013362800000000, 0.0011135300000000, 0.0003651000000000 ] - [ -0.0004704200000000, 0.0000987400000000, -0.0004371700000000 ] - [ -0.0003622200000000, 0.0065962400000000, -0.0041855700000000 ] - [ 0.0004084200000000, 0.0006945000000000, -0.0000181300000000 ] - [ -0.0066027000000000, -0.0050356500000000, -0.0000224500000000 ] - [ 0.0000187900000000, -0.0003361000000000, -0.0000561800000000 ] - [ -0.0002053400000000, -0.0030443900000000, 0.0021155800000000 ] - [ -0.0003713600000000, -0.0009279000000000, 0.0003325900000000 ] - [ -0.0019197700000000, 0.0021916900000000, 0.0032850300000000 ] - [ -0.0005143600000000, 0.0003756500000000, -0.0001565200000000 ] - [ -0.0003525700000000, -0.0002606000000000, -0.0001374000000000 ] - [ 0.0047206400000000, -0.0017005300000000, 0.0067002600000000 ] - [ 0.0001902100000000, 0.0001575300000000, -0.0007398000000000 ] - [ -0.0057748400000000, 0.0035739000000000, 0.0008896100000000 ] - [ 0.0015980200000000, -0.0090386700000000, -0.0057121300000000 ] - [ -0.0004518900000000, 0.0002773100000000, 0.0004917000000000 ] - [ 0.0002445800000000, -0.0009719900000000, -0.0004158100000000 ] - [ -0.0001827900000000, -0.0018983300000000, -0.0003757100000000 ] - [ -0.0125829800000000, 0.0292111000000000, -0.0011542800000000 ] - [ -0.0005430400000000, 0.0000179400000000, -0.0000963000000000 ] - [ 0.0001421200000000, 0.0009846400000000, 0.0002288500000000 ] - [ 0.0013178600000000, 0.0068084900000000, -0.0028762200000000 ] - [ -0.0001937200000000, -0.0017700700000000, 0.0001405700000000 ] - [ -0.0007127500000000, -0.0007011100000000, -0.0004305600000000 ] - [ 0.0041786500000000, -0.0030484400000000, 0.0020394000000000 ] - [ -0.0015360200000000, 0.0001563300000000, -0.0001102400000000 ] - [ 0.0009049100000000, -0.0063495600000000, -0.0002104700000000 ] - [ -0.0002635400000000, -0.0005649600000000, 0.0006339400000000 ] - [ -0.0023415900000000, -0.0001758600000000, -0.0005471000000000 ] - [ 0.0005455900000000, 0.0021623000000000, 0.0010603900000000 ] - [ 0.0002669900000000, -0.0007757000000000, 0.0008076900000000 ] - [ -0.0051132400000000, -0.0140688200000000, 0.0015725300000000 ] - [ -0.0010817300000000, 0.0023948200000000, -0.0000251100000000 ] - [ 0.0029714700000000, 0.0051017400000000, -0.0040690100000000 ] - [ -0.0019152100000000, -0.0029546100000000, 0.0099086600000000 ] - [ -0.0002669100000000, 0.0002086400000000, -0.0007769900000000 ] - [ -0.0007999600000000, -0.0005681600000000, -0.0008577300000000 ] - [ 0.0000947600000000, 0.0000647800000000, 0.0008838900000000 ] - [ 0.0792780300000000, 0.1913022100000000, -0.0983352900000000 ] - [ -0.0002467400000000, 0.0000337700000000, -0.0006468100000000 ] - [ 0.0011205800000000, 0.0002166400000000, -0.0007311000000000 ] - [ 0.0010275600000000, -0.0003086100000000, -0.0004125500000000 ] - [ -0.0004939900000000, -0.0004143000000000, -0.0002395000000000 ] - [ 0.0081547800000000, 0.0148231800000000, 0.0139473700000000 ] - [ 0.0001140700000000, 0.0004604800000000, -0.0004411800000000 ] - [ -0.0000192600000000, 0.0042376000000000, -0.0014906800000000 ] - [ -0.0000156700000000, 0.0016182100000000, 0.0012551300000000 ] - [ -0.0003219800000000, 0.0005396600000000, -0.0003829400000000 ] - [ -0.0027924000000000, 0.0004775200000000, 0.0006249800000000 ] - [ 0.0005278700000000, 0.0000011700000000, 0.0001289400000000 ] - [ 0.0022006900000000, -0.0012703000000000, -0.0010522200000000 ] - [ -0.0010725300000000, -0.0016124700000000, 0.0001277900000000 ] - [ -0.0000616400000000, -0.0014641200000000, -0.0007190300000000 ] - [ -0.0003876100000000, -0.0011921300000000, 0.0006022700000000 ] - [ 0.0027499400000000, 0.0001549600000000, 0.0017145500000000 ] - [ -0.0003607100000000, -0.0004966700000000, -0.0008309000000000 ] - [ -0.0018669700000000, 0.0028167800000000, 0.0004501800000000 ] - [ 0.0001376300000000, -0.0000321000000000, -0.0000409400000000 ] - [ 0.0022200400000000, 0.0038086300000000, -0.0021121700000000 ] - [ 0.0005522100000000, 0.0007821800000000, 0.0000599700000000 ] - [ -0.0980873700000000, -0.2874690900000000, 0.1376200300000000 ] - [ 0.0003496500000000, 0.0000851200000000, 0.0006960900000000 ] - [ -0.0003881200000000, 0.0001628600000000, -0.0008320100000000 ] - [ 0.0024918600000000, 0.0017891000000000, 0.0002225500000000 ] - [ -0.0001732100000000, 0.0374940200000000, -0.0197075200000000 ] - [ 0.0007458200000000, -0.0005903000000000, 0.0001631300000000 ] - [ -0.0003189900000000, 0.0016011800000000, -0.0005280500000000 ] - [ 0.0005885800000000, 0.0006940900000000, -0.0001924500000000 ] - [ 0.0007483800000000, 0.0019386000000000, -0.0001287900000000 ] - [ 0.0011039200000000, 0.0004801500000000, -0.0004213700000000 ] - [ 0.0276585300000000, 0.0122204800000000, -0.0028628800000000 ] - [ -0.0001358100000000, -0.0002048300000000, 0.0005893400000000 ] - [ 0.0005714800000000, -0.0012237900000000, 0.0006404100000000 ] - [ 0.0040055500000000, -0.0035954400000000, 0.0043487000000000 ] - [ 0.0000469800000000, 0.0029865300000000, -0.0003437800000000 ] - [ -0.0002945000000000, -0.0001544800000000, -0.0001991500000000 ] - [ 0.0011877400000000, 0.0008182300000000, 0.0009218900000000 ] - [ 0.0002185100000000, 0.0006188500000000, 0.0003170500000000 ] - [ 0.0005388100000000, 0.0001747000000000, 0.0003121400000000 ] - [ 0.0002740500000000, -0.0002129700000000, -0.0014754000000000 ] - [ -0.0011086000000000, -0.0004438500000000, -0.0022180700000000 ] - [ 0.0007412700000000, -0.0003357900000000, 0.0004544900000000 ] - [ -0.0114710500000000, 0.0012166600000000, -0.0069819800000000 ] - [ 0.0001775100000000, -0.0000358400000000, -0.0003147900000000 ] - [ 0.0038899900000000, -0.0071247100000000, -0.0087702800000000 ] - [ 0.0000082400000000, 0.0000581200000000, 0.0002673800000000 ] - [ -0.0015201800000000, 0.0011987400000000, -0.0021349900000000 ] - [ 0.0002310700000000, 0.0000700400000000, 0.0007795900000000 ] - [ -0.0001705700000000, -0.0004742100000000, 0.0000372200000000 ] - [ -0.0036811600000000, -0.0027729400000000, 0.0005011200000000 ] - [ -0.0002545100000000, 0.0007143800000000, -0.0005338000000000 ] - [ -0.0007642200000000, 0.0089462400000000, -0.0004357300000000 ] - [ 0.0003469800000000, 0.0019778400000000, 0.0004197300000000 ] - [ 0.0004469900000000, 0.0001814300000000, 0.0004773300000000 ] - [ 0.0000074900000000, -0.0000967600000000, 0.0015313300000000 ] - [ -0.0001766200000000, 0.0001837700000000, 0.0000001300000000 ] - [ 0.0071498600000000, 0.0115290600000000, -0.0189919800000000 ] - [ -0.0001240800000000, -0.0002797700000000, 0.0004581600000000 ] - [ 0.0002120500000000, -0.0000256400000000, 0.0002005200000000 ] - [ -0.0004377700000000, -0.0015788300000000, -0.0006214000000000 ] - [ 0.0003724500000000, 0.0002166400000000, -0.0005988800000000 ] - [ -0.0013763000000000, 0.0001408600000000, 0.0000127800000000 ] - [ 0.0013928100000000, -0.0029497000000000, -0.0028613600000000 ] - [ 0.0001523000000000, -0.0004094600000000, 0.0006627500000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004490000000000, -0.0013013600000000, -0.0004138700000000 ] - [ 0.0013621500000000, -0.0002930600000000, 0.0003821900000000 ] - [ 0.0012829200000000, -0.0064060700000000, 0.0041406100000000 ] - [ 0.0004789500000000, -0.0005128800000000, -0.0000307400000000 ] - [ 0.0057123500000000, 0.0048470300000000, 0.0000715000000000 ] - [ -0.0009081400000000, 0.0001585300000000, 0.0001033300000000 ] - [ -0.0001163900000000, 0.0019690900000000, -0.0012132400000000 ] - [ 0.0000621400000000, -0.0001578900000000, 0.0005605600000000 ] - [ 0.0013816300000000, -0.0021327800000000, -0.0032140400000000 ] - [ -0.0000583800000000, -0.0003017800000000, 0.0002482100000000 ] - [ 0.0009238400000000, 0.0001889800000000, 0.0000440500000000 ] - [ -0.0041227300000000, 0.0016486400000000, -0.0067409700000000 ] - [ 0.0001188500000000, -0.0012467700000000, -0.0001530900000000 ] - [ 0.0061218000000000, -0.0047329100000000, -0.0017787700000000 ] - [ -0.0019031500000000, 0.0100950600000000, 0.0065545400000000 ] - [ 0.0001420900000000, 0.0008116300000000, 0.0004025100000000 ] - [ 0.0003240400000000, 0.0010425200000000, 0.0003206100000000 ] - [ 0.0007623400000000, 0.0019707200000000, 0.0002781700000000 ] - [ 0.0131954400000000, -0.0319752400000000, 0.0016826800000000 ] - [ -0.0000267900000000, -0.0000893400000000, 0.0001910800000000 ] - [ 0.0001676800000000, 0.0001007300000000, -0.0011220900000000 ] - [ -0.0010256900000000, -0.0057698600000000, 0.0019601900000000 ] - [ -0.0007002700000000, 0.0019544900000000, -0.0000930500000000 ] - [ -0.0001731900000000, 0.0008825200000000, 0.0004848100000000 ] - [ -0.0040151500000000, 0.0030097900000000, -0.0032933200000000 ] - [ 0.0016850800000000, -0.0001993600000000, -0.0011523700000000 ] - [ -0.0010545400000000, 0.0063861500000000, 0.0014649800000000 ] - [ 0.0001160300000000, 0.0005966700000000, 0.0006308800000000 ] - [ 0.0023332500000000, 0.0007307200000000, 0.0017675400000000 ] - [ -0.0005692800000000, -0.0015639200000000, 0.0001514000000000 ] - [ -0.0002741500000000, 0.0002231500000000, 0.0004154000000000 ] - [ 0.0051299100000000, 0.0135140600000000, -0.0003649300000000 ] - [ 0.0012350000000000, -0.0023558500000000, -0.0012288900000000 ] - [ -0.0028406500000000, -0.0050294600000000, 0.0027818400000000 ] - [ 0.0019299000000000, 0.0034955500000000, -0.0111574600000000 ] - [ 0.0002741300000000, 0.0003442200000000, -0.0004447500000000 ] - [ 0.0006590600000000, 0.0005621500000000, 0.0021093500000000 ] - [ -0.0002379100000000, -0.0000920900000000, 0.0003820200000000 ] - [ -0.0736883600000000, -0.1847965900000000, 0.0904964100000000 ] - [ 0.0002499400000000, -0.0005883700000000, -0.0005784200000000 ] - [ 0.0008177700000000, -0.0007813500000000, -0.0000959900000000 ] - [ 0.0009187000000000, -0.0002395500000000, -0.0004200200000000 ] - [ -0.0005092800000000, -0.0005906400000000, 0.0000455400000000 ] - [ -0.0092215000000000, -0.0159529800000000, -0.0143426700000000 ] - [ 0.0000966900000000, -0.0000604100000000, -0.0002329900000000 ] - [ 0.0002186600000000, -0.0038304200000000, 0.0008225700000000 ] - [ -0.0006828500000000, -0.0008299200000000, -0.0018429900000000 ] - [ -0.0003789900000000, 0.0002570500000000, -0.0002218000000000 ] - [ 0.0008490200000000, -0.0010262700000000, 0.0002079500000000 ] - [ -0.0024785100000000, -0.0005392600000000, 0.0007045600000000 ] - [ -0.0018803600000000, 0.0006257300000000, 0.0009606000000000 ] - [ 0.0013850600000000, 0.0009547500000000, -0.0002151300000000 ] - [ -0.0008425600000000, 0.0010027900000000, -0.0002069200000000 ] - [ -0.0005003100000000, 0.0007237700000000, -0.0015145800000000 ] - [ -0.0024971900000000, 0.0000115500000000, -0.0027861400000000 ] - [ 0.0006127700000000, 0.0006571300000000, -0.0002472800000000 ] - [ 0.0015644800000000, -0.0034657300000000, -0.0003671900000000 ] - [ -0.0004530300000000, -0.0006059200000000, 0.0001274500000000 ] - [ -0.0012296300000000, -0.0028204200000000, 0.0023166700000000 ] - [ 0.0004479200000000, 0.0002201600000000, 0.0001331600000000 ] - [ 0.0915528400000000, 0.2832641400000000, -0.1298343000000000 ] - [ 0.0001023200000000, 0.0005054700000000, 0.0005661900000000 ] - [ 0.0006389800000000, -0.0003301500000000, -0.0002473900000000 ] - [ -0.0022713400000000, -0.0019539100000000, -0.0013067700000000 ] - [ 0.0010912100000000, -0.0376292800000000, 0.0194078300000000 ] - [ 0.0002560600000000, -0.0004140300000000, 0.0000295100000000 ] - [ 0.0006332200000000, -0.0009537600000000, 0.0004404300000000 ] - [ -0.0002735500000000, -0.0000474000000000, 0.0001034300000000 ] - [ 0.0012011800000000, -0.0013269700000000, -0.0006845100000000 ] - [ 0.0008436300000000, 0.0000676000000000, -0.0004139400000000 ] - [ -0.0275617900000000, -0.0123504400000000, 0.0038901700000000 ] - [ -0.0001088000000000, 0.0000375100000000, 0.0004928500000000 ] - [ 0.0001282200000000, 0.0004284600000000, -0.0000409600000000 ] - [ -0.0032644500000000, 0.0028156000000000, -0.0037181800000000 ] - [ -0.0007412500000000, -0.0037852000000000, -0.0002558500000000 ] - [ -0.0004063700000000, -0.0006425200000000, -0.0004048900000000 ] - [ -0.0002954500000000, -0.0003619300000000, -0.0000016400000000 ] - [ 0.0006717900000000, -0.0001585800000000, 0.0005998800000000 ] - [ -0.0003310000000000, -0.0005745600000000, -0.0009839900000000 ] - [ -0.0000568700000000, -0.0002061200000000, 0.0007947100000000 ] - [ 0.0018099300000000, 0.0012426600000000, 0.0028276800000000 ] - [ -0.0000390100000000, 0.0011378300000000, 0.0001508700000000 ] - [ 0.0106200800000000, -0.0007351200000000, 0.0060898500000000 ] - [ -0.0010740400000000, 0.0005035600000000, -0.0006063300000000 ] - [ -0.0041809400000000, 0.0073866100000000, 0.0096017100000000 ] - [ -0.0002184900000000, 0.0003427500000000, 0.0004107200000000 ] - [ 0.0012793200000000, -0.0010327900000000, 0.0032299800000000 ] - [ -0.0004805300000000, 0.0000990400000000, 0.0003003300000000 ] - [ -0.0017792800000000, 0.0010195300000000, 0.0007962100000000 ] - [ 0.0017407800000000, 0.0032930100000000, 0.0003429600000000 ] - [ -0.0001954600000000, -0.0001251800000000, -0.0007301100000000 ] - [ 0.0003100400000000, -0.0083452500000000, -0.0008402400000000 ] - [ 0.0005513300000000, -0.0024446000000000, 0.0005030300000000 ] - [ 0.0004462200000000, -0.0006474700000000, 0.0004434600000000 ] - [ -0.0003267900000000, 0.0007247300000000, -0.0014539900000000 ] - [ -0.0001382000000000, 0.0004532100000000, 0.0000867700000000 ] - [ -0.0074605600000000, -0.0120727200000000, 0.0199002800000000 ] - [ -0.0000845900000000, -0.0001189700000000, 0.0002130600000000 ] - [ -0.0012128900000000, 0.0010276800000000, -0.0003936100000000 ] - [ -0.0005378800000000, 0.0025469300000000, 0.0004064500000000 ] - [ -0.0008234900000000, -0.0008067000000000, -0.0006653400000000 ] - [ 0.0009202800000000, -0.0007429700000000, -0.0012691900000000 ] - [ -0.0009542700000000, 0.0023916800000000, 0.0041513800000000 ] - [ 0.0002982600000000, -0.0001782500000000, 0.0006018500000000 ]- atom: 61 displacement: [ -0.0039278742830840, 0.0000000000000000, 0.0091962929279296 ] forces: - [ 0.0008580800000000, -0.0011681200000000, -0.0010319500000000 ] - [ 0.0008437200000000, 0.0009783000000000, 0.0010114100000000 ] - [ -0.0026437100000000, -0.0029812800000000, 0.0028197200000000 ] - [ 0.0008432200000000, 0.0001255400000000, -0.0003261300000000 ] - [ 0.0035503400000000, 0.0023351800000000, -0.0000509000000000 ] - [ -0.0002204800000000, -0.0002661800000000, 0.0002989100000000 ] - [ -0.0003482400000000, 0.0010421700000000, -0.0012636400000000 ] - [ 0.0001065000000000, -0.0003867800000000, 0.0006181500000000 ] - [ 0.0062756500000000, -0.0014418400000000, -0.0101527200000000 ] - [ 0.0002782600000000, -0.0002011100000000, 0.0004242800000000 ] - [ 0.0005357300000000, 0.0001960500000000, -0.0001617400000000 ] - [ -0.0018082000000000, 0.0013654300000000, -0.0020117300000000 ] - [ 0.0004183300000000, -0.0008709700000000, -0.0001134900000000 ] - [ 0.0050352800000000, 0.0028750000000000, -0.0004126600000000 ] - [ -0.0014638400000000, 0.0026565900000000, 0.0031855100000000 ] - [ 0.0001992400000000, 0.0006641700000000, 0.0004526800000000 ] - [ 0.0006377300000000, 0.0005282900000000, 0.0003555500000000 ] - [ 0.0005969400000000, 0.0010352200000000, 0.0005032900000000 ] - [ -0.0055887000000000, 0.0042322700000000, 0.0050932700000000 ] - [ 0.0000397600000000, -0.0000707600000000, 0.0001468600000000 ] - [ 0.0003952300000000, 0.0003406300000000, -0.0006605000000000 ] - [ -0.0048601300000000, -0.0055672900000000, -0.0055224200000000 ] - [ -0.0009347500000000, 0.0007666400000000, -0.0001418100000000 ] - [ -0.0004016800000000, 0.0003139900000000, -0.0002277100000000 ] - [ -0.0012921300000000, 0.0008509800000000, -0.0015883700000000 ] - [ 0.0019603600000000, -0.0007996900000000, -0.0027163600000000 ] - [ -0.0010667300000000, 0.0010917500000000, 0.0017634400000000 ] - [ 0.0003765800000000, 0.0003180400000000, 0.0007330600000000 ] - [ 0.0013180900000000, 0.0005404300000000, 0.0014121900000000 ] - [ 0.0033983400000000, -0.0055004700000000, -0.0008061400000000 ] - [ 0.0001737500000000, -0.0001123800000000, 0.0005274200000000 ] - [ -0.0022668300000000, -0.0003083400000000, 0.0016661800000000 ] - [ 0.0019128000000000, -0.0004245500000000, -0.0006574500000000 ] - [ -0.0032616800000000, -0.0055768400000000, 0.0064045800000000 ] - [ 0.0033539100000000, 0.0011105900000000, -0.0132204100000000 ] - [ 0.0001999500000000, 0.0003995500000000, -0.0003844700000000 ] - [ 0.0019878600000000, -0.0029838300000000, -0.0012589700000000 ] - [ -0.0002336300000000, -0.0002625200000000, 0.0005108600000000 ] - [ -0.0960041500000000, -0.1163211200000000, 0.1288867200000000 ] - [ 0.0006424600000000, -0.0003572600000000, -0.0004404100000000 ] - [ -0.0009717400000000, -0.0013705000000000, 0.0017114200000000 ] - [ 0.0008958400000000, -0.0001165400000000, -0.0005125400000000 ] - [ -0.0006296000000000, -0.0005523600000000, -0.0000840600000000 ] - [ 0.0019132800000000, 0.0040705700000000, -0.0008315200000000 ] - [ -0.0000515700000000, 0.0000961400000000, -0.0002666600000000 ] - [ 0.0009570300000000, -0.0004322200000000, -0.0014061500000000 ] - [ -0.0005093600000000, 0.0003382100000000, -0.0004492100000000 ] - [ -0.0003969700000000, 0.0003852700000000, -0.0002639600000000 ] - [ -0.0001193800000000, -0.0006105400000000, 0.0001788300000000 ] - [ -0.0028538200000000, -0.0010015100000000, 0.0011396500000000 ] - [ -0.0009467900000000, -0.0000542000000000, 0.0003772800000000 ] - [ 0.0009635500000000, 0.0005718800000000, -0.0010866100000000 ] - [ -0.0022556700000000, 