# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/546316fe-44d4-4545-9076-b0adb99981c0/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 KLiCO3 / P2_1/c (14) / materials id 562137](https://mdr.nims.go.jp/datasets/3d0b0163-9a61-4320-a039-a081bb2c0559) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.564992800000000, 0.000000000000000, 0.065853560000000 ] # a - [ 0.000000000000000, 7.098705090000000, 0.000000000000000 ] # b - [ -3.704827940000000, 0.000000000000000, 6.583168030000000 ] # c points: - symbol: K # 1 coordinates: [ 0.830883150000000, 0.352199470000000, 0.658454470000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.169116850000000, 0.852199470000000, 0.841545530000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.169116850000000, 0.647800530000000, 0.341545530000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.830883150000000, 0.147800530000000, 0.158454470000000 ] mass: 39.098300 - symbol: Li # 5 coordinates: [ 0.596927670000000, 0.567153730000000, 0.201981220000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.403072330000000, 0.432846270000000, 0.798018780000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.403072330000000, 0.067153730000000, 0.298018780000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.596927670000000, 0.932846270000000, 0.701981220000000 ] mass: 6.941000 - symbol: C # 9 coordinates: [ 0.703006610000000, 0.669920290000000, 0.916945150000000 ] mass: 12.010700 - symbol: C # 10 coordinates: [ 0.296993390000000, 0.330079710000000, 0.083054850000000 ] mass: 12.010700 - symbol: C # 11 coordinates: [ 0.296993390000000, 0.169920290000000, 0.583054850000000 ] mass: 12.010700 - symbol: C # 12 coordinates: [ 0.703006610000000, 0.830079710000000, 0.416945150000000 ] mass: 12.010700 - symbol: O # 13 coordinates: [ 0.515631410000000, 0.669925340000000, 0.739323740000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.484368590000000, 0.330074660000000, 0.260676260000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.741596600000000, 0.524602480000000, 0.033031630000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.515631410000000, 0.830074660000000, 0.239323740000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.484368590000000, 0.169925340000000, 0.760676260000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.839254210000000, 0.686660760000000, 0.469748040000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.839254210000000, 0.813339240000000, 0.969748040000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.741596600000000, 0.975397520000000, 0.533031630000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.258403400000000, 0.475397520000000, 0.966968370000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.160745790000000, 0.186660760000000, 0.030251960000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.258403400000000, 0.024602480000000, 0.466968370000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.160745790000000, 0.313339240000000, 0.530251960000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.151468026766596, 0.000000000000000, 0.085242086336592 ] # a* - [ 0.000000000000000, 0.140870762670322, 0.000000000000000 ] # b* - [ -0.001515183684102, 0.000000000000000, 0.151049844181618 ] # c*unit_cell: lattice: - [ 6.564992800000000, 0.000000000000000, 0.065853560000000 ] # a - [ 0.000000000000000, 7.098705090000000, 0.000000000000000 ] # b - [ -3.704827940000000, 0.000000000000000, 6.583168030000000 ] # c points: - symbol: K # 1 coordinates: [ 0.830883150000000, 0.352199470000000, 0.658454470000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.169116850000000, 0.852199470000000, 0.841545530000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.169116850000000, 0.647800530000000, 0.341545530000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.830883150000000, 0.147800530000000, 0.158454470000000 ] mass: 39.098300 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.596927670000000, 0.567153730000000, 0.201981220000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.403072330000000, 0.432846270000000, 0.798018780000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.403072330000000, 0.067153730000000, 0.298018780000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.596927670000000, 0.932846270000000, 0.701981220000000 ] mass: 6.941000 reduced_to: 8 - symbol: C # 9 coordinates: [ 0.703006610000000, 0.669920290000000, 0.916945150000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 10 coordinates: [ 0.296993390000000, 0.330079710000000, 0.083054850000000 ] mass: 12.010700 reduced_to: 10 - symbol: C # 11 coordinates: [ 0.296993390000000, 0.169920290000000, 0.583054850000000 ] mass: 12.010700 reduced_to: 11 - symbol: C # 12 coordinates: [ 0.703006610000000, 0.830079710000000, 0.416945150000000 ] mass: 12.010700 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.515631410000000, 0.669925340000000, 0.739323740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.484368590000000, 0.330074660000000, 0.260676260000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.741596600000000, 0.524602480000000, 0.033031630000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.515631410000000, 0.830074660000000, 0.239323740000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.484368590000000, 0.169925340000000, 0.760676260000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.839254210000000, 