# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ed23517e-aa73-4363-9521-776f220e2556/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 TaAlO4 / C2/m (12) / materials id 14333](https://mdr.nims.go.jp/datasets/992c0df4-86c8-455b-ad46-72c87e77faa8) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.082800890000000, -1.892575750000000, -0.002323105000000 ] # a - [ 6.082800890000000, 1.892575750000000, -0.002323105000000 ] # b - [ -1.965150130000000, 0.000000000000000, 6.152436740000000 ] # c points: - symbol: O # 1 coordinates: [ 0.641797030000000, 0.641797030000000, 0.202177180000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.358202970000000, 0.358202970000000, 0.797822820000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.057613920000000, 0.057613920000000, 0.865384380000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.942386080000000, 0.942386080000000, 0.134615620000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.858799530000000, 0.858799530000000, 0.474509080000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.141200470000000, 0.141200470000000, 0.525490920000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.737611030000000, 0.737611030000000, 0.857775760000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.262388970000000, 0.262388970000000, 0.142224240000000 ] mass: 15.999400 - symbol: Al # 9 coordinates: [ 0.200804400000000, 0.200804400000000, 0.820463790000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.799195600000000, 0.799195600000000, 0.179536210000000 ] mass: 26.981539 - symbol: Ta # 11 coordinates: [ 0.105907000000000, 0.105907000000000, 0.231582580000000 ] mass: 180.947880 - symbol: Ta # 12 coordinates: [ 0.894093000000000, 0.894093000000000, 0.768417420000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.082209003717462, -0.264190218013731, 0.026258382031335 ] # a* - [ 0.082209003717462, 0.264190218013731, 0.026258382031335 ] # b* - [ 0.000062082766764, 0.000000000000000, 0.162557055719874 ] # c*unit_cell: lattice: - [ 12.165601779999999, 0.000000000000000, -0.004646210000000 ] # a - [ 0.000000000000000, 3.785151500000000, 0.000000000000000 ] # b - [ -1.965150130000000, 0.000000000000000, 6.152436740000000 ] # c points: - symbol: O # 1 coordinates: [ 0.141797030000000, 0.500000000000000, 0.202177180000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.358202970000000, 0.000000000000000, 0.797822820000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.057613920000000, 0.000000000000000, 0.865384380000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.442386080000000, 0.500000000000000, 0.134615620000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.358799530000000, 0.500000000000000, 0.474509080000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.141200470000000, 0.000000000000000, 0.525490920000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.237611030000000, 0.500000000000000, 0.857775760000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.262388970000000, 0.000000000000000, 0.142224240000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.641797030000000, 0.000000000000000, 0.202177180000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.858202970000000, 0.500000000000000, 0.797822820000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 11 coordinates: [ 0.557613920000000, 0.500000000000000, 0.865384380000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 12 coordinates: [ 0.942386080000000, 0.000000000000000, 0.134615620000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 13 coordinates: [ 0.858799530000000, 0.000000000000000, 0.474509080000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 14 coordinates: [ 0.641200470000000, 0.500000000000000, 0.525490920000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 15 coordinates: [ 0.737611030000000, 0.000000000000000, 0.857775760000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 16 coordinates: [ 0.762388970000000, 0.500000000000000, 0.142224240000000 ] mass: 15.999400 reduced_to: 8 - symbol: Al # 17 coordinates: [ 0.200804400000000, 0.000000000000000, 0.820463790000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.299195600000000, 0.500000000000000, 0.179536210000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.700804400000000, 0.500000000000000, 0.820463790000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 20 coordinates: [ 0.799195600000000, 0.000000000000000, 0.179536210000000 ] mass: 26.981539 reduced_to: 18 - symbol: Ta # 21 coordinates: [ 0.105907000000000, 0.000000000000000, 0.231582580000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 22 coordinates: [ 0.394093000000000, 0.500000000000000, 0.768417420000000 ] mass: 180.947880 reduced_to: 22 - symbol: Ta # 23 coordinates: [ 0.605907000000000, 0.500000000000000, 0.231582580000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 24 coordinates: [ 0.894093000000000, 0.000000000000000, 0.768417420000000 ] mass: 180.947880 reduced_to: 22supercell: lattice: - [ 12.165601779999999, 0.000000000000000, -0.004646210000000 ] # a - [ 0.000000000000000, 11.355454500000000, 0.000000000000000 ] # b - [ -3.930300260000000, 0.000000000000000, 12.304873479999999 ] # c points: - symbol: O # 1 coordinates: [ 0.141797030000000, 0.166666666666667, 0.101088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.141797030000000, 0.500000000000000, 0.101088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.141797030000000, 0.833333333333333, 0.101088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.141797030000000, 0.166666666666667, 0.601088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.141797030000000, 0.500000000000000, 0.601088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.141797030000000, 0.833333333333333, 0.601088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.358202970000000, 0.000000000000000, 0.398911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.358202970000000, 0.333333333333333, 0.398911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.358202970000000, 0.666666666666667, 0.398911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.358202970000000, 0.000000000000000, 0.898911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.358202970000000, 0.333333333333333, 0.898911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.358202970000000, 0.666666666666667, 0.898911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.057613920000000, 0.000000000000000, 0.432692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.057613920000000, 0.333333333333333, 0.432692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.057613920000000, 0.666666666666667, 0.432692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.057613920000000, 0.000000000000000, 0.932692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.057613920000000, 0.333333333333333, 0.932692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.057613920000000, 0.666666666666667, 0.932692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.442386080000000, 0.166666666666667, 0.067307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.442386080000000, 0.500000000000000, 0.067307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.442386080000000, 0.833333333333333, 0.067307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.442386080000000, 0.166666666666667, 0.567307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.442386080000000, 0.500000000000000, 0.567307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.442386080000000, 0.833333333333333, 0.567307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.358799530000000, 0.166666666666667, 0.237254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.358799530000000, 0.500000000000000, 0.237254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.358799530000000, 0.833333333333333, 0.237254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.358799530000000, 0.166666666666667, 0.737254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.358799530000000, 0.500000000000000, 0.737254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.358799530000000, 0.833333333333333, 0.737254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.141200470000000, 0.000000000000000, 0.262745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.141200470000000, 0.333333333333333, 0.262745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.141200470000000, 0.666666666666667, 0.262745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.141200470000000, 0.000000000000000, 0.762745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.141200470000000, 0.333333333333333, 0.762745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.141200470000000, 0.666666666666667, 0.762745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.237611030000000, 0.166666666666667, 0.428887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.237611030000000, 0.500000000000000, 0.428887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.237611030000000, 0.833333333333333, 0.428887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.237611030000000, 0.166666666666667, 0.928887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.237611030000000, 0.500000000000000, 0.928887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.237611030000000, 0.833333333333333, 0.928887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.262388970000000, 0.000000000000000, 0.071112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.262388970000000, 0.333333333333333, 0.071112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.262388970000000, 0.666666666666667, 0.071112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.262388970000000, 0.000000000000000, 0.571112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.262388970000000, 0.333333333333333, 0.571112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.262388970000000, 0.666666666666667, 0.571112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.641797030000000, 0.000000000000000, 0.101088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.641797030000000, 0.333333333333333, 0.101088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.641797030000000, 0.666666666666667, 0.101088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.641797030000000, 0.000000000000000, 0.601088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.641797030000000, 0.333333333333333, 0.601088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 54 coordinates: [ 0.641797030000000, 0.666666666666667, 0.601088590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 55 coordinates: [ 0.858202970000000, 0.166666666666667, 0.398911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.858202970000000, 0.500000000000000, 0.398911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.858202970000000, 0.833333333333333, 0.398911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 58 coordinates: [ 0.858202970000000, 0.166666666666667, 0.898911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 59 coordinates: [ 0.858202970000000, 0.500000000000000, 0.898911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 60 coordinates: [ 0.858202970000000, 0.833333333333333, 0.898911410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 61 coordinates: [ 0.557613920000000, 0.166666666666667, 0.432692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.557613920000000, 0.500000000000000, 0.432692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.557613920000000, 0.833333333333333, 0.432692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.557613920000000, 0.166666666666667, 0.932692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.557613920000000, 0.500000000000000, 0.932692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 66 coordinates: [ 0.557613920000000, 0.833333333333333, 0.932692190000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 67 coordinates: [ 0.942386080000000, 0.000000000000000, 0.067307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.942386080000000, 0.333333333333333, 0.067307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.942386080000000, 0.666666666666667, 0.067307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 70 coordinates: [ 0.942386080000000, 0.000000000000000, 0.567307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 71 coordinates: [ 0.942386080000000, 0.333333333333333, 0.567307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 72 coordinates: [ 0.942386080000000, 0.666666666666667, 0.567307810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 73 coordinates: [ 0.858799530000000, 0.000000000000000, 0.237254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.858799530000000, 0.333333333333333, 0.237254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.858799530000000, 0.666666666666667, 0.237254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 76 coordinates: [ 0.858799530000000, 0.000000000000000, 0.737254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 77 coordinates: [ 0.858799530000000, 0.333333333333333, 0.737254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 78 coordinates: [ 0.858799530000000, 0.666666666666667, 0.737254540000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 79 coordinates: [ 0.641200470000000, 0.166666666666667, 0.262745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.641200470000000, 0.500000000000000, 0.262745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.641200470000000, 0.833333333333333, 0.262745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 82 coordinates: [ 0.641200470000000, 0.166666666666667, 0.762745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 83 coordinates: [ 0.641200470000000, 0.500000000000000, 0.762745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 84 coordinates: [ 0.641200470000000, 0.833333333333333, 0.762745460000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 85 coordinates: [ 0.737611030000000, 0.000000000000000, 0.428887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.737611030000000, 0.333333333333333, 0.428887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.737611030000000, 0.666666666666667, 0.428887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 88 coordinates: [ 0.737611030000000, 0.000000000000000, 0.928887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 89 coordinates: [ 0.737611030000000, 0.333333333333333, 0.928887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 90 coordinates: [ 0.737611030000000, 0.666666666666667, 0.928887880000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 91 coordinates: [ 0.762388970000000, 0.166666666666667, 0.071112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.762388970000000, 0.500000000000000, 0.071112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.762388970000000, 0.833333333333333, 0.071112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 94 coordinates: [ 0.762388970000000, 0.166666666666667, 0.571112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 95 coordinates: [ 0.762388970000000, 0.500000000000000, 0.571112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 96 coordinates: [ 0.762388970000000, 0.833333333333333, 0.571112120000000 ] mass: 15.999400 reduced_to: 43 - symbol: Al # 97 coordinates: [ 0.200804400000000, 0.000000000000000, 0.410231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 98 coordinates: [ 0.200804400000000, 0.333333333333333, 0.410231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 99 coordinates: [ 0.200804400000000, 0.666666666666667, 0.410231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 100 coordinates: [ 0.200804400000000, 0.000000000000000, 0.910231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 101 coordinates: [ 0.200804400000000, 0.333333333333333, 0.910231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 102 coordinates: [ 0.200804400000000, 0.666666666666667, 0.910231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 103 coordinates: [ 0.299195600000000, 0.166666666666667, 0.089768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 104 coordinates: [ 0.299195600000000, 0.500000000000000, 0.089768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 105 coordinates: [ 0.299195600000000, 0.833333333333333, 0.089768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 106 coordinates: [ 0.299195600000000, 0.166666666666667, 0.589768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 107 coordinates: [ 0.299195600000000, 0.500000000000000, 0.589768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 108 coordinates: [ 0.299195600000000, 0.833333333333333, 0.589768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 109 coordinates: [ 0.700804400000000, 0.166666666666667, 0.410231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 110 coordinates: [ 0.700804400000000, 0.500000000000000, 0.410231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 111 coordinates: [ 0.700804400000000, 0.833333333333333, 0.410231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 112 coordinates: [ 0.700804400000000, 0.166666666666667, 0.910231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 113 coordinates: [ 0.700804400000000, 0.500000000000000, 0.910231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 114 coordinates: [ 0.700804400000000, 0.833333333333333, 0.910231895000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 115 coordinates: [ 0.799195600000000, 0.000000000000000, 0.089768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 116 coordinates: [ 0.799195600000000, 0.333333333333333, 0.089768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 117 coordinates: [ 0.799195600000000, 0.666666666666667, 0.089768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 118 coordinates: [ 0.799195600000000, 0.000000000000000, 0.589768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 119 coordinates: [ 0.799195600000000, 0.333333333333333, 0.589768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 120 coordinates: [ 0.799195600000000, 0.666666666666667, 0.589768105000000 ] mass: 26.981539 reduced_to: 103 - symbol: Ta # 121 coordinates: [ 0.105907000000000, 0.000000000000000, 0.115791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 122 coordinates: [ 0.105907000000000, 0.333333333333333, 0.115791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 123 coordinates: [ 0.105907000000000, 0.666666666666667, 0.115791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 124 coordinates: [ 0.105907000000000, 0.000000000000000, 0.615791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 125 coordinates: [ 0.105907000000000, 0.333333333333333, 0.615791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 126 coordinates: [ 0.105907000000000, 0.666666666666667, 0.615791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 127 coordinates: [ 0.394093000000000, 0.166666666666667, 0.384208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 128 coordinates: [ 0.394093000000000, 0.500000000000000, 0.384208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 129 coordinates: [ 0.394093000000000, 0.833333333333333, 0.384208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 130 coordinates: [ 0.394093000000000, 0.166666666666667, 0.884208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 131 coordinates: [ 0.394093000000000, 0.500000000000000, 0.884208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 132 coordinates: [ 0.394093000000000, 0.833333333333333, 0.884208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 133 coordinates: [ 0.605907000000000, 0.166666666666667, 0.115791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 134 coordinates: [ 0.605907000000000, 0.500000000000000, 0.115791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 135 coordinates: [ 0.605907000000000, 0.833333333333333, 0.115791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 136 coordinates: [ 0.605907000000000, 0.166666666666667, 0.615791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 137 coordinates: [ 0.605907000000000, 0.500000000000000, 0.615791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 138 coordinates: [ 0.605907000000000, 0.833333333333333, 0.615791290000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 139 coordinates: [ 0.894093000000000, 0.000000000000000, 0.384208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 140 coordinates: [ 0.894093000000000, 0.333333333333333, 0.384208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 141 coordinates: [ 0.894093000000000, 0.666666666666667, 0.384208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 142 coordinates: [ 0.894093000000000, 0.000000000000000, 0.884208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 143 coordinates: [ 0.894093000000000, 0.333333333333333, 0.884208710000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 144 coordinates: [ 0.894093000000000, 0.666666666666667, 0.884208710000000 ] mass: 180.947880 reduced_to: 127born_effective_charge:- # 1 (O) - [ -1.551554690000000, 0.000000000000000, 0.053951670000000 ] - [ 0.000000000000000, -4.989889240000000, 0.000000000000000 ] - [ -0.056228020000000, -0.000000000000000, -1.021285870000000 ]- # 2 (O) - [ -1.551554690000000, 0.000000000000000, 0.053951670000000 ] - [ 0.000000000000001, -4.989889240000000, 0.000000000000000 ] - [ -0.056228020000000, -0.000000000000000, -1.021285870000000 ]- # 3 (O) - [ -3.265819490000001, -0.000000000000000, -0.776685460000000 ] - [ -0.000000000000000, -1.050008050000000, -0.000000000000000 ] - [ -0.575667200000000, -0.000000000000000, -2.238109750000000 ]- # 4 (O) - [ -3.265819490000001, -0.000000000000000, -0.776685460000000 ] - [ -0.000000000000000, -1.050008050000000, -0.000000000000000 ] - [ -0.575667200000000, -0.000000000000000, -2.238109750000000 ]- # 5 (O) - [ -1.008665790000000, 0.000000000000000, -0.152847100000000 ] - [ 0.000000000000000, -1.106867990000000, -0.000000000000000 ] - [ 0.022921050000000, 0.000000000000000, -3.818690850000000 ]- # 6 (O) - [ -1.008665790000000, 0.000000000000000, -0.152847100000000 ] - [ 0.000000000000000, -1.106867990000000, -0.000000000000000 ] - [ 0.022921050000000, 0.000000000000000, -3.818690850000000 ]- # 7 (O) - [ -2.436133040000000, -0.000000000000000, 0.473804930000000 ] - [ -0.000000000000000, -2.298485680000000, 0.000000000000000 ] - [ 0.175359310000000, 0.000000000000000, -1.848927670000000 ]- # 8 (O) - [ -2.436133040000000, -0.000000000000000, 0.473804930000000 ] - [ -0.000000000000000, -2.298485680000000, 0.000000000000000 ] - [ 0.175359310000000, 0.000000000000000, -1.848927670000000 ]- # 9 (Al) - [ 3.640240640000000, 0.000000000000000, -0.420887400000000 ] - [ 0.000000000000000, 2.880650930000000, -0.000000000000000 ] - [ 0.010646220000000, -0.000000000000000, 3.703341600000000 ]- # 10 (Al) - [ 3.640240640000001, 0.000000000000000, -0.420887400000000 ] - [ 0.000000000000000, 2.880650930000000, -0.000000000000000 ] - [ 0.010646220000000, -0.000000000000000, 3.703341600000000 ]- # 11 (Ta) - [ 4.621932370000000, -0.000000000000000, 0.822663350000000 ] - [ -0.000000000000000, 6.564600020000000, 0.000000000000000 ] - [ 0.422968630000000, 0.000000000000000, 5.223672540000000 ]- # 12 (Ta) - [ 4.621932370000000, -0.000000000000000, 0.822663350000000 ] - [ -0.000000000000000, 6.564600020000000, 0.000000000000000 ] - [ 0.422968630000000, 0.000000000000000, 5.223672540000000 ]dielectric_constant: - [ 3.746946040000000, 0.000000000000000, 0.138186340000000 ] - [ 0.000000000000000, 4.103950770000000, 0.000000000000000 ] - [ 0.138183050000000, 0.000000000000000, 3.935068830000000 ]displacements:- atom: 1 displacement: [ 0.0099999992707097, 0.0000000000000000, -0.0000038191367309 ] forces: - [ -0.1128558900000000, 0.0000000000000000, 0.0132158900000000 ] - [ -0.0060240100000000, -0.0126262400000000, 0.0023248400000000 ] - [ -0.0060240100000000, 0.0126262400000000, 0.0023248400000000 ] - [ -0.0012879800000000, 0.0000000000000000, 0.0000260100000000 ] - [ -0.0010287900000000, 0.0002518000000000, 0.0000561300000000 ] - [ -0.0010287900000000, -0.0002518000000000, 0.0000561300000000 ] - [ -0.0002721500000000, -0.0027440000000000, 0.0000817600000000 ] - [ -0.0002721500000000, 0.0027440000000000, 0.0000817600000000 ] - [ 0.0001930400000000, 0.0000000000000000, -0.0002522200000000 ] - [ 0.0020284700000000, -0.0017681100000000, -0.0008307300000000 ] - [ 0.0020284700000000, 0.0017681100000000, -0.0008307300000000 ] - [ 0.0008384100000000, 0.0000000000000000, -0.0001260800000000 ] - [ 0.0006462400000000, -0.0000392300000000, -0.0006925000000000 ] - [ 0.0006462400000000, 0.0000392300000000, -0.0006925000000000 ] - [ 0.0006340100000000, 0.0000000000000000, -0.0003055700000000 ] - [ -0.0029282400000000, 0.0013749500000000, 0.0026465800000000 ] - [ -0.0029282400000000, -0.0013749500000000, 0.0026465800000000 ] - [ 0.0002325400000000, 0.0000000000000000, 0.0011780400000000 ] - [ 0.0042011100000000, 0.0000000000000000, 0.0001907900000000 ] - [ 0.0010300100000000, 0.0009361800000000, 0.0001905000000000 ] - [ 0.0010300100000000, -0.0009361800000000, 0.0001905000000000 ] - [ 0.0000090500000000, 0.0000000000000000, 0.0014046300000000 ] - [ -0.0003825400000000, 0.0001683300000000, 0.0000208800000000 ] - [ -0.0003825400000000, -0.0001683300000000, 0.0000208800000000 ] - [ 0.0120355800000000, 0.0000000000000000, 0.0211188900000000 ] - [ -0.0010962800000000, 0.0009878100000000, 0.0000217900000000 ] - [ -0.0010962800000000, -0.0009878100000000, 0.0000217900000000 ] - [ -0.0003696900000000, 0.0000000000000000, -0.0018929900000000 ] - [ -0.0004433600000000, 0.0001754500000000, -0.0010754200000000 ] - [ -0.0004433600000000, -0.0001754500000000, -0.0010754200000000 ] - [ -0.0021399200000000, 0.0032178700000000, -0.0062272200000000 ] - [ -0.0021399200000000, -0.0032178700000000, -0.0062272200000000 ] - [ 0.0002680900000000, 0.0000000000000000, -0.0014795000000000 ] - [ -0.0001022300000000, -0.0005434600000000, -0.0006620600000000 ] - [ -0.0001022300000000, 0.0005434600000000, -0.0006620600000000 ] - [ 0.0001326600000000, 0.0000000000000000, 0.0000789500000000 ] - [ -0.0030040900000000, 0.0000000000000000, -0.0001152000000000 ] - [ -0.0012863800000000, 0.0000220600000000, -0.0005969400000000 ] - [ -0.0012863800000000, -0.0000220600000000, -0.0005969400000000 ] - [ 0.0080281100000000, 0.0000000000000000, -0.0106949300000000 ] - [ -0.0011621800000000, 0.0024835200000000, -0.0011314600000000 ] - [ -0.0011621800000000, -0.0024835200000000, -0.0011314600000000 ] - [ 0.0081396500000000, -0.0290672600000000, -0.0039120300000000 ] - [ 0.0081396500000000, 0.0290672600000000, -0.0039120300000000 ] - [ -0.0019400200000000, 0.0000000000000000, 0.0005549700000000 ] - [ 0.0002058300000000, -0.0003220400000000, -0.0005203700000000 ] - [ 0.0002058300000000, 0.0003220400000000, -0.0005203700000000 ] - [ 0.0004516500000000, 0.0000000000000000, -0.0005668300000000 ] - [ 0.0000607600000000, -0.0006208900000000, 0.0002108800000000 ] - [ 0.0000607600000000, 0.0006208900000000, 0.0002108800000000 ] - [ -0.0001968200000000, 0.0000000000000000, 0.0002026600000000 ] - [ -0.0005715600000000, -0.0004998300000000, 0.0005111300000000 ] - [ -0.0005715600000000, 0.0004998300000000, 0.0005111300000000 ] - [ -0.0006652600000000, 0.0000000000000000, 0.0003669900000000 ] - [ 0.0014372000000000, 0.0000000000000000, -0.0003993300000000 ] - [ 0.0012201100000000, -0.0000801100000000, -0.0003783100000000 ] - [ 0.0012201100000000, 0.0000801100000000, -0.0003783100000000 ] - [ 0.0016856300000000, 0.0000000000000000, 0.0006649100000000 ] - [ 0.0014786800000000, -0.0006551000000000, 0.0003565400000000 ] - [ 0.0014786800000000, 0.0006551000000000, 0.0003565400000000 ] - [ 0.0033750900000000, 0.0000000000000000, 0.0019502900000000 ] - [ 0.0008384700000000, 0.0001293200000000, 0.0003477700000000 ] - [ 0.0008384700000000, -0.0001293200000000, 0.0003477700000000 ] - [ 0.0033383700000000, 0.0000000000000000, 0.0010915700000000 ] - [ 0.0016507000000000, 0.0000942400000000, 0.0003766000000000 ] - [ 0.0016507000000000, -0.0000942400000000, 0.0003766000000000 ] - [ 0.0039960100000000, 0.0076865200000000, 0.0017418600000000 ] - [ 0.0039960100000000, -0.0076865200000000, 0.0017418600000000 ] - [ 0.0008268700000000, 0.0000000000000000, 0.0005082600000000 ] - [ -0.0009492600000000, -0.0000343700000000, -0.0004552800000000 ] - [ -0.0009492600000000, 0.0000343700000000, -0.0004552800000000 ] - [ -0.0008203000000000, 0.0000000000000000, -0.0003026400000000 ] - [ 0.0004200200000000, 0.0001017700000000, -0.0017394000000000 ] - [ 0.0004200200000000, -0.0001017700000000, -0.0017394000000000 ] - [ -0.0001130700000000, 0.0000000000000000, -0.0009727400000000 ] - [ -0.0004679100000000, -0.0000018000000000, 0.0013125200000000 ] - [ -0.0004679100000000, 0.0000018000000000, 0.0013125200000000 ] - [ -0.0004841200000000, 0.0000000000000000, 0.0005356300000000 ] - [ 0.0012255500000000, 0.0000000000000000, 0.0007767000000000 ] - [ 0.0007081900000000, 0.0001007200000000, 0.0007706000000000 ] - [ 0.0007081900000000, -0.0001007200000000, 0.0007706000000000 ] - [ 0.0010496400000000, 0.0000000000000000, 0.0015987200000000 ] - [ 0.0008007300000000, 0.0000192800000000, 0.0010460900000000 ] - [ 0.0008007300000000, -0.0000192800000000, 0.0010460900000000 ] - [ 0.0000384000000000, -0.0002125100000000, 0.0002981700000000 ] - [ 0.0000384000000000, 0.0002125100000000, 0.0002981700000000 ] - [ -0.0002802900000000, 0.0000000000000000, 0.0002895900000000 ] - [ 0.0006526200000000, 0.0000010700000000, 0.0007693900000000 ] - [ 0.0006526200000000, -0.0000010700000000, 0.0007693900000000 ] - [ 0.0002171600000000, 0.0000000000000000, 0.0003670300000000 ] - [ 0.0031216500000000, 0.0000000000000000, -0.0004061400000000 ] - [ 0.0021123900000000, -0.0002803600000000, -0.0004199700000000 ] - [ 0.0021123900000000, 0.0002803600000000, -0.0004199700000000 ] - [ 0.0011522100000000, 0.0000000000000000, 0.0001350100000000 ] - [ 0.0008027800000000, 0.0000627800000000, -0.0000443600000000 ] - [ 0.0008027800000000, -0.0000627800000000, -0.0000443600000000 ] - [ 0.0016571800000000, 0.0006911500000000, 0.0031311800000000 ] - [ 0.0016571800000000, -0.0006911500000000, 0.0031311800000000 ] - [ 0.0004961100000000, 0.0000000000000000, 0.0013102300000000 ] - [ 0.0029939800000000, 0.0035841500000000, 0.0046442800000000 ] - [ 0.0029939800000000, -0.0035841500000000, 0.0046442800000000 ] - [ 0.0016943200000000, 0.0000000000000000, -0.0012660900000000 ] - [ 0.0149236700000000, 0.0000000000000000, -0.0000605000000000 ] - [ 0.0025727000000000, -0.0067734000000000, -0.0011846300000000 ] - [ 0.0025727000000000, 0.0067734000000000, -0.0011846300000000 ] - [ 0.0006457400000000, 0.0000000000000000, 0.0008693300000000 ] - [ 0.0001968700000000, -0.0002585100000000, 0.0008962700000000 ] - [ 0.0001968700000000, 0.0002585100000000, 0.0008962700000000 ] - [ -0.0019556900000000, 0.0000000000000000, -0.0007325300000000 ] - [ -0.0005773800000000, -0.0001519900000000, -0.0004801100000000 ] - [ -0.0005773800000000, 0.0001519900000000, -0.0004801100000000 ] - [ -0.0025572700000000, 0.0000000000000000, -0.0008439500000000 ] - [ -0.0015022500000000, 0.0001435000000000, -0.0006216900000000 ] - [ -0.0015022500000000, -0.0001435000000000, -0.0006216900000000 ] - [ -0.0045474500000000, -0.0000977900000000, 0.0006554500000000 ] - [ -0.0045474500000000, 0.0000977900000000, 0.0006554500000000 ] - [ -0.0015208800000000, 0.0000000000000000, 0.0005034000000000 ] - [ -0.0002472800000000, 0.0001859500000000, -0.0005887200000000 ] - [ -0.0002472800000000, -0.0001859500000000, -0.0005887200000000 ] - [ -0.0001151200000000, 0.0000000000000000, -0.0003297800000000 ] - [ 0.0345421100000000, 0.0207393800000000, -0.0058562400000000 ] - [ 0.0345421100000000, -0.0207393800000000, -0.0058562400000000 ] - [ -0.0004263900000000, 0.0000000000000000, -0.0001977800000000 ] - [ 0.0010547200000000, 0.0003919500000000, 0.0006842100000000 ] - [ 0.0010547200000000, -0.0003919500000000, 0.0006842100000000 ] - [ 0.0007537300000000, 0.0000000000000000, -0.0001397000000000 ] - [ 0.0019443300000000, 0.0000000000000000, -0.0110127800000000 ] - [ 0.0005208600000000, -0.0017106500000000, 0.0006332200000000 ] - [ 0.0005208600000000, 0.0017106500000000, 0.0006332200000000 ] - [ -0.0060561300000000, 0.0000000000000000, 0.0018538300000000 ] - [ -0.0014218500000000, -0.0016380400000000, 0.0013434200000000 ] - [ -0.0014218500000000, 0.0016380400000000, 0.0013434200000000 ] - [ -0.0045104300000000, 0.0000000000000000, -0.0016533400000000 ] - [ -0.0018486300000000, -0.0005295700000000, -0.0013220200000000 ] - [ -0.0018486300000000, 0.0005295700000000, -0.0013220200000000 ] - [ -0.0013664800000000, 0.0000000000000000, -0.0031341400000000 ] - [ -0.0003385200000000, -0.0003680100000000, -0.0015592100000000 ] - [ -0.0003385200000000, 0.0003680100000000, -0.0015592100000000 ] - [ -0.0013176900000000, -0.0000673500000000, 0.0022977500000000 ] - [ -0.0013176900000000, 0.0000673500000000, 0.0022977500000000 ] - [ -0.0007683100000000, 0.0000000000000000, 0.0014598800000000 ] - [ -0.0011127800000000, -0.0009765100000000, -0.0043730000000000 ] - [ -0.0011127800000000, 0.0009765100000000, -0.0043730000000000 ] - [ -0.0008170300000000, 0.0000000000000000, -0.0007637500000000 ]- atom: 1 displacement: [ -0.0099999992707097, 0.0000000000000000, 0.0000038191367309 ] forces: - [ 0.1064998400000000, 0.0000000000000000, -0.0123692100000000 ] - [ 0.0041269300000000, 0.0126207700000000, -0.0018086600000000 ] - [ 0.0041269300000000, -0.0126207700000000, -0.0018086600000000 ] - [ -0.0005664800000000, 0.0000000000000000, 0.0004858000000000 ] - [ -0.0008247400000000, -0.0002504000000000, 0.0004560500000000 ] - [ -0.0008247400000000, 0.0002504000000000, 0.0004560500000000 ] - [ 0.0021187200000000, 0.0027267600000000, -0.0005928800000000 ] - [ 0.0021187200000000, -0.0027267600000000, -0.0005928800000000 ] - [ 0.0016572100000000, 0.0000000000000000, -0.0002601700000000 ] - [ -0.0001767500000000, 0.0017582300000000, 0.0003215100000000 ] - [ -0.0001767500000000, -0.0017582300000000, 0.0003215100000000 ] - [ 0.0010107400000000, 0.0000000000000000, -0.0003840600000000 ] - [ 0.0004766500000000, 0.0000380100000000, 0.0009893100000000 ] - [ 0.0004766500000000, -0.0000380100000000, 0.0009893100000000 ] - [ 0.0004849500000000, 0.0000000000000000, 0.0006028100000000 ] - [ 0.0040763000000000, -0.0013388200000000, -0.0023069600000000 ] - [ 0.0040763000000000, 0.0013388200000000, -0.0023069600000000 ] - [ 0.0008909700000000, 0.0000000000000000, -0.0008752200000000 ] - [ -0.0052898400000000, 0.0000000000000000, -0.0004907300000000 ] - [ -0.0021554400000000, -0.0009377500000000, -0.0004897900000000 ] - [ -0.0021554400000000, 0.0009377500000000, -0.0004897900000000 ] - [ -0.0011222500000000, 0.0000000000000000, -0.0016909200000000 ] - [ -0.0007362300000000, -0.0001673100000000, -0.0003194000000000 ] - [ -0.0007362300000000, 0.0001673100000000, -0.0003194000000000 ] - [ -0.0128321200000000, 0.0000000000000000, -0.0218709200000000 ] - [ 0.0001118400000000, -0.0009872000000000, -0.0010344600000000 ] - [ 0.0001118400000000, 0.0009872000000000, -0.0010344600000000 ] - [ -0.0006121300000000, 0.0000000000000000, 0.0008853300000000 ] - [ -0.0005394400000000, -0.0001748000000000, 0.0000737200000000 ] - [ -0.0005394400000000, 0.0001748000000000, 0.0000737200000000 ] - [ 0.0031638000000000, -0.0031720500000000, 0.0072026900000000 ] - [ 0.0031638000000000, 0.0031720500000000, 0.0072026900000000 ] - [ 0.0007139500000000, 0.0000000000000000, 0.0024786700000000 ] - [ 0.0010807700000000, 0.0005401500000000, 0.0016667500000000 ] - [ 0.0010807700000000, -0.0005401500000000, 0.0016667500000000 ] - [ 0.0008480500000000, 0.0000000000000000, 0.0009318300000000 ] - [ 0.0018625500000000, 0.0000000000000000, 0.0006225100000000 ] - [ 0.0001595100000000, -0.0000219300000000, 0.0011037000000000 ] - [ 0.0001595100000000, 0.0000219300000000, 0.0011037000000000 ] - [ -0.0090804700000000, 0.0000000000000000, 0.0110711800000000 ] - [ 0.0000322700000000, -0.0024827800000000, 0.0016441500000000 ] - [ 0.0000322700000000, 0.0024827800000000, 0.0016441500000000 ] - [ -0.0069864400000000, 0.0288556700000000, 0.0033488400000000 ] - [ -0.0069864400000000, -0.0288556700000000, 0.0033488400000000 ] - [ 0.0030536200000000, 0.0000000000000000, -0.0010631600000000 ] - [ 0.0009161000000000, 0.0003198600000000, 0.0000097000000000 ] - [ 0.0009161000000000, -0.0003198600000000, 0.0000097000000000 ] - [ 0.0006715900000000, 0.0000000000000000, 0.0000561100000000 ] - [ -0.0019125600000000, 0.0006142800000000, 0.0003005400000000 ] - [ -0.0019125600000000, -0.0006142800000000, 0.0003005400000000 ] - [ -0.0016558500000000, 0.0000000000000000, 0.0003086500000000 ] - [ -0.0012805900000000, 0.0004960900000000, 0.0000026500000000 ] - [ -0.0012805900000000, -0.0004960900000000, 0.0000026500000000 ] - [ -0.0011876400000000, 0.0000000000000000, 0.0001455700000000 ] - [ 0.0004182100000000, 0.0000000000000000, -0.0001119900000000 ] - [ 0.0006343000000000, 0.0000818500000000, -0.0001334300000000 ] - [ 0.0006343000000000, -0.0000818500000000, -0.0001334300000000 ] - [ 0.0001720600000000, 0.0000000000000000, -0.0011773800000000 ] - [ 0.0003776500000000, 0.0006550100000000, -0.0008712500000000 ] - [ 0.0003776500000000, -0.0006550100000000, -0.0008712500000000 ] - [ -0.0022390100000000, 0.0000000000000000, -0.0016422300000000 ] - [ 0.0002778800000000, -0.0001285600000000, -0.0000497000000000 ] - [ 0.0002778800000000, 0.0001285600000000, -0.0000497000000000 ] - [ -0.0022084100000000, 0.0000000000000000, -0.0007900700000000 ] - [ -0.0005356100000000, -0.0000933500000000, -0.0000792300000000 ] - [ -0.0005356100000000, 0.0000933500000000, -0.0000792300000000 ] - [ -0.0051892800000000, -0.0077805000000000, -0.0020796800000000 ] - [ -0.0051892800000000, 0.0077805000000000, -0.0020796800000000 ] - [ -0.0019363100000000, 0.0000000000000000, -0.0008038200000000 ] - [ -0.0001685400000000, 0.0000340900000000, 0.0001585900000000 ] - [ -0.0001685400000000, -0.0000340900000000, 0.0001585900000000 ] - [ -0.0002986700000000, 0.0000000000000000, 0.0000043700000000 ] - [ -0.0014017000000000, -0.0001026300000000, 0.0007389100000000 ] - [ -0.0014017000000000, 0.0001026300000000, 0.0007389100000000 ] - [ -0.0008678900000000, 0.0000000000000000, -0.0000320900000000 ] - [ -0.0005119700000000, 0.0000012500000000, -0.0023152800000000 ] - [ -0.0005119700000000, -0.0000012500000000, -0.0023152800000000 ] - [ -0.0004969500000000, 0.0000000000000000, -0.0015392100000000 ] - [ -0.0002405400000000, 0.0000000000000000, 0.0002274000000000 ] - [ 0.0002740000000000, -0.0000999000000000, 0.0002300700000000 ] - [ 0.0002740000000000, 0.0000999000000000, 0.0002300700000000 ] - [ -0.0000653900000000, 0.0000000000000000, -0.0005897400000000 ] - [ 0.0001819800000000, -0.0000188400000000, -0.0000392100000000 ] - [ 0.0001819800000000, 0.0000188400000000, -0.0000392100000000 ] - [ -0.0011604500000000, 0.0002108200000000, 0.0002129600000000 ] - [ -0.0011604500000000, -0.0002108200000000, 0.0002129600000000 ] - [ -0.0008423500000000, 0.0000000000000000, 0.0002210400000000 ] - [ -0.0017735500000000, -0.0000016200000000, -0.0002634800000000 ] - [ -0.0017735500000000, 0.0000016200000000, -0.0002634800000000 ] - [ -0.0013377600000000, 0.0000000000000000, 0.0001419400000000 ] - [ -0.0019972700000000, 0.0000000000000000, -0.0001060300000000 ] - [ -0.0009908800000000, 0.0002836500000000, -0.0000911600000000 ] - [ -0.0009908800000000, -0.0002836500000000, -0.0000911600000000 ] - [ -0.0000242500000000, 0.0000000000000000, -0.0006417500000000 ] - [ 0.0003226800000000, -0.0000622900000000, -0.0004640700000000 ] - [ 0.0003226800000000, 0.0000622900000000, -0.0004640700000000 ] - [ -0.0017624400000000, -0.0006882400000000, -0.0035800000000000 ] - [ -0.0017624400000000, 0.0006882400000000, -0.0035800000000000 ] - [ -0.0006086100000000, 0.0000000000000000, -0.0017762500000000 ] - [ -0.0030900400000000, -0.0035664800000000, -0.0051286600000000 ] - [ -0.0030900400000000, 0.0035664800000000, -0.0051286600000000 ] - [ -0.0018052500000000, 0.0000000000000000, 0.0007893200000000 ] - [ -0.0114069200000000, 0.0000000000000000, 0.0003009500000000 ] - [ -0.0024536400000000, 0.0067901100000000, 0.0016632600000000 ] - [ -0.0024536400000000, -0.0067901100000000, 0.0016632600000000 ] - [ -0.0005292800000000, 0.0000000000000000, -0.0003964500000000 ] - [ -0.0000831900000000, 0.0002572500000000, -0.0004235800000000 ] - [ -0.0000831900000000, -0.0002572500000000, -0.0004235800000000 ] - [ 0.0018334600000000, 0.0000000000000000, 0.0002577500000000 ] - [ 0.0004641200000000, 0.0001504200000000, 0.0000083300000000 ] - [ 0.0004641200000000, -0.0001504200000000, 0.0000083300000000 ] - [ 0.0024375600000000, 0.0000000000000000, 0.0003745600000000 ] - [ 0.0013879100000000, -0.0001450100000000, 0.0001512500000000 ] - [ 0.0013879100000000, 0.0001450100000000, 0.0001512500000000 ] - [ 0.0046713200000000, 0.0000989100000000, -0.0001849800000000 ] - [ 0.0046713200000000, -0.0000989100000000, -0.0001849800000000 ] - [ 0.0016292200000000, 0.0000000000000000, -0.0000308600000000 ] - [ 0.0003583500000000, -0.0001847400000000, 0.0010559400000000 ] - [ 0.0003583500000000, 0.0001847400000000, 0.0010559400000000 ] - [ 0.0002269800000000, 0.0000000000000000, 0.0007987800000000 ] - [ -0.0335581700000000, -0.0207872500000000, 0.0041316500000000 ] - [ -0.0335581700000000, 0.0207872500000000, 0.0041316500000000 ] - [ 0.0009372100000000, 0.0000000000000000, -0.0014861900000000 ] - [ -0.0005184200000000, -0.0003904000000000, -0.0023717400000000 ] - [ -0.0005184200000000, 0.0003904000000000, -0.0023717400000000 ] - [ -0.0002195500000000, 0.0000000000000000, -0.0015503700000000 ] - [ -0.0024668700000000, 0.0000000000000000, 0.0126567200000000 ] - [ -0.0010516800000000, 0.0017006200000000, 0.0010613200000000 ] - [ -0.0010516800000000, -0.0017006200000000, 0.0010613200000000 ] - [ 0.0055020700000000, 0.0000000000000000, -0.0001683400000000 ] - [ 0.0008960100000000, 0.0016312800000000, 0.0003383200000000 ] - [ 0.0008960100000000, -0.0016312800000000, 0.0003383200000000 ] - [ 0.0050304600000000, 0.0000000000000000, -0.0000333900000000 ] - [ 0.0023877700000000, 0.0005246100000000, -0.0003615500000000 ] - [ 0.0023877700000000, -0.0005246100000000, -0.0003615500000000 ] - [ 0.0018903500000000, 0.0000000000000000, 0.0014355400000000 ] - [ 0.0008703000000000, 0.0003653200000000, -0.0001293200000000 ] - [ 0.0008703000000000, -0.0003653200000000, -0.0001293200000000 ] - [ 0.0007790100000000, 0.0000693700000000, -0.0006150700000000 ] - [ 0.0007790100000000, -0.0000693700000000, -0.0006150700000000 ] - [ 0.0002316700000000, 0.0000000000000000, 0.0002285000000000 ] - [ 0.0005452800000000, 0.0009745800000000, 0.0060675800000000 ] - [ 0.0005452800000000, -0.0009745800000000, 0.0060675800000000 ] - [ 0.0002759200000000, 0.0000000000000000, 0.0024467000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011760600000000, -0.3375036200000000, -0.0005093400000000 ] - [ 0.0117711700000000, 0.0437950600000000, -0.0035713900000000 ] - [ -0.0134746400000000, 0.0434608900000000, 0.0040368400000000 ] - [ -0.0009242500000000, -0.0025933400000000, 0.0002596000000000 ] - [ -0.0011788200000000, 0.0012808000000000, 0.0004408400000000 ] - [ -0.0006765900000000, 0.0012916700000000, 0.0000775400000000 ] - [ -0.0017920300000000, -0.0020733300000000, -0.0017109200000000 ] - [ 0.0036791000000000, -0.0021382400000000, 0.0011955800000000 ] - [ 0.0009352300000000, 0.0045357700000000, -0.0002550200000000 ] - [ -0.0008443000000000, -0.0018334400000000, 0.0009825300000000 ] - [ 0.0026814100000000, -0.0018789800000000, -0.0014914300000000 ] - [ 0.0009289000000000, 0.0036726100000000, -0.0002577000000000 ] - [ 0.0030947400000000, -0.0004707500000000, -0.0019838800000000 ] - [ -0.0019918100000000, -0.0004752800000000, 0.0023058300000000 ] - [ 0.0005549400000000, 0.0008109100000000, 0.0001544400000000 ] - [ 0.0071315500000000, 0.0060888800000000, 0.0161239400000000 ] - [ -0.0059558600000000, 0.0060344100000000, -0.0158959400000000 ] - [ 0.0005599600000000, 0.0032176000000000, 0.0001350600000000 ] - [ -0.0005975800000000, -0.0024263300000000, -0.0001530400000000 ] - [ 0.0023776600000000, 0.0016536300000000, -0.0003003200000000 ] - [ -0.0034975900000000, 0.0016592200000000, -0.0000056300000000 ] - [ -0.0005606600000000, -0.0006367800000000, -0.0001633900000000 ] - [ -0.0000237400000000, 0.0003134800000000, 0.0006111300000000 ] - [ -0.0010908500000000, 0.0003176200000000, -0.0009069400000000 ] - [ -0.0006155900000000, -0.0061501300000000, -0.0007057500000000 ] - [ 0.0011521000000000, 0.0019791500000000, 0.0040154300000000 ] - [ -0.0021214200000000, 0.0019915800000000, -0.0050064600000000 ] - [ -0.0004921000000000, -0.0006751700000000, -0.0004858800000000 ] - [ -0.0004582600000000, 0.0003324500000000, -0.0011453900000000 ] - [ -0.0005249300000000, 0.0003366200000000, 0.0001541500000000 ] - [ 0.0031859800000000, 0.0072229700000000, -0.0290903600000000 ] - [ -0.0021983400000000, 0.0071545600000000, 0.0305620400000000 ] - [ 0.0004925400000000, 0.0041577900000000, 0.0005251300000000 ] - [ -0.0004595200000000, -0.0005556000000000, 0.0022190200000000 ] - [ 0.0014442800000000, -0.0005690600000000, -0.0011832800000000 ] - [ 0.0004930600000000, 0.0011126200000000, 0.0005043200000000 ] - [ -0.0005353100000000, -0.0051862100000000, 0.0002664400000000 ] - [ 0.0002638600000000, 0.0025083100000000, 0.0028348600000000 ] - [ -0.0013702500000000, 0.0025061500000000, -0.0022986500000000 ] - [ -0.0006697300000000, -0.0071319100000000, 0.0003524400000000 ] - [ 0.0020804600000000, 0.0043026600000000, -0.0034008900000000 ] - [ -0.0032023300000000, 0.0043305000000000, 0.0039099400000000 ] - [ -0.0253224600000000, 0.0257523100000000, 0.0080984200000000 ] - [ 0.0268124700000000, 0.0258153000000000, -0.0087017600000000 ] - [ 0.0005826600000000, 0.0101089000000000, -0.0002651500000000 ] - [ 0.0003771500000000, -0.0008488700000000, -0.0006689700000000 ] - [ 0.0007500600000000, -0.0008574300000000, 0.0001672600000000 ] - [ 0.0005614200000000, 0.0017089100000000, -0.0002507700000000 ] - [ -0.0003165700000000, -0.0015585400000000, 0.0001772300000000 ] - [ -0.0015512500000000, -0.0015771100000000, 0.0003343700000000 ] - [ -0.0009319000000000, 0.0031514100000000, 0.0002562500000000 ] - [ -0.0004318200000000, -0.0008847300000000, 0.0003882500000000 ] - [ -0.0014269900000000, -0.0009002200000000, 0.0001223900000000 ] - [ -0.0009296100000000, 0.0017864300000000, 0.0002562800000000 ] - [ 0.0009226200000000, -0.0033179600000000, -0.0002548300000000 ] - [ 0.0008434300000000, 0.0016606900000000, -0.0001075300000000 ] - [ 0.0010055500000000, 0.0016630600000000, -0.0004017200000000 ] - [ 0.0009375500000000, -0.0107956300000000, -0.0002600400000000 ] - [ 0.0002714100000000, 0.0056916500000000, -0.0016319500000000 ] - [ 0.0015823500000000, 0.0057006700000000, 0.0011027700000000 ] - [ 0.0005281700000000, -0.0005610300000000, 0.0001301500000000 ] - [ 0.0016530800000000, 0.0003052100000000, 0.0008557500000000 ] - [ -0.0005360100000000, 0.0003086000000000, -0.0005556900000000 ] - [ 0.0005338700000000, -0.0007747000000000, 0.0001376600000000 ] - [ 0.0008099100000000, 0.0003845200000000, 0.0001743200000000 ] - [ 0.0002914400000000, 0.0003875600000000, 0.0001179600000000 ] - [ 0.0239795400000000, 0.0008453500000000, 0.0107575900000000 ] - [ -0.0254398800000000, 0.0007797400000000, -0.0112253300000000 ] - [ -0.0005817600000000, 0.0028303000000000, -0.0001630700000000 ] - [ -0.0003802300000000, -0.0002088200000000, -0.0002349200000000 ] - [ -0.0007322300000000, -0.0002103900000000, -0.0000523200000000 ] - [ -0.0005580900000000, 0.0004261100000000, -0.0001473500000000 ] - [ 0.0016247500000000, -0.0004657200000000, -0.0033688200000000 ] - [ -0.0026205200000000, -0.0004693100000000, 0.0023875500000000 ] - [ -0.0004955000000000, 0.0009336200000000, -0.0004936300000000 ] - [ 0.0000624200000000, -0.0005994000000000, 0.0041241500000000 ] - [ -0.0010425000000000, -0.0006038500000000, -0.0051500600000000 ] - [ -0.0004910100000000, 0.0010073300000000, -0.0005110500000000 ] - [ 0.0004836300000000, -0.0006034100000000, 0.0004976800000000 ] - [ 0.0006335800000000, 0.0003133400000000, 0.0008678600000000 ] - [ 0.0003461300000000, 0.0003159100000000, 0.0001258000000000 ] - [ 0.0004892600000000, -0.0008376900000000, 0.0004951100000000 ] - [ 0.0003139700000000, 0.0004147000000000, -0.0001367800000000 ] - [ 0.0006653100000000, 0.0004166900000000, 0.0011322100000000 ] - [ -0.0000818700000000, -0.0004958300000000, 0.0000434900000000 ] - [ -0.0010534300000000, -0.0005027700000000, 0.0004690000000000 ] - [ -0.0005639000000000, 0.0009997700000000, 0.0002563600000000 ] - [ 0.0024358700000000, -0.0009906600000000, 0.0014664800000000 ] - [ -0.0035744100000000, -0.0009999400000000, -0.0009785800000000 ] - [ -0.0005669000000000, 0.0020966200000000, 0.0002518800000000 ] - [ 0.0005413900000000, -0.0039050700000000, -0.0002560900000000 ] - [ -0.0013378400000000, 0.0019814400000000, -0.0002600500000000 ] - [ 0.0024351500000000, 0.0019789800000000, -0.0002525200000000 ] - [ 0.0005565700000000, -0.0012552800000000, -0.0002561500000000 ] - [ 0.0005668200000000, 0.0006244300000000, -0.0004462000000000 ] - [ 0.0005541800000000, 0.0006286200000000, -0.0000636300000000 ] - [ 0.0017557500000000, 0.0019095900000000, 0.0141517100000000 ] - [ -0.0019040800000000, 0.0019315100000000, -0.0147343000000000 ] - [ -0.0000610100000000, -0.0039402100000000, -0.0002549300000000 ] - [ 0.0048690700000000, 0.0024828600000000, -0.0097104200000000 ] - [ -0.0049684300000000, 0.0026038000000000, 0.0091737700000000 ] - [ -0.0000699300000000, -0.0054265400000000, -0.0002255700000000 ] - [ 0.0004271200000000, 0.0281339800000000, 0.0002060400000000 ] - [ -0.0074720200000000, -0.0104058800000000, -0.0004870900000000 ] - [ 0.0075487200000000, -0.0104741500000000, 0.0009791800000000 ] - [ 0.0000496200000000, 0.0013266000000000, 0.0002287000000000 ] - [ 0.0002641900000000, -0.0006600200000000, -0.0007298300000000 ] - [ -0.0001535800000000, -0.0006677400000000, 0.0011848100000000 ] - [ -0.0000367700000000, 0.0012543900000000, -0.0002325800000000 ] - [ -0.0004701100000000, -0.0006247900000000, -0.0004864000000000 ] - [ 0.0003647700000000, -0.0006300700000000, 0.0000160200000000 ] - [ -0.0000468500000000, 0.0040984200000000, -0.0002280100000000 ] - [ 0.0011071400000000, -0.0020410300000000, 0.0005633400000000 ] - [ -0.0012026000000000, -0.0020440500000000, -0.0010234800000000 ] - [ -0.0111392500000000, 0.0016184600000000, 0.0018172300000000 ] - [ 0.0113433000000000, 0.0016257400000000, -0.0013563200000000 ] - [ 0.0000737700000000, -0.0032617400000000, 0.0002346100000000 ] - [ -0.0006204500000000, 0.0005885500000000, -0.0014527200000000 ] - [ 0.0007376600000000, 0.0005957800000000, 0.0019254800000000 ] - [ 0.0000583400000000, -0.0011885300000000, 0.0002381900000000 ] - [ 0.0342086700000000, 0.0873398200000000, -0.0170713600000000 ] - [ -0.0361210900000000, 0.0954864200000000, 0.0161583000000000 ] - [ 0.0002734600000000, -0.0403451400000000, -0.0008393500000000 ] - [ 0.0010751700000000, 0.0012393400000000, -0.0007848700000000 ] - [ -0.0005477900000000, 0.0012537800000000, -0.0009480300000000 ] - [ 0.0002644900000000, -0.0024790500000000, -0.0008517400000000 ] - [ -0.0002937100000000, 0.0076198200000000, 0.0009806900000000 ] - [ -0.0023378600000000, -0.0037618500000000, -0.0038170300000000 ] - [ 0.0017798200000000, -0.0037994000000000, 0.0054893200000000 ] - [ -0.0002049600000000, 0.0044980900000000, 0.0008371600000000 ] - [ -0.0027489100000000, -0.0022806200000000, 0.0023284200000000 ] - [ 0.0022298400000000, -0.0023123100000000, -0.0006408300000000 ] - [ 0.0003044400000000, 0.0030554900000000, -0.0008346100000000 ] - [ -0.0005262800000000, -0.0015200900000000, -0.0015101100000000 ] - [ 0.0010826200000000, -0.0015351600000000, -0.0001687500000000 ] - [ 0.0002797900000000, 0.0022153800000000, -0.0008261500000000 ] - [ -0.0001943400000000, -0.0010961700000000, -0.0008459400000000 ] - [ 0.0007313300000000, -0.0011094400000000, -0.0008376400000000 ] - [ -0.0037410800000000, 0.0014986500000000, 0.0030994600000000 ] - [ 0.0032328300000000, 0.0015054700000000, -0.0014349200000000 ] - [ -0.0002592600000000, -0.0030038300000000, 0.0008358400000000 ] - [ -0.0111747500000000, 0.0044499400000000, -0.0133991000000000 ] - [ 0.0105620200000000, 0.0045064000000000, 0.0151720500000000 ] - [ -0.0002603600000000, -0.0087940300000000, 0.0008670100000000 ]- atom: 1 displacement: [ -0.0030426590634358, 0.0000000000000000, 0.0095258713944548 ] forces: - [ 0.0441479200000000, 0.0000000000000000, -0.0633445700000000 ] - [ 0.0025726200000000, 0.0074359300000000, -0.0004516600000000 ] - [ 0.0025726200000000, -0.0074359300000000, -0.0004516600000000 ] - [ -0.0010307600000000, 0.0000000000000000, 0.0007829000000000 ] - [ -0.0010810500000000, -0.0002474200000000, 0.0005681600000000 ] - [ -0.0010810500000000, 0.0002474200000000, 0.0005681600000000 ] - [ 0.0016097200000000, -0.0005492100000000, 0.0001391900000000 ] - [ 0.0016097200000000, 0.0005492100000000, 0.0001391900000000 ] - [ 0.0011495200000000, 0.0000000000000000, -0.0001554800000000 ] - [ 0.0000384700000000, 0.0017054300000000, -0.0000467500000000 ] - [ 0.0000384700000000, -0.0017054300000000, -0.0000467500000000 ] - [ 0.0010689500000000, 0.0000000000000000, -0.0003560900000000 ] - [ -0.0002320900000000, -0.0000352100000000, 0.0011642000000000 ] - [ -0.0002320900000000, 0.0000352100000000, 0.0011642000000000 ] - [ 0.0003069900000000, 0.0000000000000000, 0.0005218800000000 ] - [ 0.0055285400000000, 0.0074844600000000, 0.0050840600000000 ] - [ 0.0055285400000000, -0.0074844600000000, 0.0050840600000000 ] - [ 0.0003931300000000, 0.0000000000000000, -0.0007834900000000 ] - [ -0.0027068400000000, 0.0000000000000000, -0.0013625300000000 ] - [ -0.0013490100000000, -0.0005517500000000, -0.0005285300000000 ] - [ -0.0013490100000000, 0.0005517500000000, -0.0005285300000000 ] - [ -0.0002479500000000, 0.0000000000000000, 0.0006210900000000 ] - [ -0.0003204200000000, 0.0000092000000000, 0.0002504600000000 ] - [ -0.0003204200000000, -0.0000092000000000, 0.0002504600000000 ] - [ 0.0052764800000000, 0.0000000000000000, 0.0018424700000000 ] - [ -0.0000110900000000, -0.0003710000000000, -0.0011932700000000 ] - [ -0.0000110900000000, 0.0003710000000000, -0.0011932700000000 ] - [ -0.0007224300000000, 0.0000000000000000, 0.0010104100000000 ] - [ -0.0005540200000000, -0.0001250100000000, 0.0001114700000000 ] - [ -0.0005540200000000, 0.0001250100000000, 0.0001114700000000 ] - [ -0.0018888900000000, -0.0123014200000000, 0.0053925700000000 ] - [ -0.0018888900000000, 0.0123014200000000, 0.0053925700000000 ] - [ 0.0005087700000000, 0.0000000000000000, 0.0008842700000000 ] - [ 0.0004032600000000, 0.0005019400000000, 0.0025954700000000 ] - [ 0.0004032600000000, -0.0005019400000000, 0.0025954700000000 ] - [ 0.0005748500000000, 0.0000000000000000, 0.0010391700000000 ] - [ -0.0003264900000000, 0.0000000000000000, 0.0016939700000000 ] - [ -0.0002505500000000, 0.0005064400000000, 0.0012744300000000 ] - [ -0.0002505500000000, -0.0005064400000000, 0.0012744300000000 ] - [ -0.0126490300000000, 0.0000000000000000, 0.0105098000000000 ] - [ -0.0005329400000000, -0.0012144800000000, 0.0004474500000000 ] - [ -0.0005329400000000, 0.0012144800000000, 0.0004474500000000 ] - [ -0.0041611100000000, 0.0154860700000000, -0.0040313500000000 ] - [ -0.0041611100000000, -0.0154860700000000, -0.0040313500000000 ] - [ 0.0019745000000000, 0.0000000000000000, -0.0011906000000000 ] - [ 0.0003231900000000, -0.0000142200000000, 0.0005361900000000 ] - [ 0.0003231900000000, 0.0000142200000000, 0.0005361900000000 ] - [ 0.0004093300000000, 0.0000000000000000, 0.0002718700000000 ] - [ -0.0012659700000000, 0.0002611000000000, 0.0000619900000000 ] - [ -0.0012659700000000, -0.0002611000000000, 0.0000619900000000 ] - [ -0.0011953100000000, 0.0000000000000000, 0.0001660400000000 ] - [ -0.0007884600000000, 0.0000247300000000, 0.0004622800000000 ] - [ -0.0007884600000000, -0.0000247300000000, 0.0004622800000000 ] - [ -0.0008962500000000, 0.0000000000000000, 0.0003518900000000 ] - [ 0.0006299600000000, 0.0000000000000000, -0.0001104900000000 ] - [ 0.0007161500000000, 0.0001656100000000, -0.0001458100000000 ] - [ 0.0007161500000000, -0.0001656100000000, -0.0001458100000000 ] - [ 0.0015692500000000, 0.0000000000000000, -0.0006533300000000 ] - [ 0.0013381300000000, -0.0010978600000000, -0.0007665900000000 ] - [ 0.0013381300000000, 0.0010978600000000, -0.0007665900000000 ] - [ 0.0016226000000000, 0.0000000000000000, 0.0008762200000000 ] - [ 0.0009691500000000, 0.0000366100000000, 0.0004123000000000 ] - [ 0.0009691500000000, -0.0000366100000000, 0.0004123000000000 ] - [ -0.0014771600000000, 0.0000000000000000, -0.0010987000000000 ] - [ 0.0000985200000000, -0.0001065100000000, -0.0000677100000000 ] - [ 0.0000985200000000, 0.0001065100000000, -0.0000677100000000 ] - [ -0.0034970200000000, -0.0010603400000000, -0.0034895000000000 ] - [ -0.0034970200000000, 0.0010603400000000, -0.0034895000000000 ] - [ -0.0018186500000000, 0.0000000000000000, -0.0010806200000000 ] - [ -0.0004560400000000, 0.0000117900000000, 0.0004355700000000 ] - [ -0.0004560400000000, -0.0000117900000000, 0.0004355700000000 ] - [ -0.0005026100000000, 0.0000000000000000, 0.0000966500000000 ] - [ -0.0010504600000000, -0.0000883800000000, -0.0001904600000000 ] - [ -0.0010504600000000, 0.0000883800000000, -0.0001904600000000 ] - [ -0.0007330500000000, 0.0000000000000000, -0.0004595300000000 ] - [ -0.0002415900000000, 0.0000155700000000, -0.0000031100000000 ] - [ -0.0002415900000000, -0.0000155700000000, -0.0000031100000000 ] - [ -0.0004590900000000, 0.0000000000000000, -0.0005895700000000 ] - [ 0.0005179500000000, 0.0000000000000000, -0.0004334800000000 ] - [ 0.0004668600000000, -0.0000169200000000, 0.0000214800000000 ] - [ 0.0004668600000000, 0.0000169200000000, 0.0000214800000000 ] - [ 0.0004750700000000, 0.0000000000000000, 0.0013511100000000 ] - [ 0.0004841500000000, -0.0000500900000000, 0.0009193800000000 ] - [ 0.0004841500000000, 0.0000500900000000, 0.0009193800000000 ] - [ -0.0006955000000000, -0.0000193300000000, 0.0003863200000000 ] - [ -0.0006955000000000, 0.0000193300000000, 0.0003863200000000 ] - [ -0.0006606800000000, 0.0000000000000000, 0.0003217800000000 ] - [ -0.0003561600000000, 0.0002598500000000, -0.0004125200000000 ] - [ -0.0003561600000000, -0.0002598500000000, -0.0004125200000000 ] - [ -0.0006991400000000, 0.0000000000000000, 0.0000581600000000 ] - [ -0.0004390500000000, 0.0000000000000000, -0.0007294600000000 ] - [ 0.0000267800000000, -0.0000006200000000, -0.0005077000000000 ] - [ 0.0000267800000000, 0.0000006200000000, -0.0005077000000000 ] - [ 0.0006964300000000, 0.0000000000000000, 0.0000991600000000 ] - [ 0.0006280100000000, -0.0000617500000000, -0.0000452100000000 ] - [ 0.0006280100000000, 0.0000617500000000, -0.0000452100000000 ] - [ -0.0003182400000000, 0.0003452000000000, -0.0044033500000000 ] - [ -0.0003182400000000, -0.0003452000000000, -0.0044033500000000 ] - [ 0.0000210400000000, 0.0000000000000000, -0.0011088300000000 ] - [ 0.0010581100000000, -0.0044004400000000, -0.0029103100000000 ] - [ 0.0010581100000000, 0.0044004400000000, -0.0029103100000000 ] - [ -0.0006291500000000, 0.0000000000000000, 0.0004340200000000 ] - [ -0.0022370000000000, 0.0000000000000000, 0.0132991500000000 ] - [ -0.0016284400000000, 0.0035652200000000, 0.0016227600000000 ] - [ -0.0016284400000000, -0.0035652200000000, 0.0016227600000000 ] - [ 0.0001978000000000, 0.0000000000000000, -0.0017113900000000 ] - [ 0.0001365900000000, 0.0000535100000000, -0.0007642000000000 ] - [ 0.0001365900000000, -0.0000535100000000, -0.0007642000000000 ] - [ -0.0002597500000000, 0.0000000000000000, -0.0000895800000000 ] - [ -0.0000585600000000, -0.0000379400000000, -0.0001467200000000 ] - [ -0.0000585600000000, 0.0000379400000000, -0.0001467200000000 ] - [ 0.0001965300000000, 0.0000000000000000, -0.0001151900000000 ] - [ 0.0000408400000000, 0.0002235700000000, -0.0001490800000000 ] - [ 0.0000408400000000, -0.0002235700000000, -0.0001490800000000 ] - [ 0.0021204200000000, 0.0001215400000000, 0.0008781900000000 ] - [ 0.0021204200000000, -0.0001215400000000, 0.0008781900000000 ] - [ 0.0009732800000000, 0.0000000000000000, 0.0005160800000000 ] - [ -0.0001050600000000, -0.0000398700000000, -0.0005212200000000 ] - [ -0.0001050600000000, 0.0000398700000000, -0.0005212200000000 ] - [ 0.0000269800000000, 0.0000000000000000, 0.0000242200000000 ] - [ -0.0138253300000000, -0.0146883900000000, 0.0199371500000000 ] - [ -0.0138253300000000, 0.0146883900000000, 0.0199371500000000 ] - [ 0.0013965900000000, 0.0000000000000000, 0.0002946100000000 ] - [ 0.0004918600000000, -0.0002923800000000, -0.0033452900000000 ] - [ 0.0004918600000000, 0.0002923800000000, -0.0033452900000000 ] - [ 0.0003212200000000, 0.0000000000000000, -0.0017516000000000 ] - [ -0.0018682000000000, 0.0000000000000000, -0.0019489200000000 ] - [ -0.0014138500000000, -0.0006602200000000, 0.0005195700000000 ] - [ -0.0014138500000000, 0.0006602200000000, 0.0005195700000000 ] - [ 0.0055039200000000, 0.0000000000000000, 0.0008095100000000 ] - [ 0.0003863100000000, 0.0013109000000000, 0.0005391700000000 ] - [ 0.0003863100000000, -0.0013109000000000, 0.0005391700000000 ] - [ 0.0019011400000000, 0.0000000000000000, 0.0008470800000000 ] - [ 0.0010539500000000, 0.0002233700000000, -0.0000680100000000 ] - [ 0.0010539500000000, -0.0002233700000000, -0.0000680100000000 ] - [ -0.0000302000000000, 0.0000000000000000, -0.0021673500000000 ] - [ 0.0000568000000000, 0.0000885600000000, -0.0015075700000000 ] - [ 0.0000568000000000, -0.0000885600000000, -0.0015075700000000 ] - [ 0.0007888900000000, 0.0001680400000000, -0.0001026700000000 ] - [ 0.0007888900000000, -0.0001680400000000, -0.0001026700000000 ] - [ 0.0001514000000000, 0.0000000000000000, 0.0004860200000000 ] - [ -0.0055186200000000, -0.0011357100000000, 0.0020884900000000 ] - [ -0.0055186200000000, 0.0011357100000000, 0.0020884900000000 ] - [ 0.0001034800000000, 0.0000000000000000, 0.0019318100000000 ]- atom: 1 displacement: [ 0.0030426590634358, 0.0000000000000000, -0.0095258713944548 ] forces: - [ -0.0468839300000000, 0.0000000000000000, 0.0643159100000000 ] - [ -0.0044575000000000, -0.0074911600000000, 0.0009753700000000 ] - [ -0.0044575000000000, 0.0074911600000000, 0.0009753700000000 ] - [ -0.0008181300000000, 0.0000000000000000, -0.0002749100000000 ] - [ -0.0007673100000000, 0.0002506800000000, -0.0000585900000000 ] - [ -0.0007673100000000, -0.0002506800000000, -0.0000585900000000 ] - [ 0.0002435600000000, 0.0005544000000000, -0.0006505500000000 ] - [ 0.0002435600000000, -0.0005544000000000, -0.0006505500000000 ] - [ 0.0007006200000000, 0.0000000000000000, -0.0003556300000000 ] - [ 0.0018111700000000, -0.0017237200000000, -0.0004582900000000 ] - [ 0.0018111700000000, 0.0017237200000000, -0.0004582900000000 ] - [ 0.0007746400000000, 0.0000000000000000, -0.0001510100000000 ] - [ 0.0013512900000000, 0.0000353700000000, -0.0008652900000000 ] - [ 0.0013512900000000, -0.0000353700000000, -0.0008652900000000 ] - [ 0.0008153500000000, 0.0000000000000000, -0.0002256900000000 ] - [ -0.0044449800000000, -0.0075807600000000, -0.0048440700000000 ] - [ -0.0044449800000000, 0.0075807600000000, -0.0048440700000000 ] - [ 0.0007374400000000, 0.0000000000000000, 0.0010900900000000 ] - [ 0.0015832800000000, 0.0000000000000000, 0.0010760500000000 ] - [ 0.0002182800000000, 0.0005503700000000, 0.0002315600000000 ] - [ 0.0002182800000000, -0.0005503700000000, 0.0002315600000000 ] - [ -0.0008735200000000, 0.0000000000000000, -0.0009253600000000 ] - [ -0.0008016300000000, -0.0000091500000000, -0.0005497100000000 ] - [ -0.0008016300000000, 0.0000091500000000, -0.0005497100000000 ] - [ -0.0062481800000000, 0.0000000000000000, -0.0029078500000000 ] - [ -0.0009723200000000, 0.0003706500000000, 0.0001669300000000 ] - [ -0.0009723200000000, -0.0003706500000000, 0.0001669300000000 ] - [ -0.0002580300000000, 0.0000000000000000, -0.0020356500000000 ] - [ -0.0004281800000000, 0.0001260400000000, -0.0011258000000000 ] - [ -0.0004281800000000, -0.0001260400000000, -0.0011258000000000 ] - [ 0.0028365700000000, 0.0120977600000000, -0.0042791200000000 ] - [ 0.0028365700000000, -0.0120977600000000, -0.0042791200000000 ] - [ 0.0004746400000000, 0.0000000000000000, 0.0001196500000000 ] - [ 0.0005783600000000, -0.0005069400000000, -0.0015831900000000 ] - [ 0.0005783600000000, 0.0005069400000000, -0.0015831900000000 ] - [ 0.0004071900000000, 0.0000000000000000, -0.0000152100000000 ] - [ -0.0007939300000000, 0.0000000000000000, -0.0011930100000000 ] - [ -0.0008739200000000, -0.0005022200000000, -0.0007594200000000 ] - [ -0.0008739200000000, 0.0005022200000000, -0.0007594200000000 ] - [ 0.0117681800000000, 0.0000000000000000, -0.0102113200000000 ] - [ -0.0006031300000000, 0.0012087500000000, 0.0000806000000000 ] - [ -0.0006031300000000, -0.0012087500000000, 0.0000806000000000 ] - [ 0.0052650200000000, -0.0154598700000000, 0.0035900600000000 ] - [ 0.0052650200000000, 0.0154598700000000, 0.0035900600000000 ] - [ -0.0008566900000000, 0.0000000000000000, 0.0006817900000000 ] - [ 0.0008075000000000, 0.0000138300000000, -0.0010499600000000 ] - [ 0.0008075000000000, -0.0000138300000000, -0.0010499600000000 ] - [ 0.0007201900000000, 0.0000000000000000, -0.0007836900000000 ] - [ -0.0005838200000000, -0.0002644500000000, 0.0004482800000000 ] - [ -0.0005838200000000, 0.0002644500000000, 0.0004482800000000 ] - [ -0.0006541100000000, 0.0000000000000000, 0.0003431800000000 ] - [ -0.0010618500000000, -0.0000251500000000, 0.0000465300000000 ] - [ -0.0010618500000000, 0.0000251500000000, 0.0000465300000000 ] - [ -0.0009531500000000, 0.0000000000000000, 0.0001574300000000 ] - [ 0.0012181900000000, 0.0000000000000000, -0.0003988600000000 ] - [ 0.0011324200000000, -0.0001634400000000, -0.0003636000000000 ] - [ 0.0011324200000000, 0.0001634400000000, -0.0003636000000000 ] - [ 0.0002800400000000, 0.0000000000000000, 0.0001446700000000 ] - [ 0.0005081900000000, 0.0011080200000000, 0.0002599300000000 ] - [ 0.0005081900000000, -0.0011080200000000, 0.0002599300000000 ] - [ -0.0005080400000000, 0.0000000000000000, -0.0005826600000000 ] - [ 0.0001501900000000, -0.0000366400000000, -0.0001163600000000 ] - [ 0.0001501900000000, 0.0000366400000000, -0.0001163600000000 ] - [ 0.0026210500000000, 0.0000000000000000, 0.0014133200000000 ] - [ 0.0010213500000000, 0.0001075400000000, 0.0003660300000000 ] - [ 0.0010213500000000, -0.0001075400000000, 0.0003660300000000 ] - [ 0.0023992200000000, 0.0010642900000000, 0.0031904900000000 ] - [ 0.0023992200000000, -0.0010642900000000, 0.0031904900000000 ] - [ 0.0007081200000000, 0.0000000000000000, 0.0007888100000000 ] - [ -0.0006677000000000, -0.0000120900000000, -0.0007336500000000 ] - [ -0.0006677000000000, 0.0000120900000000, -0.0007336500000000 ] - [ -0.0006202300000000, 0.0000000000000000, -0.0003946500000000 ] - [ 0.0000674900000000, 0.0000872900000000, -0.0008278400000000 ] - [ 0.0000674900000000, -0.0000872900000000, -0.0008278400000000 ] - [ -0.0002484100000000, 0.0000000000000000, -0.0005599400000000 ] - [ -0.0007417700000000, -0.0000155900000000, -0.0010177700000000 ] - [ -0.0007417700000000, 0.0000155900000000, -0.0010177700000000 ] - [ -0.0005228600000000, 0.0000000000000000, -0.0004258200000000 ] - [ 0.0004632500000000, 0.0000000000000000, 0.0014519100000000 ] - [ 0.0005147200000000, 0.0000172300000000, 0.0009926000000000 ] - [ 0.0005147200000000, -0.0000172300000000, 0.0009926000000000 ] - [ 0.0005072800000000, 0.0000000000000000, -0.0003387400000000 ] - [ 0.0004977600000000, 0.0000505500000000, 0.0000970100000000 ] - [ 0.0004977600000000, -0.0000505500000000, 0.0000970100000000 ] - [ -0.0004353200000000, 0.0000191200000000, 0.0001257700000000 ] - [ -0.0004353200000000, -0.0000191200000000, 0.0001257700000000 ] - [ -0.0004683700000000, 0.0000000000000000, 0.0001903200000000 ] - [ -0.0007745000000000, -0.0002629700000000, 0.0009276800000000 ] - [ -0.0007745000000000, 0.0002629700000000, 0.0009276800000000 ] - [ -0.0004287900000000, 0.0000000000000000, 0.0004551000000000 ] - [ 0.0015706600000000, 0.0000000000000000, 0.0002192900000000 ] - [ 0.0011027300000000, 0.0000014200000000, -0.0000036600000000 ] - [ 0.0011027300000000, -0.0000014200000000, -0.0000036600000000 ] - [ 0.0004314100000000, 0.0000000000000000, -0.0006120300000000 ] - [ 0.0005006900000000, 0.0000624700000000, -0.0004669600000000 ] - [ 0.0005006900000000, -0.0000624700000000, -0.0004669600000000 ] - [ 0.0001950600000000, -0.0003496700000000, 0.0039057700000000 ] - [ 0.0001950600000000, 0.0003496700000000, 0.0039057700000000 ] - [ -0.0001380900000000, 0.0000000000000000, 0.0006347600000000 ] - [ -0.0011777600000000, 0.0044421000000000, 0.0024092800000000 ] - [ -0.0011777600000000, -0.0044421000000000, 0.0024092800000000 ] - [ 0.0005130600000000, 0.0000000000000000, -0.0009243000000000 ] - [ 0.0027330700000000, 0.0000000000000000, -0.0127971600000000 ] - [ 0.0017608200000000, -0.0035461400000000, -0.0011311000000000 ] - [ 0.0017608200000000, 0.0035461400000000, -0.0011311000000000 ] - [ -0.0000854200000000, 0.0000000000000000, 0.0022027300000000 ] - [ -0.0000224500000000, -0.0000542200000000, 0.0012451900000000 ] - [ -0.0000224500000000, 0.0000542200000000, 0.0012451900000000 ] - [ 0.0001485700000000, 0.0000000000000000, -0.0003915600000000 ] - [ -0.0000548200000000, 0.0000373400000000, -0.0003331200000000 ] - [ -0.0000548200000000, -0.0000373400000000, -0.0003331200000000 ] - [ -0.0003144900000000, 0.0000000000000000, -0.0003654500000000 ] - [ -0.0001546500000000, -0.0002258400000000, -0.0003333100000000 ] - [ -0.0001546500000000, 0.0002258400000000, -0.0003333100000000 ] - [ -0.0020108800000000, -0.0001177100000000, -0.0003951000000000 ] - [ -0.0020108800000000, 0.0001177100000000, -0.0003951000000000 ] - [ -0.0008620900000000, 0.0000000000000000, -0.0000336600000000 ] - [ 0.0002231600000000, 0.0000402100000000, 0.0010054400000000 ] - [ 0.0002231600000000, -0.0000402100000000, 0.0010054400000000 ] - [ 0.0000892000000000, 0.0000000000000000, 0.0004565600000000 ] - [ 0.0146006100000000, 0.0151921400000000, -0.0218605100000000 ] - [ 0.0146006100000000, -0.0151921400000000, -0.0218605100000000 ] - [ -0.0008910200000000, 0.0000000000000000, -0.0019724200000000 ] - [ 0.0000398200000000, 0.0002959800000000, 0.0016621500000000 ] - [ 0.0000398200000000, -0.0002959800000000, 0.0016621500000000 ] - [ 0.0002118800000000, 0.0000000000000000, 0.0000610500000000 ] - [ 0.0013355300000000, 0.0000000000000000, 0.0036751800000000 ] - [ 0.0008781800000000, 0.0006604800000000, 0.0011765500000000 ] - [ 0.0008781800000000, -0.0006604800000000, 0.0011765500000000 ] - [ -0.0060800900000000, 0.0000000000000000, 0.0008537800000000 ] - [ -0.0009095400000000, -0.0013214600000000, 0.0011409100000000 ] - [ -0.0009095400000000, 0.0013214600000000, 0.0011409100000000 ] - [ -0.0013662100000000, 0.0000000000000000, -0.0025409400000000 ] - [ -0.0005158800000000, -0.0002262000000000, -0.0016176400000000 ] - [ -0.0005158800000000, 0.0002262000000000, -0.0016176400000000 ] - [ 0.0005644600000000, 0.0000000000000000, 0.0004885000000000 ] - [ 0.0004764200000000, -0.0000895200000000, -0.0001769000000000 ] - [ 0.0004764200000000, 0.0000895200000000, -0.0001769000000000 ] - [ -0.0013151700000000, -0.0001659900000000, 0.0017899500000000 ] - [ -0.0013151700000000, 0.0001659900000000, 0.0017899500000000 ] - [ -0.0006835200000000, 0.0000000000000000, 0.0012040000000000 ] - [ 0.0050061800000000, 0.0011401100000000, -0.0004089700000000 ] - [ 0.0050061800000000, -0.0011401100000000, -0.0004089700000000 ] - [ -0.0006433400000000, 0.0000000000000000, -0.0002537800000000 ]- atom: 13 displacement: [ 0.0099999992707097, 0.0000000000000000, -0.0000038191367309 ] forces: - [ -0.0008400900000000, 0.0025447600000000, -0.0005534800000000 ] - [ -0.0008513400000000, 0.0000000000000000, 0.0000073500000000 ] - [ -0.0008400900000000, -0.0025447600000000, -0.0005534800000000 ] - [ -0.0044602000000000, 0.0064623700000000, 0.0043260700000000 ] - [ -0.0012630800000000, 0.0000000000000000, -0.0000308100000000 ] - [ -0.0044602000000000, -0.0064623700000000, 0.0043260700000000 ] - [ 0.0056773300000000, 0.0000000000000000, -0.0009856400000000 ] - [ 0.0025181400000000, 0.0029452300000000, -0.0005647000000000 ] - [ 0.0025181400000000, -0.0029452300000000, -0.0005647000000000 ] - [ 0.0014815700000000, 0.0000000000000000, 0.0002519500000000 ] - [ 0.0011008000000000, 0.0005322500000000, 0.0000549400000000 ] - [ 0.0011008000000000, -0.0005322500000000, 0.0000549400000000 ] - [ -0.3508154700000000, 0.0000000000000000, -0.0325604400000000 ] - [ -0.0045432300000000, 0.0006437100000000, -0.0017580500000000 ] - [ -0.0045432300000000, -0.0006437100000000, -0.0017580500000000 ] - [ -0.0016753500000000, 0.0000000000000000, -0.0022990100000000 ] - [ -0.0004174200000000, 0.0001438100000000, -0.0004458200000000 ] - [ -0.0004174200000000, -0.0001438100000000, -0.0004458200000000 ] - [ 0.0021090300000000, 0.0000009000000000, 0.0011589600000000 ] - [ 0.0008283200000000, 0.0000000000000000, 0.0004850400000000 ] - [ 0.0021090300000000, -0.0000009000000000, 0.0011589600000000 ] - [ 0.0043995200000000, 0.0008555700000000, 0.0017091200000000 ] - [ 0.0006861600000000, 0.0000000000000000, 0.0005052800000000 ] - [ 0.0043995200000000, -0.0008555700000000, 0.0017091200000000 ] - [ 0.0003753600000000, 0.0004140200000000, -0.0020344800000000 ] - [ -0.0001701500000000, 0.0000000000000000, -0.0010511000000000 ] - [ 0.0003753600000000, -0.0004140200000000, -0.0020344800000000 ] - [ -0.0001499300000000, 0.0013803800000000, 0.0030536600000000 ] - [ -0.0003572200000000, 0.0000000000000000, 0.0002787900000000 ] - [ -0.0001499300000000, -0.0013803800000000, 0.0030536600000000 ] - [ 0.0109414100000000, 0.0000000000000000, -0.0248367600000000 ] - [ -0.0001139300000000, 0.0008906400000000, -0.0006859400000000 ] - [ -0.0001139300000000, -0.0008906400000000, -0.0006859400000000 ] - [ -0.0003335600000000, 0.0000000000000000, 0.0058197500000000 ] - [ 0.0000935500000000, 0.0005574400000000, 0.0007331800000000 ] - [ 0.0000935500000000, -0.0005574400000000, 0.0007331800000000 ] - [ 0.0118997900000000, 0.0111889000000000, 0.0000463000000000 ] - [ -0.0010744300000000, 0.0000000000000000, 0.0001689100000000 ] - [ 0.0118997900000000, -0.0111889000000000, 0.0000463000000000 ] - [ -0.0001493400000000, 0.0004472100000000, 0.0004117100000000 ] - [ -0.0003523100000000, 0.0000000000000000, 0.0002728600000000 ] - [ -0.0001493400000000, -0.0004472100000000, 0.0004117100000000 ] - [ 0.0017508700000000, 0.0000000000000000, -0.0010028200000000 ] - [ 0.0008235300000000, 0.0003711600000000, -0.0005031000000000 ] - [ 0.0008235300000000, -0.0003711600000000, -0.0005031000000000 ] - [ 0.0182531900000000, 0.0000000000000000, 0.0255486700000000 ] - [ -0.0002720200000000, 0.0018925300000000, 0.0006870500000000 ] - [ -0.0002720200000000, -0.0018925300000000, 0.0006870500000000 ] - [ 0.0018664200000000, 0.0000000000000000, 0.0022552300000000 ] - [ -0.0006456500000000, -0.0010862200000000, 0.0007685600000000 ] - [ -0.0006456500000000, 0.0010862200000000, 0.0007685600000000 ] - [ 0.0018412200000000, 0.0000000000000000, -0.0010063100000000 ] - [ 0.0001663700000000, -0.0002560300000000, 0.0001172500000000 ] - [ 0.0001663700000000, 0.0002560300000000, 0.0001172500000000 ] - [ 0.0055363600000000, -0.0245785700000000, -0.0018533400000000 ] - [ 0.0023044300000000, 0.0000000000000000, -0.0011314300000000 ] - [ 0.0055363600000000, 0.0245785700000000, -0.0018533400000000 ] - [ 0.0005395800000000, -0.0001772100000000, -0.0002676900000000 ] - [ 0.0006677700000000, 0.0000000000000000, -0.0002748500000000 ] - [ 0.0005395800000000, 0.0001772100000000, -0.0002676900000000 ] - [ 0.0063696500000000, -0.0006347500000000, 0.0016351200000000 ] - [ 0.0026615300000000, 0.0000000000000000, 0.0005959800000000 ] - [ 0.0063696500000000, 0.0006347500000000, 0.0016351200000000 ] - [ 0.0023320800000000, -0.0001075500000000, 0.0018300400000000 ] - [ 0.0014910200000000, 0.0000000000000000, 0.0009666700000000 ] - [ 0.0023320800000000, 0.0001075500000000, 0.0018300400000000 ] - [ -0.0074895200000000, 0.0000000000000000, 0.0000384600000000 ] - [ -0.0024208400000000, -0.0000402800000000, -0.0003884100000000 ] - [ -0.0024208400000000, 0.0000402800000000, -0.0003884100000000 ] - [ 0.0099939400000000, 0.0000000000000000, -0.0259686400000000 ] - [ -0.0035340400000000, -0.0008356400000000, -0.0027527000000000 ] - [ -0.0035340400000000, 0.0008356400000000, -0.0027527000000000 ] - [ -0.0055539200000000, 0.0000000000000000, 0.0273807300000000 ] - [ -0.0010519600000000, -0.0009984800000000, 0.0013944600000000 ] - [ -0.0010519600000000, 0.0009984800000000, 0.0013944600000000 ] - [ 0.0006048800000000, 0.0000000000000000, -0.0040323300000000 ] - [ -0.0005380900000000, -0.0002042500000000, -0.0012605400000000 ] - [ -0.0005380900000000, 0.0002042500000000, -0.0012605400000000 ] - [ 0.0024453200000000, -0.0011192800000000, 0.0039330200000000 ] - [ 0.0010813400000000, 0.0000000000000000, 0.0012644600000000 ] - [ 0.0024453200000000, 0.0011192800000000, 0.0039330200000000 ] - [ 0.0008249600000000, -0.0000825800000000, 0.0007907800000000 ] - [ 0.0006334200000000, 0.0000000000000000, 0.0007224400000000 ] - [ 0.0008249600000000, 0.0000825800000000, 0.0007907800000000 ] - [ 0.0179089400000000, 0.0000000000000000, -0.0115145300000000 ] - [ 0.0010749100000000, -0.0019768900000000, -0.0005956400000000 ] - [ 0.0010749100000000, 0.0019768900000000, -0.0005956400000000 ] - [ -0.0010833600000000, 0.0000000000000000, 0.0010585300000000 ] - [ -0.0009054000000000, -0.0002985400000000, 0.0008507800000000 ] - [ -0.0009054000000000, 0.0002985400000000, 0.0008507800000000 ] - [ 0.0007787800000000, -0.0013390400000000, 0.0020137500000000 ] - [ 0.0004860200000000, 0.0000000000000000, 0.0005292400000000 ] - [ 0.0007787800000000, 0.0013390400000000, 0.0020137500000000 ] - [ 0.0035790900000000, -0.0025180300000000, -0.0028986700000000 ] - [ 0.0013673800000000, 0.0000000000000000, -0.0012165100000000 ] - [ 0.0035790900000000, 