0.0003884900000000, -0.0003289800000000 ] - [ -0.0012248100000000, 0.0008056500000000, -0.0027024700000000 ] - [ -0.0013710700000000, 0.0001591400000000, -0.0021342800000000 ] - [ -0.0007438900000000, 0.0008144900000000, -0.0005714600000000 ] - [ -0.0002994100000000, -0.0002275700000000, -0.0001024100000000 ] - [ -0.0004471100000000, -0.0005962600000000, 0.0000305100000000 ] - [ -0.0010774300000000, -0.0016170200000000, 0.0028305500000000 ] - [ 0.0004007600000000, 0.0003390700000000, 0.0000255400000000 ] - [ 0.1303098100000000, 0.1567649300000000, -0.1701853900000000 ] - [ -0.0000491800000000, 0.0003056300000000, 0.0006212900000000 ] - [ 0.0001736600000000, -0.0000319000000000, -0.0002502400000000 ] - [ 0.0011961100000000, -0.0004121900000000, -0.0004567900000000 ] - [ 0.0034109300000000, -0.0081270500000000, -0.0050718800000000 ] - [ 0.0001879300000000, -0.0003987300000000, -0.0000037900000000 ] - [ 0.0004385000000000, -0.0001061800000000, 0.0000449700000000 ] - [ -0.0004233600000000, 0.0000607300000000, 0.0005736100000000 ] - [ 0.0016987900000000, -0.0005757700000000, -0.0013806400000000 ] - [ 0.0007004200000000, 0.0001880200000000, -0.0003705900000000 ] - [ -0.0105140100000000, -0.0125080200000000, -0.0058284300000000 ] - [ -0.0005357800000000, -0.0001024600000000, 0.0003612000000000 ] - [ -0.0001269400000000, -0.0000357600000000, -0.0001686100000000 ] - [ -0.0053688600000000, 0.0012077900000000, -0.0080701900000000 ] - [ -0.0002459300000000, -0.0016827800000000, -0.0000512400000000 ] - [ -0.0005038900000000, -0.0005220800000000, -0.0005041100000000 ] - [ 0.0002745500000000, 0.0007609800000000, 0.0008515200000000 ] - [ 0.0007220600000000, 0.0001555700000000, 0.0006401300000000 ] - [ -0.0001520500000000, -0.0004389100000000, -0.0007858500000000 ] - [ -0.0005434500000000, 0.0006520700000000, 0.0028140000000000 ] - [ 0.0007711800000000, 0.0005703500000000, 0.0009763400000000 ] - [ 0.0004049300000000, 0.0010470500000000, 0.0017544800000000 ] - [ 0.0037735800000000, -0.0002295200000000, 0.0005347300000000 ] - [ -0.0008297600000000, 0.0004774000000000, -0.0001351100000000 ] - [ -0.0183890900000000, -0.0147921800000000, 0.0391332900000000 ] - [ -0.0003580600000000, 0.0002224000000000, 0.0003046300000000 ] - [ 0.0008610200000000, -0.0003189200000000, 0.0036800300000000 ] - [ -0.0002336200000000, -0.0000064700000000, 0.0004149800000000 ] - [ -0.0018228400000000, 0.0003652200000000, 0.0007996600000000 ] - [ 0.0035948800000000, 0.0007003700000000, -0.0005213200000000 ] - [ -0.0003036800000000, 0.0001925400000000, -0.0006348500000000 ] - [ 0.0002844800000000, -0.0000997300000000, -0.0002582600000000 ] - [ 0.0002005300000000, -0.0011104400000000, 0.0001818800000000 ] - [ 0.0002041600000000, -0.0003135700000000, 0.0002646500000000 ] - [ 0.0006014800000000, 0.0030196400000000, 0.0024719000000000 ] - [ -0.0001637600000000, 0.0004873400000000, 0.0000853700000000 ] - [ -0.0047761000000000, -0.0149386600000000, 0.0180530600000000 ] - [ -0.0001729300000000, -0.0001524000000000, 0.0002380300000000 ] - [ -0.0009991900000000, 0.0007765200000000, -0.0003683800000000 ] - [ -0.0053636600000000, 0.0061111300000000, 0.0062832500000000 ] - [ -0.0006244000000000, -0.0004991400000000, -0.0007225800000000 ] - [ -0.0001175000000000, 0.0007530500000000, -0.0009143300000000 ] - [ -0.0020943700000000, 0.0033791400000000, 0.0058529700000000 ] - [ 0.0001283500000000, -0.0003506500000000, 0.0005290800000000 ]- atom: 61 displacement: [ 0.0039278742830840, 