0.686660760000000, 0.469748040000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.839254210000000, 0.813339240000000, 0.969748040000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.741596600000000, 0.975397520000000, 0.533031630000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.258403400000000, 0.475397520000000, 0.966968370000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.160745790000000, 0.186660760000000, 0.030251960000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.258403400000000, 0.024602480000000, 0.466968370000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.160745790000000, 0.313339240000000, 0.530251960000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 13.129985599999999, 0.000000000000000, 0.131707120000000 ] # a - [ 0.000000000000000, 14.197410180000000, 0.000000000000000 ] # b - [ -3.704827940000000, 0.000000000000000, 6.583168030000000 ] # c points: - symbol: K # 1 coordinates: [ 0.415441575000000, 0.176099735000000, 0.658454470000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.915441575000000, 0.176099735000000, 0.658454470000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.415441575000000, 0.676099735000000, 0.658454470000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.915441575000000, 0.676099735000000, 0.658454470000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.084558425000000, 0.426099735000000, 0.841545530000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.584558425000000, 0.426099735000000, 0.841545530000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.084558425000000, 0.926099735000000, 0.841545530000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 8 coordinates: [ 0.584558425000000, 0.926099735000000, 0.841545530000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 9 coordinates: [ 0.084558425000000, 0.323900265000000, 0.341545530000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.584558425000000, 0.323900265000000, 0.341545530000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.084558425000000, 0.823900265000000, 0.341545530000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 12 coordinates: [ 0.584558425000000, 0.823900265000000, 0.341545530000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 13 coordinates: [ 0.415441575000000, 0.073900265000000, 0.158454470000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.915441575000000, 0.073900265000000, 0.158454470000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.415441575000000, 0.573900265000000, 0.158454470000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 16 coordinates: [ 0.915441575000000, 0.573900265000000, 0.158454470000000 ] mass: 39.098300 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.298463835000000, 0.283576865000000, 0.201981220000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.798463835000000, 0.283576865000000, 0.201981220000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.298463835000000, 0.783576865000000, 0.201981220000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.798463835000000, 0.783576865000000, 0.201981220000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.201536165000000, 0.216423135000000, 0.798018780000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.701536165000000, 0.216423135000000, 0.798018780000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.201536165000000, 0.716423135000000, 0.798018780000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 24 coordinates: [ 0.701536165000000, 0.716423135000000, 0.798018780000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 25 coordinates: [ 0.201536165000000, 0.033576865000000, 0.298018780000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.701536165000000, 0.033576865000000, 0.298018780000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.201536165000000, 0.533576865000000, 0.298018780000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.701536165000000, 0.533576865000000, 0.298018780000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.298463835000000, 0.466423135000000, 0.701981220000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.798463835000000, 0.466423135000000, 0.701981220000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.298463835000000, 0.966423135000000, 0.701981220000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 32 coordinates: [ 0.798463835000000, 0.966423135000000, 0.701981220000000 ] mass: 6.941000 reduced_to: 29 - symbol: C # 33 coordinates: [ 0.351503305000000, 0.334960145000000, 0.916945150000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 34 coordinates: [ 0.851503305000000, 0.334960145000000, 0.916945150000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 35 coordinates: [ 0.351503305000000, 0.834960145000000, 0.916945150000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 36 coordinates: [ 0.851503305000000, 0.834960145000000, 0.916945150000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 37 coordinates: [ 0.148496695000000, 0.165039855000000, 0.083054850000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 38 coordinates: [ 0.648496695000000, 0.165039855000000, 0.083054850000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 39 coordinates: [ 0.148496695000000, 0.665039855000000, 0.083054850000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 40 coordinates: [ 