0.0025180300000000, -0.0028986700000000 ] - [ 0.0576430900000000, 0.0000000000000000, -0.0055519000000000 ] - [ 0.0029440600000000, -0.0052250200000000, 0.0002938500000000 ] - [ 0.0029440600000000, 0.0052250200000000, 0.0002938500000000 ] - [ 0.0001198300000000, 0.0000000000000000, -0.0008963900000000 ] - [ 0.0001646100000000, -0.0003180700000000, -0.0003484500000000 ] - [ 0.0001646100000000, 0.0003180700000000, -0.0003484500000000 ] - [ -0.0017574800000000, -0.0006699000000000, 0.0012827300000000 ] - [ -0.0007767800000000, 0.0000000000000000, 0.0006255700000000 ] - [ -0.0017574800000000, 0.0006699000000000, 0.0012827300000000 ] - [ -0.0025916600000000, -0.0082350600000000, -0.0047591400000000 ] - [ -0.0003206800000000, 0.0000000000000000, -0.0001364500000000 ] - [ -0.0025916600000000, 0.0082350600000000, -0.0047591400000000 ] - [ -0.0085124900000000, 0.0065331700000000, 0.0003373100000000 ] - [ -0.0024341500000000, 0.0000000000000000, 0.0000075400000000 ] - [ -0.0085124900000000, -0.0065331700000000, 0.0003373100000000 ] - [ -0.0003514700000000, 0.0001194600000000, -0.0016782100000000 ] - [ -0.0002324600000000, 0.0000000000000000, -0.0008583600000000 ] - [ -0.0003514700000000, -0.0001194600000000, -0.0016782100000000 ] - [ 0.0013719600000000, 0.0000000000000000, -0.0123301700000000 ] - [ 0.0010648700000000, 0.0009122600000000, -0.0017052300000000 ] - [ 0.0010648700000000, -0.0009122600000000, -0.0017052300000000 ] - [ -0.0041665700000000, 0.0000000000000000, 0.0078569600000000 ] - [ -0.0000834000000000, 0.0012918100000000, 0.0018906200000000 ] - [ -0.0000834000000000, -0.0012918100000000, 0.0018906200000000 ] - [ 0.0031341100000000, 0.0000000000000000, 0.0125435100000000 ] - [ 0.0020436300000000, -0.0017841100000000, 0.0008005500000000 ] - [ 0.0020436300000000, 0.0017841100000000, 0.0008005500000000 ] - [ 0.0349487400000000, 0.0000000000000000, -0.0206808200000000 ] - [ 0.0051144500000000, -0.0042670600000000, 0.0011537500000000 ] - [ 0.0051144500000000, 0.0042670600000000, 0.0011537500000000 ] - [ -0.0108186000000000, -0.0023773300000000, 0.0013129000000000 ] - [ -0.0020562900000000, 0.0000000000000000, 0.0004261000000000 ] - [ -0.0108186000000000, 0.0023773300000000, 0.0013129000000000 ] - [ -0.0019402800000000, -0.0006934800000000, -0.0030429100000000 ] - [ -0.0013910900000000, 0.0000000000000000, -0.0004701000000000 ] - [ -0.0019402800000000, 0.0006934800000000, -0.0030429100000000 ] - [ -0.0032975900000000, 0.0025149800000000, -0.0057477300000000 ] - [ -0.0013794300000000, 0.0000000000000000, -0.0024991600000000 ] - [ -0.0032975900000000, -0.0025149800000000, -0.0057477300000000 ] - [ -0.0057079000000000, 0.0008555500000000, -0.0016049300000000 ] - [ -0.0016978400000000, 0.0000000000000000, -0.0014091900000000 ] - [ -0.0057079000000000, -0.0008555500000000, -0.0016049300000000 ] - [ 0.1855889100000000, 0.0000000000000000, 0.0573759800000000 ] - [ 0.0049255400000000, 0.0110966000000000, 0.0023078000000000 ] - [ 0.0049255400000000, -0.0110966000000000, 0.0023078000000000 ] - [ 0.0019929200000000, 0.0000000000000000, 0.0035730400000000 ] - [ 0.0009531900000000, 0.0001688500000000, 0.0016472300000000 ] - [ 0.0009531900000000, -0.0001688500000000, 0.0016472300000000 ]- atom: 13 displacement: [ -0.0099999992707097, 0.0000000000000000, 0.0000038191367309 ] forces: - [ -0.0010107500000000, -0.0025429200000000, 0.0010634200000000 ] - [ -0.0010010500000000, 0.0000000000000000, 0.0005032300000000 ] - [ -0.0010107500000000, 0.0025429200000000, 0.0010634200000000 ] - [ 0.0025435700000000, -0.0066128800000000, -0.0038931800000000 ] - [ -0.0006037100000000, 0.0000000000000000, 0.0005471900000000 ] - [ 0.0025435700000000, 0.0066128800000000, -0.0038931800000000 ] - [ -0.0038114800000000, 0.0000000000000000, 0.0004764400000000 ] - [ -0.0006660300000000, -0.0029318000000000, 0.0000539000000000 ] - [ -0.0006660300000000, 0.0029318000000000, 0.0000539000000000 ] - [ 0.0003523100000000, 0.0000000000000000, -0.0007750300000000 ] - [ 0.0007483000000000, -0.0005350600000000, -0.0005709800000000 ] - [ 0.0007483000000000, 0.0005350600000000, -0.0005709800000000 ] - [ 0.3558863500000000, 0.0000000000000000, 0.0374686100000000 ] - [ 0.0056914200000000, -0.0006595300000000, 0.0020790400000000 ] - [ 0.0056914200000000, 0.0006595300000000, 0.0020790400000000 ] - [ 0.0028281700000000, 0.0000000000000000, 0.0025755600000000 ] - [ 0.0015456300000000, -0.0001447800000000, 0.0007414600000000 ] - [ 0.0015456300000000, 0.0001447800000000, 0.0007414600000000 ] - [ -0.0032451600000000, 0.0000003700000000, -0.0014730600000000 ] - [ -0.0019546100000000, 0.0000000000000000, -0.0007924100000000 ] - [ -0.0032451600000000, -0.0000003700000000, -0.0014730600000000 ] - [ -0.0055294100000000, -0.0008561900000000, -0.0020042600000000 ] - [ -0.0018133900000000, 0.0000000000000000, -0.0008025100000000 ] - [ -0.0055294100000000, 0.0008561900000000, -0.0020042600000000 ] - [ -0.0013605400000000, -0.0004124800000000, 0.0010250200000000 ] - [ -0.0008134500000000, 0.0000000000000000, 0.0000472500000000 ] - [ -0.0013605400000000, 0.0004124800000000, 0.0010250200000000 ] - [ -0.0008480200000000, -0.0013803300000000, -0.0040739900000000 ] - [ -0.0006295100000000, 0.0000000000000000, -0.0012864300000000 ] - [ -0.0008480200000000, 0.0013803300000000, -0.0040739900000000 ] - [ -0.0099633400000000, 0.0000000000000000, 0.0257852600000000 ] - [ 0.0010941700000000, -0.0008908900000000, 0.0016899500000000 ] - [ 0.0010941700000000, 0.0008908900000000, 0.0016899500000000 ] - [ 0.0013348900000000, 0.0000000000000000, -0.0051394100000000 ] - [ 0.0008917400000000, -0.0005694800000000, 0.0002540900000000 ] - [ 0.0008917400000000, 0.0005694800000000, 0.0002540900000000 ] - [ -0.0129548700000000, -0.0110813800000000, 0.0004776400000000 ] - [ -0.0000581700000000, 0.0000000000000000, 0.0003514400000000 ] - [ -0.0129548700000000, 0.0110813800000000, 0.0004776400000000 ] - [ -0.0009846100000000, -0.0004584100000000, 0.0000790700000000 ] - [ -0.0007749900000000, 0.0000000000000000, 0.0002304400000000 ] - [ -0.0009846100000000, 0.0004584100000000, 0.0000790700000000 ] - [ -0.0006250100000000, 0.0000000000000000, 0.0004811100000000 ] - [ 0.0003007900000000, -0.0003724100000000, -0.0000148600000000 ] - [ 0.0003007900000000, 0.0003724100000000, -0.0000148600000000 ] - [ -0.0168978200000000, 0.0000000000000000, -0.0256929300000000 ] - [ 0.0013794800000000, -0.0019036600000000, -0.0011860600000000 ] - [ 0.0013794800000000, 0.0019036600000000, -0.0011860600000000 ] - [ -0.0037489800000000, 0.0000000000000000, -0.0017644600000000 ] - [ -0.0012073000000000, 0.0011000700000000, -0.0002605900000000 ] - [ -0.0012073000000000, -0.0011000700000000, -0.0002605900000000 ] - [ -0.0037046900000000, 0.0000000000000000, 0.0015302800000000 ] - [ -0.0020201900000000, 0.0002618900000000, 0.0003967400000000 ] - [ -0.0020201900000000, -0.0002618900000000, 0.0003967400000000 ] - [ -0.0036458800000000, 0.0248303500000000, 0.0013913400000000 ] - [ -0.0004563200000000, 0.0000000000000000, 0.0006294600000000 ] - [ -0.0036458800000000, -0.0248303500000000, 0.0013913400000000 ] - [ 0.0013211700000000, 0.0001759100000000, -0.0002484200000000 ] - [ 0.0011898000000000, 0.0000000000000000, -0.0002384000000000 ] - [ 0.0013211700000000, -0.0001759100000000, -0.0002484200000000 ] - [ -0.0052662200000000, 0.0006431600000000, -0.0013317200000000 ] - [ -0.0015460800000000, 0.0000000000000000, -0.0002945300000000 ] - [ -0.0052662200000000, -0.0006431600000000, -0.0013317200000000 ] - [ -0.0012314400000000, 0.0001086000000000, -0.0015479800000000 ] - [ -0.0003815200000000, 0.0000000000000000, -0.0006739800000000 ] - [ -0.0012314400000000, -0.0001086000000000, -0.0015479800000000 ] - [ 0.0064232100000000, 0.0000000000000000, -0.0003650800000000 ] - [ 0.0013118700000000, 0.0000416800000000, 0.0000881300000000 ] - [ 0.0013118700000000, -0.0000416800000000, 0.0000881300000000 ] - [ -0.0111786200000000, 0.0000000000000000, 0.0260021600000000 ] - [ 0.0024484200000000, 0.0008347500000000, 0.0024750800000000 ] - [ 0.0024484200000000, -0.0008347500000000, 0.0024750800000000 ] - [ 0.0047511300000000, 0.0000000000000000, -0.0288737000000000 ] - [ 0.0000755800000000, 0.0010049600000000, -0.0023991300000000 ] - [ 0.0000755800000000, -0.0010049600000000, -0.0023991300000000 ] - [ -0.0015754800000000, 0.0000000000000000, 0.0030225900000000 ] - [ -0.0004387100000000, 0.0002046200000000, 0.0002542900000000 ] - [ -0.0004387100000000, -0.0002046200000000, 0.0002542900000000 ] - [ -0.0014706100000000, 0.0011308500000000, -0.0029536500000000 ] - [ -0.0000992500000000, 0.0000000000000000, -0.0002688000000000 ] - [ -0.0014706100000000, -0.0011308500000000, -0.0029536500000000 ] - [ 0.0001572200000000, 0.0000834900000000, 0.0002186200000000 ] - [ 0.0003489600000000, 0.0000000000000000, 0.0002803100000000 ] - [ 0.0001572200000000, -0.0000834900000000, 0.0002186200000000 ] - [ -0.0192871800000000, 0.0000000000000000, 0.0121770400000000 ] - [ -0.0021996400000000, 0.0019861200000000, 0.0011147000000000 ] - [ -0.0021996400000000, -0.0019861200000000, 0.0011147000000000 ] - [ -0.0000346200000000, 0.0000000000000000, -0.0005587200000000 ] - [ -0.0002142100000000, 0.0003018500000000, -0.0003453000000000 ] - [ -0.0002142100000000, -0.0003018500000000, -0.0003453000000000 ] - [ 0.0003418800000000, 0.0013565300000000, -0.0025471100000000 ] - [ 0.0006388000000000, 0.0000000000000000, -0.0010449700000000 ] - [ 0.0003418800000000, -0.0013565300000000, -0.0025471100000000 ] - [ -0.0024484800000000, 0.0025307700000000, 0.0024080200000000 ] - [ -0.0002380300000000, 0.0000000000000000, 0.0007117500000000 ] - [ -0.0024484800000000, -0.0025307700000000, 0.0024080200000000 ] - [ -0.0514347600000000, 0.0000000000000000, 0.0040517800000000 ] - [ -0.0030400700000000, 0.0052258400000000, -0.0007761600000000 ] - [ -0.0030400700000000, -0.0052258400000000, -0.0007761600000000 ] - [ -0.0002176000000000, 0.0000000000000000, 0.0005154800000000 ] - [ -0.0002781900000000, 0.0003247800000000, -0.0001029800000000 ] - [ -0.0002781900000000, -0.0003247800000000, -0.0001029800000000 ] - [ 0.0018780100000000, 0.0006702000000000, -0.0007950200000000 ] - [ 0.0008936700000000, 0.0000000000000000, -0.0001477100000000 ] - [ 0.0018780100000000, -0.0006702000000000, -0.0007950200000000 ] - [ 0.0027616100000000, 0.0082342600000000, 0.0052129100000000 ] - [ 0.0004512500000000, 0.0000000000000000, 0.0006053700000000 ] - [ 0.0027616100000000, -0.0082342600000000, 0.0052129100000000 ] - [ 0.0084270500000000, -0.0065944800000000, -0.0008224000000000 ] - [ 0.0023249600000000, 0.0000000000000000, -0.0004830800000000 ] - [ 0.0084270500000000, 0.0065944800000000, -0.0008224000000000 ] - [ 0.0002398100000000, -0.0001208200000000, 0.0012186900000000 ] - [ 0.0001211700000000, 0.0000000000000000, 0.0003908700000000 ] - [ 0.0002398100000000, 0.0001208200000000, 0.0012186900000000 ] - [ -0.0012521000000000, 0.0000000000000000, 0.0129490700000000 ] - [ -0.0009592800000000, -0.0009235200000000, 0.0021840100000000 ] - [ -0.0009592800000000, 0.0009235200000000, 0.0021840100000000 ] - [ 0.0042154100000000, 0.0000000000000000, -0.0074460400000000 ] - [ 0.0001796700000000, -0.0012961200000000, -0.0014286500000000 ] - [ 0.0001796700000000, 0.0012961200000000, -0.0014286500000000 ] - [ -0.0026337100000000, 0.0000000000000000, -0.0142540900000000 ] - [ -0.0015151000000000, 0.0017837800000000, -0.0024861100000000 ] - [ -0.0015151000000000, -0.0017837800000000, -0.0024861100000000 ] - [ -0.0342493500000000, 0.0000000000000000, 0.0195096800000000 ] - [ -0.0046107500000000, 0.0043699200000000, -0.0028482400000000 ] - [ -0.0046107500000000, -0.0043699200000000, -0.0028482400000000 ] - [ 0.0102937500000000, 0.0023654800000000, 0.0003767700000000 ] - [ 0.0015334700000000, 0.0000000000000000, 0.0012582800000000 ] - [ 0.0102937500000000, -0.0023654800000000, 0.0003767700000000 ] - [ 0.0014391100000000, 0.0007045600000000, 0.0047647000000000 ] - [ 0.0008721500000000, 0.0000000000000000, 0.0021714900000000 ] - [ 0.0014391100000000, -0.0007045600000000, 0.0047647000000000 ] - [ 0.0038605500000000, -0.0025447800000000, 0.0041045500000000 ] - [ 0.0019232100000000, 0.0000000000000000, 0.0008239600000000 ] - [ 0.0038605500000000, 0.0025447800000000, 0.0041045500000000 ] - [ 0.0062502000000000, -0.0008658900000000, -0.0000954200000000 ] - [ 0.0022367300000000, 0.0000000000000000, -0.0002813800000000 ] - [ 0.0062502000000000, 0.0008658900000000, -0.0000954200000000 ] - [ -0.1968143500000000, 0.0000000000000000, -0.0597681300000000 ] - [ -0.0055174900000000, -0.0111473200000000, -0.0006523700000000 ] - [ -0.0055174900000000, 0.0111473200000000, -0.0006523700000000 ] - [ -0.0025609000000000, 0.0000000000000000, -0.0018646500000000 ] - [ -0.0015008200000000, -0.0001691800000000, 0.0000457200000000 ] - [ -0.0015008200000000, 0.0001691800000000, 0.0000457200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009658300000000, -0.0004775300000000, 0.0002067500000000 ] - [ -0.0009276100000000, 0.0008112500000000, 0.0002560900000000 ] - [ -0.0008886800000000, -0.0004687700000000, 0.0003054000000000 ] - [ 0.0004512600000000, 0.0061080500000000, 0.0086677200000000 ] - [ -0.0009250600000000, 0.0032172500000000, 0.0002579100000000 ] - [ -0.0022691600000000, 0.0060172500000000, -0.0080166100000000 ] - [ 0.0009243600000000, -0.0024268800000000, -0.0002549100000000 ] - [ 0.0018663400000000, 0.0016570700000000, -0.0005363800000000 ] - [ -0.0000069300000000, 0.0016558700000000, 0.0000220600000000 ] - [ 0.0009245400000000, -0.0006367700000000, -0.0002579400000000 ] - [ 0.0010963000000000, 0.0003131200000000, -0.0001929800000000 ] - [ 0.0007600800000000, 0.0003174600000000, -0.0003194900000000 ] - [ 0.0002142800000000, -0.0452163600000000, 0.0000177900000000 ] - [ -0.0000983500000000, 0.0014903200000000, 0.0000785800000000 ] - [ 0.0012053200000000, 0.0014822800000000, 0.0002170300000000 ] - [ 0.0005597000000000, -0.0001917400000000, 0.0001479100000000 ] - [ 0.0004121800000000, 0.0000588800000000, 0.0001430300000000 ] - [ 0.0007015600000000, 0.0000602400000000, 0.0001548300000000 ] - [ -0.0005565900000000, -0.0000596700000000, -0.0002100500000000 ] - [ -0.0005573100000000, 0.0001116700000000, -0.0001498600000000 ] - [ -0.0005560900000000, -0.0000585400000000, -0.0000878900000000 ] - [ 0.0003007000000000, -0.0002408200000000, 0.0004673800000000 ] - [ -0.0005553400000000, 0.0003085400000000, -0.0001483700000000 ] - [ -0.0014124700000000, -0.0002345600000000, -0.0007579100000000 ] - [ -0.0004621900000000, -0.0001240500000000, -0.0011858300000000 ] - [ -0.0004909600000000, 0.0002528800000000, -0.0005015700000000 ] - [ -0.0005202800000000, -0.0001224800000000, 0.0001809000000000 ] - [ -0.0001189900000000, -0.0002903300000000, 0.0001543700000000 ] - [ -0.0004903300000000, 0.0003178000000000, -0.0004967000000000 ] - [ -0.0008602400000000, -0.0002804300000000, -0.0011598900000000 ] - [ 0.0004707800000000, -0.0037493100000000, 0.0005297300000000 ] - [ 0.0007297300000000, 0.0005029000000000, -0.0005515200000000 ] - [ 0.0002543000000000, 0.0005020800000000, 0.0015445600000000 ] - [ 0.0004886600000000, 0.0005283200000000, 0.0004526400000000 ] - [ 0.0002944400000000, 0.0007319800000000, 0.0017959700000000 ] - [ 0.0006834000000000, 0.0007281700000000, -0.0007757400000000 ] - [ 0.0082567100000000, 0.0038037600000000, 0.0005456400000000 ] - [ -0.0005591700000000, 0.0010280000000000, 0.0002536400000000 ] - [ -0.0092687400000000, 0.0037659000000000, -0.0000305300000000 ] - [ -0.0005070400000000, -0.0001200100000000, 0.0004808200000000 ] - [ -0.0005610500000000, 0.0003933000000000, 0.0002554500000000 ] - [ -0.0006175300000000, -0.0001139800000000, 0.0000258500000000 ] - [ 0.0005597200000000, -0.0003493800000000, -0.0002549500000000 ] - [ 0.0006213700000000, 0.0001881600000000, -0.0003100600000000 ] - [ 0.0005012600000000, 0.0001907600000000, -0.0002002000000000 ] - [ 0.0005096800000000, -0.0065782300000000, -0.0003042600000000 ] - [ 0.0009045300000000, 0.0013224600000000, 0.0000868800000000 ] - [ 0.0002237800000000, 0.0013218300000000, -0.0005953700000000 ] - [ -0.0009245600000000, -0.0005611000000000, 0.0002574500000000 ] - [ -0.0010564400000000, 0.0003056200000000, 0.0001762600000000 ] - [ -0.0007985300000000, 0.0003082800000000, 0.0003355200000000 ] - [ -0.0009235600000000, -0.0007748500000000, 0.0002540500000000 ] - [ -0.0010211400000000, 0.0003832100000000, 0.0003394500000000 ] - [ -0.0008340000000000, 0.0003890500000000, 0.0001747600000000 ] - [ -0.0068551500000000, 0.0008103600000000, -0.0016163600000000 ] - [ 0.0009268200000000, 0.0028302100000000, -0.0002563800000000 ] - [ 0.0086129900000000, 0.0008153700000000, 0.0010937600000000 ] - [ 0.0009619000000000, -0.0002131800000000, -0.0002587800000000 ] - [ 0.0009273500000000, 0.0004260600000000, -0.0002568000000000 ] - [ 0.0008928400000000, -0.0002064400000000, -0.0002553100000000 ] - [ 0.0012016300000000, -0.0000980800000000, 0.0007234400000000 ] - [ 0.0005580100000000, 0.0002689800000000, 0.0001507100000000 ] - [ -0.0000766700000000, -0.0000929700000000, -0.0004207200000000 ] - [ 0.0006664700000000, -0.0000471100000000, 0.0001643100000000 ] - [ 0.0005576400000000, 0.0000942300000000, 0.0001498800000000 ] - [ 0.0004471400000000, -0.0000460500000000, 0.0001317500000000 ] - [ -0.0005544400000000, -0.0002952200000000, -0.0001450000000000 ] - [ -0.0005972900000000, 0.0000828800000000, -0.0003482700000000 ] - [ -0.0005165400000000, 0.0000837100000000, 0.0000491300000000 ] - [ -0.0005268600000000, -0.0057558800000000, -0.0001724700000000 ] - [ -0.0013970700000000, 0.0004319000000000, -0.0000344500000000 ] - [ 0.0002709500000000, 0.0004347300000000, -0.0002651200000000 ] - [ -0.0004964000000000, -0.0023376900000000, -0.0004844100000000 ] - [ -0.0006516800000000, 0.0004587000000000, -0.0012354900000000 ] - [ -0.0003315000000000, 0.0004580600000000, 0.0002274100000000 ] - [ -0.0004882700000000, -0.0000729100000000, -0.0005044900000000 ] - [ -0.0006257700000000, 0.0000809300000000, -0.0002877600000000 ] - [ -0.0003574100000000, 0.0000827300000000, -0.0007145300000000 ] - [ 0.0001758800000000, -0.0001378600000000, -0.0003369700000000 ] - [ 0.0004907800000000, 0.0002373900000000, 0.0004967700000000 ] - [ 0.0008042800000000, -0.0001331100000000, 0.0013364900000000 ] - [ 0.0005278600000000, -0.0000549000000000, 0.0007090400000000 ] - [ 0.0004912500000000, 0.0001078500000000, 0.0005005500000000 ] - [ 0.0004542100000000, -0.0000530400000000, 0.0002931700000000 ] - [ -0.0005209100000000, -0.0001802800000000, 0.0002300000000000 ] - [ -0.0011347200000000, 0.0009547300000000, 0.0005048500000000 ] - [ 0.0000061100000000, 0.0009540500000000, 0.0000077700000000 ] - [ -0.0005605200000000, -0.0002137400000000, 0.0002537500000000 ] - [ -0.0005998100000000, 0.0001014300000000, 0.0002442700000000 ] - [ -0.0005227500000000, 0.0001040300000000, 0.0002638700000000 ] - [ 0.0005643300000000, -0.0002015700000000, -0.0003502000000000 ] - [ 0.0005599700000000, 0.0003346900000000, -0.0002555900000000 ] - [ 0.0005588500000000, -0.0001973800000000, -0.0001597200000000 ] - [ 0.0004604600000000, -0.0002977500000000, 0.0001165100000000 ] - [ 0.0005603000000000, 0.0005861700000000, -0.0002529100000000 ] - [ 0.0006644200000000, -0.0002838900000000, -0.0006275300000000 ] - [ -0.0002827100000000, 0.0156466400000000, -0.0002220100000000 ] - [ -0.0008341900000000, -0.0029856300000000, 0.0002938500000000 ] - [ 0.0007110500000000, -0.0029765000000000, -0.0007609500000000 ] - [ -0.0000537900000000, 0.0008544200000000, -0.0002253600000000 ] - [ -0.0001654100000000, -0.0002491200000000, -0.0008983500000000 ] - [ 0.0000511200000000, -0.0002529600000000, 0.0004186500000000 ] - [ 0.0001134300000000, 0.0001816900000000, 0.0005041600000000 ] - [ 0.0000563400000000, -0.0003456800000000, 0.0002362100000000 ] - [ -0.0000008600000000, 0.0001781700000000, -0.0000287600000000 ] - [ -0.0022967000000000, 0.0008990200000000, -0.0020632400000000 ] - [ 0.0000529900000000, -0.0015120800000000, 0.0002347000000000 ] - [ 0.0023936800000000, 0.0008526300000000, 0.0025231600000000 ] - [ 0.0016426000000000, 0.0005995300000000, -0.0004710100000000 ] - [ -0.0000547700000000, -0.0010656600000000, -0.0002355900000000 ] - [ -0.0017488000000000, 0.0005622200000000, -0.0000086700000000 ] - [ -0.0001594700000000, 0.0001053300000000, -0.0002596700000000 ] - [ -0.0000568000000000, -0.0002122200000000, -0.0002354600000000 ] - [ 0.0000465600000000, 0.0001021800000000, -0.0002109400000000 ] - [ 0.0000541700000000, 0.0004089900000000, 0.0002306200000000 ] - [ 0.0002495200000000, -0.0002106500000000, 0.0008612500000000 ] - [ -0.0001354600000000, -0.0002132700000000, -0.0003836100000000 ] - [ 0.0000515400000000, 0.0004316900000000, 0.0002483800000000 ] - [ 0.0007159100000000, -0.0003853700000000, -0.0001926000000000 ] - [ -0.0005952200000000, -0.0003915200000000, 0.0006595300000000 ] - [ 0.0002669000000000, 0.0012710100000000, -0.0008512400000000 ] - [ -0.0000422100000000, -0.0004874300000000, 0.0001303900000000 ] - [ 0.0005720400000000, -0.0004938000000000, -0.0018094400000000 ] - [ 0.0002630700000000, 0.0130124300000000, -0.0009422600000000 ] - [ 0.0012215300000000, -0.0062148500000000, -0.0022422900000000 ] - [ -0.0006757500000000, -0.0061855900000000, 0.0005426300000000 ] - [ -0.0036069700000000, 0.0012065500000000, 0.0014634100000000 ] - [ -0.0002686900000000, -0.0020392800000000, 0.0008440100000000 ] - [ 0.0030539700000000, 0.0011950000000000, 0.0002217100000000 ] - [ -0.0003647200000000, 0.0003844900000000, 0.0003259800000000 ] - [ -0.0002668400000000, -0.0007107100000000, 0.0008404900000000 ] - [ -0.0001656300000000, 0.0003743700000000, 0.0013639600000000 ] - [ 0.0001700900000000, 0.0003420300000000, -0.0002763900000000 ] - [ 0.0002669700000000, -0.0006672000000000, -0.0008420700000000 ] - [ 0.0003606400000000, 0.0003351100000000, -0.0014087800000000 ] - [ -0.0000376700000000, 0.0003553500000000, -0.0012930400000000 ] - [ 0.0002652600000000, -0.0007096100000000, -0.0008458600000000 ] - [ 0.0005641700000000, 0.0003446400000000, -0.0003942200000000 ] - [ 0.0002767700000000, 0.0213140900000000, 0.0010372700000000 ] - [ 0.0014850200000000, -0.0049759600000000, 0.0014645600000000 ] - [ -0.0020021900000000, -0.0049643900000000, 0.0002277600000000 ] - [ -0.0002700000000000, 0.0004019400000000, 0.0008449600000000 ] - [ -0.0000039400000000, -0.0002115600000000, 0.0008252500000000 ] - [ -0.0005260100000000, -0.0002165500000000, 0.0008633400000000 ]- atom: 13 displacement: [ -0.0030426590634358, 0.0000000000000000, 0.0095258713944548 ] forces: - [ -0.0017529000000000, -0.0028098900000000, 0.0012625600000000 ] - [ -0.0013820800000000, 0.0000000000000000, 0.0005673100000000 ] - [ -0.0017529000000000, 0.0028098900000000, 0.0012625600000000 ] - [ 0.0025318600000000, 0.0133591200000000, 0.0047475700000000 ] - [ 0.0001550500000000, 0.0000000000000000, -0.0002833200000000 ] - [ 0.0025318600000000, -0.0133591200000000, 0.0047475700000000 ] - [ -0.0001925100000000, 0.0000000000000000, -0.0011480600000000 ] - [ 0.0007657100000000, -0.0010378100000000, -0.0004380500000000 ] - [ 0.0007657100000000, 0.0010378100000000, -0.0004380500000000 ] - [ 0.0022401300000000, 0.0000000000000000, 0.0008360100000000 ] - [ 0.0010366900000000, 0.0005646700000000, 0.0001014300000000 ] - [ 0.0010366900000000, -0.0005646700000000, 0.0001014300000000 ] - [ 0.0738773400000000, 0.0000000000000000, -0.1011446600000000 ] - [ 0.0002779100000000, -0.0001340700000000, -0.0016731800000000 ] - [ 0.0002779100000000, 0.0001340700000000, -0.0016731800000000 ] - [ -0.0010901000000000, 0.0000000000000000, 0.0041532000000000 ] - [ 0.0002905100000000, -0.0000375200000000, 0.0009614100000000 ] - [ 0.0002905100000000, 0.0000375200000000, 0.0009614100000000 ] - [ -0.0001121400000000, -0.0000573400000000, 0.0008879900000000 ] - [ -0.0003699600000000, 0.0000000000000000, 0.0003367200000000 ] - [ -0.0001121400000000, 0.0000573400000000, 0.0008879900000000 ] - [ -0.0003002200000000, 0.0003220600000000, -0.0012572200000000 ] - [ -0.0003144200000000, 0.0000000000000000, -0.0005237800000000 ] - [ -0.0003002200000000, -0.0003220600000000, -0.0012572200000000 ] - [ -0.0009008800000000, -0.0003037800000000, -0.0005638300000000 ] - [ -0.0005889900000000, 0.0000000000000000, -0.0005165300000000 ] - [ -0.0009008800000000, 0.0003037800000000, -0.0005638300000000 ] - [ 0.0004511700000000, 0.0004992900000000, 0.0011590000000000 ] - [ -0.0002328800000000, 0.0000000000000000, -0.0001203000000000 ] - [ 0.0004511700000000, -0.0004992900000000, 0.0011590000000000 ] - [ -0.0151518400000000, 0.0000000000000000, 0.0240504900000000 ] - [ 0.0004325400000000, -0.0005486300000000, 0.0007076500000000 ] - [ 0.0004325400000000, 0.0005486300000000, 0.0007076500000000 ] - [ 0.0001267400000000, 0.0000000000000000, 0.0280660500000000 ] - [ 0.0002576700000000, 0.0008674600000000, 0.0016253200000000 ] - [ 0.0002576700000000, -0.0008674600000000, 0.0016253200000000 ] - [ -0.0043261800000000, -0.0030422000000000, -0.0029327300000000 ] - [ -0.0001901600000000, 0.0000000000000000, -0.0005865600000000 ] - [ -0.0043261800000000, 0.0030422000000000, -0.0029327300000000 ] - [ -0.0004238500000000, 0.0008796600000000, 0.0023021900000000 ] - [ -0.0006859300000000, 0.0000000000000000, 0.0010224900000000 ] - [ -0.0004238500000000, -0.0008796600000000, 0.0023021900000000 ] - [ -0.0011956700000000, 0.0000000000000000, 0.0014624900000000 ] - [ 0.0000212200000000, -0.0001300800000000, 0.0004965000000000 ] - [ 0.0000212200000000, 0.0001300800000000, 0.0004965000000000 ] - [ 0.0121527000000000, 0.0000000000000000, 0.0009758900000000 ] - [ 0.0018233000000000, 0.0004858400000000, -0.0015617700000000 ] - [ 0.0018233000000000, -0.0004858400000000, -0.0015617700000000 ] - [ -0.0000714000000000, 0.0000000000000000, 0.0009208400000000 ] - [ -0.0008214700000000, -0.0003390300000000, 0.0004258900000000 ] - [ -0.0008214700000000, 0.0003390300000000, 0.0004258900000000 ] - [ -0.0008700100000000, 0.0000000000000000, -0.0003349200000000 ] - [ -0.0010418100000000, 0.0000509300000000, 0.0001497300000000 ] - [ -0.0010418100000000, -0.0000509300000000, 0.0001497300000000 ] - [ 0.0013742800000000, -0.0030282200000000, -0.0025277400000000 ] - [ 0.0011360100000000, 0.0000000000000000, -0.0007266400000000 ] - [ 0.0013742800000000, 0.0030282200000000, -0.0025277400000000 ] - [ 0.0007506900000000, 0.0001459000000000, 0.0002387200000000 ] - [ 0.0008584100000000, 0.0000000000000000, -0.0000513300000000 ] - [ 0.0007506900000000, -0.0001459000000000, 0.0002387200000000 ] - [ 0.0002062100000000, -0.0003537200000000, -0.0006772800000000 ] - [ 0.0003450500000000, 0.0000000000000000, -0.0001308400000000 ] - [ 0.0002062100000000, 0.0003537200000000, -0.0006772800000000 ] - [ 0.0016307800000000, 0.0000187000000000, 0.0010223800000000 ] - [ 0.0010574100000000, 0.0000000000000000, 0.0005502600000000 ] - [ 0.0016307800000000, -0.0000187000000000, 0.0010223800000000 ] - [ 0.0017400300000000, 0.0000000000000000, 0.0032759700000000 ] - [ -0.0002193000000000, -0.0001768000000000, 0.0004135100000000 ] - [ -0.0002193000000000, 0.0001768000000000, 0.0004135100000000 ] - [ -0.0288352000000000, 0.0000000000000000, 0.0103420300000000 ] - [ -0.0021509200000000, 0.0003624700000000, -0.0013259300000000 ] - [ -0.0021509200000000, -0.0003624700000000, -0.0013259300000000 ] - [ 0.0117697600000000, 0.0000000000000000, 0.0004680600000000 ] - [ -0.0002630300000000, -0.0003077600000000, -0.0010395500000000 ] - [ -0.0002630300000000, 0.0003077600000000, -0.0010395500000000 ] - [ -0.0024361900000000, 0.0000000000000000, 0.0032196300000000 ] - [ -0.0007645200000000, 0.0000801900000000, 0.0001034800000000 ] - [ -0.0007645200000000, -0.0000801900000000, 0.0001034800000000 ] - [ 0.0006441200000000, -0.0003651000000000, 0.0012019100000000 ] - [ 0.0004986700000000, 0.0000000000000000, 0.0006244900000000 ] - [ 0.0006441200000000, 0.0003651000000000, 0.0012019100000000 ] - [ 0.0005703900000000, 0.0000044600000000, 0.0003183700000000 ] - [ 0.0005469900000000, 0.0000000000000000, 0.0004623200000000 ] - [ 0.0005703900000000, -0.0000044600000000, 0.0003183700000000 ] - [ 0.0055056800000000, 0.0000000000000000, -0.0035760100000000 ] - [ -0.0005730300000000, -0.0002528000000000, -0.0002078700000000 ] - [ -0.0005730300000000, 0.0002528000000000, -0.0002078700000000 ] - [ -0.0005250500000000, 0.0000000000000000, 0.0009951800000000 ] - [ -0.0005405400000000, -0.0000816700000000, 0.0005680700000000 ] - [ -0.0005405400000000, 0.0000816700000000, 0.0005680700000000 ] - [ 0.0010759000000000, -0.0005300000000000, 0.0004828900000000 ] - [ 0.0007079000000000, 0.0000000000000000, -0.0000524500000000 ] - [ 0.0010759000000000, 0.0005300000000000, 0.0004828900000000 ] - [ -0.0006635900000000, 0.0003289300000000, -0.0011788200000000 ] - [ 0.0002783500000000, 0.0000000000000000, -0.0004899900000000 ] - [ -0.0006635900000000, -0.0003289300000000, -0.0011788200000000 ] - [ -0.0245287600000000, 0.0000000000000000, 0.0171467000000000 ] - [ -0.0005080700000000, 0.0016665000000000, 0.0012267200000000 ] - [ -0.0005080700000000, -0.0016665000000000, 0.0012267200000000 ] - [ -0.0003277200000000, 0.0000000000000000, -0.0086130900000000 ] - [ 0.0003348200000000, -0.0005401900000000, -0.0019481700000000 ] - [ 0.0003348200000000, 0.0005401900000000, -0.0019481700000000 ] - [ 0.0011552300000000, 0.0006515700000000, -0.0014331500000000 ] - [ 0.0004380900000000, 0.0000000000000000, -0.0003802000000000 ] - [ 0.0011552300000000, -0.0006515700000000, -0.0014331500000000 ] - [ -0.0036089300000000, -0.0023770900000000, 0.0029763300000000 ] - [ -0.0009387800000000, 0.0000000000000000, 0.0007454500000000 ] - [ -0.0036089300000000, 0.0023770900000000, 0.0029763300000000 ] - [ -0.0003392600000000, 0.0018641200000000, 0.0003821900000000 ] - [ 0.0000172300000000, 0.0000000000000000, 0.0000358000000000 ] - [ -0.0003392600000000, -0.0018641200000000, 0.0003821900000000 ] - [ -0.0004303000000000, 0.0000572100000000, -0.0008566800000000 ] - [ -0.0002936500000000, 0.0000000000000000, -0.0004766000000000 ] - [ -0.0004303000000000, -0.0000572100000000, -0.0008566800000000 ] - [ -0.0017220000000000, 0.0000000000000000, -0.0029708700000000 ] - [ -0.0002395000000000, 0.0004258700000000, -0.0001112300000000 ] - [ -0.0002395000000000, -0.0004258700000000, -0.0001112300000000 ] - [ 0.0081575300000000, 0.0000000000000000, 0.0028327800000000 ] - [ 0.0010441900000000, -0.0002624400000000, 0.0004606300000000 ] - [ 0.0010441900000000, 0.0002624400000000, 0.0004606300000000 ] - [ 0.0023522400000000, 0.0000000000000000, -0.0151133300000000 ] - [ 0.0003344500000000, 0.0019690500000000, -0.0021889900000000 ] - [ 0.0003344500000000, -0.0019690500000000, -0.0021889900000000 ] - [ -0.0087174800000000, 0.0000000000000000, 0.0018076000000000 ] - [ 0.0015918500000000, -0.0068099300000000, 0.0007989100000000 ] - [ 0.0015918500000000, 0.0068099300000000, 0.0007989100000000 ] - [ 0.0017348800000000, 0.0009232900000000, 0.0020789500000000 ] - [ -0.0002679500000000, 0.0000000000000000, 0.0014852300000000 ] - [ 0.0017348800000000, -0.0009232900000000, 0.0020789500000000 ] - [ -0.0018715200000000, -0.0011908900000000, -0.0019529500000000 ] - [ -0.0008560200000000, 0.0000000000000000, -0.0001824200000000 ] - [ -0.0018715200000000, 0.0011908900000000, -0.0019529500000000 ] - [ -0.0007418600000000, 0.0007789100000000, -0.0024764100000000 ] - [ -0.0001073900000000, 0.0000000000000000, -0.0014319200000000 ] - [ -0.0007418600000000, -0.0007789100000000, -0.0024764100000000 ] - [ 0.0004867400000000, 0.0001842200000000, 0.0000673900000000 ] - [ 0.0002894200000000, 0.0000000000000000, -0.0004659400000000 ] - [ 0.0004867400000000, -0.0001842200000000, 0.0000673900000000 ] - [ -0.0293482100000000, 0.0000000000000000, 0.0294815800000000 ] - [ -0.0002562700000000, 0.0016979700000000, 0.0033181800000000 ] - [ -0.0002562700000000, -0.0016979700000000, 0.0033181800000000 ] - [ 0.0009875400000000, 0.0000000000000000, -0.0040225400000000 ] - [ 0.0000280400000000, -0.0000964800000000, -0.0003954400000000 ] - [ 0.0000280400000000, 0.0000964800000000, -0.0003954400000000 ]- atom: 13 displacement: [ 0.0030426590634358, 0.0000000000000000, -0.0095258713944548 ] forces: - [ -0.0001010900000000, 0.0028254600000000, -0.0007460700000000 ] - [ -0.0004726000000000, 0.0000000000000000, -0.0000527700000000 ] - [ -0.0001010900000000, -0.0028254600000000, -0.0007460700000000 ] - [ -0.0043230400000000, -0.0131608400000000, -0.0041855800000000 ] - [ -0.0020015500000000, 0.0000000000000000, 0.0007898200000000 ] - [ -0.0043230400000000, 0.0131608400000000, -0.0041855800000000 ] - [ 0.0020479300000000, 0.0000000000000000, 0.0006365500000000 ] - [ 0.0010884900000000, 0.0010302400000000, -0.0000745800000000 ] - [ 0.0010884900000000, -0.0010302400000000, -0.0000745800000000 ] - [ -0.0003636900000000, 0.0000000000000000, -0.0013411200000000 ] - [ 0.0008213000000000, -0.0005563300000000, -0.0006126900000000 ] - [ 0.0008213000000000, 0.0005563300000000, -0.0006126900000000 ] - [ -0.0743360000000000, 0.0000000000000000, 0.0984120400000000 ] - [ 0.0008188200000000, 0.0001306200000000, 0.0019501900000000 ] - [ 0.0008188200000000, -0.0001306200000000, 0.0019501900000000 ] - [ 0.0021746100000000, 0.0000000000000000, -0.0038439600000000 ] - [ 0.0008208600000000, 0.0000398400000000, -0.0006602700000000 ] - [ 0.0008208600000000, -0.0000398400000000, -0.0006602700000000 ] - [ -0.0009890400000000, 0.0000587800000000, -0.0011746900000000 ] - [ -0.0007383900000000, 0.0000000000000000, -0.0006301500000000 ] - [ -0.0009890400000000, -0.0000587800000000, -0.0011746900000000 ] - [ -0.0008127900000000, -0.0003237800000000, 0.0009553600000000 ] - [ -0.0007962300000000, 0.0000000000000000, 0.0002239100000000 ] - [ -0.0008127900000000, 0.0003237800000000, 0.0009553600000000 ] - [ -0.0000789800000000, 0.0003048800000000, -0.0004224500000000 ] - [ -0.0003924100000000, 0.0000000000000000, -0.0004780500000000 ] - [ -0.0000789800000000, -0.0003048800000000, -0.0004224500000000 ] - [ -0.0014236800000000, -0.0005015500000000, -0.0021621900000000 ] - [ -0.0007470500000000, 0.0000000000000000, -0.0008774900000000 ] - [ -0.0014236800000000, 0.0005015500000000, -0.0021621900000000 ] - [ 0.0163827900000000, 0.0000000000000000, -0.0232925300000000 ] - [ 0.0005477700000000, 0.0005479800000000, 0.0003040400000000 ] - [ 0.0005477700000000, -0.0005479800000000, 0.0003040400000000 ] - [ 0.0008146300000000, 0.0000000000000000, -0.0264932700000000 ] - [ 0.0007212400000000, -0.0008577100000000, -0.0006203100000000 ] - [ 0.0007212400000000, 0.0008577100000000, -0.0006203100000000 ] - [ 0.0031789900000000, 0.0030299000000000, 0.0034475300000000 ] - [ -0.0009312100000000, 0.0000000000000000, 0.0010913200000000 ] - [ 0.0031789900000000, -0.0030299000000000, 0.0034475300000000 ] - [ -0.0006882900000000, -0.0008604300000000, -0.0017755300000000 ] - [ -0.0004362200000000, 0.0000000000000000, -0.0005098500000000 ] - [ -0.0006882900000000, 0.0008604300000000, -0.0017755300000000 ] - [ 0.0023262800000000, 0.0000000000000000, -0.0019637300000000 ] - [ 0.0011005000000000, 0.0001343900000000, -0.0009997400000000 ] - [ 0.0011005000000000, -0.0001343900000000, -0.0009997400000000 ] - [ -0.0109972600000000, 0.0000000000000000, -0.0015891400000000 ] - [ -0.0006918000000000, -0.0004812500000000, 0.0010416200000000 ] - [ -0.0006918000000000, 0.0004812500000000, 0.0010416200000000 ] - [ -0.0017872000000000, 0.0000000000000000, -0.0004068500000000 ] - [ -0.0010308700000000, 0.0003392300000000, 0.0000903800000000 ] - [ -0.0010308700000000, -0.0003392300000000, 0.0000903800000000 ] - [ -0.0009755200000000, 0.0000000000000000, 0.0008333000000000 ] - [ -0.0008117800000000, -0.0000533500000000, 0.0003610700000000 ] - [ -0.0008117800000000, 0.0000533500000000, 0.0003610700000000 ] - [ 0.0005307300000000, 0.0028775400000000, 0.0020004100000000 ] - [ 0.0007281300000000, 0.0000000000000000, 0.0002065900000000 ] - [ 0.0005307300000000, -0.0028775400000000, 0.0020004100000000 ] - [ 0.0010980200000000, -0.0001344700000000, -0.0007513000000000 ] - [ 0.0009926200000000, 0.0000000000000000, -0.0004608800000000 ] - [ 0.0010980200000000, 0.0001344700000000, -0.0007513000000000 ] - [ 0.0009192200000000, 0.0003470900000000, 0.0009705200000000 ] - [ 0.0007753700000000, 0.0000000000000000, 0.0004296900000000 ] - [ 0.0009192200000000, -0.0003470900000000, 0.0009705200000000 ] - [ -0.0005051200000000, -0.0000173400000000, -0.0007162000000000 ] - [ 0.0000628700000000, 0.0000000000000000, -0.0002459100000000 ] - [ -0.0005051200000000, 0.0000173400000000, -0.0007162000000000 ] - [ -0.0028778900000000, 0.0000000000000000, -0.0035727000000000 ] - [ -0.0008999300000000, 0.0001778600000000, -0.0007075200000000 ] - [ -0.0008999300000000, -0.0001778600000000, -0.0007075200000000 ] - [ 0.0271110200000000, 0.0000000000000000, -0.0104462600000000 ] - [ 0.0010120000000000, -0.0003640500000000, 0.0010055600000000 ] - [ 0.0010120000000000, 0.0003640500000000, 0.0010055600000000 ] - [ -0.0128616600000000, 0.0000000000000000, -0.0015639400000000 ] - [ -0.0007204700000000, 0.0003037800000000, 0.0000550600000000 ] - [ -0.0007204700000000, -0.0003037800000000, 0.0000550600000000 ] - [ 0.0014337100000000, 0.0000000000000000, -0.0042082800000000 ] - [ -0.0002195900000000, -0.0000793500000000, -0.0011123400000000 ] - [ -0.0002195900000000, 0.0000793500000000, -0.0011123400000000 ] - [ 0.0003454200000000, 0.0003605500000000, -0.0001719300000000 ] - [ 0.0004862900000000, 0.0000000000000000, 0.0003810200000000 ] - [ 0.0003454200000000, -0.0003605500000000, -0.0001719300000000 ] - [ 0.0004114200000000, -0.0000047200000000, 0.0006729000000000 ] - [ 0.0004356800000000, 0.0000000000000000, 0.0005322300000000 ] - [ 0.0004114200000000, 0.0000047200000000, 0.0006729000000000 ] - [ -0.0064636200000000, 0.0000000000000000, 0.0039397900000000 ] - [ -0.0005404800000000, 0.0002400200000000, 0.0007100900000000 ] - [ -0.0005404800000000, -0.0002400200000000, 0.0007100900000000 ] - [ -0.0006068700000000, 0.0000000000000000, -0.0004838900000000 ] - [ -0.0005843200000000, 0.0000826500000000, -0.0000571800000000 ] - [ -0.0005843200000000, -0.0000826500000000, -0.0000571800000000 ] - [ 0.0000452900000000, 0.0005321900000000, -0.0009850400000000 ] - [ 0.0004129900000000, 0.0000000000000000, -0.0004508500000000 ] - [ 0.0000452900000000, -0.0005321900000000, -0.0009850400000000 ] - [ 0.0017809600000000, -0.0003338400000000, 0.0006462100000000 ] - [ 0.0008457400000000, 0.0000000000000000, -0.0000261700000000 ] - [ 0.0017809600000000, 0.0003338400000000, 0.0006462100000000 ] - [ 0.0254369800000000, 0.0000000000000000, -0.0174083800000000 ] - [ 0.0003989800000000, -0.0016552000000000, -0.0016952200000000 ] - [ 0.0003989800000000, 0.0016552000000000, -0.0016952200000000 ] - [ 0.0001938800000000, 0.0000000000000000, 0.0080651600000000 ] - [ -0.0004465100000000, 0.0005291600000000, 0.0014680200000000 ] - [ -0.0004465100000000, -0.0005291600000000, 0.0014680200000000 ] - [ -0.0010504500000000, -0.0006572300000000, 0.0018881300000000 ] - [ -0.0003284700000000, 0.0000000000000000, 