0.0000000000000000, -0.0091962929279296 ] forces: - [ 0.0000315300000000, 0.0009955400000000, 0.0009693200000000 ] - [ 0.0000460400000000, -0.0011565600000000, -0.0010602600000000 ] - [ 0.0035276800000000, 0.0031705000000000, -0.0028286900000000 ] - [ 0.0000563900000000, 0.0000565700000000, 0.0002792500000000 ] - [ -0.0044105000000000, -0.0024930100000000, 0.0001011200000000 ] - [ -0.0006688700000000, 0.0000839000000000, -0.0002421600000000 ] - [ 0.0000426400000000, -0.0021381100000000, 0.0021373400000000 ] - [ -0.0004131700000000, -0.0006969200000000, 0.0002757200000000 ] - [ -0.0069210900000000, 0.0015276300000000, 0.0102912400000000 ] - [ -0.0008436600000000, 0.0002756200000000, -0.0003281800000000 ] - [ 0.0000304300000000, -0.0002685100000000, 0.0000659100000000 ] - [ 0.0023819200000000, -0.0014500900000000, 0.0018935700000000 ] - [ -0.0001054500000000, -0.0002140800000000, -0.0007800600000000 ] - [ -0.0052546000000000, -0.0041012600000000, -0.0002864200000000 ] - [ 0.0011432600000000, -0.0015626900000000, -0.0022723900000000 ] - [ -0.0005044400000000, 0.0004213000000000, 0.0004398200000000 ] - [ -0.0000646800000000, -0.0004574800000000, -0.0004489300000000 ] - [ -0.0000248500000000, -0.0009645100000000, -0.0005885400000000 ] - [ 0.0048467700000000, -0.0041253600000000, -0.0049459400000000 ] - [ -0.0006039100000000, -0.0000005600000000, -0.0000500700000000 ] - [ -0.0000845000000000, 0.0007438700000000, -0.0002248300000000 ] - [ 0.0052215500000000, 0.0067039200000000, 0.0046065000000000 ] - [ 0.0000315800000000, -0.0005889300000000, 0.0001946200000000 ] - [ -0.0004877200000000, -0.0001352700000000, 0.0002725400000000 ] - [ 0.0014659500000000, -0.0009061400000000, 0.0003419900000000 ] - [ -0.0018073800000000, 0.0007763200000000, 0.0014597800000000 ] - [ 0.0009173200000000, -0.0010671400000000, -0.0005013300000000 ] - [ -0.0005210400000000, -0.0002891300000000, 0.0005366700000000 ] - [ -0.0013131100000000, 0.0000151100000000, -0.0001835000000000 ] - [ -0.0033783100000000, 0.0060144500000000, 0.0020543000000000 ] - [ -0.0001804900000000, -0.0004382900000000, 0.0006926200000000 ] - [ 0.0022356500000000, -0.0002756700000000, -0.0004324400000000 ] - [ -0.0017789900000000, 0.0004362000000000, -0.0006260000000000 ] - [ 0.0034043800000000, 0.0056209200000000, -0.0076864500000000 ] - [ -0.0033573600000000, -0.0005372600000000, 0.0119904400000000 ] - [ -0.0001905800000000, 0.0001531300000000, -0.0008354000000000 ] - [ -0.0021583200000000, 0.0029390700000000, 0.0025359100000000 ] - [ 0.0000917700000000, 0.0002308700000000, 0.0007550300000000 ] - [ 0.0993397900000000, 0.1229516300000000, -0.1334300600000000 ] - [ -0.0006338400000000, -0.0001952600000000, -0.0007798700000000 ] - [ 0.0029584600000000, 0.0008518500000000, -0.0025663900000000 ] - [ 0.0010633300000000, -0.0004277900000000, -0.0003310100000000 ] - [ -0.0003832100000000, -0.0004541800000000, -0.0001193800000000 ] - [ -0.0029080900000000, -0.0050717000000000, 0.0006658600000000 ] - [ 0.0002638200000000, 0.0003060200000000, -0.0004114600000000 ] - [ -0.0007397800000000, 0.0008356100000000, 0.0007190600000000 ] - [ -0.0001869100000000, 0.0004536000000000, -0.0001566400000000 ] - [ -0.0003069600000000, 0.0004034500000000, -0.0003316500000000 ] - [ -0.0018512100000000, 0.0000683200000000, 0.0006660800000000 ] - [ 0.0008938100000000, 0.0004645000000000, -0.0002986900000000 ] - [ 0.0012432700000000, -0.0005874800000000, -0.0004534700000000 ] - [ -0.0006561800000000, -0.0012224400000000, 