0.648496695000000, 0.665039855000000, 0.083054850000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 41 coordinates: [ 0.148496695000000, 0.084960145000000, 0.583054850000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 42 coordinates: [ 0.648496695000000, 0.084960145000000, 0.583054850000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 43 coordinates: [ 0.148496695000000, 0.584960145000000, 0.583054850000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 44 coordinates: [ 0.648496695000000, 0.584960145000000, 0.583054850000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 45 coordinates: [ 0.351503305000000, 0.415039855000000, 0.416945150000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 46 coordinates: [ 0.851503305000000, 0.415039855000000, 0.416945150000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 47 coordinates: [ 0.351503305000000, 0.915039855000000, 0.416945150000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 48 coordinates: [ 0.851503305000000, 0.915039855000000, 0.416945150000000 ] mass: 12.010700 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.257815705000000, 0.334962670000000, 0.739323740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.757815705000000, 0.334962670000000, 0.739323740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.257815705000000, 0.834962670000000, 0.739323740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.757815705000000, 0.834962670000000, 0.739323740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.242184295000000, 0.165037330000000, 0.260676260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.742184295000000, 0.165037330000000, 0.260676260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.242184295000000, 0.665037330000000, 0.260676260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.742184295000000, 0.665037330000000, 0.260676260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.370798300000000, 0.262301240000000, 0.033031630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.870798300000000, 0.262301240000000, 0.033031630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.370798300000000, 0.762301240000000, 0.033031630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.870798300000000, 0.762301240000000, 0.033031630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.257815705000000, 0.415037330000000, 0.239323740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.757815705000000, 0.415037330000000, 0.239323740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.257815705000000, 0.915037330000000, 0.239323740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.757815705000000, 0.915037330000000, 0.239323740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.242184295000000, 0.084962670000000, 0.760676260000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.742184295000000, 0.084962670000000, 0.760676260000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.242184295000000, 0.584962670000000, 0.760676260000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.742184295000000, 0.584962670000000, 0.760676260000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.419627105000000, 0.343330380000000, 0.469748040000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.919627105000000, 0.343330380000000, 0.469748040000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.419627105000000, 0.843330380000000, 0.469748040000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.919627105000000, 0.843330380000000, 0.469748040000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.419627105000000, 0.406669620000000, 0.969748040000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.919627105000000, 0.406669620000000, 0.969748040000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.419627105000000, 0.906669620000000, 0.969748040000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.919627105000000, 0.906669620000000, 0.969748040000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.370798300000000, 0.487698760000000, 0.533031630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.870798300000000, 0.487698760000000, 0.533031630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.370798300000000, 0.987698760000000, 0.533031630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.870798300000000, 0.987698760000000, 0.533031630000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.129201700000000, 0.237698760000000, 0.966968370000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.629201700000000, 0.237698760000000, 0.966968370000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.129201700000000, 0.737698760000000, 0.966968370000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.629201700000000, 0.737698760000000, 0.966968370000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.080372895000000, 0.093330380000000, 0.030251960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.580372895000000, 0.093330380000000, 0.030251960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.080372895000000, 0.593330380000000, 0.030251960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.580372895000000, 0.593330380000000, 0.030251960000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.129201700000000, 0.012301240000000, 0.466968370000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.629201700000000, 0.012301240000000, 