0.0008449700000000 ] - [ -0.0010504500000000, 0.0006572300000000, 0.0018881300000000 ] - [ 0.0036957200000000, 0.0024013300000000, -0.0024800200000000 ] - [ 0.0010444900000000, 0.0000000000000000, -0.0002676300000000 ] - [ 0.0036957200000000, -0.0024013300000000, -0.0024800200000000 ] - [ 0.0001842700000000, -0.0018162600000000, -0.0008524600000000 ] - [ -0.0001396000000000, 0.0000000000000000, -0.0005079300000000 ] - [ 0.0001842700000000, 0.0018162600000000, -0.0008524600000000 ] - [ 0.0003198600000000, -0.0000601300000000, 0.0003856100000000 ] - [ 0.0001815800000000, 0.0000000000000000, 0.0000040600000000 ] - [ 0.0003198600000000, 0.0000601300000000, 0.0003856100000000 ] - [ 0.0018419700000000, 0.0000000000000000, 0.0034326800000000 ] - [ 0.0003548700000000, -0.0004267700000000, 0.0005677600000000 ] - [ 0.0003548700000000, 0.0004267700000000, 0.0005677600000000 ] - [ -0.0079599600000000, 0.0000000000000000, -0.0022817500000000 ] - [ -0.0009235600000000, 0.0002646300000000, 0.0000247400000000 ] - [ -0.0009235600000000, -0.0002646300000000, 0.0000247400000000 ] - [ -0.0018237700000000, 0.0000000000000000, 0.0134147700000000 ] - [ 0.0002051900000000, -0.0019781700000000, 0.0004890000000000 ] - [ 0.0002051900000000, 0.0019781700000000, 0.0004890000000000 ] - [ 0.0091387400000000, 0.0000000000000000, -0.0015194700000000 ] - [ -0.0010327800000000, 0.0067472000000000, -0.0024536700000000 ] - [ -0.0010327800000000, -0.0067472000000000, -0.0024536700000000 ] - [ -0.0022667400000000, -0.0009225500000000, -0.0004032300000000 ] - [ -0.0002697000000000, 0.0000000000000000, 0.0001992100000000 ] - [ -0.0022667400000000, 0.0009225500000000, -0.0004032300000000 ] - [ 0.0013119300000000, 0.0011748300000000, 0.0036249500000000 ] - [ 0.0003159400000000, 0.0000000000000000, 0.0018601700000000 ] - [ 0.0013119300000000, -0.0011748300000000, 0.0036249500000000 ] - [ 0.0012673000000000, -0.0007814500000000, 0.0007594000000000 ] - [ 0.0006336800000000, 0.0000000000000000, -0.0002692200000000 ] - [ 0.0012673000000000, 0.0007814500000000, 0.0007594000000000 ] - [ 0.0000392800000000, -0.0001755900000000, -0.0017372100000000 ] - [ 0.0002375000000000, 0.0000000000000000, -0.0012148600000000 ] - [ 0.0000392800000000, 0.0001755900000000, -0.0017372100000000 ] - [ 0.0296060700000000, 0.0000000000000000, -0.0272429600000000 ] - [ -0.0002587300000000, -0.0016266800000000, -0.0016214200000000 ] - [ -0.0002587300000000, 0.0016266800000000, -0.0016214200000000 ] - [ -0.0014836700000000, 0.0000000000000000, 0.0057059900000000 ] - [ -0.0005538900000000, 0.0000873600000000, 0.0020836600000000 ] - [ -0.0005538900000000, -0.0000873600000000, 0.0020836600000000 ]- atom: 25 displacement: [ 0.0099999992707097, 0.0000000000000000, -0.0000038191367309 ] forces: - [ 0.0113937200000000, 0.0000000000000000, 0.0101651200000000 ] - [ -0.0015231000000000, -0.0016305800000000, 0.0005633200000000 ] - [ -0.0015231000000000, 0.0016305800000000, 0.0005633200000000 ] - [ -0.0008002200000000, 0.0000000000000000, 0.0000469000000000 ] - [ -0.0008736000000000, -0.0000341300000000, 0.0002017100000000 ] - [ -0.0008736000000000, 0.0000341300000000, 0.0002017100000000 ] - [ -0.0017114100000000, 0.0027357800000000, -0.0035833200000000 ] - [ -0.0017114100000000, -0.0027357800000000, -0.0035833200000000 ] - [ 0.0007021200000000, 0.0000000000000000, -0.0003059600000000 ] - [ 0.0003296600000000, -0.0009547400000000, -0.0005361400000000 ] - [ 0.0003296600000000, 0.0009547400000000, -0.0005361400000000 ] - [ 0.0005638900000000, 0.0000000000000000, -0.0002802800000000 ] - [ 0.0014357400000000, 0.0000302200000000, -0.0000032100000000 ] - [ 0.0014357400000000, -0.0000302200000000, -0.0000032100000000 ] - [ 0.0008885600000000, 0.0000000000000000, 0.0001492100000000 ] - [ 0.0009143800000000, 0.0003683700000000, 0.0012409800000000 ] - [ 0.0009143800000000, -0.0003683700000000, 0.0012409800000000 ] - [ 0.0007006900000000, 0.0000000000000000, 0.0004615100000000 ] - [ 0.0099306100000000, 0.0000000000000000, -0.0134607000000000 ] - [ -0.0011708600000000, 0.0002388400000000, -0.0004035600000000 ] - [ -0.0011708600000000, -0.0002388400000000, -0.0004035600000000 ] - [ -0.0014100200000000, 0.0000000000000000, -0.0008259300000000 ] - [ -0.0009648700000000, -0.0001964400000000, -0.0005214700000000 ] - [ -0.0009648700000000, 0.0001964400000000, -0.0005214700000000 ] - [ -0.0516103400000000, 0.0000000000000000, 0.0176819000000000 ] - [ -0.0011076600000000, 0.0001059500000000, -0.0001928300000000 ] - [ -0.0011076600000000, -0.0001059500000000, -0.0001928300000000 ] - [ -0.0005451700000000, 0.0000000000000000, -0.0025155500000000 ] - [ -0.0005163800000000, 0.0000575100000000, -0.0009000300000000 ] - [ -0.0005163800000000, -0.0000575100000000, -0.0009000300000000 ] - [ 0.0020352300000000, 0.0018162900000000, 0.0009024800000000 ] - [ 0.0020352300000000, -0.0018162900000000, 0.0009024800000000 ] - [ 0.0005049700000000, 0.0000000000000000, 0.0001973800000000 ] - [ 0.0003113700000000, -0.0000359000000000, 0.0004868900000000 ] - [ 0.0003113700000000, 0.0000359000000000, 0.0004868900000000 ] - [ 0.0004211800000000, 0.0000000000000000, 0.0005734200000000 ] - [ -0.0008382900000000, 0.0000000000000000, -0.0039689500000000 ] - [ -0.0006917500000000, -0.0002674700000000, -0.0000899200000000 ] - [ -0.0006917500000000, 0.0002674700000000, -0.0000899200000000 ] - [ -0.0021391300000000, 0.0000000000000000, 0.0004973500000000 ] - [ -0.0011450600000000, -0.0002360800000000, 0.0006799100000000 ] - [ -0.0011450600000000, 0.0002360800000000, 0.0006799100000000 ] - [ -0.0021117700000000, 0.0015774200000000, 0.0019575000000000 ] - [ -0.0021117700000000, -0.0015774200000000, 0.0019575000000000 ] - [ 0.0000372400000000, 0.0000000000000000, -0.0000977500000000 ] - [ 0.0006555400000000, 0.0002826600000000, -0.0007352800000000 ] - [ 0.0006555400000000, -0.0002826600000000, -0.0007352800000000 ] - [ 0.0006015400000000, 0.0000000000000000, -0.0004503400000000 ] - [ -0.0000094600000000, -0.0021293300000000, -0.0000438000000000 ] - [ -0.0000094600000000, 0.0021293300000000, -0.0000438000000000 ] - [ -0.0005444000000000, 0.0000000000000000, 0.0001188700000000 ] - [ -0.0009037200000000, -0.0005456500000000, 0.0005221700000000 ] - [ -0.0009037200000000, 0.0005456500000000, 0.0005221700000000 ] - [ -0.0009175700000000, 0.0000000000000000, 0.0002883900000000 ] - [ 0.0016561900000000, 0.0000000000000000, 0.0000118500000000 ] - [ 0.0011389400000000, 0.0001437900000000, -0.0002079900000000 ] - [ 0.0011389400000000, -0.0001437900000000, -0.0002079900000000 ] - [ 0.0014783100000000, 0.0000000000000000, -0.0000942600000000 ] - [ 0.0012312100000000, -0.0001746600000000, -0.0001624800000000 ] - [ 0.0012312100000000, 0.0001746600000000, -0.0001624800000000 ] - [ -0.0046138900000000, 0.0000000000000000, 0.0114688200000000 ] - [ -0.0000025400000000, 0.0001598500000000, 0.0002094400000000 ] - [ -0.0000025400000000, -0.0001598500000000, 0.0002094400000000 ] - [ 0.0016592500000000, 0.0000000000000000, -0.0015428000000000 ] - [ 0.0005147700000000, 0.0001346500000000, -0.0001546600000000 ] - [ 0.0005147700000000, -0.0001346500000000, -0.0001546600000000 ] - [ 0.0013881900000000, 0.0003115200000000, 0.0006303100000000 ] - [ 0.0013881900000000, -0.0003115200000000, 0.0006303100000000 ] - [ 0.0000249600000000, 0.0000000000000000, 0.0000454000000000 ] - [ -0.0002307100000000, -0.0000365500000000, 0.0000424200000000 ] - [ -0.0002307100000000, 0.0000365500000000, 0.0000424200000000 ] - [ -0.0004223200000000, 0.0000000000000000, -0.0000444100000000 ] - [ 0.0001006900000000, -0.0001353300000000, -0.0004132500000000 ] - [ 0.0001006900000000, 0.0001353300000000, -0.0004132500000000 ] - [ -0.0002782100000000, 0.0000000000000000, -0.0004784800000000 ] - [ -0.0003944100000000, -0.0000255000000000, 0.0001136300000000 ] - [ -0.0003944100000000, 0.0000255000000000, 0.0001136300000000 ] - [ -0.0004565000000000, 0.0000000000000000, -0.0002256400000000 ] - [ 0.0035067500000000, 0.0000000000000000, 0.0005996500000000 ] - [ 0.0006199100000000, 0.0003291200000000, 0.0006854100000000 ] - [ 0.0006199100000000, -0.0003291200000000, 0.0006854100000000 ] - [ 0.0007211200000000, 0.0000000000000000, 0.0011779600000000 ] - [ 0.0005659800000000, 0.0000614900000000, 0.0005425300000000 ] - [ 0.0005659800000000, -0.0000614900000000, 0.0005425300000000 ] - [ -0.0000454800000000, -0.0003798000000000, 0.0007165800000000 ] - [ -0.0000454800000000, 0.0003798000000000, 0.0007165800000000 ] - [ -0.0004719700000000, 0.0000000000000000, 0.0004071500000000 ] - [ 0.0002202300000000, -0.0002292600000000, 0.0001064700000000 ] - [ 0.0002202300000000, 0.0002292600000000, 0.0001064700000000 ] - [ -0.0002186200000000, 0.0000000000000000, 0.0001374400000000 ] - [ 0.0024961900000000, 0.0000000000000000, -0.0008217200000000 ] - [ 0.0011936400000000, 0.0001820300000000, -0.0004161400000000 ] - [ 0.0011936400000000, -0.0001820300000000, -0.0004161400000000 ] - [ 0.0008385600000000, 0.0000000000000000, 0.0001204200000000 ] - [ 0.0005737900000000, 0.0001261800000000, -0.0000743400000000 ] - [ 0.0005737900000000, -0.0001261800000000, -0.0000743400000000 ] - [ -0.0007798300000000, -0.0012251000000000, 0.0021422800000000 ] - [ -0.0007798300000000, 0.0012251000000000, 0.0021422800000000 ] - [ -0.0001149000000000, 0.0000000000000000, 0.0001430200000000 ] - [ 0.0009153700000000, 0.0002378300000000, -0.0011067200000000 ] - [ 0.0009153700000000, -0.0002378300000000, -0.0011067200000000 ] - [ 0.0003113900000000, 0.0000000000000000, -0.0004669700000000 ] - [ 0.0148277900000000, 0.0000000000000000, 0.0112802500000000 ] - [ 0.0014829100000000, 0.0002847400000000, 0.0003565300000000 ] - [ 0.0014829100000000, -0.0002847400000000, 0.0003565300000000 ] - [ 0.0003901700000000, 0.0000000000000000, 0.0021397700000000 ] - [ 0.0001115200000000, 0.0000827500000000, 0.0006909500000000 ] - [ 0.0001115200000000, -0.0000827500000000, 0.0006909500000000 ] - [ -0.0021149800000000, 0.0000000000000000, -0.0030181200000000 ] - [ -0.0001337700000000, -0.0004088400000000, -0.0007390500000000 ] - [ -0.0001337700000000, 0.0004088400000000, -0.0007390500000000 ] - [ -0.0013743800000000, 0.0000000000000000, 0.0001506400000000 ] - [ -0.0005321100000000, -0.0000968800000000, -0.0000907100000000 ] - [ -0.0005321100000000, 0.0000968800000000, -0.0000907100000000 ] - [ -0.0020558700000000, 0.0004929500000000, 0.0004406100000000 ] - [ -0.0020558700000000, -0.0004929500000000, 0.0004406100000000 ] - [ -0.0007033900000000, 0.0000000000000000, 0.0003258900000000 ] - [ -0.0002336100000000, 0.0001953300000000, -0.0003526600000000 ] - [ -0.0002336100000000, -0.0001953300000000, -0.0003526600000000 ] - [ -0.0000455900000000, 0.0000000000000000, -0.0000058700000000 ] - [ -0.0015287600000000, -0.0069028400000000, -0.0043716400000000 ] - [ -0.0015287600000000, 0.0069028400000000, -0.0043716400000000 ] - [ -0.0000283600000000, 0.0000000000000000, -0.0009877500000000 ] - [ 0.0000013000000000, -0.0000272500000000, -0.0006600200000000 ] - [ 0.0000013000000000, 0.0000272500000000, -0.0006600200000000 ] - [ 0.0001671700000000, 0.0000000000000000, -0.0008602600000000 ] - [ 0.0307366400000000, 0.0000000000000000, -0.0282805900000000 ] - [ 0.0015331600000000, 0.0012083300000000, 0.0002832700000000 ] - [ 0.0015331600000000, -0.0012083300000000, 0.0002832700000000 ] - [ 0.0016611600000000, 0.0000000000000000, 0.0059875300000000 ] - [ 0.0003191800000000, -0.0006670600000000, 0.0013746900000000 ] - [ 0.0003191800000000, 0.0006670600000000, 0.0013746900000000 ] - [ -0.0086970400000000, 0.0000000000000000, 0.0009992000000000 ] - [ 0.0000256300000000, -0.0017191900000000, -0.0004067300000000 ] - [ 0.0000256300000000, 0.0017191900000000, -0.0004067300000000 ] - [ 0.0010286800000000, 0.0000000000000000, -0.0031128300000000 ] - [ 0.0006568400000000, -0.0003926200000000, -0.0008657900000000 ] - [ 0.0006568400000000, 0.0003926200000000, -0.0008657900000000 ] - [ -0.0017262300000000, 0.0003957400000000, 0.0004896400000000 ] - [ -0.0017262300000000, -0.0003957400000000, 0.0004896400000000 ] - [ -0.0007915700000000, 0.0000000000000000, 0.0006889600000000 ] - [ -0.0015699000000000, -0.0001765200000000, -0.0005531900000000 ] - [ -0.0015699000000000, 0.0001765200000000, -0.0005531900000000 ] - [ -0.0007365800000000, 0.0000000000000000, 0.0003915900000000 ]- atom: 25 displacement: [ -0.0099999992707097, 0.0000000000000000, 0.0000038191367309 ] forces: - [ -0.0134657400000000, 0.0000000000000000, -0.0098731600000000 ] - [ -0.0003146400000000, 0.0016387300000000, -0.0000603400000000 ] - [ -0.0003146400000000, -0.0016387300000000, -0.0000603400000000 ] - [ -0.0010433700000000, 0.0000000000000000, 0.0004578900000000 ] - [ -0.0009698900000000, 0.0000331600000000, 0.0003035000000000 ] - [ -0.0009698900000000, -0.0000331600000000, 0.0003035000000000 ] - [ 0.0035905000000000, -0.0026706200000000, 0.0030746500000000 ] - [ 0.0035905000000000, 0.0026706200000000, 0.0030746500000000 ] - [ 0.0011471300000000, 0.0000000000000000, -0.0001989300000000 ] - [ 0.0015126000000000, 0.0009507700000000, 0.0000277500000000 ] - [ 0.0015126000000000, -0.0009507700000000, 0.0000277500000000 ] - [ 0.0012796500000000, 0.0000000000000000, -0.0002265800000000 ] - [ -0.0003017600000000, -0.0000283100000000, 0.0003047400000000 ] - [ -0.0003017600000000, 0.0000283100000000, 0.0003047400000000 ] - [ 0.0002439300000000, 0.0000000000000000, 0.0001499200000000 ] - [ 0.0002180500000000, -0.0003724000000000, -0.0009482400000000 ] - [ 0.0002180500000000, 0.0003724000000000, -0.0009482400000000 ] - [ 0.0004282000000000, 0.0000000000000000, -0.0001651300000000 ] - [ -0.0109822400000000, 0.0000000000000000, 0.0129808100000000 ] - [ 0.0000370900000000, -0.0002375800000000, 0.0001033900000000 ] - [ 0.0000370900000000, 0.0002375800000000, 0.0001033900000000 ] - [ 0.0002625600000000, 0.0000000000000000, 0.0004516900000000 ] - [ -0.0001660100000000, 0.0001934700000000, 0.0002212800000000 ] - [ -0.0001660100000000, -0.0001934700000000, 0.0002212800000000 ] - [ 0.0502548300000000, 0.0000000000000000, -0.0175304000000000 ] - [ 0.0001224000000000, -0.0001071100000000, -0.0008296900000000 ] - [ 0.0001224000000000, 0.0001071100000000, -0.0008296900000000 ] - [ -0.0004305800000000, 0.0000000000000000, 0.0014556300000000 ] - [ -0.0004658500000000, -0.0000578400000000, -0.0001368300000000 ] - [ -0.0004658500000000, 0.0000578400000000, -0.0001368300000000 ] - [ -0.0010738700000000, -0.0018374200000000, 0.0001389400000000 ] - [ -0.0010738700000000, 0.0018374200000000, 0.0001389400000000 ] - [ 0.0004785600000000, 0.0000000000000000, 0.0008398700000000 ] - [ 0.0006713800000000, 0.0000360600000000, 0.0005428300000000 ] - [ 0.0006713800000000, -0.0000360600000000, 0.0005428300000000 ] - [ 0.0005614200000000, 0.0000000000000000, 0.0004555600000000 ] - [ -0.0002441600000000, 0.0000000000000000, 0.0045459800000000 ] - [ -0.0004375000000000, 0.0002632000000000, 0.0006063800000000 ] - [ -0.0004375000000000, -0.0002632000000000, 0.0006063800000000 ] - [ 0.0010020000000000, 0.0000000000000000, 0.0000210400000000 ] - [ 0.0000091400000000, 0.0002334900000000, -0.0001629700000000 ] - [ 0.0000091400000000, -0.0002334900000000, -0.0001629700000000 ] - [ 0.0032740000000000, -0.0015558000000000, -0.0024548200000000 ] - [ 0.0032740000000000, 0.0015558000000000, -0.0024548200000000 ] - [ 0.0010984800000000, 0.0000000000000000, -0.0004175900000000 ] - [ 0.0004881100000000, -0.0002805500000000, 0.0002150300000000 ] - [ 0.0004881100000000, 0.0002805500000000, 0.0002150300000000 ] - [ 0.0005355000000000, 0.0000000000000000, -0.0000671100000000 ] - [ -0.0018320600000000, 0.0021181300000000, 0.0005475200000000 ] - [ -0.0018320600000000, -0.0021181300000000, 0.0005475200000000 ] - [ -0.0012996300000000, 0.0000000000000000, 0.0003862300000000 ] - [ -0.0009465400000000, 0.0005561600000000, -0.0000165000000000 ] - [ -0.0009465400000000, -0.0005561600000000, -0.0000165000000000 ] - [ -0.0009296800000000, 0.0000000000000000, 0.0002171300000000 ] - [ 0.0001905400000000, 0.0000000000000000, -0.0005142800000000 ] - [ 0.0007053300000000, -0.0001433200000000, -0.0002965400000000 ] - [ 0.0007053300000000, 0.0001433200000000, -0.0002965400000000 ] - [ 0.0003641700000000, 0.0000000000000000, -0.0004153600000000 ] - [ 0.0006130200000000, 0.0001762900000000, -0.0003449800000000 ] - [ 0.0006130200000000, -0.0001762900000000, -0.0003449800000000 ] - [ 0.0057006300000000, 0.0000000000000000, -0.0110934200000000 ] - [ 0.0011261500000000, -0.0001599100000000, 0.0000890200000000 ] - [ 0.0011261500000000, 0.0001599100000000, 0.0000890200000000 ] - [ -0.0005230900000000, 0.0000000000000000, 0.0018256500000000 ] - [ 0.0006134500000000, -0.0001340200000000, 0.0004496300000000 ] - [ 0.0006134500000000, 0.0001340200000000, 0.0004496300000000 ] - [ -0.0025250000000000, -0.0003162200000000, -0.0009322500000000 ] - [ -0.0025250000000000, 0.0003162200000000, -0.0009322500000000 ] - [ -0.0011548200000000, 0.0000000000000000, -0.0003442600000000 ] - [ -0.0008978300000000, 0.0000368200000000, -0.0003378200000000 ] - [ -0.0008978300000000, -0.0000368200000000, -0.0003378200000000 ] - [ -0.0007058100000000, 0.0000000000000000, -0.0002520400000000 ] - [ -0.0010831200000000, 0.0001343300000000, -0.0006117000000000 ] - [ -0.0010831200000000, -0.0001343300000000, -0.0006117000000000 ] - [ -0.0007042700000000, 0.0000000000000000, -0.0005515100000000 ] - [ -0.0005895600000000, 0.0000259600000000, -0.0011519400000000 ] - [ -0.0005895600000000, -0.0000259600000000, -0.0011519400000000 ] - [ -0.0005266900000000, 0.0000000000000000, -0.0008087300000000 ] - [ -0.0024813600000000, 0.0000000000000000, 0.0004421400000000 ] - [ 0.0003626500000000, -0.0003270800000000, 0.0003506100000000 ] - [ 0.0003626500000000, 0.0003270800000000, 0.0003506100000000 ] - [ 0.0002587800000000, 0.0000000000000000, -0.0001647500000000 ] - [ 0.0004162400000000, -0.0000620300000000, 0.0004833600000000 ] - [ 0.0004162400000000, 0.0000620300000000, 0.0004833600000000 ] - [ -0.0010917200000000, 0.0003801400000000, -0.0001956200000000 ] - [ -0.0010917200000000, -0.0003801400000000, -0.0001956200000000 ] - [ -0.0006644100000000, 0.0000000000000000, 0.0001107400000000 ] - [ -0.0013550500000000, 0.0002284500000000, 0.0004042600000000 ] - [ -0.0013550500000000, -0.0002284500000000, 0.0004042600000000 ] - [ -0.0009166400000000, 0.0000000000000000, 0.0003758900000000 ] - [ -0.0013545200000000, 0.0000000000000000, 0.0003028600000000 ] - [ -0.0000590000000000, -0.0001801200000000, -0.0001006500000000 ] - [ -0.0000590000000000, 0.0001801200000000, -0.0001006500000000 ] - [ 0.0002873000000000, 0.0000000000000000, -0.0006322700000000 ] - [ 0.0005579800000000, -0.0001269600000000, -0.0004404500000000 ] - [ 0.0005579800000000, 0.0001269600000000, -0.0004404500000000 ] - [ 0.0006442800000000, 0.0012198500000000, -0.0026526600000000 ] - [ 0.0006442800000000, -0.0012198500000000, -0.0026526600000000 ] - [ -0.0000084000000000, 0.0000000000000000, -0.0006369500000000 ] - [ -0.0010344100000000, -0.0002355300000000, 0.0006110000000000 ] - [ -0.0010344100000000, 0.0002355300000000, 0.0006110000000000 ] - [ -0.0004305900000000, 0.0000000000000000, -0.0000214800000000 ] - [ -0.0145938400000000, 0.0000000000000000, -0.0102441900000000 ] - [ -0.0013619600000000, -0.0002792900000000, 0.0001334400000000 ] - [ -0.0013619600000000, 0.0002792900000000, 0.0001334400000000 ] - [ -0.0003019900000000, 0.0000000000000000, -0.0016391500000000 ] - [ 0.0000037300000000, -0.0000794900000000, -0.0001964200000000 ] - [ 0.0000037300000000, 0.0000794900000000, -0.0001964200000000 ] - [ 0.0020069100000000, 0.0000000000000000, 0.0025041400000000 ] - [ 0.0000184600000000, 0.0004077300000000, 0.0002423100000000 ] - [ 0.0000184600000000, -0.0004077300000000, 0.0002423100000000 ] - [ 0.0012549200000000, 0.0000000000000000, -0.0006259100000000 ] - [ 0.0004143000000000, 0.0000959900000000, -0.0003943000000000 ] - [ 0.0004143000000000, -0.0000959900000000, -0.0003943000000000 ] - [ 0.0021741100000000, -0.0004893400000000, 0.0000501400000000 ] - [ 0.0021741100000000, 0.0004893400000000, 0.0000501400000000 ] - [ 0.0008204500000000, 0.0000000000000000, 0.0001645500000000 ] - [ 0.0003572500000000, -0.0001983900000000, 0.0008431200000000 ] - [ 0.0003572500000000, 0.0001983900000000, 0.0008431200000000 ] - [ 0.0001659800000000, 0.0000000000000000, 0.0004966500000000 ] - [ 0.0020550500000000, 0.0069560000000000, 0.0027020300000000 ] - [ 0.0020550500000000, -0.0069560000000000, 0.0027020300000000 ] - [ 0.0005606200000000, 0.0000000000000000, -0.0007024900000000 ] - [ 0.0005249400000000, 0.0000266900000000, -0.0010266700000000 ] - [ 0.0005249400000000, -0.0000266900000000, -0.0010266700000000 ] - [ 0.0003623600000000, 0.0000000000000000, -0.0008262500000000 ] - [ -0.0309711200000000, 0.0000000000000000, 0.0285313800000000 ] - [ -0.0020556400000000, -0.0011796400000000, 0.0013952800000000 ] - [ -0.0020556400000000, 0.0011796400000000, 0.0013952800000000 ] - [ -0.0021853400000000, 0.0000000000000000, -0.0042629200000000 ] - [ -0.0008497300000000, 0.0006648700000000, 0.0003182500000000 ] - [ -0.0008497300000000, -0.0006648700000000, 0.0003182500000000 ] - [ 0.0091882500000000, 0.0000000000000000, -0.0026681000000000 ] - [ 0.0005082200000000, 0.0017089800000000, -0.0012785500000000 ] - [ 0.0005082200000000, -0.0017089800000000, -0.0012785500000000 ] - [ -0.0004351000000000, 0.0000000000000000, 0.0014489300000000 ] - [ -0.0001202200000000, 0.0003999900000000, -0.0008162900000000 ] - [ -0.0001202200000000, -0.0003999900000000, -0.0008162900000000 ] - [ 0.0011916000000000, -0.0003937200000000, 0.0011867800000000 ] - [ 0.0011916000000000, 0.0003937200000000, 0.0011867800000000 ] - [ 0.0002580900000000, 0.0000000000000000, 0.0009936100000000 ] - [ 0.0010404000000000, 0.0001783000000000, 0.0022534200000000 ] - [ 0.0010404000000000, -0.0001783000000000, 0.0022534200000000 ] - [ 0.0002040000000000, 0.0000000000000000, 0.0012997300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008970100000000, -0.0061505900000000, 0.0002729700000000 ] - [ -0.0019178900000000, 0.0019874100000000, 0.0003311400000000 ] - [ 0.0000572600000000, 0.0019831700000000, 0.0001832900000000 ] - [ -0.0009247800000000, -0.0006754500000000, 0.0002553500000000 ] - [ -0.0011027600000000, 0.0003318700000000, 0.0003325000000000 ] - [ -0.0007519300000000, 0.0003371500000000, 0.0001806900000000 ] - [ 0.0041011200000000, 0.0071825900000000, -0.0119659000000000 ] - [ -0.0022803700000000, 0.0071962400000000, 0.0116087000000000 ] - [ 0.0009275800000000, 0.0041578600000000, -0.0002555400000000 ] - [ 0.0003884600000000, -0.0005592200000000, 0.0000980300000000 ] - [ 0.0014722900000000, -0.0005653400000000, -0.0006150900000000 ] - [ 0.0009286100000000, 0.0011116600000000, -0.0002572400000000 ] - [ 0.0009726700000000, -0.0001217500000000, -0.0000370000000000 ] - [ 0.0001453000000000, -0.0001251500000000, 0.0003368500000000 ] - [ 0.0005561000000000, 0.0002528000000000, 0.0001485700000000 ] - [ 0.0019301800000000, -0.0002838800000000, 0.0011109500000000 ] - [ -0.0008305900000000, -0.0002871300000000, -0.0008219400000000 ] - [ 0.0005566700000000, 0.0003176600000000, 0.0001479700000000 ] - [ -0.0005818100000000, -0.0037492200000000, -0.0001260700000000 ] - [ 0.0003364500000000, 0.0005036300000000, -0.0004417500000000 ] - [ -0.0014433800000000, 0.0005009700000000, 0.0001419400000000 ] - [ -0.0005694500000000, 0.0005284300000000, -0.0002011300000000 ] - [ 0.0000082500000000, 0.0007295100000000, 0.0009401500000000 ] - [ -0.0011187100000000, 0.0007304200000000, -0.0012307000000000 ] - [ -0.0004956600000000, -0.0471593100000000, -0.0000283600000000 ] - [ -0.0005994100000000, 0.0014152900000000, -0.0001629900000000 ] - [ -0.0003869400000000, 0.0014130200000000, -0.0008226600000000 ] - [ -0.0004866600000000, -0.0002912700000000, -0.0005075800000000 ] - [ -0.0005486100000000, 0.0001167800000000, -0.0005577700000000 ] - [ -0.0004331100000000, 0.0001181900000000, -0.0004470400000000 ] - [ 0.0023083700000000, 0.0006011700000000, 0.0013308300000000 ] - [ -0.0013461000000000, 0.0006077600000000, -0.0003165200000000 ] - [ 0.0004903700000000, 0.0005574000000000, 0.0005014200000000 ] - [ 0.0004548600000000, -0.0001228500000000, 0.0006708500000000 ] - [ 0.0005266800000000, -0.0001241000000000, 0.0003235500000000 ] - [ 0.0004903300000000, 0.0002710900000000, 0.0004997200000000 ] - [ -0.0005355700000000, -0.0018536700000000, 0.0002507000000000 ] - [ -0.0012455100000000, 0.0012405200000000, 0.0005824800000000 ] - [ 0.0001213500000000, 0.0012422600000000, -0.0000705600000000 ] - [ -0.0005578100000000, -0.0018659200000000, 0.0002522900000000 ] - [ -0.0001056100000000, 0.0014435000000000, -0.0007635000000000 ] - [ -0.0010137900000000, 0.0014330100000000, 0.0012627700000000 ] - [ 0.0044070900000000, 0.0057748800000000, 0.0097775700000000 ] - [ -0.0033355500000000, 0.0058551300000000, -0.0104481900000000 ] - [ 0.0005602700000000, 0.0011188400000000, -0.0002549400000000 ] - [ 0.0012489200000000, -0.0003544000000000, -0.0008064100000000 ] - [ -0.0001214700000000, -0.0003642200000000, 0.0002956300000000 ] - [ 0.0005607000000000, 0.0006297300000000, -0.0002542300000000 ] - [ -0.0010278600000000, -0.0004646300000000, 0.0003155200000000 ] - [ -0.0008238100000000, -0.0004700100000000, 0.0001963000000000 ] - [ -0.0009262500000000, 0.0009327800000000, 0.0002561700000000 ] - [ -0.0009289500000000, -0.0005908200000000, 0.0002409200000000 ] - [ -0.0009314800000000, -0.0006125400000000, 0.0002723500000000 ] - [ -0.0009285200000000, 0.0010070200000000, 0.0002573700000000 ] - [ 0.0009265700000000, -0.0006035000000000, -0.0002558300000000 ] - [ 0.0010280100000000, 0.0003128100000000, -0.0002419200000000 ] - [ 0.0008273900000000, 0.0003157400000000, -0.0002702300000000 ] - [ 0.0009257700000000, -0.0008383500000000, -0.0002580600000000 ] - [ 0.0009458800000000, 0.0004148000000000, -0.0003038800000000 ] - [ 0.0009075200000000, 0.0004165000000000, -0.0002104800000000 ] - [ 0.0005111500000000, -0.0023379000000000, 0.0001423100000000 ] - [ 0.0015612800000000, 0.0004575500000000, 0.0007931800000000 ] - [ -0.0004442100000000, 0.0004589000000000, -0.0004904800000000 ] - [ 0.0005575700000000, -0.0000729300000000, 0.0001490300000000 ] - [ 0.0007632700000000, 0.0000813400000000, 0.0001306700000000 ] - [ 0.0003531400000000, 0.0000818700000000, 0.0001657400000000 ] - [ 0.0005661300000000, -0.0001345500000000, 0.0005895300000000 ] - [ -0.0016843400000000, -0.0001366000000000, -0.0008904700000000 ] - [ -0.0005591300000000, 0.0002373300000000, -0.0001498400000000 ] - [ -0.0004756600000000, -0.0000534700000000, -0.0001265600000000 ] - [ -0.0006404600000000, -0.0000547300000000, -0.0001696900000000 ] - [ -0.0005589900000000, 0.0001078100000000, -0.0001492100000000 ] - [ -0.0003561100000000, -0.0000764100000000, -0.0006261900000000 ] - [ -0.0006259000000000, -0.0000771900000000, -0.0003712700000000 ] - [ -0.0004909500000000, 0.0001477200000000, -0.0004988800000000 ] - [ -0.0004658600000000, -0.0000647100000000, -0.0002684500000000 ] - [ -0.0005173800000000, -0.0000662900000000, -0.0007413700000000 ] - [ -0.0004910600000000, 0.0001342700000000, -0.0005030800000000 ] - [ 0.0004916300000000, -0.0008695400000000, 0.0005025600000000 ] - [ 0.0008203300000000, 0.0002372000000000, 0.0002955900000000 ] - [ 0.0001641600000000, 0.0002366300000000, 0.0007034100000000 ] - [ 0.0004886200000000, -0.0002180800000000, 0.0004883000000000 ] - [ 0.0005531000000000, 0.0000619200000000, 0.0007727800000000 ] - [ 0.0004292500000000, 0.0000637800000000, 0.0002261200000000 ] - [ -0.0008407600000000, -0.0001321900000000, 0.0001505900000000 ] - [ -0.0002857800000000, -0.0001381400000000, 0.0003624000000000 ] - [ -0.0005605400000000, 0.0004102400000000, 0.0002558400000000 ] - [ -0.0003642800000000, -0.0001424000000000, 0.0002825400000000 ] - [ -0.0007609000000000, -0.0001454500000000, 0.0002236400000000 ] - [ -0.0005608400000000, 0.0002847400000000, 0.0002535500000000 ] - [ 0.0005601800000000, -0.0003783200000000, -0.0002548600000000 ] - [ 0.0006311300000000, 0.0001950800000000, -0.0003102500000000 ] - [ 0.0004921700000000, 0.0001962200000000, -0.0002003000000000 ] - [ 0.0005546400000000, -0.0003132000000000, -0.0002538200000000 ] - [ 0.0007627000000000, 0.0001608800000000, -0.0001770900000000 ] - [ 0.0003598400000000, 0.0001642500000000, -0.0003305700000000 ] - [ -0.0030098300000000, 0.0006361200000000, 0.0010695900000000 ] - [ 0.0028944500000000, 0.0006599100000000, -0.0015521700000000 ] - [ -0.0000553600000000, -0.0014529200000000, -0.0002372100000000 ] - [ 0.0001506200000000, 0.0008776900000000, -0.0033200700000000 ] - [ -0.0002634000000000, 0.0008835300000000, 0.0028735300000000 ] - [ -0.0000551000000000, -0.0012036800000000, -0.0002335500000000 ] - [ 0.0000764500000000, 0.0159015200000000, 0.0005542000000000 ] - [ -0.0002728900000000, -0.0037226400000000, 0.0010962400000000 ] - [ 0.0003828200000000, -0.0036979600000000, -0.0006219200000000 ] - [ 0.0000376600000000, 0.0010341500000000, 0.0002444700000000 ] - [ 0.0005296000000000, -0.0005278700000000, -0.0003667700000000 ] - [ -0.0004168700000000, -0.0005334800000000, 0.0008376900000000 ] - [ -0.0000430700000000, 0.0011447200000000, -0.0002411400000000 ] - [ -0.0008564400000000, -0.0003663200000000, -0.0003986300000000 ] - [ 0.0007413000000000, -0.0003690700000000, -0.0000778300000000 ] - [ -0.0000540600000000, 0.0004146700000000, -0.0002285700000000 ] - [ -0.0001498600000000, -0.0002063200000000, -0.0002726900000000 ] - [ 0.0000369800000000, -0.0002084200000000, -0.0001946200000000 ] - [ -0.0003630900000000, 0.0002009700000000, 0.0002528700000000 ] - [ 0.0004756400000000, 0.0002030100000000, 0.0002182900000000 ] - [ 0.0000561900000000, -0.0004058200000000, 0.0002354200000000 ] - [ 0.0000554700000000, 0.0002045100000000, 0.0002730700000000 ] - [ 0.0000638700000000, 0.0002123900000000, 0.0001998700000000 ] - [ 0.0000571500000000, -0.0004138500000000, 0.0002355900000000 ] - [ -0.0050829800000000, 0.0011607000000000, -0.0037980700000000 ] - [ 0.0056630100000000, 0.0011784600000000, 0.0021275100000000 ] - [ 0.0002696200000000, -0.0029657700000000, -0.0008429600000000 ] - [ -0.0000281500000000, 0.0003289900000000, -0.0008440600000000 ] - [ 0.0005575600000000, 0.0003358100000000, -0.0008391900000000 ] - [ 0.0002671300000000, -0.0006674600000000, -0.0008424300000000 ] - [ -0.0002045900000000, 0.0233012300000000, 0.0000275900000000 ] - [ -0.0010216100000000, -0.0086471700000000, -0.0005124400000000 ] - [ 0.0004896700000000, -0.0086495200000000, 0.0021855500000000 ] - [ -0.0002743400000000, 0.0013219800000000, 0.0008450400000000 ] - [ -0.0008558000000000, -0.0006744700000000, 0.0013409900000000 ] - [ 0.0003166500000000, -0.0006765900000000, 0.0003529500000000 ] - [ 0.0002691100000000, 0.0015738000000000, -0.0008323000000000 ] - [ -0.0008335300000000, -0.0006849200000000, -0.0004964800000000 ] - [ 0.0013566200000000, -0.0006857300000000, -0.0011882300000000 ] - [ 0.0003032000000000, 0.0009353800000000, -0.0008233400000000 ] - [ -0.0007253200000000, -0.0004493400000000, -0.0018545100000000 ] - [ 0.0012528800000000, -0.0004652100000000, 0.0001641100000000 ] - [ -0.0004872000000000, 0.0003026100000000, 0.0009262500000000 ] - [ -0.0000444400000000, 0.0003064100000000, 0.0007552900000000 ] - [ -0.0002659900000000, -0.0006064000000000, 0.0008427300000000 ] - [ -0.0009929400000000, 0.0003638300000000, 0.0002447800000000 ] - [ 0.0004677600000000, 0.0003668000000000, 0.0014515100000000 ] - [ -0.0002653300000000, -0.0007301500000000, 0.0008465800000000 ]- atom: 25 displacement: [ -0.0030426590634358, 0.0000000000000000, 0.0095258713944548 ] forces: - [ 0.0157543100000000, 0.0000000000000000, 0.0061622200000000 ] - [ -0.0002454600000000, -0.0038056700000000, -0.0003471000000000 ] - [ -0.0002454600000000, 0.0038056700000000, -0.0003471000000000 ] - [ -0.0022891700000000, 0.0000000000000000, 0.0014269300000000 ] - [ -0.0014895900000000, 0.0006304600000000, 0.0007233000000000 ] - [ -0.0014895900000000, -0.0006304600000000, 0.0007233000000000 ] - [ -0.0046689400000000, -0.0293407300000000, 0.0034975200000000 ] - [ -0.0046689400000000, 0.0293407300000000, 0.0034975200000000 ] - [ -0.0008911500000000, 0.0000000000000000, -0.0004702400000000 ] - [ -0.0000033100000000, 0.0019047900000000, 0.0015575700000000 ] - [ -0.0000033100000000, -0.0019047900000000, 0.0015575700000000 ] - [ 0.0006287300000000, 0.0000000000000000, 0.0001440600000000 ] - [ -0.0011620400000000, -0.0006614900000000, -0.0003425100000000 ] - [ -0.0011620400000000, 0.0006614900000000, -0.0003425100000000 ] - [ -0.0000625100000000, 0.0000000000000000, -0.0000383400000000 ] - [ 0.0038495400000000, 0.0005149100000000, 0.0025692700000000 ] - [ 0.0038495400000000, -0.0005149100000000, 0.0025692700000000 ] - [ 0.0012646300000000, 0.0000000000000000, 0.0006747000000000 ] - [ -0.0276766500000000, 0.0000000000000000, 0.0197226400000000 ] - [ -0.0015075700000000, -0.0010714900000000, -0.0002299700000000 ] - [ -0.0015075700000000, 0.0010714900000000, -0.0002299700000000 ] - [ 0.0049504600000000, 0.0000000000000000, 0.0292218200000000 ] - [ -0.0002100200000000, 0.0012859200000000, 0.0011546100000000 ] - [ -0.0002100200000000, -0.0012859200000000, 0.0011546100000000 ] - [ 0.0323439400000000, 0.0000000000000000, -0.4636052100000000 ] - [ -0.0000012500000000, -0.0003518500000000, -0.0077310400000000 ] - [ -0.0000012500000000, 0.0003518500000000, -0.0077310400000000 ] - [ -0.0023655900000000, 0.0000000000000000, 0.0081866300000000 ] - [ -0.0008460200000000, 0.0000363600000000, 0.0024077600000000 ] - [ -0.0008460200000000, -0.0000363600000000, 0.0024077600000000 ] - [ 0.0003971900000000, 0.0002449600000000, -0.0068838500000000 ] - [ 0.0003971900000000, -0.0002449600000000, -0.0068838500000000 ] - [ 0.0001801100000000, 0.0000000000000000, -0.0023368200000000 ] - [ 0.0005187800000000, 0.0001760400000000, 0.0036659300000000 ] - [ 0.0005187800000000, -0.0001760400000000, 0.0036659300000000 ] - [ 0.0005680400000000, 0.0000000000000000, 0.0024309900000000 ] - [ -0.0144215900000000, 0.0000000000000000, 0.0023754100000000 ] - [ -0.0025497700000000, 0.0019011600000000, 0.0001129500000000 ] - [ -0.0025497700000000, -0.0019011600000000, 0.0001129500000000 ] - [ -0.0010827900000000, 0.0000000000000000, 0.0052936200000000 ] - [ -0.0012989000000000, -0.0024250300000000, 0.0023789400000000 ] - [ -0.0012989000000000, 0.0024250300000000, 0.0023789400000000 ] - [ 0.0072996800000000, 0.0134547800000000, 0.0111864700000000 ] - [ 0.0072996800000000, -0.0134547800000000, 0.0111864700000000 ] - [ 0.0002747600000000, 0.0000000000000000, -0.0010881900000000 ] - [ -0.0023981700000000, -0.0018291200000000, 0.0023094800000000 ] - [ -0.0023981700000000, 0.0018291200000000, 0.0023094800000000 ] - [ -0.0002331700000000, 0.0000000000000000, 0.0007780600000000 ] - [ -0.0023848000000000, 0.0033832700000000, 0.0002967600000000 ] - [ -0.0023848000000000, -0.0033832700000000, 0.0002967600000000 ] - [ -0.0014902800000000, 0.0000000000000000, 0.0002122000000000 ] - [ 0.0007984400000000, -0.0042651900000000, 0.0012402600000000 ] - [ 0.0007984400000000, 0.0042651900000000, 0.0012402600000000 ] - [ 0.0000595500000000, 0.0000000000000000, 0.0004851500000000 ] - [ 0.0009683500000000, 0.0000000000000000, -0.0012057100000000 ] - [ 0.0011200800000000, 0.0003106300000000, -0.0006828700000000 ] - [ 0.0011200800000000, -0.0003106300000000, -0.0006828700000000 ] - [ 0.0018052600000000, 0.0000000000000000, 0.0008672800000000 ] - [ 0.0013519600000000, -0.0005502600000000, 0.0002858800000000 ] - [ 0.0013519600000000, 0.0005502600000000, 0.0002858800000000 ] - [ 0.0290798900000000, 0.0000000000000000, 0.0062276600000000 ] - [ 0.0025337300000000, 0.0006473000000000, 0.0001561400000000 ] - [ 0.0025337300000000, -0.0006473000000000, 0.0001561400000000 ] - [ -0.0031225500000000, 0.0000000000000000, 0.0033023100000000 ] - [ -0.0001492700000000, -0.0002437100000000, 0.0006198300000000 ] - [ -0.0001492700000000, 0.0002437100000000, 0.0006198300000000 ] - [ 0.0021375800000000, 0.0007016900000000, 0.0013542000000000 ] - [ 0.0021375800000000, -0.0007016900000000, 0.0013542000000000 ] - [ -0.0000025300000000, 0.0000000000000000, 0.0001481900000000 ] - [ -0.0003858800000000, -0.0001881500000000, -0.0002979800000000 ] - [ -0.0003858800000000, 0.0001881500000000, -0.0002979800000000 ] - [ -0.0003910500000000, 0.0000000000000000, -0.0001497200000000 ] - [ -0.0005756200000000, 0.0001618000000000, -0.0030779500000000 ] - [ -0.0005756200000000, -0.0001618000000000, -0.0030779500000000 ] - [ -0.0005207700000000, 0.0000000000000000, -0.0019204600000000 ] - [ 0.0000846800000000, -0.0002176800000000, 0.0026689400000000 ] - [ 0.0000846800000000, 0.0002176800000000, 0.0026689400000000 ] - [ -0.0002226800000000, 0.0000000000000000, 0.0012405800000000 ] - [ -0.0003655700000000, 0.0000000000000000, -0.0063825700000000 ] - [ 0.0006088000000000, -0.0002946500000000, -0.0018221100000000 ] - [ 0.0006088000000000, 0.0002946500000000, -0.0018221100000000 ] - [ 0.0010677800000000, 0.0000000000000000, 0.0090733700000000 ] - [ 0.0004974300000000, 0.0002434900000000, 0.0032265500000000 ] - [ 0.0004974300000000, -0.0002434900000000, 0.0032265500000000 ] - [ 0.0013217700000000, -0.0009618100000000, -0.0011155600000000 ] - [ 0.0013217700000000, 0.0009618100000000, -0.0011155600000000 ] - [ 0.0001040600000000, 0.0000000000000000, -0.0004862900000000 ] - [ -0.0002969100000000, 0.0001599000000000, 0.0016654400000000 ] - [ -0.0002969100000000, -0.0001599000000000, 0.0016654400000000 ] - [ -0.0004953900000000, 0.0000000000000000, 0.0010286700000000 ] - [ -0.0014124700000000, 0.0000000000000000, 0.0005952100000000 ] - [ 0.0002588700000000, -0.0005131000000000, -0.0001409800000000 ] - [ 0.0002588700000000, 0.0005131000000000, -0.0001409800000000 ] - [ 0.0045659700000000, 0.0000000000000000, 0.0003307400000000 ] - [ 0.0016481300000000, 0.0005320400000000, -0.0001702800000000 ] - [ 0.0016481300000000, -0.0005320400000000, -0.0001702800000000 ] - [ 0.0073767800000000, 0.0048451700000000, 0.0034177600000000 ] - [ 0.0073767800000000, -0.0048451700000000, 0.0034177600000000 ] - [ 0.0017892800000000, 0.0000000000000000, 0.0012315600000000 ] - [ -0.0007310800000000, -0.0013375200000000, -0.0071811000000000 ] - [ -0.0007310800000000, 0.0013375200000000, -0.0071811000000000 ] - [ -0.0006867100000000, 0.0000000000000000, -0.0012607600000000 ] - [ -0.0007657800000000, 0.0000000000000000, 0.0606583700000000 ] - [ 0.0014232600000000, 0.0063400900000000, 0.0035014200000000 ] - [ 0.0014232600000000, -0.0063400900000000, 0.0035014200000000 ] - [ 0.0075335700000000, 0.0000000000000000, -0.0079395200000000 ] - [ 0.0012505200000000, -0.0014054900000000, -0.0022421600000000 ] - [ 0.0012505200000000, 0.0014054900000000, -0.0022421600000000 ] - [ -0.0091245800000000, 0.0000000000000000, 0.0062475800000000 ] - [ -0.0014612100000000, -0.0005239600000000, 0.0018652800000000 ] - [ -0.0014612100000000, 0.0005239600000000, 0.0018652800000000 ] - [ 0.0006587600000000, 0.0000000000000000, -0.0054979900000000 ] - [ 0.0000026300000000, 