0.0010002800000000 ] - [ 0.0013950400000000, -0.0008581700000000, -0.0005698000000000 ] - [ 0.0003338300000000, -0.0012762000000000, 0.0017902900000000 ] - [ 0.0016132300000000, 0.0000027500000000, 0.0010476400000000 ] - [ 0.0009776000000000, -0.0006470300000000, -0.0005181500000000 ] - [ -0.0000173200000000, -0.0004188700000000, 0.0001994300000000 ] - [ 0.0001388300000000, -0.0000511700000000, 0.0000555900000000 ] - [ 0.0020757500000000, 0.0026008500000000, -0.0026215500000000 ] - [ 0.0006066000000000, 0.0006637600000000, 0.0001750500000000 ] - [ -0.1326815400000000, -0.1636407500000000, 0.1749896900000000 ] - [ 0.0005016800000000, 0.0002910200000000, 0.0006366200000000 ] - [ 0.0000796800000000, -0.0001338400000000, -0.0008250700000000 ] - [ -0.0009314200000000, 0.0002489100000000, -0.0006178100000000 ] - [ -0.0024232800000000, 0.0071337000000000, 0.0053760300000000 ] - [ 0.0008206300000000, -0.0006058600000000, 0.0002052100000000 ] - [ -0.0001321600000000, 0.0007701100000000, -0.0001378300000000 ] - [ 0.0007280800000000, 0.0005862600000000, -0.0006589400000000 ] - [ 0.0002686200000000, 0.0011103600000000, 0.0005324500000000 ] - [ 0.0012618900000000, 0.0003577300000000, -0.0004760900000000 ] - [ 0.0101365800000000, 0.0122991200000000, 0.0070551600000000 ] - [ 0.0002841300000000, -0.0000631200000000, 0.0007162900000000 ] - [ 0.0008318600000000, -0.0007503500000000, 0.0007719800000000 ] - [ 0.0060721800000000, -0.0019978200000000, 0.0086341600000000 ] - [ -0.0004528000000000, 0.0008908700000000, -0.0005293900000000 ] - [ -0.0002002300000000, -0.0002657000000000, -0.0000935900000000 ] - [ 0.0006225300000000, -0.0002849600000000, 0.0000637100000000 ] - [ 0.0001589800000000, 0.0003143900000000, 0.0002708300000000 ] - [ 0.0003629300000000, 0.0000351300000000, 0.0001026400000000 ] - [ 0.0007405900000000, -0.0010310600000000, -0.0034874300000000 ] - [ -0.0000785800000000, 0.0002134900000000, -0.0003982200000000 ] - [ 0.0002905300000000, -0.0002685600000000, -0.0011644400000000 ] - [ -0.0047135700000000, 0.0007167600000000, -0.0014993200000000 ] - [ -0.0000604300000000, -0.0000089200000000, -0.0007797100000000 ] - [ 0.0186431000000000, 0.0155796300000000, -0.0394552100000000 ] - [ 0.0001426700000000, 0.0001794500000000, 0.0003777800000000 ] - [ -0.0010914600000000, 0.0004752600000000, -0.0025837400000000 ] - [ -0.0000173000000000, 0.0001719800000000, 0.0006646600000000 ] - [ -0.0001372100000000, 0.0001823300000000, 0.0000483400000000 ] - [ -0.0055710300000000, -0.0001513600000000, 0.0013745600000000 ] - [ -0.0001480900000000, 0.0004037400000000, -0.0006234700000000 ] - [ -0.0007392600000000, 0.0007005200000000, -0.0009909700000000 ] - [ 0.0006835700000000, 0.0006387800000000, 0.0007304200000000 ] - [ 0.0006774600000000, -0.0001544200000000, 0.0006436300000000 ] - [ -0.0008858500000000, -0.0023519600000000, -0.0023663100000000 ] - [ -0.0001469300000000, 0.0001607400000000, 0.0000030300000000 ] - [ 0.0045348500000000, 0.0143116100000000, -0.0172231900000000 ] - [ -0.0000419400000000, -0.0002492700000000, 0.0004411500000000 ] - [ -0.0000150400000000, 0.0002290300000000, 0.0001658700000000 ] - [ 0.0042970000000000, -0.0050541500000000, -0.0064358900000000 ] - [ 0.0001672400000000, -0.0000981500000000, -0.0005370500000000 ] - [ -0.0003323700000000, -0.0013351200000000, -0.0003563100000000 ] - [ 0.0025503300000000, -0.0040005500000000, -0.0045977700000000 ] - [ 0.0003216500000000, -0.0002450200000000, 0.0007302500000000 ]