0.466968370000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.129201700000000, 0.512301240000000, 0.466968370000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.629201700000000, 0.512301240000000, 0.466968370000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.080372895000000, 0.156669620000000, 0.530251960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.580372895000000, 0.156669620000000, 0.530251960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.080372895000000, 0.656669620000000, 0.530251960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.580372895000000, 0.656669620000000, 0.530251960000000 ] mass: 15.999400 reduced_to: 93born_effective_charge:- # 1 (K) - [ 1.217173390000000, -0.013199070000000, 0.072308600000000 ] - [ -0.019516370000000, 1.216907450000000, 0.025516670000000 ] - [ 0.091101940000000, 0.065082410000000, 1.280866620000000 ]- # 2 (K) - [ 1.217173390000000, 0.013199070000000, 0.072308600000000 ] - [ 0.019516370000000, 1.216907450000000, -0.025516670000000 ] - [ 0.091101940000000, -0.065082410000000, 1.280866620000000 ]- # 3 (K) - [ 1.217173390000000, -0.013199070000000, 0.072308600000000 ] - [ -0.019516370000000, 1.216907450000000, 0.025516670000000 ] - [ 0.091101940000000, 0.065082410000000, 1.280866620000000 ]- # 4 (K) - [ 1.217173390000000, 0.013199070000000, 0.072308600000000 ] - [ 0.019516370000000, 1.216907450000000, -0.025516670000000 ] - [ 0.091101940000000, -0.065082410000000, 1.280866620000000 ]- # 5 (Li) - [ 0.930227280000000, 0.099669680000000, -0.052315660000000 ] - [ 0.191415010000000, 0.998024190000000, 0.190253460000000 ] - [ -0.091633120000000, 0.246596640000000, 0.932187090000000 ]- # 6 (Li) - [ 0.930227280000000, 0.099669680000000, -0.052315660000000 ] - [ 0.191415010000000, 0.998024190000000, 0.190253460000000 ] - [ -0.091633120000000, 0.246596640000000, 0.932187090000000 ]- # 7 (Li) - [ 0.930227280000000, -0.099669680000000, -0.052315660000000 ] - [ -0.191415010000000, 0.998024190000000, -0.190253460000000 ] - [ -0.091633120000000, -0.246596640000000, 0.932187090000000 ]- # 8 (Li) - [ 0.930227280000000, -0.099669680000000, -0.052315660000000 ] - [ -0.191415010000000, 0.998024190000000, -0.190253460000000 ] - [ -0.091633120000000, -0.246596640000000, 0.932187090000000 ]- # 9 (C) - [ 1.045462110000000, 0.989321700000000, 0.757657840000000 ] - [ 0.951500170000000, 2.314820410000000, -0.447814810000000 ] - [ 0.760319670000000, -0.442385740000000, 2.327345510000000 ]- # 10 (C) - [ 1.045462110000000, 0.989321700000000, 0.757657840000000 ] - [ 0.951500170000000, 2.314820410000000, -0.447814810000000 ] - [ 0.760319670000000, -0.442385740000000, 2.327345510000000 ]- # 11 (C) - [ 1.045462110000000, -0.989321700000000, 0.757657840000000 ] - [ -0.951500170000000, 2.314820410000000, 0.447814810000000 ] - [ 0.760319670000000, 0.442385740000000, 2.327345510000000 ]- # 12 (C) - [ 1.045462110000000, -0.989321700000000, 0.757657840000000 ] - [ -0.951500170000000, 2.314820410000000, 0.447814810000000 ] - [ 0.760319670000000, 0.442385740000000, 2.327345510000000 ]- # 13 (O) - [ -1.052516040000000, -0.122510250000000, -0.543796710000000 ] - [ -0.166841250000000, -1.073076790000000, 0.061063350000000 ] - [ -0.507238850000000, 0.069468450000000, -1.942609230000000 ]- # 14 (O) - [ -1.052516040000000, -0.122510250000000, -0.543796710000000 ] - [ -0.166841250000000, -1.073076790000000, 0.061063350000000 ] - [ -0.507238850000000, 0.069468450000000, -1.942609230000000 ]- # 15 (O) - [ -0.948568910000000, -0.265912840000000, 0.028753950000000 ] - [ -0.309997800000000, -1.739177100000000, 0.576945440000000 ] - [ 0.032729630000000, 0.553624160000000, -1.458415880000000 ]- # 16 (O) - [ -1.052516040000000, 0.122510250000000, -0.543796710000000 ] - [ 0.166841250000000, -1.073076790000000, -0.061063350000000 ] - [ -0.507238850000000, -0.069468450000000, -1.942609230000000 ]- # 17 (O) - [ -1.052516040000000, 0.122510250000000, -0.543796710000000 ] - [ 0.166841250000000, -1.073076790000000, -0.061063350000000 ] - [ -0.507238850000000, -0.069468450000000, -1.942609230000000 ]- # 18 (O) - [ -1.191777820000000, 0.626673750000000, -0.262608010000000 ] - [ 0.573071140000000, -1.717498160000000, 0.190965640000000 ] - [ -0.285279260000000, 0.167144430000000, -1.139374110000000 ]- # 19 (O) - [ -1.191777820000000, -0.626673750000000, -0.262608010000000 ] - [ -0.573071140000000, -1.717498160000000, -0.190965640000000 ] - [ -0.285279260000000, -0.167144430000000, -1.139374110000000 ]- # 20 (O) - [ -0.948568910000000, 0.265912840000000, 0.028753950000000 ] - [ 0.309997800000000, -1.739177100000000, -0.576945440000000 ] - [ 0.032729630000000, -0.553624160000000, -1.458415880000000 ]- # 21 (O) - [ -0.948568910000000, -0.265912840000000, 0.028753950000000 ] - [ -0.309997800000000, -1.739177100000000, 0.576945440000000 ] - [ 0.032729630000000, 0.553624160000000, -1.458415880000000 ]- # 22 (O) - [ -1.191777820000000, -0.626673750000000, -0.262608010000000 ] - [ -0.573071140000000, -1.717498160000000, -0.190965640000000 ] - [ -0.285279260000000, -0.167144430000000, -1.139374110000000 ]- # 23 (O) - [ -0.948568910000000, 0.265912840000000, 0.028753950000000 ] - [ 0.309997800000000, -1.739177100000000, -0.576945440000000 ] - [ 0.032729630000000, -0.553624160000000, -1.458415880000000 ]- # 24 (O) - [ -1.191777820000000, 0.626673750000000, -0.262608010000000 ] - [ 0.573071140000000, -1.717498160000000, 