0.0002605900000000, -0.0023663800000000 ] - [ 0.0000026300000000, -0.0002605900000000, -0.0023663800000000 ] - [ 0.0001959600000000, -0.0009771700000000, 0.0009166900000000 ] - [ 0.0001959600000000, 0.0009771700000000, 0.0009166900000000 ] - [ 0.0002340300000000, 0.0000000000000000, 0.0007386200000000 ] - [ -0.0023858900000000, 0.0015096600000000, -0.0010782700000000 ] - [ -0.0023858900000000, -0.0015096600000000, -0.0010782700000000 ] - [ -0.0011219400000000, 0.0000000000000000, -0.0005074800000000 ] - [ -0.0109281000000000, -0.0099487500000000, 0.0025240800000000 ] - [ -0.0109281000000000, 0.0099487500000000, 0.0025240800000000 ] - [ -0.0003184600000000, 0.0000000000000000, 0.0010207400000000 ] - [ 0.0025141200000000, 0.0007690700000000, -0.0036357300000000 ] - [ 0.0025141200000000, -0.0007690700000000, -0.0036357300000000 ] - [ 0.0010002300000000, 0.0000000000000000, -0.0024869900000000 ] - [ -0.0329904000000000, 0.0000000000000000, 0.3139534600000000 ] - [ -0.0032733800000000, -0.0127314900000000, 0.0065289600000000 ] - [ -0.0032733800000000, 0.0127314900000000, 0.0065289600000000 ] - [ 0.0021714600000000, 0.0000000000000000, -0.0134521700000000 ] - [ 0.0016179100000000, 0.0018086800000000, -0.0021768300000000 ] - [ 0.0016179100000000, -0.0018086800000000, -0.0021768300000000 ] - [ 0.0174807800000000, 0.0000000000000000, 0.0041983600000000 ] - [ 0.0012288600000000, 0.0027171400000000, 0.0006110000000000 ] - [ 0.0012288600000000, -0.0027171400000000, 0.0006110000000000 ] - [ -0.0148375200000000, 0.0000000000000000, -0.0150480800000000 ] - [ -0.0010954800000000, -0.0031266200000000, -0.0036828000000000 ] - [ -0.0010954800000000, 0.0031266200000000, -0.0036828000000000 ] - [ -0.0003527200000000, -0.0000172400000000, 0.0037835100000000 ] - [ -0.0003527200000000, 0.0000172400000000, 0.0037835100000000 ] - [ -0.0003851800000000, 0.0000000000000000, 0.0023592800000000 ] - [ -0.0027214400000000, -0.0003009700000000, -0.0036191500000000 ] - [ -0.0027214400000000, 0.0003009700000000, -0.0036191500000000 ] - [ -0.0010353000000000, 0.0000000000000000, -0.0012636100000000 ]- atom: 25 displacement: [ 0.0030426590634358, 0.0000000000000000, -0.0095258713944548 ] forces: - [ -0.0176271300000000, 0.0000000000000000, -0.0055915500000000 ] - [ -0.0016125300000000, 0.0037946000000000, 0.0008624900000000 ] - [ -0.0016125300000000, -0.0037946000000000, 0.0008624900000000 ] - [ 0.0004348300000000, 0.0000000000000000, -0.0009179900000000 ] - [ -0.0003606900000000, -0.0006270100000000, -0.0002147800000000 ] - [ -0.0003606900000000, 0.0006270100000000, -0.0002147800000000 ] - [ 0.0065011800000000, 0.0291163500000000, -0.0040931500000000 ] - [ 0.0065011800000000, -0.0291163500000000, -0.0040931500000000 ] - [ 0.0027373100000000, 0.0000000000000000, -0.0000437200000000 ] - [ 0.0018484100000000, -0.0019185400000000, -0.0020652300000000 ] - [ 0.0018484100000000, 0.0019185400000000, -0.0020652300000000 ] - [ 0.0012179500000000, 0.0000000000000000, -0.0006510900000000 ] - [ 0.0022865300000000, 0.0006583100000000, 0.0006340400000000 ] - [ 0.0022865300000000, -0.0006583100000000, 0.0006340400000000 ] - [ 0.0011872400000000, 0.0000000000000000, 0.0003334100000000 ] - [ -0.0027232100000000, -0.0005114800000000, -0.0022574400000000 ] - [ -0.0027232100000000, 0.0005114800000000, -0.0022574400000000 ] - [ -0.0001383600000000, 0.0000000000000000, -0.0003712400000000 ] - [ 0.0268854300000000, 0.0000000000000000, -0.0202612600000000 ] - [ 0.0003814800000000, 0.0010712600000000, -0.0000631700000000 ] - [ 0.0003814800000000, -0.0010712600000000, -0.0000631700000000 ] - [ -0.0060276200000000, 0.0000000000000000, -0.0290567000000000 ] - [ -0.0009175000000000, -0.0012831000000000, -0.0014605400000000 ] - [ -0.0009175000000000, 0.0012831000000000, -0.0014605400000000 ] - [ -0.0318287300000000, 0.0000000000000000, 0.4516789600000000 ] - [ -0.0009770900000000, 0.0003422900000000, 0.0066907400000000 ] - [ -0.0009770900000000, -0.0003422900000000, 0.0066907400000000 ] - [ 0.0013743400000000, 0.0000000000000000, -0.0091980800000000 ] - [ -0.0001370100000000, -0.0000344600000000, -0.0034211400000000 ] - [ -0.0001370100000000, 0.0000344600000000, -0.0034211400000000 ] - [ 0.0006221600000000, -0.0002132700000000, 0.0079200000000000 ] - [ 0.0006221600000000, 0.0002132700000000, 0.0079200000000000 ] - [ 0.0008032400000000, 0.0000000000000000, 0.0033503900000000 ] - [ 0.0004610300000000, -0.0001778700000000, -0.0026492400000000 ] - [ 0.0004610300000000, 0.0001778700000000, -0.0026492400000000 ] - [ 0.0004128800000000, 0.0000000000000000, -0.0014123000000000 ] - [ 0.0131705400000000, 0.0000000000000000, -0.0018957100000000 ] - [ 0.0014200200000000, -0.0019015100000000, 0.0003939100000000 ] - [ 0.0014200200000000, 0.0019015100000000, 0.0003939100000000 ] - [ -0.0000573700000000, 0.0000000000000000, -0.0047928100000000 ] - [ 0.0001658200000000, 0.0024276900000000, -0.0018631100000000 ] - [ 0.0001658200000000, -0.0024276900000000, -0.0018631100000000 ] - [ -0.0062309100000000, -0.0135577300000000, -0.0117253700000000 ] - [ -0.0062309100000000, 0.0135577300000000, -0.0117253700000000 ] - [ 0.0008505000000000, 0.0000000000000000, 0.0005807400000000 ] - [ 0.0035199100000000, 0.0018192400000000, -0.0028274700000000 ] - [ 0.0035199100000000, -0.0018192400000000, -0.0028274700000000 ] - [ 0.0013628200000000, 0.0000000000000000, -0.0012941400000000 ] - [ 0.0005365100000000, -0.0033930800000000, 0.0002156900000000 ] - [ 0.0005365100000000, 0.0033930800000000, 0.0002156900000000 ] - [ -0.0003587300000000, 0.0000000000000000, 0.0002975500000000 ] - [ -0.0026386600000000, 0.0042312600000000, -0.0007324100000000 ] - [ -0.0026386600000000, -0.0042312600000000, -0.0007324100000000 ] - [ -0.0019064700000000, 0.0000000000000000, 0.0000221700000000 ] - [ 0.0008856700000000, 0.0000000000000000, 0.0006924400000000 ] - [ 0.0007313000000000, -0.0003087200000000, 0.0001720200000000 ] - [ 0.0007313000000000, 0.0003087200000000, 0.0001720200000000 ] - [ 0.0000525600000000, 0.0000000000000000, -0.0013718300000000 ] - [ 0.0005001700000000, 0.0005510900000000, -0.0007930800000000 ] - [ 0.0005001700000000, -0.0005510900000000, -0.0007930800000000 ] - [ -0.0276336100000000, 0.0000000000000000, -0.0060507400000000 ] - [ -0.0014136200000000, -0.0006487500000000, 0.0001325700000000 ] - [ -0.0014136200000000, 0.0006487500000000, 0.0001325700000000 ] - [ 0.0042652800000000, 0.0000000000000000, -0.0030053200000000 ] - [ 0.0012717100000000, 0.0002450600000000, -0.0003193300000000 ] - [ 0.0012717100000000, -0.0002450600000000, -0.0003193300000000 ] - [ -0.0032430300000000, -0.0007024800000000, -0.0016399400000000 ] - [ -0.0032430300000000, 0.0007024800000000, -0.0016399400000000 ] - [ -0.0011135500000000, 0.0000000000000000, -0.0004421400000000 ] - [ -0.0007356500000000, 0.0001866700000000, -0.0000020600000000 ] - [ -0.0007356500000000, -0.0001866700000000, -0.0000020600000000 ] - [ -0.0007321900000000, 0.0000000000000000, -0.0001495600000000 ] - [ -0.0004031100000000, -0.0001620300000000, 0.0020573100000000 ] - [ -0.0004031100000000, 0.0001620300000000, 0.0020573100000000 ] - [ -0.0004602600000000, 0.0000000000000000, 0.0009017300000000 ] - [ -0.0010641400000000, 0.0002157100000000, -0.0036737600000000 ] - [ -0.0010641400000000, -0.0002157100000000, -0.0036737600000000 ] - [ -0.0007588100000000, 0.0000000000000000, -0.0022522600000000 ] - [ 0.0013111700000000, 0.0000000000000000, 0.0074303300000000 ] - [ 0.0003702700000000, 0.0002932600000000, 0.0028390500000000 ] - [ 0.0003702700000000, -0.0002932600000000, 0.0028390500000000 ] - [ -0.0000767500000000, 0.0000000000000000, -0.0080150200000000 ] - [ 0.0004854200000000, -0.0002409400000000, -0.0022056500000000 ] - [ 0.0004854200000000, 0.0002409400000000, -0.0022056500000000 ] - [ -0.0024446200000000, 0.0009536800000000, 0.0016221800000000 ] - [ -0.0024446200000000, -0.0009536800000000, 0.0016221800000000 ] - [ -0.0012320200000000, 0.0000000000000000, 0.0009966800000000 ] - [ -0.0008260400000000, -0.0001639500000000, -0.0011477400000000 ] - [ -0.0008260400000000, 0.0001639500000000, -0.0011477400000000 ] - [ -0.0006309600000000, 0.0000000000000000, -0.0005143100000000 ] - [ 0.0025535100000000, 0.0000000000000000, -0.0011064900000000 ] - [ 0.0008717000000000, 0.0005140400000000, -0.0003706200000000 ] - [ 0.0008717000000000, -0.0005140400000000, -0.0003706200000000 ] - [ -0.0034103500000000, 0.0000000000000000, -0.0008461500000000 ] - [ -0.0005162200000000, -0.0005279900000000, -0.0003442300000000 ] - [ -0.0005162200000000, 0.0005279900000000, -0.0003442300000000 ] - [ -0.0075028400000000, -0.0048392900000000, -0.0038503000000000 ] - [ -0.0075028400000000, 0.0048392900000000, -0.0038503000000000 ] - [ -0.0019069900000000, 0.0000000000000000, -0.0017046300000000 ] - [ 0.0006250400000000, 0.0013454100000000, 0.0066857100000000 ] - [ 0.0006250400000000, -0.0013454100000000, 0.0066857100000000 ] - [ 0.0005743900000000, 0.0000000000000000, 0.0007742200000000 ] - [ 0.0000130700000000, 0.0000000000000000, -0.0665671800000000 ] - [ -0.0013017900000000, -0.0063319400000000, -0.0030352900000000 ] - [ -0.0013017900000000, 0.0063319400000000, -0.0030352900000000 ] - [ -0.0073570700000000, 0.0000000000000000, 0.0084092300000000 ] - [ -0.0011332700000000, 0.0014002700000000, 0.0027279100000000 ] - [ -0.0011332700000000, -0.0014002700000000, 0.0027279100000000 ] - [ 0.0089959400000000, 0.0000000000000000, -0.0066966600000000 ] - [ 0.0013495500000000, 0.0005228700000000, -0.0023398800000000 ] - [ 0.0013495500000000, -0.0005228700000000, -0.0023398800000000 ] - [ -0.0007875900000000, 0.0000000000000000, 0.0049960900000000 ] - [ -0.0001211600000000, -0.0002629100000000, 0.0018803300000000 ] - [ -0.0001211600000000, 0.0002629100000000, 0.0018803300000000 ] - [ -0.0000933400000000, 0.0009800100000000, -0.0004386500000000 ] - [ -0.0000933400000000, -0.0009800100000000, -0.0004386500000000 ] - [ -0.0001230100000000, 0.0000000000000000, -0.0002586400000000 ] - [ 0.0024898000000000, -0.0014994700000000, 0.0015575300000000 ] - [ 0.0024898000000000, 0.0014994700000000, 0.0015575300000000 ] - [ 0.0012346100000000, 0.0000000000000000, 0.0009871800000000 ] - [ 0.0114376800000000, 0.0098975900000000, -0.0043103000000000 ] - [ 0.0114376800000000, -0.0098975900000000, -0.0043103000000000 ] - [ 0.0008441600000000, 0.0000000000000000, -0.0027145300000000 ] - [ -0.0019758500000000, -0.0007642300000000, 0.0019502400000000 ] - [ -0.0019758500000000, 0.0007642300000000, 0.0019502400000000 ] - [ -0.0004674200000000, 0.0000000000000000, 0.0008005100000000 ] - [ 0.0315320400000000, 0.0000000000000000, -0.2947165300000000 ] - [ 0.0027304200000000, 0.0127340400000000, -0.0047941600000000 ] - [ 0.0027304200000000, -0.0127340400000000, -0.0047941600000000 ] - [ -0.0026961800000000, 0.0000000000000000, 0.0151523100000000 ] - [ -0.0021468500000000, -0.0018189200000000, 0.0038556900000000 ] - [ -0.0021468500000000, 0.0018189200000000, 0.0038556900000000 ] - [ -0.0169709800000000, 0.0000000000000000, -0.0059972200000000 ] - [ -0.0006921800000000, -0.0027210900000000, -0.0023070900000000 ] - [ -0.0006921800000000, 0.0027210900000000, -0.0023070900000000 ] - [ 0.0152287300000000, 0.0000000000000000, 0.0133155800000000 ] - [ 0.0016305000000000, 0.0031037000000000, 0.0020012900000000 ] - [ 0.0016305000000000, -0.0031037000000000, 0.0020012900000000 ] - [ -0.0001870300000000, 0.0000188600000000, -0.0020872500000000 ] - [ -0.0001870300000000, -0.0000188600000000, -0.0020872500000000 ] - [ -0.0001504100000000, 0.0000000000000000, -0.0006673100000000 ] - [ 0.0021754200000000, 0.0003044800000000, 0.0052844100000000 ] - [ 0.0021754200000000, -0.0003044800000000, 0.0052844100000000 ] - [ 0.0004969600000000, 0.0000000000000000, 0.0029421500000000 ]- atom: 37 displacement: [ 0.0099999992707097, 0.0000000000000000, -0.0000038191367309 ] forces: - [ -0.0033757500000000, 0.0000000000000000, -0.0002780400000000 ] - [ -0.0016523900000000, -0.0008201200000000, 0.0003559800000000 ] - [ -0.0016523900000000, 0.0008201200000000, 0.0003559800000000 ] - [ 0.0076145200000000, 0.0000000000000000, -0.0097842400000000 ] - [ -0.0015132800000000, -0.0026573100000000, 0.0001053600000000 ] - [ -0.0015132800000000, 0.0026573100000000, 0.0001053600000000 ] - [ 0.0085128700000000, -0.0262825100000000, -0.0028021600000000 ] - [ 0.0085128700000000, 0.0262825100000000, -0.0028021600000000 ] - [ -0.0015867000000000, 0.0000000000000000, 0.0004340800000000 ] - [ 0.0005709700000000, -0.0001863300000000, -0.0006304000000000 ] - [ 0.0005709700000000, 0.0001863300000000, -0.0006304000000000 ] - [ 0.0008164600000000, 0.0000000000000000, -0.0004596500000000 ] - [ 0.0129685700000000, 0.0087230700000000, 0.0001923700000000 ] - [ 0.0129685700000000, -0.0087230700000000, 0.0001923700000000 ] - [ 0.0000535800000000, 0.0000000000000000, 0.0003798900000000 ] - [ 0.0009783900000000, 0.0000548300000000, 0.0004235700000000 ] - [ 0.0009783900000000, -0.0000548300000000, 0.0004235700000000 ] - [ 0.0007722400000000, 0.0000000000000000, 0.0000860400000000 ] - [ 0.0006357400000000, 0.0000000000000000, -0.0016315100000000 ] - [ -0.0002975100000000, 0.0000602500000000, -0.0006370200000000 ] - [ -0.0002975100000000, -0.0000602500000000, -0.0006370200000000 ] - [ 0.0170783100000000, 0.0000000000000000, 0.0177512400000000 ] - [ -0.0013921500000000, 0.0003390400000000, 0.0009121500000000 ] - [ -0.0013921500000000, -0.0003390400000000, 0.0009121500000000 ] - [ -0.0007996500000000, 0.0000000000000000, -0.0152233000000000 ] - [ -0.0006204300000000, 0.0006853400000000, -0.0026359000000000 ] - [ -0.0006204300000000, -0.0006853400000000, -0.0026359000000000 ] - [ -0.0020661800000000, 0.0000000000000000, -0.0015672700000000 ] - [ -0.0010715300000000, -0.0004600900000000, -0.0014683100000000 ] - [ -0.0010715300000000, 0.0004600900000000, -0.0014683100000000 ] - [ -0.0021964400000000, 0.0038905800000000, 0.0067881000000000 ] - [ -0.0021964400000000, -0.0038905800000000, 0.0067881000000000 ] - [ -0.0000408800000000, 0.0000000000000000, 0.0000316900000000 ] - [ 0.0005758400000000, 0.0006852800000000, -0.0025837800000000 ] - [ 0.0005758400000000, -0.0006852800000000, -0.0025837800000000 ] - [ 0.0005240900000000, 0.0000000000000000, -0.0003259100000000 ] - [ -0.1454636300000000, 0.0000000000000000, 0.0059137300000000 ] - [ -0.0035516900000000, -0.0001069200000000, 0.0013597000000000 ] - [ -0.0035516900000000, 0.0001069200000000, 0.0013597000000000 ] - [ -0.0009360100000000, 0.0000000000000000, -0.0006675300000000 ] - [ -0.0007157500000000, -0.0000352200000000, -0.0003603400000000 ] - [ -0.0007157500000000, 0.0000352200000000, -0.0003603400000000 ] - [ -0.0004712600000000, -0.0006206200000000, -0.0014964300000000 ] - [ -0.0004712600000000, 0.0006206200000000, -0.0014964300000000 ] - [ 0.0002148500000000, 0.0000000000000000, -0.0008898000000000 ] - [ -0.0041718300000000, 0.0069554900000000, -0.0044554600000000 ] - [ -0.0041718300000000, -0.0069554900000000, -0.0044554600000000 ] - [ -0.0007135000000000, 0.0000000000000000, 0.0004510100000000 ] - [ -0.0003246200000000, -0.0004897400000000, 0.0003122600000000 ] - [ -0.0003246200000000, 0.0004897400000000, 0.0003122600000000 ] - [ -0.0006440100000000, 0.0000000000000000, 0.0002468900000000 ] - [ 0.0002879400000000, -0.0030131200000000, 0.0008711000000000 ] - [ 0.0002879400000000, 0.0030131200000000, 0.0008711000000000 ] - [ -0.0001475800000000, 0.0000000000000000, 0.0003672500000000 ] - [ 0.0034913600000000, 0.0000000000000000, -0.0004949200000000 ] - [ 0.0024796900000000, -0.0018833700000000, -0.0003273800000000 ] - [ 0.0024796900000000, 0.0018833700000000, -0.0003273800000000 ] - [ 0.0015163700000000, 0.0000000000000000, 0.0000680700000000 ] - [ 0.0011667400000000, 0.0000063100000000, -0.0001154800000000 ] - [ 0.0011667400000000, -0.0000063100000000, -0.0001154800000000 ] - [ 0.0193161000000000, 0.0000000000000000, 0.0124908000000000 ] - [ 0.0021994600000000, 0.0005718900000000, 0.0006582100000000 ] - [ 0.0021994600000000, -0.0005718900000000, 0.0006582100000000 ] - [ 0.0000314000000000, 0.0000000000000000, 0.0000194500000000 ] - [ 0.0002081600000000, 0.0000386400000000, 0.0000585900000000 ] - [ 0.0002081600000000, -0.0000386400000000, 0.0000585900000000 ] - [ -0.0003354200000000, -0.0000035200000000, 0.0004632700000000 ] - [ -0.0003354200000000, 0.0000035200000000, 0.0004632700000000 ] - [ -0.0006338600000000, 0.0000000000000000, -0.0000195000000000 ] - [ 0.0024713300000000, 0.0001027200000000, -0.0004610100000000 ] - [ 0.0024713300000000, -0.0001027200000000, -0.0004610100000000 ] - [ 0.0002485900000000, 0.0000000000000000, -0.0001886700000000 ] - [ 0.0000347700000000, 0.0002764400000000, 0.0016420800000000 ] - [ 0.0000347700000000, -0.0002764400000000, 0.0016420800000000 ] - [ -0.0003938500000000, 0.0000000000000000, 0.0002298800000000 ] - [ 0.0002989200000000, -0.0001990500000000, 0.0000258500000000 ] - [ 0.0002989200000000, 0.0001990500000000, 0.0000258500000000 ] - [ -0.0001408800000000, 0.0000000000000000, -0.0003223700000000 ] - [ 0.0024248000000000, 0.0000000000000000, -0.0009766700000000 ] - [ 0.0011187800000000, 0.0000712300000000, 0.0003771800000000 ] - [ 0.0011187800000000, -0.0000712300000000, 0.0003771800000000 ] - [ 0.0007696200000000, 0.0000000000000000, 0.0047951200000000 ] - [ 0.0004990300000000, 0.0002021500000000, 0.0016467000000000 ] - [ 0.0004990300000000, -0.0002021500000000, 0.0016467000000000 ] - [ 0.0027421800000000, -0.0006420700000000, -0.0005853500000000 ] - [ 0.0027421800000000, 0.0006420700000000, -0.0005853500000000 ] - [ 0.0007379400000000, 0.0000000000000000, -0.0000614600000000 ] - [ -0.0002127700000000, -0.0002173400000000, 0.0007915200000000 ] - [ -0.0002127700000000, 0.0002173400000000, 0.0007915200000000 ] - [ -0.0004346800000000, 0.0000000000000000, 0.0005496500000000 ] - [ 0.0012524800000000, 0.0000000000000000, 0.0002024900000000 ] - [ 0.0008639000000000, -0.0000573000000000, 0.0001045300000000 ] - [ 0.0008639000000000, 0.0000573000000000, 0.0001045300000000 ] - [ 0.0053508300000000, 0.0000000000000000, 0.0000104900000000 ] - [ 0.0019266300000000, 0.0001985000000000, -0.0004775400000000 ] - [ 0.0019266300000000, -0.0001985000000000, -0.0004775400000000 ] - [ 0.0193058900000000, -0.0099873200000000, -0.0020960200000000 ] - [ 0.0193058900000000, 0.0099873200000000, -0.0020960200000000 ] - [ 0.0022252800000000, 0.0000000000000000, -0.0005311000000000 ] - [ 0.0002625500000000, -0.0000298600000000, 0.0019182400000000 ] - [ 0.0002625500000000, 0.0000298600000000, 0.0019182400000000 ] - [ -0.0000104200000000, 0.0000000000000000, 0.0006407000000000 ] - [ 0.0014569700000000, 0.0000000000000000, 0.0074734700000000 ] - [ 0.0005808300000000, -0.0003119700000000, 0.0020510300000000 ] - [ 0.0005808300000000, 0.0003119700000000, 0.0020510300000000 ] - [ 0.0203748000000000, 0.0000000000000000, 0.0105001400000000 ] - [ 0.0027467200000000, 0.0022202500000000, -0.0007155800000000 ] - [ 0.0027467200000000, -0.0022202500000000, -0.0007155800000000 ] - [ -0.0089779700000000, 0.0000000000000000, 0.0017309500000000 ] - [ -0.0026955100000000, -0.0001614900000000, 0.0001228200000000 ] - [ -0.0026955100000000, 0.0001614900000000, 0.0001228200000000 ] - [ -0.0004584500000000, 0.0000000000000000, -0.0024065800000000 ] - [ -0.0001338400000000, -0.0001268000000000, -0.0010743400000000 ] - [ -0.0001338400000000, 0.0001268000000000, -0.0010743400000000 ] - [ -0.0007301000000000, 0.0000120900000000, -0.0014337500000000 ] - [ -0.0007301000000000, -0.0000120900000000, -0.0014337500000000 ] - [ -0.0001829700000000, 0.0000000000000000, -0.0004245600000000 ] - [ -0.0035132300000000, 0.0012401200000000, 0.0004347700000000 ] - [ -0.0035132300000000, -0.0012401200000000, 0.0004347700000000 ] - [ -0.0014957100000000, 0.0000000000000000, 0.0004044100000000 ] - [ 0.0028009100000000, 0.0000998300000000, -0.0040747900000000 ] - [ 0.0028009100000000, -0.0000998300000000, -0.0040747900000000 ] - [ 0.0008492000000000, 0.0000000000000000, -0.0003648000000000 ] - [ -0.0027556700000000, -0.0072754600000000, 0.0048160500000000 ] - [ -0.0027556700000000, 0.0072754600000000, 0.0048160500000000 ] - [ 0.0003974400000000, 0.0000000000000000, -0.0005374200000000 ] - [ 0.0370878500000000, 0.0000000000000000, -0.0132785800000000 ] - [ 0.0011435500000000, -0.0079329900000000, 0.0006800500000000 ] - [ 0.0011435500000000, 0.0079329900000000, 0.0006800500000000 ] - [ 0.0011377400000000, 0.0000000000000000, 0.0028047000000000 ] - [ 0.0003874400000000, 0.0000059600000000, 0.0019975100000000 ] - [ 0.0003874400000000, -0.0000059600000000, 0.0019975100000000 ] - [ -0.0021488400000000, 0.0000000000000000, 0.0002492400000000 ] - [ -0.0005531500000000, -0.0002586700000000, -0.0006450300000000 ] - [ -0.0005531500000000, 0.0002586700000000, -0.0006450300000000 ] - [ -0.0064061000000000, 0.0000000000000000, -0.0088346400000000 ] - [ -0.0005204600000000, -0.0021362300000000, -0.0024673600000000 ] - [ -0.0005204600000000, 0.0021362300000000, -0.0024673600000000 ] - [ -0.0099184400000000, -0.0015423400000000, -0.0020873500000000 ] - [ -0.0099184400000000, 0.0015423400000000, -0.0020873500000000 ] - [ -0.0010458300000000, 0.0000000000000000, 0.0003211800000000 ] - [ -0.0015134600000000, 0.0002338300000000, -0.0001754900000000 ] - [ -0.0015134600000000, -0.0002338300000000, -0.0001754900000000 ] - [ -0.0008173400000000, 0.0000000000000000, 0.0005104300000000 ]- atom: 37 displacement: [ -0.0099999992707097, 0.0000000000000000, 0.0000038191367309 ] forces: - [ 0.0014903700000000, 0.0000000000000000, 0.0007813100000000 ] - [ -0.0002074100000000, 0.0008131100000000, 0.0001577700000000 ] - [ -0.0002074100000000, -0.0008131100000000, 0.0001577700000000 ] - [ -0.0094958400000000, 0.0000000000000000, 0.0103842100000000 ] - [ -0.0003210500000000, 0.0026286700000000, 0.0004084900000000 ] - [ -0.0003210500000000, -0.0026286700000000, 0.0004084900000000 ] - [ -0.0066139100000000, 0.0258598800000000, 0.0022656400000000 ] - [ -0.0066139100000000, -0.0258598800000000, 0.0022656400000000 ] - [ 0.0034075100000000, 0.0000000000000000, -0.0009366500000000 ] - [ 0.0012817300000000, 0.0001861500000000, 0.0001118600000000 ] - [ 0.0012817300000000, -0.0001861500000000, 0.0001118600000000 ] - [ 0.0010366300000000, 0.0000000000000000, -0.0000562000000000 ] - [ -0.0118870400000000, -0.0088030800000000, 0.0001286200000000 ] - [ -0.0118870400000000, 0.0088030800000000, 0.0001286200000000 ] - [ 0.0010679600000000, 0.0000000000000000, -0.0000757700000000 ] - [ 0.0001416200000000, -0.0000542500000000, -0.0001216100000000 ] - [ 0.0001416200000000, 0.0000542500000000, -0.0001216100000000 ] - [ 0.0003489900000000, 0.0000000000000000, 0.0002125100000000 ] - [ -0.0017373100000000, 0.0000000000000000, 0.0013087400000000 ] - [ -0.0008188500000000, -0.0000593200000000, 0.0003306100000000 ] - [ -0.0008188500000000, 0.0000593200000000, 0.0003306100000000 ] - [ -0.0180664500000000, 0.0000000000000000, -0.0177758100000000 ] - [ 0.0002596400000000, -0.0003412100000000, -0.0012008300000000 ] - [ 0.0002596400000000, 0.0003412100000000, -0.0012008300000000 ] - [ -0.0001976700000000, 0.0000000000000000, 0.0139449100000000 ] - [ -0.0003647700000000, -0.0006809100000000, 0.0016205100000000 ] - [ -0.0003647700000000, 0.0006809100000000, 0.0016205100000000 ] - [ 0.0010755700000000, 0.0000000000000000, 0.0005234100000000 ] - [ 0.0000833400000000, 0.0004486700000000, 0.0004446900000000 ] - [ 0.0000833400000000, -0.0004486700000000, 0.0004446900000000 ] - [ 0.0031859100000000, -0.0038444400000000, -0.0056947200000000 ] - [ 0.0031859100000000, 0.0038444400000000, -0.0056947200000000 ] - [ 0.0010204300000000, 0.0000000000000000, 0.0009664800000000 ] - [ 0.0004102700000000, -0.0006856900000000, 0.0035723600000000 ] - [ 0.0004102700000000, 0.0006856900000000, 0.0035723600000000 ] - [ 0.0004587200000000, 0.0000000000000000, 0.0013238000000000 ] - [ 0.1402429600000000, 0.0000000000000000, -0.0043854700000000 ] - [ 0.0024050500000000, 0.0000906500000000, -0.0008329200000000 ] - [ 0.0024050500000000, -0.0000906500000000, -0.0008329200000000 ] - [ -0.0001866900000000, 0.0000000000000000, 0.0011665600000000 ] - [ -0.0004076700000000, 0.0000367100000000, 0.0008632800000000 ] - [ -0.0004076700000000, -0.0000367100000000, 0.0008632800000000 ] - [ 0.0015817500000000, 0.0006105200000000, 0.0009713300000000 ] - [ 0.0015817500000000, -0.0006105200000000, 0.0009713300000000 ] - [ 0.0009039800000000, 0.0000000000000000, 0.0003748000000000 ] - [ 0.0053482000000000, -0.0067636300000000, 0.0038052100000000 ] - [ 0.0053482000000000, 0.0067636300000000, 0.0038052100000000 ] - [ 0.0018285500000000, 0.0000000000000000, -0.0009549600000000 ] - [ -0.0015236700000000, 0.0004819200000000, 0.0001968400000000 ] - [ -0.0015236700000000, -0.0004819200000000, 0.0001968400000000 ] - [ -0.0012059400000000, 0.0000000000000000, 0.0002630700000000 ] - [ -0.0021389000000000, 0.0029963300000000, -0.0003495300000000 ] - [ -0.0021389000000000, -0.0029963300000000, -0.0003495300000000 ] - [ -0.0017028000000000, 0.0000000000000000, 0.0001473000000000 ] - [ -0.0016262800000000, 0.0000000000000000, -0.0000144900000000 ] - [ -0.0006227700000000, 0.0018890200000000, -0.0001834000000000 ] - [ -0.0006227700000000, -0.0018890200000000, -0.0001834000000000 ] - [ 0.0003414300000000, 0.0000000000000000, -0.0005799300000000 ] - [ 0.0006879700000000, -0.0000063000000000, -0.0003965800000000 ] - [ 0.0006879700000000, 0.0000063000000000, -0.0003965800000000 ] - [ -0.0178974500000000, 0.0000000000000000, -0.0119640600000000 ] - [ -0.0010757500000000, -0.0005689100000000, -0.0003541800000000 ] - [ -0.0010757500000000, 0.0005689100000000, -0.0003541800000000 ] - [ 0.0010791800000000, 0.0000000000000000, 0.0002690600000000 ] - [ 0.0008998800000000, -0.0000381600000000, 0.0002338200000000 ] - [ 0.0008998800000000, 0.0000381600000000, 0.0002338200000000 ] - [ -0.0007709000000000, 0.0000021500000000, -0.0007564100000000 ] - [ -0.0007709000000000, -0.0000021500000000, -0.0007564100000000 ] - [ -0.0004797500000000, 0.0000000000000000, -0.0002781500000000 ] - [ -0.0035568300000000, -0.0001018200000000, 0.0001800600000000 ] - [ -0.0035568300000000, 0.0001018200000000, 0.0001800600000000 ] - [ -0.0013557400000000, 0.0000000000000000, -0.0001046500000000 ] - [ -0.0010126700000000, -0.0002780900000000, -0.0026422500000000 ] - [ -0.0010126700000000, 0.0002780900000000, -0.0026422500000000 ] - [ -0.0005868600000000, 0.0000000000000000, -0.0012286900000000 ] - [ -0.0012762600000000, 0.0001977200000000, -0.0010239100000000 ] - [ -0.0012762600000000, -0.0001977200000000, -0.0010239100000000 ] - [ -0.0008385700000000, 0.0000000000000000, -0.0006789200000000 ] - [ -0.0014245600000000, 0.0000000000000000, 0.0019505900000000 ] - [ -0.0001332700000000, -0.0000694200000000, 0.0006144400000000 ] - [ -0.0001332700000000, 0.0000694200000000, 0.0006144400000000 ] - [ 0.0002155200000000, 0.0000000000000000, -0.0037612600000000 ] - [ 0.0004826200000000, -0.0002010800000000, -0.0006377700000000 ] - [ 0.0004826200000000, 0.0002010800000000, -0.0006377700000000 ] - [ -0.0038465000000000, 0.0006331500000000, 0.0010969800000000 ] - [ -0.0038465000000000, -0.0006331500000000, 0.0010969800000000 ] - [ -0.0018535100000000, 0.0000000000000000, 0.0005719100000000 ] - [ -0.0009068700000000, 0.0002157600000000, -0.0002812400000000 ] - [ -0.0009068700000000, -0.0002157600000000, -0.0002812400000000 ] - [ -0.0006857100000000, 0.0000000000000000, -0.0000405800000000 ] - [ -0.0001234000000000, 0.0000000000000000, -0.0007148200000000 ] - [ 0.0002607200000000, 0.0000580200000000, -0.0006156100000000 ] - [ 0.0002607200000000, -0.0000580200000000, -0.0006156100000000 ] - [ -0.0041943900000000, 0.0000000000000000, -0.0005049000000000 ] - [ -0.0007969700000000, -0.0001964500000000, -0.0000284600000000 ] - [ -0.0007969700000000, 0.0001964500000000, -0.0000284600000000 ] - [ -0.0193188600000000, 0.0097782200000000, 0.0015569800000000 ] - [ -0.0193188600000000, -0.0097782200000000, 0.0015569800000000 ] - [ -0.0023254900000000, 0.0000000000000000, 0.0000552900000000 ] - [ -0.0003746600000000, 0.0000307700000000, -0.0023716300000000 ] - [ -0.0003746600000000, -0.0000307700000000, -0.0023716300000000 ] - [ -0.0001033300000000, 0.0000000000000000, -0.0011036600000000 ] - [ -0.0013291300000000, 0.0000000000000000, -0.0069009000000000 ] - [ -0.0004624100000000, 0.0003069000000000, -0.0015650400000000 ] - [ -0.0004624100000000, -0.0003069000000000, -0.0015650400000000 ] - [ -0.0202799200000000, 0.0000000000000000, -0.0098472900000000 ] - [ -0.0026023800000000, -0.0021566000000000, 0.0011785200000000 ] - [ -0.0026023800000000, 0.0021566000000000, 0.0011785200000000 ] - [ 0.0087925600000000, 0.0000000000000000, -0.0021970200000000 ] - [ 0.0025725400000000, 0.0001559900000000, -0.0005941400000000 ] - [ 0.0025725400000000, -0.0001559900000000, -0.0005941400000000 ] - [ 0.0003447200000000, 0.0000000000000000, 0.0019280500000000 ] - [ 0.0000227200000000, 0.0001261400000000, 0.0006010200000000 ] - [ 0.0000227200000000, -0.0001261400000000, 0.0006010200000000 ] - [ 0.0008340000000000, -0.0000100900000000, 0.0019051400000000 ] - [ 0.0008340000000000, 0.0000100900000000, 0.0019051400000000 ] - [ 0.0002919800000000, 0.0000000000000000, 0.0008953300000000 ] - [ 0.0036053000000000, -0.0012317800000000, 0.0000291000000000 ] - [ 0.0036053000000000, 0.0012317800000000, 0.0000291000000000 ] - [ 0.0015985900000000, 0.0000000000000000, 0.0000634600000000 ] - [ -0.0022444600000000, -0.0000903700000000, 0.0023400600000000 ] - [ -0.0022444600000000, 0.0000903700000000, 0.0023400600000000 ] - [ -0.0003135800000000, 0.0000000000000000, -0.0013201600000000 ] - [ 0.0031870500000000, 0.0072634800000000, -0.0064976700000000 ] - [ 0.0031870500000000, -0.0072634800000000, -0.0064976700000000 ] - [ 0.0001297300000000, 0.0000000000000000, -0.0011556100000000 ] - [ -0.0341495600000000, 0.0000000000000000, 0.0137787900000000 ] - [ -0.0016431800000000, 0.0078907700000000, 0.0009940000000000 ] - [ -0.0016431800000000, -0.0078907700000000, 0.0009940000000000 ] - [ -0.0016615800000000, 0.0000000000000000, -0.0010720600000000 ] - [ -0.0009131400000000, -0.0000054000000000, -0.0002875000000000 ] - [ -0.0009131400000000, 0.0000054000000000, -0.0002875000000000 ] - [ 0.0026591500000000, 0.0000000000000000, -0.0019067400000000 ] - [ 0.0010842600000000, 0.0002523700000000, -0.0010303700000000 ] - [ 0.0010842600000000, -0.0002523700000000, -0.0010303700000000 ] - [ 0.0069468800000000, 0.0000000000000000, 0.0070649000000000 ] - [ 0.0010577000000000, 0.0021242500000000, 0.0007666000000000 ] - [ 0.0010577000000000, -0.0021242500000000, 0.0007666000000000 ] - [ 0.0093592800000000, 0.0015462800000000, 0.0037609900000000 ] - [ 0.0093592800000000, -0.0015462800000000, 0.0037609900000000 ] - [ 0.0005009400000000, 0.0000000000000000, 0.0013586600000000 ] - [ 0.0009700900000000, -0.0002311800000000, 0.0018562100000000 ] - [ 0.0009700900000000, 0.0002311800000000, 0.0018562100000000 ] - [ 0.0002781400000000, 0.0000000000000000, 0.0011750000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009183900000000, -0.0051871400000000, 0.0002577500000000 ] - [ -0.0009484100000000, 0.0025085200000000, -0.0002814200000000 ] - [ -0.0009040100000000, 0.0025069600000000, 0.0007915600000000 ] - [ -0.0009039300000000, -0.0071326900000000, 0.0002429200000000 ] - [ -0.0034129300000000, 0.0043180600000000, 0.0007341500000000 ] - [ 0.0015532100000000, 0.0043157700000000, -0.0002231200000000 ] - [ -0.0277862700000000, 0.0256255900000000, 0.0066769000000000 ] - [ 0.0301349500000000, 0.0259447600000000, -0.0073115300000000 ] - [ 0.0009246400000000, 0.0101091000000000, -0.0002535100000000 ] - [ 0.0006065300000000, -0.0008490200000000, -0.0003730800000000 ] - [ 0.0012488300000000, -0.0008572900000000, -0.0001385500000000 ] - [ 0.0009268800000000, 0.0017086800000000, -0.0002558100000000 ] - [ 0.0116623900000000, 0.0037743900000000, 0.0005217800000000 ] - [ -0.0106089700000000, 0.0037951600000000, -0.0002177000000000 ] - [ 0.0005561100000000, 0.0010282500000000, 0.0001484300000000 ] - [ 0.0010099800000000, -0.0001166100000000, 0.0012039900000000 ] - [ 0.0001034300000000, -0.0001173400000000, -0.0009127000000000 ] - [ 0.0005584600000000, 0.0003932600000000, 0.0001483400000000 ] - [ -0.0005617400000000, -0.0003496100000000, -0.0001454300000000 ] - [ -0.0001858600000000, 0.0001891600000000, -0.0001697100000000 ] - [ -0.0009284900000000, 0.0001902700000000, -0.0001287400000000 ] - [ -0.0006764300000000, -0.0065778900000000, -0.0002274300000000 ] - [ 0.0013437500000000, 0.0013206200000000, 0.0009687300000000 ] - [ -0.0024523000000000, 0.0013235300000000, -0.0012589500000000 ] - [ -0.0004866600000000, -0.0018538100000000, -0.0004477300000000 ] - [ -0.0002261200000000, 0.0012417600000000, -0.0024187700000000 ] - [ -0.0007559100000000, 0.0012414700000000, 0.0014048500000000 ] - [ -0.0004863800000000, -0.0018663300000000, -0.0005104000000000 ] - [ -0.0002539300000000, 0.0014401400000000, 0.0021259800000000 ] - [ -0.0007255600000000, 0.0014371100000000, -0.0031193500000000 ] - [ 0.0020556800000000, 0.0057958100000000, 0.0151360600000000 ] - [ -0.0010894200000000, 0.0058348200000000, -0.0142253300000000 ] - [ 0.0004904900000000, 0.0011192700000000, 0.0004986600000000 ] - [ 0.0007703700000000, -0.0003573000000000, -0.0013204000000000 ] - [ 0.0002084200000000, -0.0003607000000000, 0.0023312100000000 ] - [ 0.0004904100000000, 0.0006296600000000, 0.0005052700000000 ] - [ 0.0000971300000000, -0.1980359000000000, 0.0006853400000000 ] - [ -0.0004632800000000, 0.0047603500000000, 0.0000650300000000 ] - [ -0.0006604100000000, 0.0047477600000000, 0.0004531800000000 ] - [ -0.0005597900000000, -0.0009857400000000, 0.0002556200000000 ] - [ -0.0005264900000000, 0.0004949100000000, 0.0002969300000000 ] - [ -0.0005985000000000, 0.0004966300000000, 0.0002141100000000 ] - [ -0.0000504500000000, -0.0005501300000000, 0.0002949600000000 ] - [ 0.0011805800000000, -0.0005580200000000, -0.0008035200000000 ] - [ 0.0005619400000000, 0.0011497800000000, -0.0002567500000000 ] - [ 0.0073796900000000, 0.0197632800000000, -0.0222707900000000 ] - [ -0.0063236600000000, 0.0199312500000000, 0.0220937900000000 ] - [ 0.0005616200000000, 0.0024596500000000, -0.0002532700000000 ] - [ -0.0007154500000000, -0.0004955600000000, 0.0003434700000000 ] - [ -0.0011389600000000, -0.0005029200000000, 0.0001679600000000 ] - [ -0.0009266500000000, 0.0009995300000000, 0.0002556900000000 ] - [ -0.0009318500000000, -0.0009763500000000, -0.0000191200000000 ] - [ -0.0009283400000000, -0.0010145800000000, 0.0005303900000000 ] - [ -0.0009283100000000, 0.0020968600000000, 0.0002576700000000 ] - [ 0.0009212900000000, -0.0039056100000000, -0.0002549400000000 ] - [ 0.0006430800000000, 0.0019803600000000, -0.0003468500000000 ] - [ 0.0012071000000000, 0.0019804200000000, -0.0001646200000000 ] - [ 0.0009245600000000, -0.0012564100000000, -0.0002580900000000 ] - [ 0.0009889000000000, 0.0006253600000000, -0.0003020000000000 ] - [ 0.0008636300000000, 0.0006286300000000, -0.0002115000000000 ] - [ 0.0004958100000000, -0.0001804500000000, 0.0000999400000000 ] - [ 0.0025488000000000, 0.0009551200000000, 0.0010462800000000 ] - [ -0.0014165300000000, 0.0009536400000000, -0.0007383000000000 ] - [ 0.0005609500000000, -0.0002137600000000, 0.0001484200000000 ] - [ 0.0008602800000000, 0.0001021800000000, 0.0003318300000000 ] - [ 0.0002583300000000, 0.0001032200000000, -0.0000339700000000 ] - [ 0.0007877000000000, -0.0001988400000000, 0.0008371800000000 ] - [ -0.0019089000000000, -0.0002001900000000, -0.0011391900000000 ] - [ -0.0005605600000000, 0.0003350400000000, -0.0001506700000000 ] - [ 0.0019562600000000, -0.0002896000000000, 0.0003090400000000 ] - [ -0.0030912800000000, -0.0002922600000000, -0.0006074800000000 ] - [ -0.0005621900000000, 0.0005866200000000, -0.0001496500000000 ] - [ -0.0001115100000000, -0.0001346400000000, 0.0006219100000000 ] - [ -0.0008724400000000, -0.0001351400000000, -0.0016312400000000 ] - [ -0.0004913800000000, 0.0004100600000000, -0.0005027600000000 ] - [ -0.0002639600000000, -0.0001421200000000, -0.0006024000000000 ] - [ -0.0007214800000000, -0.0001453400000000, -0.0004101100000000 ] - [ -0.0004914800000000, 0.0002847000000000, -0.0005033600000000 ] - [ 0.0004855200000000, -0.0003783000000000, 0.0005071700000000 ] - [ 0.0006724100000000, 0.0001951900000000, 0.0000177600000000 ] - [ 0.0003105600000000, 0.0001966800000000, 0.0009803000000000 ] - [ 0.0004898800000000, -0.0003133500000000, 0.0004834500000000 ] - [ 0.0006182500000000, 0.0001613900000000, 0.0010983500000000 ] - [ 0.0003645900000000, 0.0001644000000000, -0.0000949500000000 ] - [ 0.0000687200000000, -0.0004572200000000, 0.0000231500000000 ] - [ -0.0012060100000000, -0.0004673500000000, 0.0004931500000000 ] - [ -0.0005621000000000, 0.0009902900000000, 0.0002565400000000 ] - [ -0.0003467800000000, -0.0002387900000000, 0.0002991300000000 ] - [ -0.0007800500000000, -0.0002428300000000, 0.0002073300000000 ] - [ -0.0005618600000000, 0.0004845300000000, 0.0002544200000000 ] - [ 0.0005598900000000, -0.0006846900000000, -0.0002564200000000 ] - [ 0.0005032800000000, 0.0003429900000000, -0.0003760600000000 ] - [ 0.0006199900000000, 0.0003445300000000, -0.0001371000000000 ] - [ 0.0005432700000000, -0.0011017500000000, -0.0002542800000000 ] - [ 0.0007589500000000, 0.0004836900000000, -0.0001039400000000 ] - [ 0.0003639200000000, 0.0004889100000000, -0.0004038100000000 ] - [ -0.0006785400000000, 0.0253905100000000, -0.0010338000000000 ] - [ -0.0002062800000000, 0.0290330800000000, 0.0000833100000000 ] - [ -0.0000535600000000, -0.0044111800000000, -0.0002348400000000 ] - [ 0.0002813300000000, 0.0004485900000000, 0.0002825600000000 ] - [ -0.0003949900000000, 0.0004509300000000, -0.0007569400000000 ] - [ -0.0000564300000000, -0.0008945200000000, -0.0002357600000000 ] - [ 0.0000505800000000, 0.0016198200000000, 0.0002135900000000 ] - [ -0.0001840900000000, -0.0007923500000000, 0.0015717600000000 ] - [ 0.0002945300000000, -0.0007967000000000, -0.0010939900000000 ] - [ 0.0000072100000000, 0.0233316100000000, 0.0002228900000000 ] - [ -0.0011871400000000, -0.0072163000000000, -0.0008552300000000 ] - [ 0.0012935900000000, -0.0072190100000000, 0.0013225400000000 ] - [ -0.0000302500000000, 0.0015911400000000, -0.0002453500000000 ] - [ -0.0008843500000000, -0.0007531800000000, -0.0000656500000000 ] - [ 0.0007686500000000, -0.0007587900000000, -0.0004071800000000 ] - [ -0.0000542100000000, 0.0006221900000000, -0.0002261000000000 ] - [ -0.0002522400000000, -0.0003074400000000, -0.0004392700000000 ] - [ 0.0001393800000000, -0.0003106200000000, -0.0000288200000000 ] - [ -0.0008215900000000, 0.0003346800000000, -0.0004729600000000 ] - [ 0.0009383500000000, 0.0003369100000000, 0.0009499400000000 ] - [ 0.0000573700000000, -0.0006642400000000, 0.0002368700000000 ] - [ -0.0007758100000000, 0.0005192600000000, 0.0006030600000000 ] - [ 0.0009048400000000, 0.0005365900000000, -0.0001320700000000 ] - [ 0.0000587800000000, -0.0010529300000000, 0.0002343800000000 ] - [ 0.0011961600000000, 