0.190965640000000 ] - [ -0.285279260000000, 0.167144430000000, -1.139374110000000 ]dielectric_constant: - [ 2.220629860000000, 0.000000000000000, 0.129467560000000 ] - [ 0.000000000000000, 2.416523150000000, 0.000000000000000 ] - [ 0.129468780000000, 0.000000000000000, 2.435840540000000 ]displacements:- atom: 1 displacement: [ 0.0099994969313681, 0.0000000000000000, 0.0001003051322676 ] forces: - [ -0.0229775300000000, -0.0034193200000000, -0.0060777300000000 ] - [ 0.0018762100000000, -0.0002493200000000, 0.0007086800000000 ] - [ 0.0000729800000000, -0.0002874400000000, 0.0000088300000000 ] - [ 0.0004879000000000, -0.0003449400000000, 0.0001705100000000 ] - [ 0.0002935400000000, -0.0007654000000000, -0.0000310900000000 ] - [ -0.0007449900000000, 0.0011936800000000, 0.0002641100000000 ] - [ 0.0002928500000000, 0.0002793600000000, -0.0000263900000000 ] - [ -0.0007444100000000, -0.0019150100000000, 0.0001439900000000 ] - [ 0.0008431000000000, -0.0008399900000000, 0.0011562900000000 ] - [ -0.0001274400000000, 0.0016651800000000, -0.0012533200000000 ] - [ -0.0000637200000000, 0.0007489600000000, 0.0001607700000000 ] - [ -0.0005181600000000, -0.0001852000000000, -0.0003312900000000 ] - [ -0.0007394100000000, 0.0004044200000000, -0.0033480200000000 ] - [ 0.0016145400000000, 0.0002546500000000, 0.0012777300000000 ] - [ 0.0001573800000000, 0.0001678200000000, -0.0001905300000000 ] - [ 0.0004801800000000, 0.0003581900000000, 0.0002504300000000 ] - [ -0.0009515300000000, -0.0007389700000000, -0.0012837000000000 ] - [ 0.0009470700000000, 0.0002800300000000, 0.0004858400000000 ] - [ -0.0000185700000000, -0.0001999700000000, -0.0002934700000000 ] - [ 0.0001388000000000, -0.0004309800000000, -0.0001959100000000 ] - [ 0.0031577500000000, -0.0006994200000000, -0.0010721200000000 ] - [ 0.0041358400000000, 0.0016248200000000, 0.0022038300000000 ] - [ 0.0000051100000000, 0.0003376200000000, 0.0002172000000000 ] - [ -0.0000605800000000, 0.0002218000000000, 0.0002631300000000 ] - [ -0.0003260600000000, 0.0013432900000000, 0.0016701600000000 ] - [ 0.0007306700000000, -0.0009788300000000, 0.0003112500000000 ] - [ -0.0001460000000000, -0.0003571100000000, 0.0002703600000000 ] - [ -0.0000653300000000, -0.0002075600000000, 0.0002335700000000 ] - [ -0.0003236100000000, -0.0005952600000000, 0.0000465500000000 ] - [ 0.0002197200000000, 0.0005520800000000, -0.0002631400000000 ] - [ -0.0002950800000000, 0.0029747100000000, -0.0005621600000000 ] - [ 0.0009329400000000, -0.0004902500000000, 0.0001237500000000 ] - [ -0.0025381500000000, -0.0035763000000000, -0.0034872700000000 ] - [ 0.0008705700000000, 0.0012081600000000, 0.0024005700000000 ] - [ -0.0006327100000000, 0.0004881100000000, 0.0001692700000000 ] - [ 0.0000511400000000, 0.0003943500000000, 0.0016144500000000 ] - [ 0.0023389600000000, 0.0000773100000000, 0.0016585100000000 ] - [ 0.0013227300000000, -0.0030452500000000, 0.0051129700000000 ] - [ 0.0004112400000000, -0.0002701300000000, -0.0008653300000000 ] - [ 0.0002639300000000, -0.0005549300000000, -0.0008379500000000 ] - [ 0.0043569500000000, 0.0022919100000000, 0.0042511400000000 ] - [ 0.0065680700000000, -0.0068600200000000, 0.0004416100000000 ] - [ 0.0005731600000000, 0.0000083700000000, -0.0008184400000000 ] - [ 0.0002148900000000, 0.0006555200000000, -0.0008473600000000 ] - [ -0.0021007800000000, 0.0011467800000000, -0.0004304400000000 ] - [ 0.0002862200000000, -0.0006673100000000, 0.0017681700000000 ] - [ -0.0008424900000000, 0.0003940700000000, 0.0003688000000000 ] - [ 0.0004626500000000, -0.0010534000000000, 0.0016101400000000 ] - [ -0.0001920300000000, 0.0032393100000000, 0.0031723100000000 ] - [ -0.0012353100000000, 0.0000485500000000, -0.0005085000000000 ] - [ 0.0002482700000000, 0.0003762800000000, 0.0010812500000000 ] - [ -0.0004716300000000, 0.0010670700000000, 0.0000391500000000 ] - [ 0.0013296700000000, -0.0010605400000000, -0.0007338300000000 ] - [ -0.0015565700000000, -0.0000378000000000, -0.0027304000000000 ] - [ 0.0000924200000000, -0.0008117900000000, -0.0005881100000000 ] - [ 0.0000405200000000, -0.0006848400000000, -0.0005774300000000 ] - [ 0.0003007800000000, 0.0008230900000000, 0.0020335700000000 ] - [ -0.0007972900000000, -0.0004697400000000, -0.0010926400000000 ] - [ 0.0002746700000000, -0.0004514500000000, -0.0000387000000000 ] - [ 0.0000910100000000, -0.0000915700000000, -0.0007345100000000 ] - [ 0.0009835800000000, -0.0009048100000000, 0.0020584500000000 ] - [ -0.0005409200000000, -0.0010239200000000, -0.0001887000000000 ] - [ 0.0002917100000000, -0.0012424400000000, 0.0010645400000000 ] - [ -0.0005770900000000, -0.0003252400000000, -0.0000371500000000 ] - [ -0.0015422500000000, -0.0003673200000000, -0.0020982500000000 ] - [ -0.0026371500000000, 0.0022031500000000, -0.0027573300000000 ] - [ 0.0000441000000000, 0.0009975800000000, -0.0006721200000000 ] - [ 0.0000406800000000, 0.0006335800000000, -0.0005540200000000 ] - [ 0.0018368700000000, -0.0000521200000000, -0.0007468600000000 ] - [ -0.0012285900000000, -0.0002524000000000, -0.0012356000000000 ] - [ 0.0002749300000000, -0.0012334400000000, -0.0005164800000000 ] - [ -0.0011149200000000, 0.0000036400000000, -0.0011733200000000 ] - [ 0.0017117000000000, 0.0024025300000000, 0.0004009600000000 ] - [ -0.0013859600000000, -0.0002780100000000, -0.0015203100000000 ] - [ 0.0001252200000000, 0.0003375500000000, -0.0003492700000000 ] - [ -0.0009824600000000, 0.0004624000000000, -0.0011942000000000 ] - [ 0.0009520700000000, -0.0004672300000000, -0.0004428700000000 ] - [ -0.0000278100000000, 0.0001621400000000, -0.0007047000000000 ] - [ 0.0021154100000000, -0.0000693000000000, -0.0005776100000000 ] - [ -0.0007375300000000, 0.0004649500000000, -0.0006138400000000 ] - [ -0.0011699200000000, 0.0011001200000000, -0.0003315500000000 ] - [ 0.0034133900000000, 0.0019901800000000, 0.0009834300000000 ] - [ -0.0002925100000000, 0.0001360100000000, 0.0004213900000000 ] - [ -0.0001330400000000, 0.0004542000000000, 0.0003534000000000 ] - [ -0.0008014400000000, -0.0012943100000000, -0.0001005200000000 ] - [ 0.0024596000000000, -0.0000632600000000, 0.0010491100000000 ] - [ 0.0003239300000000, -0.0005167100000000, 0.0007920300000000 ] - [ 0.0006879800000000, -0.0004669100000000, 0.0008056400000000 ] - [ -0.0006820900000000, -0.0021509100000000, -0.0016001400000000 ] - [ -0.0013751000000000, 0.0033590600000000, 0.0016159000000000 ] - [ -0.0002572700000000, 0.0001634300000000, 0.0002866300000000 ] - [ -0.0001846700000000, -0.0005382400000000, 0.0004377100000000 ] - [ -0.0017642200000000, 0.0006682100000000, -0.0005051400000000 ] - [ 0.0033249800000000, 0.0023413900000000, -0.0004207100000000 ] - [ 0.0001773200000000, 0.0006896800000000, 0.0007307100000000 ] - [ 0.0006563700000000, 0.0003913300000000, 0.0008716900000000 ]- atom: 1 displacement: [ -0.0099994969313681, 0.0000000000000000, -0.0001003051322676 ] forces: - [ 0.0232010700000000, 0.0028067900000000, 0.0061790900000000 ] - [ -0.0012977600000000, -0.0003915500000000, -0.0005440300000000 ] - [ 0.0005057500000000, -0.0003540000000000, 0.0001531800000000 ] - [ 0.0000907600000000, -0.0002966000000000, -0.0000059000000000 ] - [ -0.0008705400000000, 0.0001245600000000, -0.0001295200000000 ] - [ 0.0001589700000000, -0.0018348100000000, -0.0004300400000000 ] - [ -0.0008713300000000, -0.0009227400000000, -0.0001340000000000 ] - [ 0.0001571700000000, 0.0012735200000000, -0.0003093100000000 ] - [ -0.0014210500000000, 0.0014892400000000, -0.0013264700000000 ] - [ -0.0004487900000000, -0.0010166100000000, 0.0010802000000000 ] - [ -0.0005124000000000, -0.0001097500000000, -0.0003251700000000 ] - [ -0.0000627400000000, 0.0008246400000000, 0.0001669300000000 ] - [ 0.0013164900000000, 0.0002348700000000, 0.0035111700000000 ] - [ -0.0010361100000000, 0.0003855300000000, -0.0011150600000000 ] - [ 0.0004191800000000, 0.0004729900000000, 0.0003550000000000 ] - [ 0.0000990700000000, 0.0002840800000000, -0.0000866600000000 ] - [ 0.0010367400000000, 0.0001345300000000, 0.0008094400000000 ] - [ -0.0008553300000000, -0.0008850700000000, -0.0009820400000000 ] - [ 0.0001076900000000, -0.0004002200000000, -0.0001973400000000 ] - [ -0.0000470500000000, -0.0001747200000000, -0.0002972800000000 ] - [ -0.0032910700000000, 0.0013151600000000, 0.0015863300000000 ] - [ -0.0041787000000000, -0.0010074100000000, -0.0016806000000000 ] - [ -0.0000961200000000, 0.0002662100000000, 0.0002751100000000 ] - [ -0.0000296400000000, 0.0003786400000000, 0.0002308000000000 ] - [ 0.0002530900000000, -0.0019421000000000, -0.0011788900000000 ] - [ -0.0008243300000000, 0.0003841300000000, 0.0001785200000000 ] - [ 0.0000503100000000, -0.0002439600000000, 0.0002253200000000 ] - [ -0.0000269600000000, -0.0003882800000000, 0.0002599500000000 ] - [ 0.0004279200000000, 0.0011973500000000, -0.0005422900000000 ] - [ -0.0001295700000000, 0.0000447600000000, -0.0002333600000000 ] - [ 0.0003967500000000, -0.0023915900000000, 0.0000658000000000 ] - [ -0.0008356300000000, 0.0010845500000000, -0.0006194400000000 ] - [ 0.0018738800000000, 0.0043743000000000, 0.0052336100000000 ] - [ -0.0015392500000000, -0.0004261100000000, -0.0006671500000000 ] - [ -0.0000397100000000, 0.0002916300000000, 0.0015600600000000 ] - [ -0.0007260900000000, 0.0003801600000000, 0.0001129200000000 ] - [ -0.0016494900000000, -0.0008550800000000, -0.0033593200000000 ] - [ -0.0006730700000000, 0.0022488600000000, -0.0068358100000000 ] - [ 0.0002643500000000, -0.0005082400000000, -0.0008577500000000 ] - [ 0.0004082400000000, -0.0002246000000000, -0.0008909900000000 ] - [ -0.0037220000000000, -0.0015570700000000, -0.0059733700000000 ] - [ -0.0058318700000000, 0.0076234800000000, -0.0022006700000000 ] - [ 0.0001007200000000, 0.0007709100000000, -0.0009068500000000 ] - [ 0.0004559400000000, 0.0001293000000000, -0.0008791400000000 ] - [ 0.0014495600000000, -0.0019526800000000, 0.0021647900000000 ] - [ -0.0009598700000000, -0.0001116400000000, -0.0000418500000000 ] - [ 0.0001625000000000, -0.0011513700000000, 0.0013774200000000 ] - [ -0.0011351600000000, 0.0002692600000000, 0.0001133900000000 ] - [ 0.0000334600000000, -0.0017441600000000, -0.0020111600000000 ] - [ 0.0010879000000000, 0.0014411300000000, 0.0016615600000000 ] - [ -0.0003898100000000, 0.0011253200000000, 0.0000777500000000 ] - [ 0.0003283200000000, 0.0004256700000000, 0.0011178100000000 ] - [ -0.0011984200000000, -0.0004335600000000, -0.0004660400000000 ] - [ 0.0017021000000000, -0.0014637000000000, 0.0015875100000000 ] - [ 0.0000440100000000, -0.0006842700000000, -0.0005782500000000 ] - [ 0.0001018700000000, -0.0008139300000000, -0.0005772900000000 ] - [ 0.0000999300000000, -0.0013282900000000, -0.0028370100000000 ] - [ 0.0012087700000000, -0.0000417500000000, 0.0002932800000000 ] - [ 