0.0019369600000000, -0.0091974600000000 ] - [ -0.0006698600000000, 0.0019436600000000, 0.0075290900000000 ] - [ 0.0002688600000000, -0.0038542500000000, -0.0008400100000000 ] - [ -0.0087523200000000, 0.0028533000000000, 0.0028523600000000 ] - [ 0.0093124300000000, 0.0028817100000000, -0.0045462200000000 ] - [ 0.0002703200000000, -0.0056557400000000, -0.0008456500000000 ] - [ -0.0003500000000000, 0.0322036700000000, 0.0008657400000000 ] - [ -0.0014352300000000, -0.0147013100000000, 0.0007120700000000 ] - [ 0.0008934900000000, -0.0146732600000000, 0.0009664800000000 ] - [ -0.0002722100000000, 0.0019108500000000, 0.0008449300000000 ] - [ -0.0001728600000000, -0.0009610000000000, -0.0009246600000000 ] - [ -0.0003615900000000, -0.0009658900000000, 0.0026050700000000 ] - [ 0.0002733900000000, 0.0011601600000000, -0.0008456800000000 ] - [ -0.0001725600000000, -0.0005776700000000, -0.0005702900000000 ] - [ 0.0007042900000000, -0.0005834200000000, -0.0011145100000000 ] - [ 0.0003031800000000, 0.0025777200000000, -0.0008175900000000 ] - [ -0.0016320600000000, -0.0011766800000000, -0.0026203900000000 ] - [ 0.0021566700000000, -0.0012026400000000, 0.0009220400000000 ] - [ -0.0060262100000000, 0.0015153500000000, -0.0011868600000000 ] - [ 0.0055170800000000, 0.0015174900000000, 0.0028787200000000 ] - [ -0.0002643100000000, -0.0029560300000000, 0.0008454800000000 ] - [ -0.0012227800000000, 0.0005794700000000, 0.0001570300000000 ] - [ 0.0006972600000000, 0.0005842300000000, 0.0015422500000000 ] - [ -0.0002653700000000, -0.0011612700000000, 0.0008458800000000 ]- atom: 37 displacement: [ -0.0030426590634358, 0.0000000000000000, 0.0095258713944548 ] forces: - [ -0.0005450900000000, 0.0000000000000000, 0.0017492000000000 ] - [ -0.0015176800000000, -0.0021969300000000, 0.0009838700000000 ] - [ -0.0015176800000000, 0.0021969300000000, 0.0009838700000000 ] - [ -0.0139989400000000, 0.0000000000000000, 0.0104547700000000 ] - [ -0.0020686600000000, 0.0042920500000000, 0.0000603700000000 ] - [ -0.0020686600000000, -0.0042920500000000, 0.0000603700000000 ] - [ -0.0048506300000000, 0.0159098700000000, -0.0043664000000000 ] - [ -0.0048506300000000, -0.0159098700000000, -0.0043664000000000 ] - [ 0.0024556400000000, 0.0000000000000000, -0.0011524400000000 ] - [ 0.0007826500000000, -0.0003434600000000, 0.0005707300000000 ] - [ 0.0007826500000000, 0.0003434600000000, 0.0005707300000000 ] - [ 0.0006630700000000, 0.0000000000000000, 0.0002399000000000 ] - [ -0.0034069500000000, -0.0023799900000000, -0.0031261800000000 ] - [ -0.0034069500000000, 0.0023799900000000, -0.0031261800000000 ] - [ 0.0006235700000000, 0.0000000000000000, -0.0007895100000000 ] - [ 0.0005884200000000, 0.0001998800000000, 0.0021572600000000 ] - [ 0.0005884200000000, -0.0001998800000000, 0.0021572600000000 ] - [ 0.0005143300000000, 0.0000000000000000, 0.0009417700000000 ] - [ -0.0016196700000000, 0.0000000000000000, 0.0017845800000000 ] - [ -0.0008681600000000, -0.0000700000000000, 0.0006731000000000 ] - [ -0.0008681600000000, 0.0000700000000000, 0.0006731000000000 ] - [ 0.0185072500000000, 0.0000000000000000, 0.0035106100000000 ] - [ 0.0005859800000000, 0.0002221100000000, -0.0014871200000000 ] - [ 0.0005859800000000, -0.0002221100000000, -0.0014871200000000 ] - [ -0.0044027000000000, 0.0000000000000000, 0.0047526000000000 ] - [ -0.0007848000000000, -0.0005193800000000, -0.0000971600000000 ] - [ -0.0007848000000000, 0.0005193800000000, -0.0000971600000000 ] - [ 0.0002167000000000, 0.0000000000000000, 0.0049438200000000 ] - [ 0.0000869600000000, 0.0011036300000000, 0.0020417800000000 ] - [ 0.0000869600000000, -0.0011036300000000, 0.0020417800000000 ] - [ 0.0033972200000000, 0.0084310900000000, 0.0107308400000000 ] - [ 0.0033972200000000, -0.0084310900000000, 0.0107308400000000 ] - [ 0.0008041800000000, 0.0000000000000000, -0.0001449800000000 ] - [ 0.0000139800000000, -0.0007360200000000, 0.0038636500000000 ] - [ 0.0000139800000000, 0.0007360200000000, 0.0038636500000000 ] - [ 0.0002984100000000, 0.0000000000000000, 0.0017301700000000 ] - [ 0.0471180600000000, 0.0000000000000000, -0.1152361400000000 ] - [ 0.0013869600000000, 0.0002111700000000, -0.0025678800000000 ] - [ 0.0013869600000000, -0.0002111700000000, -0.0025678800000000 ] - [ -0.0013212500000000, 0.0000000000000000, 0.0020975900000000 ] - [ -0.0010987200000000, -0.0000274900000000, 0.0015271500000000 ] - [ -0.0010987200000000, 0.0000274900000000, 0.0015271500000000 ] - [ -0.0003041700000000, 0.0007079800000000, 0.0014792800000000 ] - [ -0.0003041700000000, -0.0007079800000000, 0.0014792800000000 ] - [ 0.0000627600000000, 0.0000000000000000, 0.0005918700000000 ] - [ -0.0019182800000000, -0.0233257400000000, 0.0122501800000000 ] - [ -0.0019182800000000, 0.0233257400000000, 0.0122501800000000 ] - [ 0.0016186500000000, 0.0000000000000000, -0.0012664900000000 ] - [ -0.0010667800000000, 0.0003487500000000, 0.0003804600000000 ] - [ -0.0010667800000000, -0.0003487500000000, 0.0003804600000000 ] - [ -0.0009784700000000, 0.0000000000000000, 0.0003332300000000 ] - [ -0.0008044700000000, -0.0002506400000000, -0.0004431900000000 ] - [ -0.0008044700000000, 0.0002506400000000, -0.0004431900000000 ] - [ -0.0010562600000000, 0.0000000000000000, 0.0000567200000000 ] - [ 0.0000086700000000, 0.0000000000000000, -0.0007026700000000 ] - [ 0.0003001100000000, 0.0005680600000000, -0.0005356000000000 ] - [ 0.0003001100000000, -0.0005680600000000, -0.0005356000000000 ] - [ 0.0011185500000000, 0.0000000000000000, 0.0001206000000000 ] - [ 0.0010539300000000, -0.0001840900000000, -0.0000224000000000 ] - [ 0.0010539300000000, 0.0001840900000000, -0.0000224000000000 ] - [ -0.0163005400000000, 0.0000000000000000, -0.0109110300000000 ] - [ -0.0007567200000000, -0.0004105000000000, -0.0007250600000000 ] - [ -0.0007567200000000, 0.0004105000000000, -0.0007250600000000 ] - [ 0.0014911700000000, 0.0000000000000000, 0.0011725600000000 ] - [ 0.0012324000000000, -0.0000020600000000, 0.0006699700000000 ] - [ 0.0012324000000000, 0.0000020600000000, 0.0006699700000000 ] - [ 0.0015510600000000, 0.0000918800000000, 0.0010958700000000 ] - [ 0.0015510600000000, -0.0000918800000000, 0.0010958700000000 ] - [ 0.0002165300000000, 0.0000000000000000, 0.0002512600000000 ] - [ -0.0040043100000000, -0.0003870900000000, -0.0017752200000000 ] - [ -0.0040043100000000, 0.0003870900000000, -0.0017752200000000 ] - [ -0.0017219900000000, 0.0000000000000000, -0.0006625300000000 ] - [ -0.0002150600000000, 0.0000170000000000, -0.0023793900000000 ] - [ -0.0002150600000000, -0.0000170000000000, -0.0023793900000000 ] - [ -0.0003793200000000, 0.0000000000000000, -0.0014171500000000 ] - [ -0.0008718600000000, 0.0000319700000000, 0.0007029700000000 ] - [ -0.0008718600000000, -0.0000319700000000, 0.0007029700000000 ] - [ -0.0007102600000000, 0.0000000000000000, 0.0001818200000000 ] - [ -0.0006270600000000, 0.0000000000000000, 0.0016223300000000 ] - [ 0.0001510800000000, -0.0000736600000000, 0.0006009500000000 ] - [ 0.0001510800000000, 0.0000736600000000, 0.0006009500000000 ] - [ 0.0007648000000000, 0.0000000000000000, -0.0000985600000000 ] - [ 0.0006631500000000, 0.0000116700000000, 0.0002940700000000 ] - [ 0.0006631500000000, -0.0000116700000000, 0.0002940700000000 ] - [ -0.0023614300000000, 0.0004164800000000, 0.0000452000000000 ] - [ -0.0023614300000000, -0.0004164800000000, 0.0000452000000000 ] - [ -0.0012565100000000, 0.0000000000000000, 0.0001337000000000 ] - [ -0.0001553500000000, 0.0000220200000000, 0.0005139000000000 ] - [ -0.0001553500000000, -0.0000220200000000, 0.0005139000000000 ] - [ -0.0003175800000000, 0.0000000000000000, 0.0003573400000000 ] - [ 0.0007910300000000, 0.0000000000000000, -0.0002092700000000 ] - [ 0.0008133400000000, -0.0000964000000000, -0.0002963000000000 ] - [ 0.0008133400000000, 0.0000964000000000, -0.0002963000000000 ] - [ -0.0006443000000000, 0.0000000000000000, -0.0024095200000000 ] - [ -0.0000661800000000, 0.0000827200000000, -0.0003384100000000 ] - [ -0.0000661800000000, -0.0000827200000000, -0.0003384100000000 ] - [ -0.0074404000000000, 0.0018575300000000, 0.0194134500000000 ] - [ -0.0074404000000000, -0.0018575300000000, 0.0194134500000000 ] - [ -0.0013736400000000, 0.0000000000000000, 0.0013242600000000 ] - [ 0.0007600000000000, 0.0000507700000000, -0.0038272100000000 ] - [ 0.0007600000000000, -0.0000507700000000, -0.0038272100000000 ] - [ 0.0005122100000000, 0.0000000000000000, -0.0019267600000000 ] - [ 0.0013406100000000, 0.0000000000000000, -0.0054942700000000 ] - [ 0.0011216600000000, 0.0007128600000000, -0.0012900400000000 ] - [ 0.0011216600000000, -0.0007128600000000, -0.0012900400000000 ] - [ -0.0061113700000000, 0.0000000000000000, 0.0118767900000000 ] - [ -0.0031709500000000, -0.0058677400000000, 0.0016102800000000 ] - [ -0.0031709500000000, 0.0058677400000000, 0.0016102800000000 ] - [ 0.0059114200000000, 0.0000000000000000, -0.0008558300000000 ] - [ 0.0014122400000000, 0.0001456700000000, -0.0000270300000000 ] - [ 0.0014122400000000, -0.0001456700000000, -0.0000270300000000 ] - [ -0.0007885000000000, 0.0000000000000000, -0.0007435100000000 ] - [ -0.0006104100000000, 0.0000682400000000, -0.0003841600000000 ] - [ -0.0006104100000000, -0.0000682400000000, -0.0003841600000000 ] - [ -0.0009885000000000, -0.0001381100000000, 0.0008099500000000 ] - [ -0.0009885000000000, 0.0001381100000000, 0.0008099500000000 ] - [ -0.0004025700000000, 0.0000000000000000, 0.0006043100000000 ] - [ 0.0020282500000000, -0.0002500300000000, 0.0000178100000000 ] - [ 0.0020282500000000, 0.0002500300000000, 0.0000178100000000 ] - [ 0.0010387000000000, 0.0000000000000000, -0.0000130700000000 ] - [ -0.0004759000000000, -0.0024342700000000, -0.0093594400000000 ] - [ -0.0004759000000000, 0.0024342700000000, -0.0093594400000000 ] - [ -0.0005435500000000, 0.0000000000000000, -0.0014420000000000 ] - [ 0.0096406100000000, 0.0077788500000000, -0.0026910200000000 ] - [ 0.0096406100000000, -0.0077788500000000, -0.0026910200000000 ] - [ 0.0008229500000000, 0.0000000000000000, -0.0005442500000000 ] - [ -0.0063122800000000, 0.0000000000000000, 0.0362954400000000 ] - [ -0.0005556800000000, 0.0058476600000000, 0.0027872400000000 ] - [ -0.0005556800000000, -0.0058476600000000, 0.0027872400000000 ] - [ -0.0004291000000000, 0.0000000000000000, -0.0045905300000000 ] - [ -0.0004726000000000, -0.0004373000000000, -0.0019483300000000 ] - [ -0.0004726000000000, 0.0004373000000000, -0.0019483300000000 ] - [ 0.0013194300000000, 0.0000000000000000, -0.0025107300000000 ] - [ 0.0004230100000000, 0.0002620000000000, -0.0014461000000000 ] - [ 0.0004230100000000, -0.0002620000000000, -0.0014461000000000 ] - [ -0.0050670800000000, 0.0000000000000000, 0.0051661100000000 ] - [ 0.0002075000000000, -0.0000182900000000, 0.0003085200000000 ] - [ 0.0002075000000000, 0.0000182900000000, 0.0003085200000000 ] - [ 0.0027346100000000, 0.0003635300000000, 0.0043081400000000 ] - [ 0.0027346100000000, -0.0003635300000000, 0.0043081400000000 ] - [ 0.0002663800000000, 0.0000000000000000, 0.0023217100000000 ] - [ -0.0007051600000000, -0.0001167200000000, -0.0013819400000000 ] - [ -0.0007051600000000, 0.0001167200000000, -0.0013819400000000 ] - [ -0.0003676100000000, 0.0000000000000000, -0.0002567100000000 ]- atom: 37 displacement: [ 0.0030426590634358, 0.0000000000000000, -0.0095258713944548 ] forces: - [ -0.0013229400000000, 0.0000000000000000, -0.0012321100000000 ] - [ -0.0003370900000000, 0.0021953800000000, -0.0004690000000000 ] - [ -0.0003370900000000, -0.0021953800000000, -0.0004690000000000 ] - [ 0.0119360000000000, 0.0000000000000000, -0.0097765600000000 ] - [ 0.0002135000000000, -0.0042794900000000, 0.0004490200000000 ] - [ 0.0002135000000000, 0.0042794900000000, 0.0004490200000000 ] - [ 0.0066714800000000, -0.0159559100000000, 0.0039189700000000 ] - [ 0.0066714800000000, 0.0159559100000000, 0.0039189700000000 ] - [ -0.0006047700000000, 0.0000000000000000, 0.0006412100000000 ] - [ 0.0010707000000000, 0.0003401700000000, -0.0010830700000000 ] - [ 0.0010707000000000, -0.0003401700000000, -0.0010830700000000 ] - [ 0.0011888300000000, 0.0000000000000000, -0.0007520900000000 ] - [ 0.0045705000000000, 0.0024033300000000, 0.0034057900000000 ] - [ 0.0045705000000000, -0.0024033300000000, 0.0034057900000000 ] - [ 0.0004909800000000, 0.0000000000000000, 0.0010833400000000 ] - [ 0.0005248900000000, -0.0002004300000000, -0.0018558700000000 ] - [ 0.0005248900000000, 0.0002004300000000, -0.0018558700000000 ] - [ 0.0006030000000000, 0.0000000000000000, -0.0006419300000000 ] - [ 0.0005137200000000, 0.0000000000000000, -0.0020853600000000 ] - [ -0.0002458700000000, 0.0000706400000000, -0.0009696900000000 ] - [ -0.0002458700000000, -0.0000706400000000, -0.0009696900000000 ] - [ -0.0196111900000000, 0.0000000000000000, -0.0038356800000000 ] - [ -0.0017004400000000, -0.0002209400000000, 0.0011889100000000 ] - [ -0.0017004400000000, 0.0002209400000000, 0.0011889100000000 ] - [ 0.0035243300000000, 0.0000000000000000, -0.0058093000000000 ] - [ -0.0001988300000000, 0.0005184000000000, -0.0009040700000000 ] - [ -0.0001988300000000, -0.0005184000000000, -0.0009040700000000 ] - [ -0.0011964300000000, 0.0000000000000000, -0.0059268500000000 ] - [ -0.0010685300000000, -0.0011029100000000, -0.0030420900000000 ] - [ -0.0010685300000000, 0.0011029100000000, -0.0030420900000000 ] - [ -0.0024525700000000, -0.0084789500000000, -0.0097206700000000 ] - [ -0.0024525700000000, 0.0084789500000000, -0.0097206700000000 ] - [ 0.0001775000000000, 0.0000000000000000, 0.0011475600000000 ] - [ 0.0009676700000000, 0.0007310100000000, -0.0028549400000000 ] - [ 0.0009676700000000, -0.0007310100000000, -0.0028549400000000 ] - [ 0.0006825000000000, 0.0000000000000000, -0.0007247700000000 ] - [ -0.0495010900000000, 0.0000000000000000, 0.1125674800000000 ] - [ -0.0025114900000000, -0.0002186800000000, 0.0030713300000000 ] - [ -0.0025114900000000, 0.0002186800000000, 0.0030713300000000 ] - [ 0.0001967500000000, 0.0000000000000000, -0.0015880100000000 ] - [ -0.0000265000000000, 0.0000295800000000, -0.0010173700000000 ] - [ -0.0000265000000000, -0.0000295800000000, -0.0010173700000000 ] - [ 0.0014212200000000, -0.0007123000000000, -0.0019901900000000 ] - [ 0.0014212200000000, 0.0007123000000000, -0.0019901900000000 ] - [ 0.0010574000000000, 0.0000000000000000, -0.0010995400000000 ] - [ 0.0030440400000000, 0.0231034500000000, -0.0126703800000000 ] - [ 0.0030440400000000, -0.0231034500000000, -0.0126703800000000 ] - [ -0.0004942000000000, 0.0000000000000000, 0.0007541300000000 ] - [ -0.0007828000000000, -0.0003517100000000, 0.0001320800000000 ] - [ -0.0007828000000000, 0.0003517100000000, 0.0001320800000000 ] - [ -0.0008725500000000, 0.0000000000000000, 0.0001789300000000 ] - [ -0.0010491300000000, 0.0002504700000000, 0.0009577400000000 ] - [ -0.0010491300000000, -0.0002504700000000, 0.0009577400000000 ] - [ -0.0007969900000000, 0.0000000000000000, 0.0004559200000000 ] - [ 0.0018517100000000, 0.0000000000000000, 0.0001878300000000 ] - [ 0.0015571700000000, -0.0005725100000000, 0.0000216400000000 ] - [ 0.0015571700000000, 0.0005725100000000, 0.0000216400000000 ] - [ 0.0007355500000000, 0.0000000000000000, -0.0006337400000000 ] - [ 0.0007991600000000, 0.0001839500000000, -0.0004901800000000 ] - [ 0.0007991600000000, -0.0001839500000000, -0.0004901800000000 ] - [ 0.0175922600000000, 0.0000000000000000, 0.0112524500000000 ] - [ 0.0018699200000000, 0.0004099900000000, 0.0010212900000000 ] - [ 0.0018699200000000, -0.0004099900000000, 0.0010212900000000 ] - [ -0.0003679300000000, 0.0000000000000000, -0.0008740600000000 ] - [ -0.0001166500000000, 0.0000023000000000, -0.0003720700000000 ] - [ -0.0001166500000000, -0.0000023000000000, -0.0003720700000000 ] - [ -0.0026623000000000, -0.0000913700000000, -0.0013890400000000 ] - [ -0.0026623000000000, 0.0000913700000000, -0.0013890400000000 ] - [ -0.0013311500000000, 0.0000000000000000, -0.0005481100000000 ] - [ 0.0028847700000000, 0.0003837100000000, 0.0014688800000000 ] - [ 0.0028847700000000, -0.0003837100000000, 0.0014688800000000 ] - [ 0.0006019700000000, 0.0000000000000000, 0.0003615000000000 ] - [ -0.0007639800000000, -0.0000158100000000, 0.0013817800000000 ] - [ -0.0007639800000000, 0.0000158100000000, 0.0013817800000000 ] - [ -0.0006020300000000, 0.0000000000000000, 0.0004163600000000 ] - [ -0.0001101600000000, -0.0000321500000000, -0.0017050800000000 ] - [ -0.0001101600000000, 0.0000321500000000, -0.0017050800000000 ] - [ -0.0002715400000000, 0.0000000000000000, -0.0011854300000000 ] - [ 0.0016143900000000, 0.0000000000000000, -0.0006243600000000 ] - [ 0.0008320300000000, 0.0000740300000000, 0.0003987700000000 ] - [ 0.0008320300000000, -0.0000740300000000, 0.0003987700000000 ] - [ 0.0002160600000000, 0.0000000000000000, 0.0011033800000000 ] - [ 0.0003193800000000, -0.0000116000000000, 0.0007083400000000 ] - [ 0.0003193800000000, 0.0000116000000000, 0.0007083400000000 ] - [ 0.0012459500000000, -0.0004189500000000, 0.0004618700000000 ] - [ 0.0012459500000000, 0.0004189500000000, 0.0004618700000000 ] - [ 0.0001356200000000, 0.0000000000000000, 0.0003747700000000 ] - [ -0.0009663900000000, -0.0000220300000000, -0.0000051400000000 ] - [ -0.0009663900000000, 0.0000220300000000, -0.0000051400000000 ] - [ -0.0008035700000000, 0.0000000000000000, 0.0001510100000000 ] - [ 0.0003355000000000, 0.0000000000000000, -0.0002987300000000 ] - [ 0.0003105800000000, 0.0000960300000000, -0.0002122800000000 ] - [ 0.0003105800000000, -0.0000960300000000, -0.0002122800000000 ] - [ 0.0017697400000000, 0.0000000000000000, 0.0019096700000000 ] - [ 0.0011900500000000, -0.0000826900000000, -0.0001705800000000 ] - [ 0.0011900500000000, 0.0000826900000000, -0.0001705800000000 ] - [ 0.0073618500000000, -0.0018456500000000, -0.0198082300000000 ] - [ 0.0073618500000000, 0.0018456500000000, -0.0198082300000000 ] - [ 0.0012598800000000, 0.0000000000000000, -0.0017938300000000 ] - [ -0.0008698300000000, -0.0000487500000000, 0.0033517700000000 ] - [ -0.0008698300000000, 0.0000487500000000, 0.0033517700000000 ] - [ -0.0006233000000000, 0.0000000000000000, 0.0014537200000000 ] - [ -0.0012201100000000, 0.0000000000000000, 0.0059967300000000 ] - [ -0.0010064700000000, -0.0007147900000000, 0.0017595600000000 ] - [ -0.0010064700000000, 0.0007147900000000, 0.0017595600000000 ] - [ 0.0064809500000000, 0.0000000000000000, -0.0085840300000000 ] - [ 0.0032826300000000, 0.0058740100000000, -0.0011334400000000 ] - [ 0.0032826300000000, -0.0058740100000000, -0.0011334400000000 ] - [ -0.0060452700000000, 0.0000000000000000, 0.0003852600000000 ] - [ -0.0015267100000000, -0.0001463600000000, -0.0004448100000000 ] - [ -0.0015267100000000, 0.0001463600000000, -0.0004448100000000 ] - [ 0.0006722100000000, 0.0000000000000000, 0.0002720100000000 ] - [ 0.0004964200000000, -0.0000680600000000, -0.0000877500000000 ] - [ 0.0004964200000000, 0.0000680600000000, -0.0000877500000000 ] - [ 0.0010965600000000, 0.0001383200000000, -0.0003432600000000 ] - [ 0.0010965600000000, -0.0001383200000000, -0.0003432600000000 ] - [ 0.0005136700000000, 0.0000000000000000, -0.0001344500000000 ] - [ -0.0019142700000000, 0.0002502400000000, 0.0004532300000000 ] - [ -0.0019142700000000, -0.0002502400000000, 0.0004532300000000 ] - [ -0.0009251600000000, 0.0000000000000000, 0.0004845700000000 ] - [ 0.0010215000000000, 0.0024401800000000, 0.0076440400000000 ] - [ 0.0010215000000000, -0.0024401800000000, 0.0076440400000000 ] - [ 0.0010769900000000, 0.0000000000000000, -0.0002489100000000 ] - [ -0.0090971000000000, -0.0077291300000000, 0.0010246300000000 ] - [ -0.0090971000000000, 0.0077291300000000, 0.0010246300000000 ] - [ -0.0002885900000000, 0.0000000000000000, -0.0011394100000000 ] - [ 0.0066662200000000, 0.0000000000000000, -0.0348200900000000 ] - [ 0.0000290300000000, -0.0058377900000000, -0.0010970500000000 ] - [ 0.0000290300000000, 0.0058377900000000, -0.0010970500000000 ] - [ -0.0001042800000000, 0.0000000000000000, 0.0062706200000000 ] - [ -0.0000592900000000, 0.0004334900000000, 0.0036329600000000 ] - [ -0.0000592900000000, -0.0004334900000000, 0.0036329600000000 ] - [ -0.0008011300000000, 0.0000000000000000, 0.0008264900000000 ] - [ 0.0001064300000000, -0.0002639000000000, -0.0002424300000000 ] - [ 0.0001064300000000, 0.0002639000000000, -0.0002424300000000 ] - [ 0.0056216400000000, 0.0000000000000000, -0.0068721100000000 ] - [ 0.0003230100000000, 0.0000180900000000, -0.0019953300000000 ] - [ 0.0003230100000000, -0.0000180900000000, -0.0019953300000000 ] - [ -0.0032994900000000, -0.0003683700000000, -0.0026228500000000 ] - [ -0.0032994900000000, 0.0003683700000000, -0.0026228500000000 ] - [ -0.0007992800000000, 0.0000000000000000, -0.0006314800000000 ] - [ 0.0001725400000000, 0.0001178400000000, 0.0030658200000000 ] - [ 0.0001725400000000, -0.0001178400000000, 0.0030658200000000 ] - [ -0.0001660100000000, 0.0000000000000000, 0.0019428900000000 ]- atom: 97 displacement: [ 0.0099999992707097, 0.0000000000000000, -0.0000038191367309 ] forces: - [ 0.0007889900000000, 0.0018466400000000, 0.0005307100000000 ] - [ -0.0003728300000000, 0.0000000000000000, 0.0005166500000000 ] - [ 0.0007889900000000, -0.0018466400000000, 0.0005307100000000 ] - [ 0.0020974800000000, 0.0049195600000000, 0.0023956500000000 ] - [ 0.0008202200000000, 0.0000000000000000, 0.0002168100000000 ] - [ 0.0020974800000000, -0.0049195600000000, 0.0023956500000000 ] - [ 0.0157624400000000, 0.0000000000000000, 0.0011943500000000 ] - [ 0.0034625200000000, -0.0075071900000000, -0.0012376500000000 ] - [ 0.0034625200000000, 0.0075071900000000, -0.0012376500000000 ] - [ 0.0015151200000000, 0.0000000000000000, 0.0000793100000000 ] - [ 0.0010667900000000, 0.0002106700000000, -0.0001287900000000 ] - [ 0.0010667900000000, -0.0002106700000000, -0.0001287900000000 ] - [ 0.0521023700000000, 0.0000000000000000, -0.0082166300000000 ] - [ 0.0035426300000000, 0.0007704600000000, 0.0006260600000000 ] - [ 0.0035426300000000, -0.0007704600000000, 0.0006260600000000 ] - [ 0.0007245800000000, 0.0000000000000000, -0.0000842000000000 ] - [ 0.0007788900000000, 0.0001093400000000, 0.0006283400000000 ] - [ 0.0007788900000000, -0.0001093400000000, 0.0006283400000000 ] - [ -0.0023739000000000, 0.0000579000000000, 0.0004318700000000 ] - [ -0.0013910400000000, 0.0000000000000000, -0.0000137100000000 ] - [ -0.0023739000000000, -0.0000579000000000, 0.0004318700000000 ] - [ -0.0032284000000000, -0.0023554500000000, -0.0048471300000000 ] - [ -0.0009430000000000, 0.0000000000000000, -0.0013141800000000 ] - [ -0.0032284000000000, 0.0023554500000000, -0.0048471300000000 ] - [ -0.0012031200000000, -0.0029634000000000, 0.0070970000000000 ] - [ -0.0005435500000000, 0.0000000000000000, 0.0014230100000000 ] - [ -0.0012031200000000, 0.0029634000000000, 0.0070970000000000 ] - [ 0.0004852000000000, 0.0002128500000000, -0.0008925500000000 ] - [ -0.0001210800000000, 0.0000000000000000, -0.0010433300000000 ] - [ 0.0004852000000000, -0.0002128500000000, -0.0008925500000000 ] - [ 0.0152445200000000, 0.0000000000000000, 0.0050397900000000 ] - [ 0.0019124600000000, -0.0003233500000000, 0.0023824600000000 ] - [ 0.0019124600000000, 0.0003233500000000, 0.0023824600000000 ] - [ 0.0008370700000000, 0.0000000000000000, 0.0084152200000000 ] - [ 0.0005444400000000, 0.0004724200000000, 0.0017704200000000 ] - [ 0.0005444400000000, -0.0004724200000000, 0.0017704200000000 ] - [ 0.0187543200000000, -0.0003122600000000, -0.0013664700000000 ] - [ 0.0017147000000000, 0.0000000000000000, -0.0003999200000000 ] - [ 0.0187543200000000, 0.0003122600000000, -0.0013664700000000 ] - [ -0.0002418900000000, 0.0003387300000000, 0.0012116400000000 ] - [ -0.0005139300000000, 0.0000000000000000, 0.0008655200000000 ] - [ -0.0002418900000000, -0.0003387300000000, 0.0012116400000000 ] - [ 0.0019627200000000, 0.0000000000000000, 0.0015353600000000 ] - [ 0.0010853800000000, -0.0002394400000000, 0.0010291700000000 ] - [ 0.0010853800000000, 0.0002394400000000, 0.0010291700000000 ] - [ 0.0208622500000000, 0.0000000000000000, -0.0004433900000000 ] - [ 0.0032312900000000, -0.0012334200000000, -0.0027824200000000 ] - [ 0.0032312900000000, 0.0012334200000000, -0.0027824200000000 ] - [ -0.0028216800000000, 0.0000000000000000, -0.0005609300000000 ] - [ -0.0014476200000000, 0.0004176600000000, 0.0000899800000000 ] - [ -0.0014476200000000, -0.0004176600000000, 0.0000899800000000 ] - [ -0.0034262300000000, 0.0000000000000000, -0.0002737600000000 ] - [ -0.0023728000000000, -0.0011567300000000, -0.0001016200000000 ] - [ -0.0023728000000000, 0.0011567300000000, -0.0001016200000000 ] - [ -0.0036679300000000, 0.0112210900000000, 0.0004371000000000 ] - [ -0.0006463800000000, 0.0000000000000000, 0.0002013000000000 ] - [ -0.0036679300000000, -0.0112210900000000, 0.0004371000000000 ] - [ 0.0006234900000000, 0.0006806900000000, -0.0005279400000000 ] - [ 0.0007553400000000, 0.0000000000000000, -0.0003451100000000 ] - [ 0.0006234900000000, -0.0006806900000000, -0.0005279400000000 ] - [ -0.0079052700000000, -0.0016937900000000, -0.0028259500000000 ] - [ -0.0018179800000000, 0.0000000000000000, -0.0005268400000000 ] - [ -0.0079052700000000, 0.0016937900000000, -0.0028259500000000 ] - [ 0.0002647400000000, 0.0001026400000000, -0.0003373600000000 ] - [ 0.0003824600000000, 0.0000000000000000, -0.0001545100000000 ] - [ 0.0002647400000000, -0.0001026400000000, -0.0003373600000000 ] - [ 0.0007425500000000, 0.0000000000000000, -0.0016028100000000 ] - [ 0.0004501600000000, 0.0001929800000000, -0.0001380500000000 ] - [ 0.0004501600000000, -0.0001929800000000, -0.0001380500000000 ] - [ -0.0047596700000000, 0.0000000000000000, 0.0069599800000000 ] - [ -0.0006929800000000, 0.0006551600000000, 0.0008383700000000 ] - [ -0.0006929800000000, -0.0006551600000000, 0.0008383700000000 ] - [ -0.0025362300000000, 0.0000000000000000, -0.0106873400000000 ] - [ -0.0005685800000000, 0.0007976300000000, -0.0019990100000000 ] - [ -0.0005685800000000, -0.0007976300000000, -0.0019990100000000 ] - [ -0.0018050800000000, 0.0000000000000000, -0.0001681600000000 ] - [ -0.0009648000000000, 0.0000931300000000, -0.0005911400000000 ] - [ -0.0009648000000000, -0.0000931300000000, -0.0005911400000000 ] - [ -0.0016220300000000, 0.0004185100000000, -0.0000166000000000 ] - [ -0.0002697700000000, 0.0000000000000000, 0.0004459000000000 ] - [ -0.0016220300000000, -0.0004185100000000, -0.0000166000000000 ] - [ 0.0001945900000000, 0.0000042200000000, -0.0021552200000000 ] - [ 0.0003850900000000, 0.0000000000000000, -0.0007716000000000 ] - [ 0.0001945900000000, -0.0000042200000000, -0.0021552200000000 ] - [ -0.0094394800000000, 0.0000000000000000, 0.0036948400000000 ] - [ -0.0031930700000000, 0.0008232700000000, 0.0009561100000000 ] - [ -0.0031930700000000, -0.0008232700000000, 0.0009561100000000 ] - [ -0.0009657100000000, 0.0000000000000000, -0.0006397100000000 ] - [ -0.0006409000000000, 0.0001951100000000, -0.0003506100000000 ] - [ -0.0006409000000000, -0.0001951100000000, -0.0003506100000000 ] - [ -0.0002216900000000, 0.0008800000000000, -0.0015976000000000 ] - [ 0.0003222500000000, 0.0000000000000000, -0.0008103800000000 ] - [ -0.0002216900000000, -0.0008800000000000, -0.0015976000000000 ] - [ -0.0029949600000000, 0.0008397600000000, 0.0006748400000000 ] - [ -0.0009843200000000, 0.0000000000000000, 0.0002801200000000 ] - [ -0.0029949600000000, -0.0008397600000000, 0.0006748400000000 ] - [ -0.1890859400000000, 0.0000000000000000, 0.0095540100000000 ] - [ -0.0054004700000000, 0.0027060300000000, -0.0006136300000000 ] - [ -0.0054004700000000, -0.0027060300000000, -0.0006136300000000 ] - [ -0.0010065500000000, 0.0000000000000000, -0.0035694600000000 ] - [ -0.0002943500000000, -0.0002983500000000, -0.0016276500000000 ] - [ -0.0002943500000000, 0.0002983500000000, -0.0016276500000000 ] - [ -0.0006673400000000, 0.0001354000000000, -0.0054627000000000 ] - [ 0.0001117700000000, 0.0000000000000000, -0.0016016800000000 ] - [ -0.0006673400000000, -0.0001354000000000, -0.0054627000000000 ] - [ -0.0075620600000000, 0.0022515900000000, 0.0078546200000000 ] - [ -0.0016656200000000, 0.0000000000000000, 0.0013709400000000 ] - [ -0.0075620600000000, -0.0022515900000000, 0.0078546200000000 ] - [ 0.0091703100000000, -0.0021543500000000, -0.0013139900000000 ] - [ 0.0029772000000000, 0.0000000000000000, -0.0006351100000000 ] - [ 0.0091703100000000, 0.0021543500000000, -0.0013139900000000 ] - [ 0.0004035800000000, -0.0002411100000000, 0.0018133700000000 ] - [ 0.0002072500000000, 0.0000000000000000, 0.0008181800000000 ] - [ 0.0004035800000000, 0.0002411100000000, 0.0018133700000000 ] - [ 0.0013521300000000, 0.0000000000000000, 0.0071724400000000 ] - [ 0.0000124500000000, -0.0006798900000000, 0.0018365800000000 ] - [ 0.0000124500000000, 0.0006798900000000, 0.0018365800000000 ] - [ 0.0059946700000000, 0.0000000000000000, -0.0022631900000000 ] - [ 0.0023900400000000, -0.0002870400000000, -0.0004248600000000 ] - [ 0.0023900400000000, 0.0002870400000000, -0.0004248600000000 ] - [ -0.0066435000000000, 0.0000000000000000, 0.0022201800000000 ] - [ -0.0017268100000000, -0.0007878900000000, -0.0025631100000000 ] - [ -0.0017268100000000, 0.0007878900000000, -0.0025631100000000 ] - [ -0.0032407600000000, 0.0000000000000000, -0.0363955800000000 ] - [ -0.0020638700000000, -0.0041936200000000, -0.0022995100000000 ] - [ -0.0020638700000000, 0.0041936200000000, -0.0022995100000000 ] - [ 0.0192547900000000, 0.0456908600000000, -0.0011837100000000 ] - [ 0.0011779500000000, 0.0000000000000000, 0.0006773300000000 ] - [ 0.0192547900000000, -0.0456908600000000, -0.0011837100000000 ] - [ -0.0008553800000000, -0.0004345700000000, 0.0006440900000000 ] - [ -0.0004716700000000, 0.0000000000000000, 0.0010442900000000 ] - [ -0.0008553800000000, 0.0004345700000000, 0.0006440900000000 ] - [ 0.0035857700000000, -0.0011344700000000, 0.0002704000000000 ] - [ 0.0017435400000000, 0.0000000000000000, -0.0004663100000000 ] - [ 0.0035857700000000, 0.0011344700000000, 0.0002704000000000 ] - [ 0.0068011800000000, 0.0012069600000000, 0.0050633600000000 ] - [ 0.0020804000000000, 0.0000000000000000, 0.0009420700000000 ] - [ 0.0068011800000000, -0.0012069600000000, 0.0050633600000000 ] - [ 0.0466310500000000, 0.0000000000000000, 0.0105319800000000 ] - [ 0.0001623300000000, -0.0075722300000000, 0.0008188300000000 ] - [ 0.0001623300000000, 0.0075722300000000, 0.0008188300000000 ] - [ 0.0009866200000000, 0.0000000000000000, 0.0017685200000000 ] - [ -0.0001157300000000, -0.0004830300000000, 0.0009941400000000 ] - [ -0.0001157300000000, 0.0004830300000000, 0.0009941400000000 ]- atom: 97 displacement: [ -0.0099999992707097, 0.0000000000000000, 0.0000038191367309 ] forces: - [ -0.0026274300000000, -0.0018026500000000, -0.0000276500000000 ] - [ -0.0014757600000000, 0.0000000000000000, -0.0000065100000000 ] - [ -0.0026274300000000, 0.0018026500000000, -0.0000276500000000 ] - [ -0.0039831200000000, -0.0049258000000000, -0.0019004100000000 ] - [ -0.0026798200000000, 0.0000000000000000, 0.0002939600000000 ] - [ -0.0039831200000000, 0.0049258000000000, -0.0019004100000000 ] - [ -0.0105666900000000, 0.0000000000000000, -0.0019571700000000 ] - [ -0.0015643500000000, 0.0075124400000000, 0.0007189100000000 ] - [ -0.0015643500000000, -0.0075124400000000, 0.0007189100000000 ] - [ 0.0003386700000000, 0.0000000000000000, -0.0005909100000000 ] - [ 0.0007871500000000, -0.0002069100000000, -0.0003827900000000 ] - [ 0.0007871500000000, 0.0002069100000000, -0.0003827900000000 ] - [ -0.0569766900000000, 0.0000000000000000, 0.0094644800000000 ] - [ -0.0024382500000000, -0.0007754700000000, -0.0003311300000000 ] - [ -0.0024382500000000, 0.0007754700000000, -0.0003311300000000 ] - [ 0.0003855200000000, 0.0000000000000000, 0.0003484900000000 ] - [ 0.0003369300000000, -0.0001072900000000, -0.0003352800000000 ] - [ 0.0003369300000000, 0.0001072900000000, -0.0003352800000000 ] - [ 0.0012609800000000, -0.0000569600000000, -0.0007233200000000 ] - [ 0.0002770600000000, 0.0000000000000000, -0.0002841600000000 ] - [ 0.0012609800000000, 0.0000569600000000, -0.0007233200000000 ] - [ 0.0021235400000000, 0.0023330500000000, 0.0045339100000000 ] - [ -0.0001712200000000, 0.0000000000000000, 0.0010170800000000 ] - [ 0.0021235400000000, -0.0023330500000000, 0.0045339100000000 ] - [ 0.0002178500000000, 0.0029408800000000, -0.0080692800000000 ] - [ -0.0004372600000000, 0.0000000000000000, -0.0024229400000000 ] - [ 0.0002178500000000, -0.0029408800000000, -0.0080692800000000 ] - [ -0.0014645400000000, -0.0002030700000000, -0.0000948200000000 ] - [ -0.0008612400000000, 0.0000000000000000, 0.0000450700000000 ] - [ -0.0014645400000000, 0.0002030700000000, -0.0000948200000000 ] - [ -0.0141731500000000, 0.0000000000000000, -0.0034622900000000 ] - [ -0.0009330500000000, 0.0003326500000000, -0.0013848500000000 ] - [ -0.0009330500000000, -0.0003326500000000, -0.0013848500000000 ] - [ 0.0001399900000000, 0.0000000000000000, -0.0074490100000000 ] - [ 0.0004372300000000, -0.0004734700000000, -0.0007715600000000 ] - [ 0.0004372300000000, 0.0004734700000000, -0.0007715600000000 ] - [ -0.0198709000000000, 0.0001781100000000, 0.0018510500000000 ] - [ -0.0028371300000000, 0.0000000000000000, 0.0009126100000000 ] - [ -0.0198709000000000, -0.0001781100000000, 0.0018510500000000 ] - [ -0.0008788400000000, -0.0003369500000000, -0.0007047000000000 ] - [ -0.0006093800000000, 0.0000000000000000, -0.0003564000000000 ] - [ -0.0008788400000000, 0.0003369500000000, -0.0007047000000000 ] - [ -0.0008194100000000, 0.0000000000000000, -0.0020448400000000 ] - [ 0.0000442900000000, 0.0002406800000000, -0.0015393200000000 ] - [ 0.0000442900000000, -0.0002406800000000, -0.0015393200000000 ] - [ -0.0197855200000000, 0.0000000000000000, -0.0001907300000000 ] - [ -0.0021158400000000, 0.0012474100000000, 0.0022845500000000 ] - [ -0.0021158400000000, -0.0012474100000000, 0.0022845500000000 ] - [ 0.0009689000000000, 0.0000000000000000, 0.0010756000000000 ] - [ -0.0004054500000000, -0.0004177900000000, 0.0004235600000000 ] - [ -0.0004054500000000, 0.0004177900000000, 0.0004235600000000 ] - [ 0.0015692800000000, 0.0000000000000000, 0.0007826300000000 ] - [ 0.0005181400000000, 0.0011518700000000, 0.0006134000000000 ] - [ 0.0005181400000000, -0.0011518700000000, 0.0006134000000000 ] - [ 0.0055500300000000, -0.0112622300000000, -0.0009507400000000 ] - [ 0.0025032700000000, 0.0000000000000000, -0.0007144200000000 ] - [ 0.0055500300000000, 0.0112622300000000, -0.0009507400000000 ] - [ 0.0012271200000000, -0.0006769300000000, 0.0000129600000000 ] - [ 0.0010963100000000, 0.0000000000000000, -0.0001681200000000 ] - [ 0.0012271200000000, 0.0006769300000000, 0.0000129600000000 ] - [ 0.0090371900000000, 0.0016976000000000, 0.0031349100000000 ] - [ 0.0029430100000000, 0.0000000000000000, 0.0008289500000000 ] - [ 0.0090371900000000, -0.0016976000000000, 0.0031349100000000 ] - [ 0.0008566400000000, -0.0001024300000000, 0.0006386600000000 ] - [ 0.0007369900000000, 0.0000000000000000, 0.0004559900000000 ] - [ 0.0008566400000000, 0.0001024300000000, 0.0006386600000000 ] - [ -0.0018915200000000, 0.0000000000000000, 0.0012949600000000 ] - [ -0.0015759400000000, -0.0001920400000000, -0.0001624500000000 ] - [ -0.0015759400000000, 0.0001920400000000, -0.0001624500000000 ] - [ 0.0036184300000000, 0.0000000000000000, -0.0072809300000000 ] - [ -0.0004312900000000, -0.0006576900000000, -0.0011434900000000 ] - [ -0.0004312900000000, 0.0006576900000000, -0.0011434900000000 ] - [ 0.0015888200000000, 0.0000000000000000, 0.0096636200000000 ] - [ -0.0004147300000000, -0.0008001000000000, 0.0010056700000000 ] - [ -0.0004147300000000, 0.0008001000000000, 0.0010056700000000 ] - [ 0.0008218900000000, 0.0000000000000000, -0.0008491600000000 ] - [ -0.0000175200000000, -0.0000933000000000, -0.0004202900000000 ] - [ -0.0000175200000000, 0.0000933000000000, -0.0004202900000000 ] - [ 0.0026072000000000, -0.0004197300000000, 0.0010280500000000 ] - [ 0.0012540700000000, 0.0000000000000000, 0.0005553400000000 ] - [ 0.0026072000000000, 0.0004197300000000, 0.0010280500000000 ] - [ 0.0007871400000000, -0.0000043000000000, 0.0031505800000000 ] - [ 0.0005975800000000, 0.0000000000000000, 0.0017693400000000 ] - [ 0.0007871400000000, 0.0000043000000000, 0.0031505800000000 ] - [ 0.0083277900000000, 0.0000000000000000, -0.0031806100000000 ] - [ 0.0020728800000000, -0.0008294600000000, -0.0004459100000000 ] - [ 0.0020728800000000, 0.0008294600000000, -0.0004459100000000 ] - [ -0.0001642500000000, 0.0000000000000000, 0.0011489500000000 ] - [ -0.0004846300000000, -0.0001953200000000, 0.0008614300000000 ] - [ -0.0004846300000000, 0.0001953200000000, 0.0008614300000000 ] - [ 0.0013425400000000, -0.0008794000000000, 0.0010902700000000 ] - [ 0.0007980800000000, 0.0000000000000000, 0.0003015800000000 ] - [ 0.0013425400000000, 0.0008794000000000, 0.0010902700000000 ] - [ 0.0041225400000000, -0.0008421800000000, -0.0011905800000000 ] - [ 0.0021104400000000, 0.0000000000000000, -0.0007932300000000 ] - [ 0.0041225400000000, 0.0008421800000000, -0.0011905800000000 ] - [ 0.1916042900000000, 0.0000000000000000, -0.0111340500000000 ] - [ 0.0053099400000000, -0.0027399000000000, 0.0001375300000000 ] - [ 0.0053099400000000, 0.0027399000000000, 0.0001375300000000 ] - [ 0.0008900200000000, 0.0000000000000000, 0.0031111400000000 ] - [ 0.0001806700000000, 0.0002962600000000, 0.0011615200000000 ] - [ 0.0001806700000000, -0.0002962600000000, 0.0011615200000000 ] - [ 0.0007597200000000, -0.0001386500000000, 0.0059152700000000 ] - [ -0.0000057000000000, 0.0000000000000000, 0.0020716900000000 ] - [ 0.0007597200000000, 0.0001386500000000, 0.0059152700000000 ] - [ 0.0076208500000000, -0.0023219500000000, -0.0074549700000000 ] - [ 0.0017763200000000, 0.0000000000000000, -0.0008997500000000 ] - [ 0.0076208500000000, 0.0023219500000000, -0.0074549700000000 ] - [ -0.0092982700000000, 0.0021619000000000, 0.0008424200000000 ] - [ -0.0030957700000000, 0.0000000000000000, 0.0001630600000000 ] - [ -0.0092982700000000, -0.0021619000000000, 0.0008424200000000 ] - [ -0.0005134100000000, 0.0002402000000000, -0.0022813300000000 ] - [ -0.0003182100000000, 0.0000000000000000, -0.0012877500000000 ] - [ -0.0005134100000000, -0.0002402000000000, -0.0022813300000000 ] - [ -0.0012259000000000, 0.0000000000000000, -0.0067153100000000 ] - [ 0.0001050900000000, 0.0006801100000000, -0.0013731200000000 ] - [ 0.0001050900000000, -0.0006801100000000, -0.0013731200000000 ] - [ -0.0058832200000000, 0.0000000000000000, 0.0027486200000000 ] - [ -0.0022770300000000, 0.0002900100000000, 0.0009021200000000 ] - [ -0.0022770300000000, -0.0002900100000000, 0.0009021200000000 ] - [ 0.0071644300000000, 0.0000000000000000, -0.0037835800000000 ] - [ 0.0022649200000000, 0.0007634500000000, 0.0008828400000000 ] - [ 0.0022649200000000, -0.0007634500000000, 0.0008828400000000 ] - [ 0.0038606900000000, 0.0000000000000000, 0.0349130500000000 ] - [ 0.0026108900000000, 0.0042013600000000, 0.0006213300000000 ] - [ 0.0026108900000000, -0.0042013600000000, 0.0006213300000000 ] - [ -0.0196874100000000, -0.0453643600000000, 0.0028334900000000 ] - [ -0.0017117200000000, 0.0000000000000000, 0.0010045400000000 ] - [ -0.0196874100000000, 0.0453643600000000, 0.0028334900000000 ] - [ 0.0003182600000000, 0.0004319000000000, 0.0010298700000000 ] - [ -0.0000633500000000, 0.0000000000000000, 0.0006390500000000 ] - [ 0.0003182600000000, -0.0004319000000000, 0.0010298700000000 ] - [ -0.0030542800000000, 0.0011357800000000, -0.0019693700000000 ] - [ -0.0012124000000000, 0.0000000000000000, -0.0012268100000000 ] - [ -0.0030542800000000, -0.0011357800000000, -0.0019693700000000 ] - [ -0.0062545700000000, -0.0011991000000000, -0.0067378200000000 ] - [ -0.0015527000000000, 0.0000000000000000, -0.0026289900000000 ] - [ -0.0062545700000000, 0.0011991000000000, -0.0067378200000000 ] - [ -0.0475587900000000, 0.0000000000000000, -0.0088245400000000 ] - [ -0.0006930000000000, 0.0076034700000000, 0.0008666300000000 ] - [ -0.0006930000000000, -0.0076034700000000, 0.0008666300000000 ] - [ -0.0015018200000000, 0.0000000000000000, -0.0000560200000000 ] - [ -0.0004125200000000, 0.0004800800000000, 0.0007034500000000 ] - [ -0.0004125200000000, -0.0004800800000000, 0.0007034500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002359500000000, 0.0019427600000000, 0.0008419100000000 ] - [ -0.0009287000000000, -0.0039407600000000, 0.0002589200000000 ] - [ -0.0016154700000000, 0.0018994700000000, -0.0003277100000000 ] - [ 0.0026593500000000, 0.0025569500000000, -0.0032583100000000 ] - [ -0.0009266300000000, -0.0054273500000000, 0.0002543000000000 ] - [ -0.0044885400000000, 0.0025285500000000, 0.0037406300000000 ] - [ 0.0008314800000000, 0.0281365600000000, -0.0002511200000000 ] - [ -0.0058483400000000, -0.0104240400000000, 0.0013064900000000 ] - [ 0.0077132900000000, -0.0104585700000000, -0.0018274300000000 ] - [ 0.0009291100000000, 0.0013276300000000, -0.0002567000000000 ] - [ 0.0006688700000000, -0.0006611500000000, -0.0002824100000000 ] - [ 0.0011841800000000, -0.0006681000000000, -0.0002313500000000 ] - [ 0.0007842700000000, 0.0156466900000000, 0.0001090200000000 ] - [ 0.0058019600000000, -0.0029933800000000, 0.0000740400000000 ] - [ -0.0046487500000000, -0.0029712000000000, 0.0002220500000000 ] - [ 0.0005540600000000, 0.0008546000000000, 0.0001361100000000 ] - [ 0.0008806400000000, -0.0002500700000000, 0.0008146500000000 ] - [ 0.0002369400000000, -0.0002523600000000, -0.0005132600000000 ] - [ -0.0012263000000000, 0.0001814500000000, 0.0003245600000000 ] - [ -0.0005577900000000, -0.0003459500000000, -0.0001500400000000 ] - [ 0.0001129000000000, 0.0001789000000000, -0.0006206000000000 ] - [ -0.0088175000000000, 0.0008799700000000, -0.0053013600000000 ] - [ -0.0005603600000000, -0.0015126000000000, -0.0001490100000000 ] - [ 0.0076535000000000, 0.0008707100000000, 0.0049773700000000 ] - [ -0.0017153700000000, 0.0006535100000000, 0.0041984700000000 ] - [ -0.0004924600000000, -0.0014531700000000, -0.0005003200000000 ] - [ 0.0007256400000000, 0.0006405700000000, -0.0051923500000000 ] - [ -0.0002548100000000, 0.0008853300000000, -0.0018315900000000 ] - [ -0.0004918100000000, -0.0012041800000000, -0.0005019300000000 ] - [ -0.0007266200000000, 0.0008755800000000, 0.0008326900000000 ] - [ 0.0005224700000000, 0.0159016500000000, 0.0008171800000000 ] - [ 0.0007743100000000, -0.0037229000000000, 0.0072653000000000 ] - [ 0.0002042000000000, -0.0036975500000000, -0.0062185400000000 ] - [ 0.0004897500000000, 0.0010340300000000, 0.0005088500000000 ] - [ 0.0005713300000000, -0.0005311700000000, -0.0009534300000000 ] - [ 0.0004099400000000, -0.0005308600000000, 0.0019431800000000 ] - [ -0.0101242400000000, 0.0290228100000000, -0.0007657600000000 ] - [ -0.0005665700000000, -0.0044101300000000, 0.0002559900000000 ] - [ 0.0096250100000000, 0.0254013000000000, 0.0016495800000000 ] - [ -0.0005904800000000, 0.0004530100000000, 0.0002961400000000 ] - [ -0.0005626300000000, -0.0008939600000000, 0.0002540200000000 ] - [ -0.0005313600000000, 0.0004453800000000, 0.0002112100000000 ] - [ 0.0005700500000000, 0.0016192300000000, -0.0002575800000000 ] - [ 0.0002502100000000, -0.0007928600000000, 0.0003966500000000 ] - [ 0.0008688400000000, -0.0007972100000000, -0.0009047000000000 ] - [ 0.0005474000000000, 0.0233295400000000, -0.0003496600000000 ] - [ 0.0027447000000000, -0.0072273100000000, -0.0057199200000000 ] - [ -0.0016266900000000, -0.0072070600000000, 0.0052082100000000 ] - [ -0.0009292800000000, 0.0012546300000000, 0.0002553200000000 ] - [ -0.0007748300000000, -0.0006251700000000, 0.0003443000000000 ] - [ -0.0010779600000000, -0.0006314800000000, 0.0001686500000000 ] - [ -0.0009298900000000, 0.0040989700000000, 0.0002579800000000 ] - [ -0.0010722000000000, -0.0020426300000000, -0.0000252200000000 ] - [ -0.0007838200000000, -0.0020440700000000, 0.0005389900000000 ] - [ 0.0010260100000000, 0.0016426900000000, -0.0003497700000000 ] - [ 0.0009296800000000, -0.0032619300000000, -0.0002560900000000 ] - [ 0.0008292300000000, 0.0016021300000000, -0.0001616600000000 ] - [ 0.0007421100000000, 0.0005972300000000, -0.0002748300000000 ] - [ 0.0009272800000000, -0.0011902400000000, -0.0002564300000000 ] - [ 0.0011115800000000, 0.0005872900000000, -0.0002407700000000 ] - [ -0.0060171000000000, 0.0005852300000000, -0.0038866500000000 ] - [ 0.0005582500000000, -0.0010656200000000, 0.0001506700000000 ] - [ 0.0071147500000000, 0.0005764400000000, 0.0041711400000000 ] - [ 0.0004377600000000, 0.0001044300000000, 0.0000485200000000 ] - [ 0.0005565500000000, -0.0002132600000000, 0.0001493800000000 ] - [ 0.0006758600000000, 0.0001030600000000, 0.0002470400000000 ] - [ -0.0005716400000000, 0.0004087200000000, -0.0001586200000000 ] - [ 0.0003650100000000, -0.0002113900000000, 0.0005946000000000 ] - [ -0.0014728400000000, -0.0002132900000000, -0.0008871400000000 ] - [ -0.0005720800000000, 0.0004328200000000, -0.0001433300000000 ] - [ 0.0007418300000000, -0.0003879500000000, -0.0000116500000000 ] - [ -0.0018482100000000, -0.0003899100000000, -0.0002852600000000 ] - [ -0.0004932500000000, 0.0011445600000000, -0.0005161000000000 ] - [ -0.0000805800000000, -0.0003664400000000, 0.0001842200000000 ] - [ -0.0008976900000000, -0.0003685600000000, -0.0011768400000000 ] - [ -0.0004928300000000, 0.0004138000000000, -0.0005022400000000 ] - [ -0.0003940800000000, -0.0002082100000000, -0.0007447600000000 ] - [ -0.0005866600000000, -0.0002092900000000, -0.0002573100000000 ] - [ -0.0000010200000000, 0.0002037200000000, 0.0013680100000000 ] - [ 0.0004918100000000, -0.0004069100000000, 0.0004972800000000 ] - [ 0.0009809700000000, 0.0002006300000000, -0.0003732800000000 ] - [ 0.0002932800000000, 0.0002086800000000, -0.0011467300000000 ] - [ 0.0004911100000000, -0.0004139100000000, 0.0004972300000000 ] - [ 0.0006882800000000, 0.0002076000000000, 0.0021408700000000 ] - [ -0.0005734900000000, 0.0015916800000000, 0.0002611300000000 ] - [ -0.0004000800000000, -0.0007548900000000, 0.0001524400000000 ] - [ -0.0007180300000000, -0.0007580200000000, 0.0003573000000000 ] - [ -0.0005639700000000, 0.0006205000000000, 0.0002526100000000 ] - [ -0.0004345000000000, -0.0003083200000000, 0.0002230000000000 ] - [ -0.0006868100000000, -0.0003101000000000, 0.0002855700000000 ] - [ 0.0005487300000000, 0.0003383800000000, -0.0001140100000000 ] - [ 0.0005610900000000, -0.0006637400000000, -0.0002543100000000 ] - [ 0.0005718200000000, 0.0003318400000000, -0.0003977100000000 ] - [ -0.0006779300000000, 0.0005310700000000, -0.0003851400000000 ] - [ 0.0005623900000000, -0.0010543100000000, -0.0002542900000000 ] - [ 0.0017942100000000, 0.0005246300000000, -0.0001214700000000 ] - [ -0.0011563500000000, -0.1445058000000000, -0.0009744500000000 ] - [ -0.0027548900000000, 0.0212532200000000, -0.0017582400000000 ] - [ 0.0026914600000000, 0.0211287600000000, 0.0013100900000000 ] - [ -0.0000593500000000, -0.0008353100000000, -0.0002343100000000 ] - [ 0.0002420000000000, 0.0004191500000000, 0.0000439200000000 ] - [ -0.0003527000000000, 0.0004243800000000, -0.0005104100000000 ] - [ 0.0001899200000000, -0.0007702300000000, -0.0029607100000000 ] - [ 0.0000586400000000, 0.0015472600000000, 0.0002354900000000 ] - [ -0.0000815600000000, -0.0007573500000000, 0.0034260500000000 ] - [ 0.0023756000000000, 0.0025402600000000, 0.0290604700000000 ] - [ 0.0000605400000000, 0.0061797600000000, 0.0002381900000000 ] - [ -0.0022200000000000, 0.0025470500000000, -0.0283581600000000 ] - [ 0.0021054100000000, -0.0007656400000000, -0.0008217300000000 ] - [ -0.0000585800000000, 0.0015143100000000, -0.0002360000000000 ] - [ -0.0022101400000000, -0.0007530500000000, 0.0003463200000000 ] - [ 0.0001851700000000, -0.0003298900000000, 0.0004069900000000 ] - [ -0.0000561600000000, 0.0006578100000000, -0.0002349700000000 ] - [ -0.0002961200000000, -0.0003260900000000, -0.0008732000000000 ] - [ 0.0000639700000000, -0.0007667800000000, 0.0002438500000000 ] - [ -0.0006265100000000, 0.0003842100000000, -0.0003614700000000 ] - [ 0.0007338900000000, 0.0003889800000000, 0.0008284000000000 ] - [ 0.0000632800000000, -0.0018599000000000, 0.0002323000000000 ] - [ -0.0002340000000000, 0.0009224900000000, 0.0005749900000000 ] - [ 0.0003428100000000, 0.0009251000000000, -0.0001034300000000 ] - [ 0.0002633000000000, -0.0067588200000000, -0.0008022000000000 ] - [ 0.0006702700000000, 0.0026758400000000, -0.0067493700000000 ] - [ -0.0001313800000000, 0.0026957200000000, 0.0050158600000000 ] - [ 0.0003046200000000, -0.0118995900000000, -0.0008906300000000 ] - [ -0.0036386400000000, 0.0050354600000000, 0.0021680000000000 ] - [ 0.0041561100000000, 0.0050246600000000, -0.0038321200000000 ] - [ 0.0396806700000000, -0.0017667000000000, -0.0033696100000000 ] - [ -0.0002587700000000, 0.0131703800000000, 0.0008424800000000 ] - [ -0.0399988500000000, -0.0016872800000000, 0.0050528800000000 ] - [ -0.0004514000000000, -0.0007441200000000, 0.0016119700000000 ] - [ -0.0002647400000000, 0.0014715200000000, 0.0008462000000000 ] - [ -0.0000808300000000, -0.0007356700000000, 0.0000743600000000 ] - [ 0.0010954500000000, -0.0006550100000000, -0.0014354800000000 ] - [ 0.0002664200000000, 0.0012989500000000, -0.0008440200000000 ] - [ -0.0005612800000000, -0.0006468300000000, -0.0002470500000000 ] - [ 0.0047507900000000, -0.0016451600000000, 0.0024936700000000 ] - [ 0.0002671200000000, 0.0032585700000000, -0.0008438500000000 ] - [ -0.0042064600000000, -0.0016390100000000, -0.0041782800000000 ] - [ -0.0002265800000000, -0.0047397300000000, 0.0008526900000000 ] - [ -0.0045262100000000, 0.0019956300000000, -0.0002313600000000 ] - [ 0.0039538900000000, 0.0020153900000000, 0.0019084900000000 ] - [ -0.0002589000000000, -0.0012860000000000, 0.0008538800000000 ] - [ -0.0008871400000000, 0.0006437100000000, 0.0004685300000000 ] - [ 0.0003503400000000, 0.0006520500000000, 0.0012178900000000 ]- atom: 97 displacement: [ -0.0030426590634358, 0.0000000000000000, 0.0095258713944548 ] forces: - [ 0.0017406100000000, 0.0131715400000000, -0.0029430100000000 ] - [ 0.0003725100000000, 0.0000000000000000, -0.0002207000000000 ] - [ 0.0017406100000000, -0.0131715400000000, -0.0029430100000000 ] - [ 0.0028168600000000, -0.0105185600000000, -0.0015717200000000 ] - [ -0.0024431700000000, 0.0000000000000000, 0.0006412000000000 ] - [ 0.0028168600000000, 0.0105185600000000, -0.0015717200000000 ] - [ -0.0030673800000000, 0.0000000000000000, 0.0122323900000000 ] - [ -0.0011860500000000, 0.0016057600000000, 0.0009769500000000 ] - [ -0.0011860500000000, -0.0016057600000000, 0.0009769500000000 ] - [ 0.0013472800000000, 0.0000000000000000, -0.0021267800000000 ] - [ 0.0015119100000000, -0.0009768800000000, -0.0011033900000000 ] - [ 0.0015119100000000, 0.0009768800000000, -0.0011033900000000 ] - [ -0.0209631400000000, 0.0000000000000000, 0.0186166100000000 ] - [ 0.0001534900000000, -0.0007348700000000, 0.0016306800000000 ] - [ 0.0001534900000000, 0.0007348700000000, 0.0016306800000000 ] - [ -0.0001708200000000, 0.0000000000000000, -0.0083595400000000 ] - [ 0.0003754400000000, 0.0005921600000000, -0.0017414700000000 ] - [ 0.0003754400000000, -0.0005921600000000, -0.0017414700000000 ] - [ 0.0009801400000000, 0.0002356300000000, -0.0016714300000000 ] - [ 0.0000620000000000, 0.0000000000000000, -0.0006873500000000 ] - [ 0.0009801400000000, -0.0002356300000000, -0.0016714300000000 ] - [ -0.0044951700000000, -0.0014786600000000, 0.0024998800000000 ] - [ -0.0007929300000000, 0.0000000000000000, 0.0006023700000000 ] - [ -0.0044951700000000, 0.0014786600000000, 0.0024998800000000 ] - [ 0.0020010500000000, 0.0021412400000000, 0.0015248600000000 ] - [ -0.0001039700000000, 0.0000000000000000, 0.0004880000000000 ] - [ 0.0020010500000000, -0.0021412400000000, 0.0015248600000000 ] - [ -0.0016100300000000, -0.0030154100000000, -0.0075848600000000 ] - [ -0.0008171900000000, 0.0000000000000000, -0.0014211900000000 ] - [ -0.0016100300000000, 0.0030154100000000, -0.0075848600000000 ] - [ 0.0058949400000000, 0.0000000000000000, 0.0631075800000000 ] - [ 0.0001653100000000, 0.0009176600000000, 0.0032224400000000 ] - [ 0.0001653100000000, -0.0009176600000000, 0.0032224400000000 ] - [ 0.0021779600000000, 0.0000000000000000, -0.0095081000000000 ] - [ 0.0008961500000000, -0.0007201000000000, -0.0022303500000000 ] - [ 0.0008961500000000, 0.0007201000000000, -0.0022303500000000 ] - [ -0.0081810000000000, -0.0005771400000000, 0.0197919600000000 ] - [ -0.0015354500000000, 0.0000000000000000, 0.0019264000000000 ] - [ -0.0081810000000000, 0.0005771400000000, 0.0197919600000000 ] - [ 0.0013801200000000, 0.0003900600000000, -0.0029714100000000 ] - [ 0.0002525700000000, 0.0000000000000000, -0.0013554700000000 ] - [ 0.0013801200000000, -0.0003900600000000, -0.0029714100000000 ] - [ 0.0069702600000000, 0.0000000000000000, -0.0043507400000000 ] - [ 0.0021224800000000, 0.0013392800000000, -0.0016217800000000 ] - [ 0.0021224800000000, -0.0013392800000000, -0.0016217800000000 ] - [ 0.0041169600000000, 0.0000000000000000, 0.0144510700000000 ] - [ -0.0011607400000000, -0.0006569000000000, 0.0016114300000000 ] - [ -0.0011607400000000, 0.0006569000000000, 0.0016114300000000 ] - [ -0.0008229700000000, 0.0000000000000000, 0.0005093000000000 ] - [ -0.0010009400000000, 0.0001123000000000, 0.0003297600000000 ] - [ -0.0010009400000000, -0.0001123000000000, 0.0003297600000000 ] - [ -0.0007475400000000, 0.0000000000000000, 0.0003638200000000 ] - [ -0.0008549400000000, -0.0004035600000000, 0.0003457000000000 ] - [ -0.0008549400000000, 0.0004035600000000, 0.0003457000000000 ] - [ 0.0027279300000000, -0.0049219900000000, 0.0002946500000000 ] - [ 0.0016601800000000, 0.0000000000000000, -0.0000427500000000 ] - [ 0.0027279300000000, 0.0049219900000000, 0.0002946500000000 ] - [ 0.0002365900000000, 0.0014007800000000, -0.0011911000000000 ] - [ 0.0004430100000000, 0.0000000000000000, -0.0006215100000000 ] - [ 0.0002365900000000, -0.0014007800000000, -0.0011911000000000 ] - [ 0.0037011900000000, 0.0007397000000000, 0.0018594200000000 ] - [ 0.0015190200000000, 0.0000000000000000, 0.0007048300000000 ] - [ 0.0037011900000000, -0.0007397000000000, 0.0018594200000000 ] - [ -0.0007347500000000, -0.0000084600000000, -0.0007661600000000 ] - [ 0.0000160700000000, 0.0000000000000000, -0.0001879500000000 ] - [ -0.0007347500000000, 0.0000084600000000, -0.0007661600000000 ] - [ -0.0129727000000000, 0.0000000000000000, -0.0067370700000000 ] - [ -0.0027153800000000, 0.0005330100000000, -0.0010830500000000 ] - [ -0.0027153800000000, -0.0005330100000000, -0.0010830500000000 ] - [ 0.0080111900000000, 0.0000000000000000, 0.0025909100000000 ] - [ 0.0010655100000000, -0.0006062300000000, 0.0002758600000000 ] - [ 0.0010655100000000, 0.0006062300000000, 0.0002758600000000 ] - [ -0.0024841600000000, 0.0000000000000000, 0.0081992300000000 ] - [ -0.0009333000000000, -0.0000898700000000, 0.0019023100000000 ] - [ -0.0009333000000000, 0.0000898700000000, 0.0019023100000000 ] - [ 0.0002767000000000, 0.0000000000000000, -0.0057332600000000 ] - [ -0.0002022600000000, 0.0000085900000000, -0.0025557000000000 ] - [ -0.0002022600000000, -0.0000085900000000, -0.0025557000000000 ] - [ 0.0013205400000000, -0.0001437300000000, 0.0013939300000000 ] - [ 0.0008002500000000, 0.0000000000000000, 0.0010394300000000 ] - [ 0.0013205400000000, 0.0001437300000000, 0.0013939300000000 ] - [ 0.0000113700000000, -0.0000364800000000, -0.0001806100000000 ] - [ 0.0002844800000000, 0.0000000000000000, 0.0000715900000000 ] - [ 0.0000113700000000, 0.0000364800000000, -0.0001806100000000 ] - [ 0.0040101500000000, 0.0000000000000000, -0.0008075800000000 ] - [ 0.0005823500000000, -0.0004132300000000, 0.0003607700000000 ] - [ 0.0005823500000000, 0.0004132300000000, 0.0003607700000000 ] - [ -0.0025027000000000, 0.0000000000000000, -0.0006397100000000 ] - [ -0.0013344200000000, 0.0001352300000000, 0.0000367100000000 ] - [ -0.0013344200000000, -0.0001352300000000, 0.0000367100000000 ] - [ -0.0007883800000000, 0.0004094800000000, 0.0002209900000000 ] - [ 0.0000057100000000, 0.0000000000000000, 0.0000813400000000 ] - [ -0.0007883800000000, -0.0004094800000000, 0.0002209900000000 ] - [ 0.0018400800000000, -0.0006054000000000, -0.0006919700000000 ] - [ 0.0011961400000000, 0.0000000000000000, -0.0006133700000000 ] - [ 0.0018400800000000, 0.0006054000000000, -0.0006919700000000 ] - [ 0.0682617900000000, 0.0000000000000000, -0.1996329000000000 ] - [ 0.0012209900000000, 0.0006113600000000, -0.0035348100000000 ] - [ 0.0012209900000000, -0.0006113600000000, -0.0035348100000000 ] - [ -0.0029463700000000, 0.0000000000000000, 0.0095196200000000 ] - [ -0.0013101800000000, -0.0001712600000000, 0.0031940200000000 ] - [ -0.0013101800000000, 0.0001712600000000, 0.0031940200000000 ] - [ -0.0051326200000000, -0.0030749800000000, 0.0035014300000000 ] - [ -0.0017082800000000, 0.0000000000000000, 0.0009237400000000 ] - [ -0.0051326200000000, 0.0030749800000000, 0.0035014300000000 ] - [ 0.0097064000000000, 0.0267532300000000, 0.0077593300000000 ] - [ 0.0016639300000000, 0.0000000000000000, -0.0003333200000000 ] - [ 0.0097064000000000, -0.0267532300000000, 0.0077593300000000 ] - [ -0.0038960100000000, 0.0012108800000000, -0.0007806100000000 ] - [ -0.0013618800000000, 0.0000000000000000, -0.0006315300000000 ] - [ -0.0038960100000000, -0.0012108800000000, -0.0007806100000000 ] - [ 0.0017541000000000, -0.0005353100000000, 0.0005913800000000 ] - [ 0.0008658900000000, 0.0000000000000000, 0.0001075400000000 ] - [ 0.0017541000000000, 0.0005353100000000, 0.0005913800000000 ] - [ 0.0062630900000000, 0.0000000000000000, -0.0028939300000000 ] - [ 0.0015959100000000, -0.0003591100000000, -0.0009545600000000 ] - [ 0.0015959100000000, 0.0003591100000000, -0.0009545600000000 ] - [ -0.0041428100000000, 0.0000000000000000, 0.0033524900000000 ] - [ -0.0012884200000000, 0.0004102900000000, 0.0013882800000000 ] - [ -0.0012884200000000, -0.0004102900000000, 0.0013882800000000 ] - [ -0.0020164700000000, 0.0000000000000000, 0.0521095300000000 ] - [ 0.0021469700000000, -0.0086563500000000, -0.0000005500000000 ] - [ 0.0021469700000000, 0.0086563500000000, -0.0000005500000000 ] - [ -0.0358893100000000, 0.0000000000000000, 0.0233912500000000 ] - [ -0.0006973100000000, 0.0078539600000000, -0.0002355700000000 ] - [ -0.0006973100000000, -0.0078539600000000, -0.0002355700000000 ] - [ -0.0076655100000000, -0.0192335900000000, -0.0101767100000000 ] - [ -0.0009518100000000, 0.0000000000000000, -0.0011746000000000 ] - [ -0.0076655100000000, 0.0192335900000000, -0.0101767100000000 ] - [ -0.0008803100000000, 0.0012559000000000, 0.0079163900000000 ] - [ -0.0001953800000000, 0.0000000000000000, 0.0026163100000000 ] - [ -0.0008803100000000, -0.0012559000000000, 0.0079163900000000 ] - [ -0.0001281500000000, 0.0000900800000000, -0.0009889100000000 ] - [ 0.0001088700000000, 0.0000000000000000, -0.0010212600000000 ] - [ -0.0001281500000000, -0.0000900800000000, -0.0009889100000000 ] - [ 0.0014772700000000, 0.0002726700000000, -0.0018481800000000 ] - [ -0.0000421400000000, 0.0000000000000000, -0.0009543400000000 ] - [ 0.0014772700000000, -0.0002726700000000, -0.0018481800000000 ] - [ -0.0154785000000000, 0.0000000000000000, -0.0100180400000000 ] - [ -0.0005888900000000, 0.0029947900000000, -0.0021085900000000 ] - [ -0.0005888900000000, -0.0029947900000000, -0.0021085900000000 ] - [ 0.0030002100000000, 0.0000000000000000, 0.0105724200000000 ] - [ 0.0005419700000000, -0.0010462400000000, 0.0038343900000000 ] - [ 0.0005419700000000, 0.0010462400000000, 0.0038343900000000 ]- atom: 97 displacement: [ 0.0030426590634358, 0.0000000000000000, -0.0095258713944548 ] forces: - [ -0.0036084300000000, -0.0132296700000000, 0.0034823900000000 ] - [ -0.0022303800000000, 0.0000000000000000, 0.0007315400000000 ] - [ -0.0036084300000000, 0.0132296700000000, 0.0034823900000000 ] - [ -0.0046405400000000, 0.0104642000000000, 0.0020728400000000 ] - [ 0.0005793500000000, 0.0000000000000000, -0.0001240700000000 ] - [ -0.0046405400000000, -0.0104642000000000, 0.0020728400000000 ] - [ 0.0052501500000000, 0.0000000000000000, -0.0127853300000000 ] - [ 0.0030547900000000, -0.0015680400000000, -0.0014948700000000 ] - [ 0.0030547900000000, 0.0015680400000000, -0.0014948700000000 ] - [ 0.0005006200000000, 0.0000000000000000, 0.0016145000000000 ] - [ 0.0003399200000000, 0.0009737100000000, 0.0005909100000000 ] - [ 0.0003399200000000, -0.0009737100000000, 0.0005909100000000 ] - [ 0.0213060000000000, 0.0000000000000000, -0.0183960700000000 ] - [ 0.0009536000000000, 0.0007410500000000, -0.0013247700000000 ] - [ 0.0009536000000000, -0.0007410500000000, -0.0013247700000000 ] - [ 0.0012854300000000, 0.0000000000000000, 0.0086147800000000 ] - [ 0.0007472300000000, -0.0005955300000000, 0.0020430500000000 ] - [ 0.0007472300000000, 0.0005955300000000, 0.0020430500000000 ] - [ -0.0021045900000000, -0.0002373500000000, 0.0013688800000000 ] - [ -0.0011820200000000, 0.0000000000000000, 0.0003848900000000 ] - [ -0.0021045900000000, 0.0002373500000000, 0.0013688800000000 ] - [ 0.0033715900000000, 0.0014629400000000, -0.0027772700000000 ] - [ -0.0003235700000000, 0.0000000000000000, -0.0008958300000000 ] - [ 0.0033715900000000, -0.0014629400000000, -0.0027772700000000 ] - [ -0.0030027100000000, -0.0021522800000000, -0.0025758500000000 ] - [ -0.0008795100000000, 0.0000000000000000, -0.0015041000000000 ] - [ -0.0030027100000000, 0.0021522800000000, -0.0025758500000000 ] - [ 0.0006248000000000, 0.0030101700000000, 0.0065686100000000 ] - [ -0.0001668600000000, 0.0000000000000000, 0.0004270800000000 ] - [ 0.0006248000000000, -0.0030101700000000, 0.0065686100000000 ] - [ -0.0057331500000000, 0.0000000000000000, -0.0680892700000000 ] - [ 0.0008159800000000, -0.0009182300000000, -0.0022461200000000 ] - [ 0.0008159800000000, 0.0009182300000000, -0.0022461200000000 ] - [ -0.0012022400000000, 0.0000000000000000, 0.0105113000000000 ] - [ 0.0000855500000000, 0.0007151700000000, 0.0032370700000000 ] - [ 0.0000855500000000, -0.0007151700000000, 0.0032370700000000 ] - [ 0.0070345300000000, 0.0003481300000000, -0.0192933600000000 ] - [ 0.0004053400000000, 0.0000000000000000, -0.0014128700000000 ] - [ 0.0070345300000000, -0.0003481300000000, -0.0192933600000000 ] - [ -0.0025110200000000, -0.0003946200000000, 0.0034858300000000 ] - [ -0.0013798800000000, 0.0000000000000000, 0.0018666900000000 ] - [ -0.0025110200000000, 0.0003946200000000, 0.0034858300000000 ] - [ -0.0058688100000000, 0.0000000000000000, 0.0038536800000000 ] - [ -0.0010029900000000, -0.0013460100000000, 0.0011078400000000 ] - [ -0.0010029900000000, 0.0013460100000000, 0.0011078400000000 ] - [ -0.0029127200000000, 0.0000000000000000, -0.0122778700000000 ] - [ 0.0022712000000000, 0.0006626300000000, -0.0020978400000000 ] - [ 0.0022712000000000, -0.0006626300000000, -0.0020978400000000 ] - [ -0.0010319900000000, 0.0000000000000000, -0.0000008500000000 ] - [ -0.0008522500000000, -0.0001117400000000, 0.0001802100000000 ] - [ -0.0008522500000000, 0.0001117400000000, 0.0001802100000000 ] - [ -0.0011062500000000, 0.0000000000000000, 0.0001541300000000 ] - [ -0.0009979200000000, 0.0004052200000000, 0.0001698800000000 ] - [ -0.0009979200000000, -0.0004052200000000, 0.0001698800000000 ] - [ -0.0008780800000000, 0.0049412700000000, -0.0008035700000000 ] - [ 0.0001923000000000, 0.0000000000000000, -0.0004680200000000 ] - [ -0.0008780800000000, -0.0049412700000000, -0.0008035700000000 ] - [ 0.0016199600000000, -0.0014036800000000, 0.0006812300000000 ] - [ 0.0014131800000000, 0.0000000000000000, 0.0001101500000000 ] - [ 0.0016199600000000, 0.0014036800000000, 0.0006812300000000 ] - [ -0.0025564500000000, -0.0007319200000000, -0.0015420500000000 ] - [ -0.0003941300000000, 0.0000000000000000, -0.0004011300000000 ] - [ -0.0025564500000000, 0.0007319200000000, -0.0015420500000000 ] - [ 0.0018471900000000, 0.0000081400000000, 0.0010608100000000 ] - [ 0.0010993100000000, 0.0000000000000000, 0.0004864300000000 ] - [ 0.0018471900000000, -0.0000081400000000, 0.0010608100000000 ] - [ 0.0119057200000000, 0.0000000000000000, 0.0064723500000000 ] - [ 0.0016039200000000, -0.0005353500000000, 0.0007854600000000 ] - [ 0.0016039200000000, 0.0005353500000000, 0.0007854600000000 ] - [ -0.0091191200000000, 0.0000000000000000, -0.0028497800000000 ] - [ -0.0021778400000000, 0.0006050000000000, -0.0005673000000000 ] - [ -0.0021778400000000, -0.0006050000000000, -0.0005673000000000 ] - [ 0.0015163200000000, 0.0000000000000000, -0.0092504300000000 ] - [ -0.0000479100000000, 0.0000909500000000, -0.0029107100000000 ] - [ -0.0000479100000000, -0.0000909500000000, -0.0029107100000000 ] - [ -0.0012574000000000, 0.0000000000000000, 0.0047384500000000 ] - [ -0.0007782200000000, -0.0000088000000000, 0.0015568200000000 ] - [ -0.0007782200000000, 0.0000088000000000, 0.0015568200000000 ] - [ -0.0003379400000000, 0.0001446000000000, -0.0004063200000000 ] - [ 0.0001831900000000, 0.0000000000000000, -0.0000482500000000 ] - [ -0.0003379400000000, -0.0001446000000000, -0.0004063200000000 ] - [ 0.0009708500000000, 0.0000359300000000, 0.0011941100000000 ] - [ 0.0006985800000000, 0.0000000000000000, 0.0009362300000000 ] - [ 0.0009708500000000, -0.0000359300000000, 0.0011941100000000 ] - [ -0.0051375100000000, 0.0000000000000000, 0.0013283400000000 ] - [ -0.0017045600000000, 0.0004153800000000, 0.0001523900000000 ] - [ -0.0017045600000000, -0.0004153800000000, 0.0001523900000000 ] - [ 0.0013808100000000, 0.0000000000000000, 0.0011534200000000 ] - [ 0.0002131200000000, -0.0001361700000000, 0.0004747300000000 ] - [ 0.0002131200000000, 0.0001361700000000, 0.0004747300000000 ] - [ 0.0019167200000000, -0.0004101800000000, -0.0007363300000000 ] - [ 0.0011180700000000, 0.0000000000000000, -0.0005951800000000 ] - [ 0.0019167200000000, 0.0004101800000000, -0.0007363300000000 ] - [ -0.0007101400000000, 0.0006064300000000, 0.0001871400000000 ] - [ -0.0000684800000000, 0.0000000000000000, 0.0001060000000000 ] - [ -0.0007101400000000, -0.0006064300000000, 0.0001871400000000 ] - [ -0.0670050400000000, 0.0000000000000000, 0.2024834800000000 ] - [ -0.0013199700000000, -0.0006542600000000, 0.0030763600000000 ] - [ -0.0013199700000000, 0.0006542600000000, 0.0030763600000000 ] - [ 0.0028316900000000, 0.0000000000000000, -0.0099950900000000 ] - [ 0.0011988400000000, 0.0001757800000000, -0.0036648900000000 ] - [ 0.0011988400000000, -0.0001757800000000, -0.0036648900000000 ] - [ 0.0052687000000000, 0.0030910100000000, -0.0030238700000000 ] - [ 0.0018257000000000, 0.0000000000000000, -0.0004428600000000 ] - [ 0.0052687000000000, -0.0030910100000000, -0.0030238700000000 ] - [ -0.0095029400000000, -0.0265447500000000, -0.0072487200000000 ] - [ -0.0015459400000000, 0.0000000000000000, 0.0007971500000000 ] - [ -0.0095029400000000, 0.0265447500000000, -0.0072487200000000 ] - [ 0.0037774700000000, -0.0012143600000000, 0.0003118200000000 ] - [ 0.0012464400000000, 0.0000000000000000, 0.0001619600000000 ] - [ 0.0037774700000000, 0.0012143600000000, 0.0003118200000000 ] - [ -0.0018681900000000, 0.0005374600000000, -0.0010659000000000 ] - [ -0.0009801900000000, 0.0000000000000000, -0.0005810300000000 ] - [ -0.0018681900000000, -0.0005374600000000, -0.0010659000000000 ] - [ -0.0061778800000000, 0.0000000000000000, 0.0033815100000000 ] - [ -0.0014879100000000, 0.0003604200000000, 0.0014313100000000 ] - [ -0.0014879100000000, -0.0003604200000000, 0.0014313100000000 ] - [ 0.0042431600000000, 0.0000000000000000, -0.0028923500000000 ] - [ 0.0013950800000000, -0.0004115000000000, -0.0009242800000000 ] - [ 0.0013950800000000, 0.0004115000000000, -0.0009242800000000 ] - [ 0.0025695700000000, 0.0000000000000000, -0.0542600500000000 ] - [ -0.0016211600000000, 0.0086980200000000, -0.0016758200000000 ] - [ -0.0016211600000000, -0.0086980200000000, -0.0016758200000000 ] - [ 0.0361100600000000, 0.0000000000000000, -0.0248417700000000 ] - [ 0.0012337500000000, -0.0078132000000000, -0.0014714500000000 ] - [ 0.0012337500000000, 0.0078132000000000, -0.0014714500000000 ] - [ 0.0070594300000000, 0.0191871100000000, 0.0119722800000000 ] - [ 0.0004155200000000, 0.0000000000000000, 0.0028670400000000 ] - [ 0.0070594300000000, -0.0191871100000000, 0.0119722800000000 ] - [ 0.0003576300000000, -0.0012497600000000, -0.0062199500000000 ] - [ -0.0003304800000000, 0.0000000000000000, -0.0009328400000000 ] - [ 0.0003576300000000, 0.0012497600000000, -0.0062199500000000 ] - [ 0.0006644600000000, -0.0000914100000000, -0.0006816800000000 ] - [ 0.0004257900000000, 0.0000000000000000, -0.0006576000000000 ] - [ 0.0006644600000000, 0.0000914100000000, -0.0006816800000000 ] - [ -0.0009424300000000, -0.0002746300000000, 0.0001411300000000 ] - [ 0.0005711600000000, 0.0000000000000000, -0.0007441600000000 ] - [ -0.0009424300000000, 0.0002746300000000, 0.0001411300000000 ] - [ 0.0149931500000000, 0.0000000000000000, 0.0117327400000000 ] - [ 0.0000576200000000, -0.0030069600000000, 0.0037946000000000 ] - [ 0.0000576200000000, 0.0030069600000000, 0.0037946000000000 ] - [ -0.0035272400000000, 0.0000000000000000, -0.0089097600000000 ] - [ -0.0010826200000000, 0.0010489800000000, -0.0021534500000000 ] - [ -0.0010826200000000, -0.0010489800000000, -0.0021534500000000 ]- atom: 121 displacement: [ 0.0099999992707097, 0.0000000000000000, -0.0000038191367309 ] forces: - [ 0.0327808800000000, 0.0354329600000000, -0.0038844700000000 ] - [ -0.0015592200000000, 0.0000000000000000, 0.0012209100000000 ] - [ 0.0327808800000000, -0.0354329600000000, -0.0038844700000000 ] - [ -0.0001437300000000, 0.0008091500000000, 0.0007518800000000 ] - [ -0.0004427000000000, 0.0000000000000000, 0.0004720700000000 ] - [ -0.0001437300000000, -0.0008091500000000, 0.0007518800000000 ] - [ 0.0031941000000000, 0.0000000000000000, -0.0012019800000000 ] - [ 0.0017214100000000, -0.0020583000000000, -0.0012075000000000 ] - [ 0.0017214100000000, 0.0020583000000000, -0.0012075000000000 ] - [ -0.0048650400000000, 0.0000000000000000, 0.0039861700000000 ] - [ -0.0002343500000000, -0.0025039800000000, 0.0000557300000000 ] - [ -0.0002343500000000, 0.0025039800000000, 0.0000557300000000 ] - [ 0.0033755000000000, 0.0000000000000000, 0.0033004800000000 ] - [ 0.0023264700000000, 0.0003082600000000, 0.0007908500000000 ] - [ 0.0023264700000000, -0.0003082600000000, 0.0007908500000000 ] - [ 0.0351811200000000, 0.0000000000000000, 0.0021606500000000 ] - [ 0.0054159400000000, -0.0009436400000000, 0.0030536100000000 ] - [ 0.0054159400000000, 0.0009436400000000, 0.0030536100000000 ] - [ -0.0111397000000000, -0.0033436800000000, -0.0014222500000000 ] - [ -0.0023509600000000, 0.0000000000000000, -0.0007243200000000 ] - [ -0.0111397000000000, 0.0033436800000000, -0.0014222500000000 ] - [ -0.0022390900000000, -0.0000977900000000, -0.0023531300000000 ] - [ -0.0016867100000000, 0.0000000000000000, -0.0011220400000000 ] - [ -0.0022390900000000, 0.0000977900000000, -0.0023531300000000 ] - [ -0.0022787200000000, -0.0054045900000000, -0.0128798900000000 ] - [ -0.0007805100000000, 0.0000000000000000, -0.0012022400000000 ] - [ -0.0022787200000000, 0.0054045900000000, -0.0128798900000000 ] - [ -0.0007535700000000, -0.0002944000000000, 0.0017906800000000 ] - [ -0.0005891800000000, 0.0000000000000000, 0.0002495600000000 ] - [ -0.0007535700000000, 0.0002944000000000, 0.0017906800000000 ] - [ 0.0313778700000000, 0.0000000000000000, -0.0241245200000000 ] - [ 0.0022843900000000, -0.0007479300000000, -0.0020513800000000 ] - [ 0.0022843900000000, 0.0007479300000000, -0.0020513800000000 ] - [ 0.0024031300000000, 0.0000000000000000, 0.0037163300000000 ] - [ 0.0010785700000000, -0.0005906000000000, 0.0026737600000000 ] - [ 0.0010785700000000, 0.0005906000000000, 0.0026737600000000 ] - [ 0.0019793300000000, 0.0009556800000000, 0.0003104900000000 ] - [ 0.0000234000000000, 0.0000000000000000, -0.0003994100000000 ] - [ 0.0019793300000000, -0.0009556800000000, 0.0003104900000000 ] - [ -0.0035409500000000, -0.0090895700000000, 0.0091800800000000 ] - [ -0.0004192900000000, 0.0000000000000000, 0.0008800900000000 ] - [ -0.0035409500000000, 0.0090895700000000, 0.0091800800000000 ] - [ 0.0380033600000000, 0.0000000000000000, 0.0038186200000000 ] - [ 0.0019730300000000, -0.0011975000000000, -0.0001252400000000 ] - [ 0.0019730300000000, 0.0011975000000000, -0.0001252400000000 ] - [ 0.0019571500000000, 0.0000000000000000, 0.0000375300000000 ] - [ 0.0012092300000000, 0.0000977200000000, -0.0002556700000000 ] - [ 0.0012092300000000, -0.0000977200000000, -0.0002556700000000 ] - [ -0.0056935300000000, 0.0000000000000000, 0.0004439400000000 ] - [ -0.0030465800000000, 0.0007953700000000, 0.0004016700000000 ] - [ -0.0030465800000000, -0.0007953700000000, 0.0004016700000000 ] - [ -0.0025512300000000, 0.0000000000000000, -0.0005726500000000 ] - [ -0.0015311300000000, 0.0004609100000000, -0.0001565300000000 ] - [ -0.0015311300000000, -0.0004609100000000, -0.0001565300000000 ] - [ -0.0001260400000000, 0.0034843400000000, 0.0005114300000000 ] - [ 0.0004242800000000, 0.0000000000000000, 0.0000222700000000 ] - [ -0.0001260400000000, -0.0034843400000000, 0.0005114300000000 ] - [ 0.0000951500000000, 0.0108491600000000, -0.0060381100000000 ] - [ 0.0003769400000000, 0.0000000000000000, -0.0000412200000000 ] - [ 0.0000951500000000, -0.0108491600000000, -0.0060381100000000 ] - [ -0.0030133900000000, 0.0000969100000000, -0.0020464700000000 ] - [ -0.0010867100000000, 0.0000000000000000, -0.0007637800000000 ] - [ -0.0030133900000000, -0.0000969100000000, -0.0020464700000000 ] - [ -0.0054236300000000, 0.0002975400000000, -0.0015259000000000 ] - [ -0.0014107800000000, 0.0000000000000000, -0.0004513800000000 ] - [ -0.0054236300000000, -0.0002975400000000, -0.0015259000000000 ] - [ 0.1848457000000000, 0.0000000000000000, 0.0278836700000000 ] - [ 0.0046295900000000, 0.0017289800000000, 0.0015074600000000 ] - [ 0.0046295900000000, -0.0017289800000000, 0.0015074600000000 ] - [ 0.0017105400000000, 0.0000000000000000, 0.0018840000000000 ] - [ 0.0006667800000000, 0.0002600400000000, 0.0005498800000000 ] - [ 0.0006667800000000, -0.0002600400000000, 0.0005498800000000 ] - [ -0.0093977400000000, 0.0000000000000000, 0.0146542600000000 ] - [ -0.0007365700000000, 0.0010935100000000, 0.0004277100000000 ] - [ -0.0007365700000000, -0.0010935100000000, 0.0004277100000000 ] - [ 0.0002457800000000, 0.0000000000000000, -0.0160408100000000 ] - [ -0.0001034000000000, 0.0009871100000000, -0.0018137200000000 ] - [ -0.0001034000000000, -0.0009871100000000, -0.0018137200000000 ] - [ -0.0009681000000000, 0.0002197300000000, -0.0000648700000000 ] - [ -0.0000329100000000, 0.0000000000000000, 0.0001996900000000 ] - [ -0.0009681000000000, -0.0002197300000000, -0.0000648700000000 ] - [ -0.0008141200000000, 0.0007269700000000, -0.0024735200000000 ] - [ 0.0000199200000000, 0.0000000000000000, -0.0004514600000000 ] - [ -0.0008141200000000, -0.0007269700000000, -0.0024735200000000 ] - [ -0.0029697800000000, 0.0000000000000000, 0.0006008100000000 ] - [ -0.0013818900000000, 0.0004371100000000, 0.0001604200000000 ] - [ -0.0013818900000000, -0.0004371100000000, 0.0001604200000000 ] - [ -0.0072300700000000, 0.0000000000000000, -0.0074861400000000 ] - [ -0.0013569500000000, 0.0018865900000000, -0.0000555900000000 ] - [ -0.0013569500000000, -0.0018865900000000, -0.0000555900000000 ] - [ -0.0090666800000000, 0.0057580400000000, -0.0001664900000000 ] - [ -0.0002182300000000, 0.0000000000000000, 0.0000551100000000 ] - [ -0.0090666800000000, -0.0057580400000000, -0.0001664900000000 ] - [ -0.0006784800000000, 0.0009571900000000, -0.0011099000000000 ] - [ 0.0000146000000000, 0.0000000000000000, -0.0005358100000000 ] - [ -0.0006784800000000, -0.0009571900000000, -0.0011099000000000 ] - [ -0.0069762500000000, 0.0000000000000000, -0.0050795400000000 ] - [ -0.0020516800000000, -0.0004153900000000, 0.0010799400000000 ] - [ -0.0020516800000000, 0.0004153900000000, 0.0010799400000000 ] - [ -0.0035586600000000, 0.0000000000000000, -0.0393634000000000 ] - [ -0.0024140700000000, 0.0039211700000000, -0.0019897700000000 ] - [ -0.0024140700000000, -0.0039211700000000, -0.0019897700000000 ] - [ 0.0195958100000000, 0.0400834900000000, -0.0012621500000000 ] - [ 0.0014745600000000, 0.0000000000000000, -0.0000098600000000 ] - [ 0.0195958100000000, -0.0400834900000000, -0.0012621500000000 ] - [ -0.0005333100000000, -0.0001857800000000, -0.0006294200000000 ] - [ -0.0001498000000000, 0.0000000000000000, 0.0002304300000000 ] - [ -0.0005333100000000, 0.0001857800000000, -0.0006294200000000 ] - [ 0.0032637100000000, -0.0008269600000000, 0.0004152300000000 ] - [ 0.0014219300000000, 0.0000000000000000, 0.0000740700000000 ] - [ 0.0032637100000000, 0.0008269600000000, 0.0004152300000000 ] - [ 0.0064712200000000, -0.0044607400000000, 0.0031095900000000 ] - [ 0.0017668100000000, 0.0000000000000000, 0.0000216600000000 ] - [ 0.0064712200000000, 0.0044607400000000, 0.0031095900000000 ] - [ 0.0469744200000000, 0.0000000000000000, -0.0007274700000000 ] - [ 0.0005001200000000, -0.0042248000000000, 0.0000357900000000 ] - [ 0.0005001200000000, 0.0042248000000000, 0.0000357900000000 ] - [ 0.0013013500000000, 0.0000000000000000, 0.0040414000000000 ] - [ 0.0002055700000000, -0.0006165700000000, 0.0011349200000000 ] - [ 0.0002055700000000, 0.0006165700000000, 0.0011349200000000 ] - [ -0.3860886200000000, 0.0000000000000000, -0.0093450400000000 ] - [ -0.0076645600000000, 0.0079631100000000, -0.0024922800000000 ] - [ -0.0076645600000000, -0.0079631100000000, -0.0024922800000000 ] - [ -0.0037338700000000, 0.0000000000000000, -0.0059828500000000 ] - [ -0.0015171000000000, -0.0004960000000000, -0.0031062700000000 ] - [ -0.0015171000000000, 0.0004960000000000, -0.0031062700000000 ] - [ -0.0006248500000000, 0.0020111300000000, 0.0137745400000000 ] - [ 0.0010764600000000, 0.0000000000000000, 0.0027432900000000 ] - [ -0.0006248500000000, -0.0020111300000000, 0.0137745400000000 ] - [ 0.0086277100000000, 0.0041675300000000, -0.0021745000000000 ] - [ 0.0015943500000000, 0.0000000000000000, 0.0008383400000000 ] - [ 0.0086277100000000, -0.0041675300000000, -0.0021745000000000 ] - [ 0.0136877200000000, -0.0007772200000000, 0.0011444100000000 ] - [ 0.0029841200000000, 0.0000000000000000, 0.0001166200000000 ] - [ 0.0136877200000000, 0.0007772200000000, 0.0011444100000000 ] - [ 0.0036521800000000, -0.0009574600000000, 0.0035749600000000 ] - [ 