0.0001336600000000, -0.0000545200000000, -0.0007551900000000 ] - [ 0.0003198300000000, -0.0004186500000000, -0.0000634700000000 ] - [ -0.0011328600000000, -0.0005869400000000, -0.0009036500000000 ] - [ 0.0003977600000000, -0.0004738800000000, 0.0013428300000000 ] - [ -0.0004331500000000, -0.0002684600000000, 0.0000816400000000 ] - [ 0.0004330300000000, -0.0011650300000000, 0.0011974800000000 ] - [ 0.0015752800000000, 0.0018184700000000, 0.0009519900000000 ] - [ 0.0027574700000000, -0.0006910400000000, 0.0016016500000000 ] - [ 0.0000970500000000, 0.0004995900000000, -0.0004886000000000 ] - [ 0.0000994400000000, 0.0008661000000000, -0.0006049500000000 ] - [ -0.0027717000000000, -0.0008948400000000, -0.0008930300000000 ] - [ 0.0003025700000000, -0.0007258400000000, -0.0003846700000000 ] - [ -0.0011977900000000, 0.0002436800000000, -0.0011137000000000 ] - [ 0.0001866600000000, -0.0009753900000000, -0.0004466700000000 ] - [ -0.0026463200000000, -0.0014315700000000, -0.0020231600000000 ] - [ 0.0004539800000000, 0.0012502900000000, -0.0001045000000000 ] - [ -0.0010561900000000, 0.0006396000000000, -0.0012714500000000 ] - [ 0.0000548000000000, 0.0005176600000000, -0.0004262500000000 ] - [ -0.0005483800000000, 0.0009871600000000, -0.0003516000000000 ] - [ 0.0004381100000000, 0.0003470100000000, -0.0000852300000000 ] - [ -0.0017056300000000, 0.0005737700000000, -0.0002187500000000 ] - [ 0.0011475000000000, 0.0000486100000000, -0.0001796100000000 ] - [ 0.0007596600000000, -0.0005846000000000, 0.0011122500000000 ] - [ -0.0037270200000000, -0.0014296900000000, -0.0000689900000000 ] - [ -0.0001173800000000, 0.0003717200000000, 0.0003778900000000 ] - [ -0.0002750300000000, 0.0000525900000000, 0.0004389700000000 ] - [ 0.0017174700000000, 0.0003095300000000, 0.0017104800000000 ] - [ -0.0015199400000000, -0.0009078600000000, 0.0005984300000000 ] - [ 0.0006058200000000, -0.0004625800000000, 0.0008341500000000 ] - [ 0.0002399800000000, -0.0005101500000000, 0.0008141700000000 ] - [ 0.0002712400000000, 0.0016543700000000, 0.0024019800000000 ] - [ 0.0009511200000000, -0.0038560800000000, -0.0008126400000000 ] - [ -0.0001519000000000, -0.0006710500000000, 0.0005048400000000 ] - [ -0.0002266700000000, 0.0000259300000000, 0.0003574100000000 ] - [ 0.0027083300000000, 0.0003212500000000, 0.0021271300000000 ] - [ -0.0020095900000000, -0.0014156200000000, 0.0019413200000000 ] - [ 0.0007499100000000, 0.0002872000000000, 0.0008888400000000 ] - [ 0.0002762200000000, 0.0005836000000000, 0.0007557600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028547700000000, -0.0221718100000000, 0.0009297700000000 ] - [ 0.0003601700000000, -0.0009239800000000, 0.0000089300000000 ] - [ 0.0003223100000000, 0.0011256900000000, 0.0000697300000000 ] - [ 0.0002641500000000, 0.0001713000000000, 0.0001070800000000 ] - [ -0.0008873600000000, -0.0001681300000000, -0.0004399900000000 ] - [ 0.0012984100000000, 0.0017720900000000, 0.0013750600000000 ] - [ 0.0001524300000000, -0.0001642300000000, 0.0001813300000000 ] - [ -0.0017806100000000, 0.0017591400000000, -0.0014780800000000 ] - [ -0.0014478200000000, -0.0001465800000000, -0.0008173300000000 ] - [ 0.0010522600000000, -0.0001104200000000, 0.0001724400000000 ] - [ 0.0001372400000000, 0.0010259900000000, 0.0000848500000000 ] - [ -0.0007908300000000, 0.0009481700000000, -0.0001956500000000 ] - [ 0.0002057800000000, -0.0009275400000000, 0.0001016100000000 ] - [ 0.0003518300000000, -0.0001034100000000, 0.0002394900000000 ] - [ 0.0004423000000000, 0.0015957200000000, 0.0000257200000000 ] - [ 0.0002525300000000, 0.0007383000000000, 0.0000194100000000 ] - [ -0.0006675100000000, -0.0013366900000000, -0.0027374900000000 ] - [ 0.0001431600000000, -0.0007363800000000, -0.0000256800000000 ] - [ 0.0002711900000000, 0.0008560400000000, 0.0002139700000000 ] - [ 0.0000785600000000, 0.0001150900000000, -0.0002464800000000 ] - [ -0.0011979100000000, -0.0018201700000000, -0.0000154100000000 ] - [ 0.0009850900000000, -0.0011831800000000, 0.0004122800000000 ] - [ 0.0001971100000000, 0.0011211800000000, 0.0004591500000000 ] - [ -0.0000514500000000, 0.0008841600000000, 0.0003051300000000 ] - [ 0.0015524600000000, -0.0004838700000000, 0.0026633700000000 ] - [ -0.0003574200000000, -0.0004998100000000, 0.0000564500000000 ] - [ -0.0006623900000000, 0.0007717800000000, -0.0001607100000000 ] - [ 0.0000958100000000, 0.0000938300000000, 0.0002836900000000 ] - [ -0.0007815600000000, 0.0016836800000000, -0.0002676000000000 ] - [ 0.0001606300000000, 0.0004599600000000, -0.0002036800000000 ] - [ 0.0028089600000000, 0.0031103100000000, -0.0006908300000000 ] - [ -0.0001486000000000, 0.0003679700000000, -0.0003440200000000 ] - [ -0.0019507800000000, 0.0008053400000000, 0.0047300800000000 ] - [ -0.0002991400000000, -0.0002782900000000, 0.0016581800000000 ] - [ 0.0006840100000000, 0.0026069500000000, 0.0008348000000000 ] - [ -0.0001996400000000, 0.0011380300000000, 0.0004100200000000 ] - [ -0.0003589900000000, -0.0021821800000000, -0.0001644800000000 ] - [ -0.0030205400000000, -0.0085443600000000, 0.0001417200000000 ] - [ 0.0009477400000000, 0.0012111300000000, -0.0012705000000000 ] - [ 0.0011270000000000, 0.0013823200000000, -0.0011406100000000 ] - [ 0.0036063500000000, -0.0021884400000000, 0.0014971400000000 ] - [ -0.0007045400000000, -0.0006814900000000, -0.0011276200000000 ] - [ -0.0005157700000000, 