0.0021251400000000, 0.0000000000000000, 0.0009357400000000 ] - [ 0.0036521800000000, 0.0009574600000000, 0.0035749600000000 ] - [ 0.0038591300000000, 0.0000000000000000, -0.0129680800000000 ] - [ -0.0009170400000000, -0.0027481200000000, -0.0010682500000000 ] - [ -0.0009170400000000, 0.0027481200000000, -0.0010682500000000 ] - [ -0.0090042500000000, 0.0000000000000000, 0.0652718600000000 ] - [ -0.0053329500000000, -0.0085872700000000, 0.0002854400000000 ] - [ -0.0053329500000000, 0.0085872700000000, 0.0002854400000000 ]- atom: 121 displacement: [ -0.0099999992707097, 0.0000000000000000, 0.0000038191367309 ] forces: - [ -0.0353085000000000, -0.0348503700000000, 0.0042212800000000 ] - [ -0.0001947300000000, 0.0000000000000000, -0.0007445600000000 ] - [ -0.0353085000000000, 0.0348503700000000, 0.0042212800000000 ] - [ -0.0017140500000000, -0.0008131200000000, -0.0002274000000000 ] - [ -0.0014141400000000, 0.0000000000000000, 0.0000449100000000 ] - [ -0.0017140500000000, 0.0008131200000000, -0.0002274000000000 ] - [ -0.0012259600000000, 0.0000000000000000, 0.0007472700000000 ] - [ 0.0001500200000000, 0.0020555900000000, 0.0006964100000000 ] - [ 0.0001500200000000, -0.0020555900000000, 0.0006964100000000 ] - [ 0.0066913300000000, 0.0000000000000000, -0.0044827700000000 ] - [ 0.0020831000000000, 0.0024770900000000, -0.0005652000000000 ] - [ 0.0020831000000000, -0.0024770900000000, -0.0005652000000000 ] - [ -0.0023858500000000, 0.0000000000000000, -0.0029322200000000 ] - [ -0.0012296900000000, -0.0003055100000000, -0.0004818100000000 ] - [ -0.0012296900000000, 0.0003055100000000, -0.0004818100000000 ] - [ -0.0340377200000000, 0.0000000000000000, -0.0011985900000000 ] - [ -0.0043091900000000, 0.0009549400000000, -0.0028060100000000 ] - [ -0.0043091900000000, -0.0009549400000000, -0.0028060100000000 ] - [ 0.0099730700000000, 0.0033183100000000, 0.0011216600000000 ] - [ 0.0012372400000000, 0.0000000000000000, 0.0004205100000000 ] - [ 0.0099730700000000, -0.0033183100000000, 0.0011216600000000 ] - [ 0.0011386800000000, 0.0000997700000000, 0.0020660600000000 ] - [ 0.0005738500000000, 0.0000000000000000, 0.0008307000000000 ] - [ 0.0011386800000000, -0.0000997700000000, 0.0020660600000000 ] - [ 0.0013123400000000, 0.0053393700000000, 0.0117458200000000 ] - [ -0.0001899000000000, 0.0000000000000000, 0.0002047200000000 ] - [ 0.0013123400000000, -0.0053393700000000, 0.0117458200000000 ] - [ -0.0002310100000000, 0.0002918500000000, -0.0027620300000000 ] - [ -0.0003939100000000, 0.0000000000000000, -0.0012335600000000 ] - [ -0.0002310100000000, -0.0002918500000000, -0.0027620300000000 ] - [ -0.0303371500000000, 0.0000000000000000, 0.0241478500000000 ] - [ -0.0013017600000000, 0.0007624800000000, 0.0031123500000000 ] - [ -0.0013017600000000, -0.0007624800000000, 0.0031123500000000 ] - [ -0.0014422900000000, 0.0000000000000000, -0.0026298900000000 ] - [ -0.0000908700000000, 0.0005816600000000, -0.0016503600000000 ] - [ -0.0000908700000000, -0.0005816600000000, -0.0016503600000000 ] - [ -0.0030685200000000, -0.0009163600000000, 0.0002635600000000 ] - [ -0.0011398300000000, 0.0000000000000000, 0.0009301100000000 ] - [ -0.0030685200000000, 0.0009163600000000, 0.0002635600000000 ] - [ 0.0023976600000000, 0.0089778600000000, -0.0085942500000000 ] - [ -0.0006877000000000, 0.0000000000000000, -0.0003734300000000 ] - [ 0.0023976600000000, -0.0089778600000000, -0.0085942500000000 ] - [ -0.0332539000000000, 0.0000000000000000, -0.0052515500000000 ] - [ -0.0008112600000000, 0.0011324300000000, -0.0003995800000000 ] - [ -0.0008112600000000, -0.0011324300000000, -0.0003995800000000 ] - [ -0.0008405300000000, 0.0000000000000000, -0.0005185900000000 ] - [ -0.0000895100000000, -0.0000924000000000, -0.0002383600000000 ] - [ -0.0000895100000000, 0.0000924000000000, -0.0002383600000000 ] - [ 0.0038476000000000, 0.0000000000000000, 0.0000631600000000 ] - [ 0.0011903800000000, -0.0008139000000000, 0.0001077500000000 ] - [ 0.0011903800000000, 0.0008139000000000, 0.0001077500000000 ] - [ 0.0007054800000000, 0.0000000000000000, 0.0010912000000000 ] - [ -0.0003221300000000, -0.0004654100000000, 0.0006699900000000 ] - [ -0.0003221300000000, 0.0004654100000000, 0.0006699900000000 ] - [ 0.0019712000000000, -0.0034912800000000, -0.0010273900000000 ] - [ 0.0014244900000000, 0.0000000000000000, -0.0005338500000000 ] - [ 0.0019712000000000, 0.0034912800000000, -0.0010273900000000 ] - [ 0.0017530900000000, -0.0108793300000000, 0.0055419100000000 ] - [ 0.0014679900000000, 0.0000000000000000, -0.0004742900000000 ] - [ 0.0017530900000000, 0.0108793300000000, 0.0055419100000000 ] - [ 0.0041441200000000, -0.0000945600000000, 0.0023479100000000 ] - [ 0.0022173500000000, 0.0000000000000000, 0.0010689800000000 ] - [ 0.0041441200000000, 0.0000945600000000, 0.0023479100000000 ] - [ 0.0065375600000000, -0.0003037900000000, 0.0018257200000000 ] - [ 0.0025255800000000, 0.0000000000000000, 0.0007520100000000 ] - [ 0.0065375600000000, 0.0003037900000000, 0.0018257200000000 ] - [ -0.1975515800000000, 0.0000000000000000, -0.0323708100000000 ] - [ -0.0058149600000000, -0.0017575200000000, -0.0018302500000000 ] - [ -0.0058149600000000, 0.0017575200000000, -0.0018302500000000 ] - [ -0.0028448800000000, 0.0000000000000000, -0.0021709300000000 ] - [ -0.0017886200000000, -0.0002613900000000, -0.0008470000000000 ] - [ -0.0017886200000000, 0.0002613900000000, -0.0008470000000000 ] - [ 0.0084774000000000, 0.0000000000000000, -0.0157994500000000 ] - [ -0.0002549500000000, -0.0010991400000000, -0.0014357500000000 ] - [ -0.0002549500000000, 0.0010991400000000, -0.0014357500000000 ] - [ -0.0012072300000000, 0.0000000000000000, 0.0150456300000000 ] - [ -0.0008794500000000, -0.0009914800000000, 0.0007974700000000 ] - [ -0.0008794500000000, 0.0009914800000000, 0.0007974700000000 ] - [ 0.0019499500000000, -0.0002233100000000, 0.0010448300000000 ] - [ 0.0010165900000000, 0.0000000000000000, 0.0007863400000000 ] - [ 0.0019499500000000, 0.0002233100000000, 0.0010448300000000 ] - [ 0.0017975600000000, -0.0007330500000000, 0.0034979300000000 ] - [ 0.0009609600000000, 0.0000000000000000, 0.0014568500000000 ] - [ 0.0017975600000000, 0.0007330500000000, 0.0034979300000000 ] - [ 0.0018387500000000, 0.0000000000000000, -0.0000905400000000 ] - [ 0.0002554100000000, -0.0004407000000000, 0.0003502300000000 ] - [ 0.0002554100000000, 0.0004407000000000, 0.0003502300000000 ] - [ 0.0061230900000000, 0.0000000000000000, 0.0080042700000000 ] - [ 0.0002196700000000, -0.0019011700000000, 0.0005696500000000 ] - [ 0.0002196700000000, 0.0019011700000000, 0.0005696500000000 ] - [ 0.0102099800000000, -0.0057836000000000, -0.0003421700000000 ] - [ 0.0013283400000000, 0.0000000000000000, -0.0005684900000000 ] - [ 0.0102099800000000, 0.0057836000000000, -0.0003421700000000 ] - [ 0.0018050800000000, -0.0009616100000000, 0.0006025100000000 ] - [ 0.0011106000000000, 0.0000000000000000, 0.0000247100000000 ] - [ 0.0018050800000000, 0.0009616100000000, 0.0006025100000000 ] - [ 0.0068336100000000, 0.0000000000000000, 0.0041877700000000 ] - [ 0.0019368400000000, 0.0003913500000000, -0.0016015500000000 ] - [ 0.0019368400000000, -0.0003913500000000, -0.0016015500000000 ] - [ 0.0035444300000000, 0.0000000000000000, 0.0385075100000000 ] - [ 0.0022605300000000, -0.0038764200000000, 0.0015304200000000 ] - [ 0.0022605300000000, 0.0038764200000000, 0.0015304200000000 ] - [ -0.0193451200000000, -0.0396025800000000, 0.0017496300000000 ] - [ -0.0014140000000000, 0.0000000000000000, 0.0005004900000000 ] - [ -0.0193451200000000, 0.0396025800000000, 0.0017496300000000 ] - [ 0.0006411600000000, 0.0001845300000000, 0.0010513300000000 ] - [ 0.0002606700000000, 0.0000000000000000, 0.0002202800000000 ] - [ 0.0006411600000000, -0.0001845300000000, 0.0010513300000000 ] - [ -0.0033761600000000, 0.0008297100000000, -0.0008729600000000 ] - [ -0.0015358000000000, 0.0000000000000000, -0.0005382300000000 ] - [ -0.0033761600000000, -0.0008297100000000, -0.0008729600000000 ] - [ -0.0065837600000000, 0.0044941600000000, -0.0036006700000000 ] - [ -0.0018672600000000, 0.0000000000000000, -0.0004945700000000 ] - [ -0.0065837600000000, -0.0044941600000000, -0.0036006700000000 ] - [ -0.0472093800000000, 0.0000000000000000, 0.0011686500000000 ] - [ -0.0003551800000000, 0.0042540600000000, 0.0004388400000000 ] - [ -0.0003551800000000, -0.0042540600000000, 0.0004388400000000 ] - [ -0.0011877700000000, 0.0000000000000000, -0.0035997700000000 ] - [ -0.0000912500000000, 0.0006206200000000, -0.0006629800000000 ] - [ -0.0000912500000000, -0.0006206200000000, -0.0006629800000000 ] - [ 0.3960310300000000, 0.0000000000000000, 0.0142044400000000 ] - [ 0.0081584100000000, -0.0080782800000000, 0.0008299700000000 ] - [ 0.0081584100000000, 0.0080782800000000, 0.0008299700000000 ] - [ 0.0042884700000000, 0.0000000000000000, 0.0041940400000000 ] - [ 0.0020578700000000, 0.0004997400000000, 0.0013913500000000 ] - [ 0.0020578700000000, -0.0004997400000000, 0.0013913500000000 ] - [ -0.0000111200000000, -0.0020662800000000, -0.0120159200000000 ] - [ -0.0016359700000000, 0.0000000000000000, -0.0010710000000000 ] - [ -0.0000111200000000, 0.0020662800000000, -0.0120159200000000 ] - [ -0.0091136700000000, -0.0041393200000000, 0.0038226900000000 ] - [ -0.0021297900000000, 0.0000000000000000, 0.0008381900000000 ] - [ -0.0091136700000000, 0.0041393200000000, 0.0038226900000000 ] - [ -0.0131377300000000, 0.0007989100000000, -0.0028069900000000 ] - [ -0.0024454400000000, 0.0000000000000000, -0.0017938700000000 ] - [ -0.0131377300000000, -0.0007989100000000, -0.0028069900000000 ] - [ -0.0031284000000000, 0.0009650900000000, -0.0052861300000000 ] - [ -0.0015953600000000, 0.0000000000000000, -0.0026331000000000 ] - [ -0.0031284000000000, -0.0009650900000000, -0.0052861300000000 ] - [ -0.0043007900000000, 0.0000000000000000, 0.0147772200000000 ] - [ 0.0004098100000000, 0.0027532800000000, 0.0027606800000000 ] - [ 0.0004098100000000, -0.0027532800000000, 0.0027606800000000 ] - [ 0.0082842300000000, 0.0000000000000000, -0.0637886400000000 ] - [ 0.0048432300000000, 0.0086264400000000, 0.0014342500000000 ] - [ 0.0048432300000000, -0.0086264400000000, 0.0014342500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0209275900000000, 0.0957131800000000, -0.0092135700000000 ] - [ -0.0009273000000000, -0.0403445100000000, 0.0002592200000000 ] - [ -0.0206434900000000, 0.0871304800000000, 0.0089149900000000 ] - [ -0.0005375700000000, 0.0012513500000000, 0.0000773400000000 ] - [ -0.0009281200000000, -0.0024804300000000, 0.0002585300000000 ] - [ -0.0013194700000000, 0.0012413300000000, 0.0004463900000000 ] - [ 0.0009616200000000, 0.0076195600000000, -0.0002458200000000 ] - [ -0.0007755000000000, -0.0037754200000000, -0.0014988300000000 ] - [ 0.0026355400000000, -0.0037874500000000, 0.0009774000000000 ] - [ 0.0009123200000000, 0.0044982100000000, -0.0002460400000000 ] - [ -0.0007134100000000, -0.0023012300000000, 0.0006058600000000 ] - [ 0.0025547300000000, -0.0022928900000000, -0.0011132100000000 ] - [ 0.0005481600000000, 0.0012710900000000, 0.0001716600000000 ] - [ 0.0023427100000000, -0.0004882400000000, -0.0013508500000000 ] - [ -0.0012229800000000, -0.0004939000000000, 0.0016518900000000 ] - [ 0.0006538000000000, 0.0130148900000000, 0.0004230500000000 ] - [ 0.0049020200000000, -0.0062175600000000, 0.0086653300000000 ] - [ -0.0037410700000000, -0.0061842500000000, -0.0083290900000000 ] - [ -0.0029592400000000, 0.0011969700000000, 0.0000539900000000 ] - [ -0.0005694000000000, -0.0020394000000000, -0.0001526600000000 ] - [ 0.0017836900000000, 0.0012052800000000, -0.0003674100000000 ] - [ -0.0012525300000000, 0.0003804100000000, -0.0016141200000000 ] - [ -0.0005601600000000, -0.0007106300000000, -0.0001513000000000 ] - [ 0.0001442200000000, 0.0003773700000000, 0.0013164900000000 ] - [ -0.0074561700000000, 0.0011732900000000, -0.0132031300000000 ] - [ -0.0004945300000000, -0.0029656700000000, -0.0005153200000000 ] - [ 0.0064125900000000, 0.0011646200000000, 0.0120587600000000 ] - [ -0.0005194000000000, 0.0003315400000000, 0.0003116600000000 ] - [ -0.0004918900000000, -0.0006671600000000, -0.0004902400000000 ] - [ -0.0004658600000000, 0.0003319900000000, -0.0012851100000000 ] - [ 0.0006521700000000, 0.0233044300000000, -0.0002733100000000 ] - [ 0.0016836100000000, -0.0086654100000000, -0.0124772100000000 ] - [ -0.0006948800000000, -0.0086318800000000, 0.0134985400000000 ] - [ 0.0004898900000000, 0.0013219400000000, 0.0005237500000000 ] - [ -0.0001741800000000, -0.0006768000000000, 0.0022053100000000 ] - [ 0.0011555100000000, -0.0006740100000000, -0.0011743600000000 ] - [ -0.0004489700000000, 0.0019686000000000, -0.0022422600000000 ] - [ -0.0005604600000000, -0.0038532300000000, 0.0002519800000000 ] - [ -0.0006383600000000, 0.0019108400000000, 0.0028144400000000 ] - [ -0.0078593600000000, 0.0028622000000000, 0.0061084900000000 ] - [ -0.0005683400000000, -0.0056556000000000, 0.0002635300000000 ] - [ 0.0066736500000000, 0.0028723400000000, -0.0055284100000000 ] - [ 0.0002466000000000, 0.0322057200000000, -0.0001238500000000 ] - [ -0.0073489800000000, -0.0147184200000000, 0.0033514500000000 ] - [ 0.0084729100000000, -0.0146566600000000, -0.0038618300000000 ] - [ 0.0005615100000000, 0.0019089800000000, -0.0002446900000000 ] - [ 0.0005662800000000, -0.0009563100000000, -0.0007051600000000 ] - [ 0.0005548500000000, -0.0009692400000000, 0.0002050800000000 ] - [ -0.0009421500000000, 0.0030557800000000, 0.0002549300000000 ] - [ -0.0004067200000000, -0.0015203200000000, 0.0001884700000000 ] - [ -0.0014599800000000, -0.0015366400000000, 0.0003235200000000 ] - [ -0.0009308700000000, 0.0022162500000000, 0.0002568100000000 ] - [ -0.0005616800000000, -0.0010995600000000, 0.0002801900000000 ] - [ -0.0012948600000000, -0.0011073200000000, 0.0002330700000000 ] - [ 0.0009917700000000, 0.0015195000000000, -0.0004071300000000 ] - [ 0.0009260300000000, -0.0030052100000000, -0.0002560200000000 ] - [ 0.0008548300000000, 0.0014847000000000, -0.0001004400000000 ] - [ 0.0019077000000000, 0.0045288600000000, 0.0012253100000000 ] - [ 0.0009297100000000, -0.0087945900000000, -0.0002531300000000 ] - [ -0.0000453500000000, 0.0044270500000000, -0.0017868300000000 ] - [ -0.0019784000000000, 0.0003402500000000, -0.0014811900000000 ] - [ 0.0005536100000000, -0.0006673900000000, 0.0001474500000000 ] - [ 0.0030820400000000, 0.0003361700000000, 0.0017719300000000 ] - [ -0.0003214300000000, 0.0003509300000000, -0.0003222000000000 ] - [ 0.0005506500000000, -0.0007101000000000, 0.0001474100000000 ] - [ 0.0013979000000000, 0.0003491100000000, 0.0006033400000000 ] - [ -0.0002411300000000, 0.0213160400000000, -0.0001496100000000 ] - [ 0.0105672700000000, -0.0049874300000000, 0.0051481300000000 ] - [ -0.0116836300000000, -0.0049545800000000, -0.0054479100000000 ] - [ -0.0005536500000000, 0.0004008600000000, -0.0001369700000000 ] - [ -0.0003848900000000, -0.0002126300000000, -0.0001884600000000 ] - [ -0.0007248900000000, -0.0002151900000000, -0.0001029900000000 ] - [ -0.0005235700000000, 0.0015733500000000, -0.0004515900000000 ] - [ 0.0012243900000000, -0.0006818300000000, -0.0028076000000000 ] - [ -0.0022022800000000, -0.0006890500000000, 0.0018037500000000 ] - [ -0.0004836200000000, 0.0009351600000000, -0.0005400200000000 ] - [ -0.0000908800000000, -0.0004541400000000, 0.0028998500000000 ] - [ -0.0008861200000000, -0.0004619700000000, -0.0038956100000000 ] - [ 0.0000926200000000, 0.0003064900000000, 0.0003860900000000 ] - [ 0.0004898900000000, -0.0006067300000000, 0.0004923500000000 ] - [ 0.0008817600000000, 0.0003028500000000, 0.0006009800000000 ] - [ 0.0006660800000000, 0.0003667500000000, 0.0008715100000000 ] - [ 0.0004907200000000, -0.0007300100000000, 0.0004997500000000 ] - [ 0.0003107700000000, 0.0003633200000000, 0.0001240500000000 ] - [ -0.0005708700000000, 0.0011589900000000, 0.0002583500000000 ] - [ -0.0003072900000000, -0.0005781200000000, 0.0000611700000000 ] - [ -0.0008186600000000, -0.0005830700000000, 0.0004499500000000 ] - [ -0.0005709100000000, 0.0025767000000000, 0.0002351500000000 ] - [ 0.0015709500000000, -0.0011826300000000, 0.0009536600000000 ] - [ -0.0026897300000000, -0.0011966200000000, -0.0004461700000000 ] - [ 0.0020679400000000, 0.0015416800000000, -0.0001490300000000 ] - [ 0.0005623600000000, -0.0029555900000000, -0.0002559400000000 ] - [ -0.0010189500000000, 0.0014908300000000, -0.0003675700000000 ] - [ 0.0003272000000000, 0.0005848600000000, -0.0002060600000000 ] - [ 0.0005606300000000, -0.0011610000000000, -0.0002541700000000 ] - [ 0.0007923500000000, 0.0005774800000000, -0.0003039300000000 ] - [ -0.0000674500000000, -0.0067574100000000, -0.0003989200000000 ] - [ 0.0007209200000000, 0.0026697200000000, 0.0091355700000000 ] - [ -0.0008372600000000, 0.0027022200000000, -0.0095816800000000 ] - [ -0.0000830100000000, -0.0118988700000000, -0.0002617200000000 ] - [ 0.0041417200000000, 0.0050457000000000, -0.0071401400000000 ] - [ -0.0042481200000000, 0.0050153700000000, 0.0066263400000000 ] - [ 0.0458317700000000, -0.0016799300000000, -0.0053880200000000 ] - [ 0.0000774600000000, 0.0131699800000000, 0.0002430700000000 ] - [ -0.0452189500000000, -0.0017731900000000, 0.0058638400000000 ] - [ -0.0003783100000000, -0.0007421400000000, 0.0013929500000000 ] - [ 0.0000551600000000, 0.0014723800000000, 0.0002330200000000 ] - [ 0.0004877500000000, -0.0007374800000000, -0.0009602200000000 ] - [ 0.0010870400000000, -0.0006551000000000, 0.0000334500000000 ] - [ -0.0000520600000000, 0.0012991100000000, -0.0002334000000000 ] - [ -0.0011828100000000, -0.0006458800000000, -0.0005012000000000 ] - [ -0.0012431700000000, -0.0016530200000000, -0.0008949300000000 ] - [ -0.0000546800000000, 0.0032585800000000, -0.0002366500000000 ] - [ 0.0011632600000000, -0.0016303700000000, 0.0004487000000000 ] - [ 0.0002362200000000, -0.0047389900000000, 0.0002395200000000 ] - [ -0.0075430500000000, 0.0019886600000000, 0.0009640000000000 ] - [ 0.0076317500000000, 0.0020216700000000, -0.0004892600000000 ] - [ 0.0000592300000000, -0.0012855300000000, 0.0002374100000000 ] - [ -0.0004267800000000, 0.0006456100000000, -0.0010211200000000 ] - [ 0.0005375900000000, 0.0006513200000000, 0.0014870100000000 ] - [ -0.0025118400000000, -0.3493359000000000, 0.0002985100000000 ] - [ -0.0077551900000000, 0.0917764200000000, -0.0010634200000000 ] - [ 0.0082843100000000, 0.0912981700000000, -0.0006658600000000 ] - [ 0.0002621300000000, -0.0025733400000000, -0.0008831200000000 ] - [ 0.0007644000000000, 0.0012841900000000, -0.0010943000000000 ] - [ -0.0002314800000000, 0.0012930100000000, -0.0006247700000000 ] - [ 0.0017460900000000, -0.0040723600000000, 0.0132009700000000 ] - [ -0.0002650300000000, 0.0080105800000000, 0.0008592400000000 ] - [ -0.0023405300000000, -0.0040103400000000, -0.0114275400000000 ] - [ 0.0039229600000000, -0.0022376700000000, -0.0000019800000000 ] - [ -0.0002526600000000, 0.0044572600000000, 0.0008374900000000 ] - [ -0.0043817500000000, -0.0022532500000000, 0.0016709400000000 ] - [ 0.0010947900000000, -0.0014541100000000, -0.0004409200000000 ] - [ 0.0002765800000000, 0.0029215900000000, -0.0008360700000000 ] - [ -0.0004825100000000, -0.0014418900000000, -0.0012237300000000 ] - [ 0.0012308400000000, -0.0011886300000000, 0.0000018600000000 ] - [ 0.0002702500000000, 0.0023661100000000, -0.0008437800000000 ] - [ -0.0006918400000000, -0.0011793000000000, -0.0016834600000000 ] - [ -0.0002325800000000, -0.0033587200000000, 0.0007967000000000 ] - [ -0.0030182200000000, 0.0015958400000000, 0.0029996600000000 ] - [ 0.0024817800000000, 0.0016230200000000, -0.0013139300000000 ] - [ -0.0003268100000000, -0.0147434900000000, 0.0010805900000000 ] - [ -0.0089147300000000, 0.0056847700000000, -0.0097148800000000 ] - [ 0.0083058800000000, 0.0057331100000000, 0.0113602200000000 ]- atom: 121 displacement: [ -0.0030426590634358, 0.0000000000000000, 0.0095258713944548 ] forces: - [ -0.0161506400000000, -0.0266098900000000, 0.0211259000000000 ] - [ -0.0000751300000000, 0.0000000000000000, 0.0012796900000000 ] - [ -0.0161506400000000, 0.0266098900000000, 0.0211259000000000 ] - [ 0.0002874400000000, -0.0001793300000000, -0.0019318000000000 ] - [ -0.0004056600000000, 0.0000000000000000, -0.0004989900000000 ] - [ 0.0002874400000000, 0.0001793300000000, -0.0019318000000000 ] - [ -0.0110345800000000, 0.0000000000000000, -0.0063847300000000 ] - [ 0.0004864200000000, -0.0038120900000000, -0.0003571100000000 ] - [ 0.0004864200000000, 0.0038120900000000, -0.0003571100000000 ] - [ 0.0036335400000000, 0.0000000000000000, -0.0012594800000000 ] - [ 0.0017560200000000, 0.0021629900000000, -0.0005005800000000 ] - [ 0.0017560200000000, -0.0021629900000000, -0.0005005800000000 ] - [ 0.0124551600000000, 0.0000000000000000, -0.0110078100000000 ] - [ 0.0015802600000000, -0.0010200500000000, -0.0008800000000000 ] - [ 0.0015802600000000, 0.0010200500000000, -0.0008800000000000 ] - [ -0.0289356600000000, 0.0000000000000000, -0.0058207700000000 ] - [ 0.0009889200000000, 0.0016109300000000, 0.0014790700000000 ] - [ 0.0009889200000000, -0.0016109300000000, 0.0014790700000000 ] - [ 0.0030995500000000, 0.0016080300000000, 0.0016137900000000 ] - [ -0.0004062900000000, 0.0000000000000000, 0.0005384400000000 ] - [ 0.0030995500000000, -0.0016080300000000, 0.0016137900000000 ] - [ -0.0037679000000000, -0.0004664700000000, -0.0034545600000000 ] - [ -0.0014730400000000, 0.0000000000000000, -0.0012735900000000 ] - [ -0.0037679000000000, 0.0004664700000000, -0.0034545600000000 ] - [ -0.0033067100000000, -0.0011993900000000, 0.0056058700000000 ] - [ -0.0005332000000000, 0.0000000000000000, 0.0015491600000000 ] - [ -0.0033067100000000, 0.0011993900000000, 0.0056058700000000 ] - [ -0.0002400100000000, 0.0000860500000000, -0.0039299900000000 ] - [ -0.0004792700000000, 0.0000000000000000, -0.0023740100000000 ] - [ -0.0002400100000000, -0.0000860500000000, -0.0039299900000000 ] - [ -0.0363125700000000, 0.0000000000000000, 0.3126841500000000 ] - [ -0.0005921800000000, -0.0010556300000000, 0.0068127300000000 ] - [ -0.0005921800000000, 0.0010556300000000, 0.0068127300000000 ] - [ 0.0047698200000000, 0.0000000000000000, -0.0131742400000000 ] - [ 0.0008156700000000, 0.0006449800000000, -0.0030121500000000 ] - [ 0.0008156700000000, -0.0006449800000000, -0.0030121500000000 ] - [ -0.0043954400000000, -0.0082576900000000, -0.0092334500000000 ] - [ -0.0002827300000000, 0.0000000000000000, 0.0000128300000000 ] - [ -0.0043954400000000, 0.0082576900000000, -0.0092334500000000 ] - [ 0.0057062400000000, 0.0062384700000000, -0.0025894200000000 ] - [ -0.0003036700000000, 0.0000000000000000, 0.0004487100000000 ] - [ 0.0057062400000000, -0.0062384700000000, -0.0025894200000000 ] - [ -0.0224739400000000, 0.0000000000000000, 0.0297439800000000 ] - [ 0.0000033000000000, 0.0002255200000000, 0.0015786300000000 ] - [ 0.0000033000000000, -0.0002255200000000, 0.0015786300000000 ] - [ 0.0019767700000000, 0.0000000000000000, -0.0051834200000000 ] - [ 0.0014498400000000, -0.0017135500000000, -0.0026947600000000 ] - [ 0.0014498400000000, 0.0017135500000000, -0.0026947600000000 ] - [ -0.0002494500000000, 0.0000000000000000, 0.0016489600000000 ] - [ -0.0007428200000000, 0.0003972100000000, 0.0008413500000000 ] - [ -0.0007428200000000, -0.0003972100000000, 0.0008413500000000 ] - [ -0.0026081900000000, 0.0000000000000000, -0.0015125800000000 ] - [ -0.0014254700000000, -0.0001392000000000, -0.0005007400000000 ] - [ -0.0014254700000000, 0.0001392000000000, -0.0005007400000000 ] - [ 0.0026373600000000, -0.0032307200000000, -0.0009934000000000 ] - [ 0.0016671300000000, 0.0000000000000000, -0.0005110600000000 ] - [ 0.0026373600000000, 0.0032307200000000, -0.0009934000000000 ] - [ -0.0037759500000000, 0.0102782900000000, 0.0011452200000000 ] - [ -0.0004348900000000, 0.0000000000000000, 0.0002759600000000 ] - [ -0.0037759500000000, -0.0102782900000000, 0.0011452200000000 ] - [ -0.0030477500000000, -0.0005687400000000, -0.0022989600000000 ] - [ -0.0005215700000000, 0.0000000000000000, -0.0006564400000000 ] - [ -0.0030477500000000, 0.0005687400000000, -0.0022989600000000 ] - [ 0.0016485300000000, 0.0003361400000000, 0.0013237000000000 ] - [ 0.0006155000000000, 0.0000000000000000, 0.0005331700000000 ] - [ 0.0016485300000000, -0.0003361400000000, 0.0013237000000000 ] - [ -0.0028841000000000, 0.0000000000000000, 0.0371055200000000 ] - [ -0.0007593800000000, 0.0000632100000000, 0.0022496400000000 ] - [ -0.0007593800000000, -0.0000632100000000, 0.0022496400000000 ] - [ 0.0013440600000000, 0.0000000000000000, -0.0048003900000000 ] - [ -0.0001663900000000, -0.0000989000000000, -0.0013557000000000 ] - [ -0.0001663900000000, 0.0000989000000000, -0.0013557000000000 ] - [ 0.0039973500000000, 0.0000000000000000, 0.0005471100000000 ] - [ -0.0000040900000000, -0.0006640100000000, 0.0008203500000000 ] - [ -0.0000040900000000, 0.0006640100000000, 0.0008203500000000 ] - [ -0.0028891900000000, 0.0000000000000000, -0.0106880000000000 ] - [ -0.0006322600000000, 0.0006588800000000, -0.0029631500000000 ] - [ -0.0006322600000000, -0.0006588800000000, -0.0029631500000000 ] - [ 0.0006052100000000, -0.0001490800000000, 0.0035016000000000 ] - [ 0.0005065000000000, 0.0000000000000000, 0.0020551900000000 ] - [ 0.0006052100000000, 0.0001490800000000, 0.0035016000000000 ] - [ -0.0004493500000000, 0.0003529900000000, -0.0034722500000000 ] - [ 0.0002003900000000, 0.0000000000000000, -0.0014556500000000 ] - [ -0.0004493500000000, -0.0003529900000000, -0.0034722500000000 ] - [ 0.0012009600000000, 0.0000000000000000, -0.0011902700000000 ] - [ -0.0001277300000000, -0.0003952000000000, -0.0002573100000000 ] - [ -0.0001277300000000, 0.0003952000000000, -0.0002573100000000 ] - [ -0.0061131400000000, 0.0000000000000000, 0.0061645100000000 ] - [ -0.0018627100000000, 0.0011092500000000, 0.0010048400000000 ] - [ -0.0018627100000000, -0.0011092500000000, 0.0010048400000000 ] - [ 0.0006853100000000, 0.0001951000000000, 0.0022928700000000 ] - [ 0.0002965400000000, 0.0000000000000000, 0.0009680100000000 ] - [ 0.0006853100000000, -0.0001951000000000, 0.0022928700000000 ] - [ -0.0000271700000000, 0.0003656800000000, -0.0025274700000000 ] - [ 0.0004121800000000, 0.0000000000000000, -0.0013710300000000 ] - [ -0.0000271700000000, -0.0003656800000000, -0.0025274700000000 ] - [ 0.0049532500000000, 0.0000000000000000, 0.0554512900000000 ] - [ -0.0010904600000000, 0.0057372400000000, -0.0003455900000000 ] - [ -0.0010904600000000, -0.0057372400000000, -0.0003455900000000 ] - [ -0.0327118900000000, 0.0000000000000000, 0.0247198100000000 ] - [ -0.0007418300000000, -0.0040241000000000, 0.0004851100000000 ] - [ -0.0007418300000000, 0.0040241000000000, 0.0004851100000000 ] - [ -0.0078258400000000, -0.0161229800000000, -0.0109400400000000 ] - [ -0.0005571000000000, 0.0000000000000000, -0.0017579100000000 ] - [ -0.0078258400000000, 0.0161229800000000, -0.0109400400000000 ] - [ 0.0000572300000000, 0.0007934400000000, 0.0075062800000000 ] - [ 0.0003151300000000, 0.0000000000000000, 0.0020684600000000 ] - [ 0.0000572300000000, -0.0007934400000000, 0.0075062800000000 ] - [ -0.0000022000000000, 0.0008213500000000, -0.0002478600000000 ] - [ -0.0001447300000000, 0.0000000000000000, -0.0003960300000000 ] - [ -0.0000022000000000, -0.0008213500000000, -0.0002478600000000 ] - [ 0.0035786100000000, -0.0018174900000000, -0.0004422000000000 ] - [ 0.0010956900000000, 0.0000000000000000, 0.0001285900000000 ] - [ 0.0035786100000000, 0.0018174900000000, -0.0004422000000000 ] - [ -0.0049448700000000, 0.0000000000000000, -0.0074508300000000 ] - [ -0.0000834900000000, 0.0002648000000000, -0.0026667200000000 ] - [ -0.0000834900000000, -0.0002648000000000, -0.0026667200000000 ] - [ 0.0005455500000000, 0.0000000000000000, 0.0090915800000000 ] - [ 0.0001493800000000, -0.0001670600000000, 0.0030022100000000 ] - [ 0.0001493800000000, 0.0001670600000000, 0.0030022100000000 ] - [ 0.1077055400000000, 0.0000000000000000, -0.4717061800000000 ] - [ 0.0010894200000000, -0.0023296700000000, -0.0094879200000000 ] - [ 0.0010894200000000, 0.0023296700000000, -0.0094879200000000 ] - [ -0.0033497800000000, 0.0000000000000000, 0.0163032600000000 ] - [ -0.0013316900000000, 0.0003845600000000, 0.0037889600000000 ] - [ -0.0013316900000000, -0.0003845600000000, 0.0037889600000000 ] - [ 0.0121225300000000, 0.0111275100000000, 0.0055870800000000 ] - [ 0.0011351600000000, 0.0000000000000000, 0.0005422400000000 ] - [ 0.0121225300000000, -0.0111275100000000, 0.0055870800000000 ] - [ -0.0057957200000000, -0.0020504200000000, 0.0033316300000000 ] - [ -0.0008316800000000, 0.0000000000000000, 0.0016464900000000 ] - [ -0.0057957200000000, 0.0020504200000000, 0.0033316300000000 ] - [ -0.0019227700000000, -0.0001313300000000, -0.0052610200000000 ] - [ 0.0003526800000000, 0.0000000000000000, -0.0030024300000000 ] - [ -0.0019227700000000, 0.0001313300000000, -0.0052610200000000 ] - [ 0.0034591500000000, -0.0005067800000000, 0.0053396800000000 ] - [ 0.0014008400000000, 0.0000000000000000, 0.0020357200000000 ] - [ 0.0034591500000000, 0.0005067800000000, 0.0053396800000000 ] - [ -0.0147567200000000, 0.0000000000000000, 0.0081126600000000 ] - [ -0.0018879300000000, 0.0029005200000000, 0.0014931900000000 ] - [ -0.0018879300000000, -0.0029005200000000, 0.0014931900000000 ] - [ 0.0635681500000000, 0.0000000000000000, 0.0165871100000000 ] - [ 0.0007320700000000, -0.0074040500000000, 0.0010311000000000 ] - [ 0.0007320700000000, 0.0074040500000000, 0.0010311000000000 ]- atom: 121 displacement: [ 0.0030426590634358, 0.0000000000000000, -0.0095258713944548 ] forces: - [ 0.0140641600000000, 0.0264032900000000, -0.0200980100000000 ] - [ -0.0017168800000000, 0.0000000000000000, -0.0007810300000000 ] - [ 0.0140641600000000, -0.0264032900000000, -0.0200980100000000 ] - [ -0.0021432800000000, 0.0001586600000000, 0.0024443900000000 ] - [ -0.0014529700000000, 0.0000000000000000, 0.0010134400000000 ] - [ -0.0021432800000000, -0.0001586600000000, 0.0024443900000000 ] - [ 0.0128584200000000, 0.0000000000000000, 0.0058484700000000 ] - [ 0.0013715100000000, 0.0038009200000000, -0.0001499400000000 ] - [ 0.0013715100000000, -0.0038009200000000, -0.0001499400000000 ] - [ -0.0018097800000000, 0.0000000000000000, 0.0007491700000000 ] - [ 0.0000936500000000, -0.0021813700000000, -0.0000150000000000 ] - [ 0.0000936500000000, 0.0021813700000000, -0.0000150000000000 ] - [ -0.0113047400000000, 0.0000000000000000, 0.0112628200000000 ] - [ -0.0004652200000000, 0.0010141100000000, 0.0011863600000000 ] - [ -0.0004652200000000, -0.0010141100000000, 0.0011863600000000 ] - [ 0.0304128100000000, 0.0000000000000000, 0.0041017500000000 ] - [ 0.0001346600000000, -0.0016200200000000, -0.0012084500000000 ] - [ 0.0001346600000000, 0.0016200200000000, -0.0012084500000000 ] - [ -0.0042192900000000, -0.0016017700000000, -0.0019275900000000 ] - [ -0.0007082900000000, 0.0000000000000000, -0.0008433300000000 ] - [ -0.0042192900000000, 0.0016017700000000, -0.0019275900000000 ] - [ 0.0026434500000000, 0.0004621800000000, 0.0031547300000000 ] - [ 0.0003554700000000, 0.0000000000000000, 0.0009782700000000 ] - [ 0.0026434500000000, -0.0004621800000000, 0.0031547300000000 ] - [ 0.0023365700000000, 0.0011757200000000, -0.0065761800000000 ] - [ -0.0004427400000000, 0.0000000000000000, -0.0025323000000000 ] - [ 0.0023365700000000, -0.0011757200000000, -0.0065761800000000 ] - [ -0.0007459900000000, -0.0000899000000000, 0.0029279500000000 ] - [ -0.0005050400000000, 0.0000000000000000, 0.0013734900000000 ] - [ -0.0007459900000000, 0.0000899000000000, 0.0029279500000000 ] - [ 0.0363543000000000, 0.0000000000000000, -0.2933882800000000 ] - [ 0.0015540400000000, 0.0010552800000000, -0.0057385700000000 ] - [ 0.0015540400000000, -0.0010552800000000, -0.0057385700000000 ] - [ -0.0038137700000000, 0.0000000000000000, 0.0142432200000000 ] - [ 0.0001679200000000, -0.0006529300000000, 0.0040153100000000 ] - [ 0.0001679200000000, 0.0006529300000000, 0.0040153100000000 ] - [ 0.0032546400000000, 0.0082440800000000, 0.0097368000000000 ] - [ -0.0008401400000000, 0.0000000000000000, 0.0005101400000000 ] - [ 0.0032546400000000, -0.0082440800000000, 0.0097368000000000 ] - [ -0.0068771100000000, -0.0063070500000000, 0.0030927200000000 ] - [ -0.0008113200000000, 0.0000000000000000, 0.0000476300000000 ] - [ -0.0068771100000000, 0.0063070500000000, 0.0030927200000000 ] - [ 0.0249239700000000, 0.0000000000000000, -0.0303754800000000 ] - [ 0.0011488300000000, -0.0002417500000000, -0.0021272600000000 ] - [ 0.0011488300000000, 0.0002417500000000, -0.0021272600000000 ] - [ -0.0008605300000000, 0.0000000000000000, 0.0046674900000000 ] - [ -0.0003290500000000, 0.0017060500000000, 0.0021852700000000 ] - [ -0.0003290500000000, -0.0017060500000000, 0.0021852700000000 ] - [ -0.0016100500000000, 0.0000000000000000, -0.0011327100000000 ] - [ -0.0011178900000000, -0.0003909800000000, -0.0003280500000000 ] - [ -0.0011178900000000, 0.0003909800000000, -0.0003280500000000 ] - [ 0.0007552600000000, 0.0000000000000000, 0.0020258600000000 ] - [ -0.0004302400000000, 0.0001349600000000, 0.0010128900000000 ] - [ -0.0004302400000000, -0.0001349600000000, 0.0010128900000000 ] - [ -0.0007752700000000, 0.0032107300000000, 0.0004815900000000 ] - [ 0.0001902600000000, 0.0000000000000000, 0.0000008700000000 ] - [ -0.0007752700000000, -0.0032107300000000, 0.0004815900000000 ] - [ 0.0056637500000000, -0.0103231600000000, -0.0016973900000000 ] - [ 0.0022896800000000, 0.0000000000000000, -0.0007998000000000 ] - [ 0.0056637500000000, 0.0103231600000000, -0.0016973900000000 ] - [ 0.0041631400000000, 0.0005678500000000, 0.0025978800000000 ] - [ 0.0016419700000000, 0.0000000000000000, 0.0009594800000000 ] - [ 0.0041631400000000, -0.0005678500000000, 0.0025978800000000 ] - [ -0.0005520500000000, -0.0003378700000000, -0.0010399100000000 ] - [ 0.0004936300000000, 0.0000000000000000, -0.0002382100000000 ] - [ -0.0005520500000000, 0.0003378700000000, -0.0010399100000000 ] - [ 0.0018796400000000, 0.0000000000000000, -0.0369219800000000 ] - [ -0.0004058900000000, -0.0000556400000000, -0.0025761500000000 ] - [ -0.0004058900000000, 0.0000556400000000, -0.0025761500000000 ] - [ -0.0024477800000000, 0.0000000000000000, 0.0045072900000000 ] - [ -0.0009451400000000, 0.0000965300000000, 0.0010601800000000 ] - [ -0.0009451400000000, -0.0000965300000000, 0.0010601800000000 ] - [ -0.0049382100000000, 0.0000000000000000, -0.0015030600000000 ] - [ -0.0009820700000000, 0.0006621800000000, -0.0017977700000000 ] - [ -0.0009820700000000, -0.0006621800000000, -0.0017977700000000 ] - [ 0.0019084100000000, 0.0000000000000000, 0.0096067500000000 ] - [ -0.0003470900000000, -0.0006614500000000, 0.0019422400000000 ] - [ -0.0003470900000000, 0.0006614500000000, 0.0019422400000000 ] - [ 0.0003788100000000, 0.0001476500000000, -0.0024930700000000 ] - [ 0.0004771000000000, 0.0000000000000000, -0.0010557100000000 ] - [ 0.0003788100000000, -0.0001476500000000, -0.0024930700000000 ] - [ 0.0014326700000000, -0.0003529200000000, 0.0044699000000000 ] - [ 0.0007809400000000, 0.0000000000000000, 0.0024488300000000 ] - [ 0.0014326700000000, 0.0003529200000000, 0.0044699000000000 ] - [ -0.0023151800000000, 0.0000000000000000, 0.0017007800000000 ] - [ -0.0009932400000000, 0.0003910200000000, 0.0007711900000000 ] - [ -0.0009932400000000, -0.0003910200000000, 0.0007711900000000 ] - [ 0.0049669300000000, 0.0000000000000000, -0.0057463300000000 ] - [ 0.0007357300000000, -0.0011126000000000, -0.0005047900000000 ] - [ 0.0007357300000000, 0.0011126000000000, -0.0005047900000000 ] - [ 0.0003895300000000, -0.0001679400000000, -0.0028053100000000 ] - [ 0.0008145700000000, 0.0000000000000000, -0.0014799600000000 ] - [ 0.0003895300000000, 0.0001679400000000, -0.0028053100000000 ] - [ 0.0011549900000000, -0.0003695500000000, 0.0020160000000000 ] - [ 0.0007140400000000, 0.0000000000000000, 0.0008592400000000 ] - [ 0.0011549900000000, 0.0003695500000000, 0.0020160000000000 ] - [ -0.0050105000000000, 0.0000000000000000, -0.0555667600000000 ] - [ 0.0009775500000000, -0.0057146700000000, -0.0001570400000000 ] - [ 0.0009775500000000, 0.0057146700000000, -0.0001570400000000 ] - [ 0.0330383800000000, 0.0000000000000000, -0.0255109000000000 ] - [ 0.0006164000000000, 0.0040630100000000, -0.0009337400000000 ] - [ 0.0006164000000000, -0.0040630100000000, -0.0009337400000000 ] - [ 0.0078570200000000, 0.0161454600000000, 0.0115169500000000 ] - [ 0.0006341800000000, 0.0000000000000000, 0.0022318300000000 ] - [ 0.0078570200000000, -0.0161454600000000, 0.0115169500000000 ] - [ 0.0000628900000000, -0.0007835300000000, -0.0070260700000000 ] - [ -0.0001967900000000, 0.0000000000000000, -0.0016020400000000 ] - [ 0.0000628900000000, 0.0007835300000000, -0.0070260700000000 ] - [ -0.0001163000000000, -0.0008150100000000, -0.0002300700000000 ] - [ 0.0000289100000000, 0.0000000000000000, -0.0000793000000000 ] - [ -0.0001163000000000, 0.0008150100000000, -0.0002300700000000 ] - [ -0.0036898200000000, 0.0018122400000000, -0.0000021900000000 ] - [ -0.0011995800000000, 0.0000000000000000, -0.0005918800000000 ] - [ -0.0036898200000000, -0.0018122400000000, -0.0000021900000000 ] - [ 0.0052787300000000, 0.0000000000000000, 0.0078341300000000 ] - [ 0.0002254200000000, -0.0002774900000000, 0.0031276700000000 ] - [ 0.0002254200000000, 0.0002774900000000, 0.0031276700000000 ] - [ -0.0004424600000000, 0.0000000000000000, -0.0086221900000000 ] - [ -0.0000399000000000, 0.0001712600000000, -0.0025268200000000 ] - [ -0.0000399000000000, -0.0001712600000000, -0.0025268200000000 ] - [ -0.1074691400000000, 0.0000000000000000, 0.4522207300000000 ] - [ -0.0005536300000000, 0.0021740900000000, 0.0078265000000000 ] - [ -0.0005536300000000, -0.0021740900000000, 0.0078265000000000 ] - [ 0.0038904000000000, 0.0000000000000000, -0.0180241500000000 ] - [ 0.0018610500000000, -0.0003659500000000, -0.0054841700000000 ] - [ 0.0018610500000000, 0.0003659500000000, -0.0054841700000000 ] - [ -0.0126349000000000, -0.0110906600000000, -0.0039156300000000 ] - [ -0.0016730900000000, 0.0000000000000000, 0.0011262400000000 ] - [ -0.0126349000000000, 0.0110906600000000, -0.0039156300000000 ] - [ 0.0053123400000000, 0.0020702500000000, -0.0016304200000000 ] - [ 0.0002995700000000, 0.0000000000000000, 0.0000508600000000 ] - [ 0.0053123400000000, -0.0020702500000000, -0.0016304200000000 ] - [ 0.0024795600000000, 0.0001343800000000, 0.0035705700000000 ] - [ 0.0001873900000000, 0.0000000000000000, 0.0013165900000000 ] - [ 0.0024795600000000, -0.0001343800000000, 0.0035705700000000 ] - [ -0.0029232200000000, 0.0005128800000000, -0.0070237700000000 ] - [ -0.0008688700000000, 0.0000000000000000, -0.0037216100000000 ] - [ -0.0029232200000000, -0.0005128800000000, -0.0070237700000000 ] - [ 0.0141500300000000, 0.0000000000000000, -0.0063894700000000 ] - [ 0.0013545000000000, -0.0028830000000000, 0.0001755400000000 ] - [ 0.0013545000000000, 0.0028830000000000, 0.0001755400000000 ] - [ -0.0646458100000000, 0.0000000000000000, -0.0147958700000000 ] - [ -0.0012688600000000, 0.0074317400000000, 0.0007092300000000 ] - [ -0.0012688600000000, -0.0074317400000000, 0.0007092300000000 ]