0.0021177500000000, -0.0007850000000000 ] - [ -0.0001076100000000, 0.0019160000000000, -0.0003700000000000 ] - [ -0.0043417700000000, 0.0070887400000000, -0.0019450100000000 ] - [ -0.0000800300000000, -0.0003977100000000, 0.0013183500000000 ] - [ -0.0016485900000000, 0.0072192100000000, 0.0058250900000000 ] - [ -0.0005859500000000, -0.0001373200000000, 0.0006044000000000 ] - [ 0.0016759400000000, 0.0002925800000000, -0.0010607800000000 ] - [ -0.0006925500000000, 0.0011246200000000, 0.0001513800000000 ] - [ -0.0006633600000000, -0.0001618000000000, 0.0005441600000000 ] - [ 0.0001681600000000, 0.0003108300000000, 0.0007611800000000 ] - [ 0.0001568700000000, 0.0014273700000000, -0.0003683000000000 ] - [ 0.0009533400000000, 0.0010891200000000, -0.0007500900000000 ] - [ 0.0000120400000000, -0.0017987400000000, -0.0004708600000000 ] - [ -0.0001132800000000, -0.0013450000000000, -0.0005765100000000 ] - [ 0.0007180400000000, 0.0016008200000000, -0.0014785700000000 ] - [ 0.0002147700000000, 0.0005327900000000, -0.0007115000000000 ] - [ 0.0000119100000000, -0.0019747300000000, -0.0000141800000000 ] - [ 0.0001056200000000, -0.0009284000000000, -0.0001568100000000 ] - [ 0.0021312200000000, -0.0021497600000000, 0.0031664200000000 ] - [ -0.0004242300000000, -0.0008047000000000, 0.0001321200000000 ] - [ -0.0010019200000000, -0.0024191800000000, -0.0028264600000000 ] - [ 0.0001830400000000, -0.0008924800000000, 0.0009220600000000 ] - [ -0.0017399600000000, 0.0023475000000000, -0.0015425700000000 ] - [ 0.0003366600000000, 0.0013493600000000, -0.0003835800000000 ] - [ 0.0003790900000000, -0.0001822500000000, -0.0004597000000000 ] - [ 0.0000254500000000, 0.0001996500000000, -0.0007577800000000 ] - [ 0.0015365300000000, 0.0009086100000000, -0.0014221200000000 ] - [ -0.0003903800000000, -0.0001277800000000, -0.0009420700000000 ] - [ 0.0010697600000000, -0.0042389500000000, -0.0011699900000000 ] - [ -0.0004449000000000, -0.0009169600000000, -0.0006927300000000 ] - [ 0.0001599200000000, 0.0000103100000000, -0.0017478300000000 ] - [ -0.0002893300000000, 0.0005902900000000, -0.0009129500000000 ] - [ -0.0013154000000000, -0.0012033600000000, -0.0005906200000000 ] - [ -0.0006771700000000, 0.0001524700000000, -0.0008141800000000 ] - [ 0.0012310400000000, -0.0031353600000000, -0.0010350700000000 ] - [ 0.0001752800000000, 0.0000273700000000, -0.0004930000000000 ] - [ 0.0005366300000000, 0.0005317700000000, -0.0015267200000000 ] - [ 0.0002683900000000, 0.0002807600000000, -0.0003848700000000 ] - [ 0.0003767300000000, 0.0020722300000000, -0.0003508700000000 ] - [ 0.0014494700000000, 0.0055535300000000, -0.0000314500000000 ] - [ -0.0005386500000000, -0.0009819600000000, 0.0007404700000000 ] - [ -0.0003341100000000, -0.0010682800000000, 0.0009013200000000 ] - [ 0.0010116800000000, 0.0009689900000000, 0.0008667200000000 ] - [ 0.0018241300000000, 0.0047018700000000, 0.0002275400000000 ] - [ 0.0001674000000000, -0.0016517600000000, 0.0007833000000000 ] - [ -0.0000466000000000, -0.0018398200000000, 0.0005522600000000 ] - [ -0.0016675800000000, 0.0003065800000000, 0.0001770600000000 ] - [ 0.0001485000000000, 0.0008170200000000, 0.0008515500000000 ] - [ 0.0004501600000000, -0.0013933300000000, 0.0001372100000000 ] - [ -0.0003947500000000, -0.0013933800000000, -0.0000742000000000 ] - [ -0.0005488500000000, 0.0031281100000000, -0.0002138200000000 ] - [ 0.0000447500000000, 0.0028179100000000, 0.0008385200000000 ] - [ 0.0009629500000000, -0.0007969700000000, 0.0010265200000000 ] - [ 0.0007416600000000, -0.0006373900000000, 0.0008773400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033881600000000, 0.0216082600000000, -0.0005842000000000 ] - [ 0.0002167600000000, 0.0002816000000000, 0.0001540800000000 ] - [ 0.0002562200000000, -0.0017675100000000, 0.0000942600000000 ] - [ 0.0003137500000000, -0.0008119500000000, 0.0000565700000000 ] - [ 0.0003072700000000, -0.0004765300000000, 0.0002754500000000 ] - [ -0.0018618800000000, -0.0023998700000000, -0.0015250600000000 ] - [ -0.0007329300000000, -0.0004721900000000, -0.0003476700000000 ] - [ 0.0012186700000000, -0.0024125900000000, 0.0013285300000000 ] - [ 0.0008664000000000, 0.0007812600000000, 0.0006507600000000 ] - [ -0.0016255200000000, 0.0007416000000000, -0.0003372700000000 ] - [ -0.0007188300000000, -0.0003834400000000, -0.0002504000000000 ] - [ 0.0002160400000000, -0.0003044800000000, 0.0000333500000000 ] - [ 0.0003763900000000, 0.0015852700000000, 0.0000623800000000 ] - [ 0.0002249100000000, 0.0007478800000000, -0.0000768700000000 ] - [ 0.0001361400000000, -0.0009541800000000, 0.0001380900000000 ] - [ 0.0003258600000000, -0.0000981900000000, 0.0001442100000000 ] - [ 0.0007567100000000, 0.0007216000000000, 0.0022362200000000 ] - [ -0.0000558200000000, 0.0001279600000000, -0.0004690300000000 ] - [ -0.0001808100000000, -0.0014612300000000, -0.0007104600000000 ] - [ 0.0000123800000000, -0.0007144400000000, -0.0002444300000000 ] - [ 0.0011179800000000, 0.0024144800000000, 0.0005056800000000 ] - [ -0.0010880300000000, 0.0017709800000000, 0.0000760400000000 ] - [ -0.0002900400000000, -0.0005196500000000, 0.0000333000000000 ] - [ -0.0000366300000000, -0.0002841600000000, 0.0001878900000000 ] - [ -0.0016587100000000, -0.0001021800000000, -0.0021869900000000 ] - [ 0.0002630100000000, -0.0000879900000000, 0.0004354600000000 ] - [ 0.0005680400000000, -0.0013691500000000, 0.0006553500000000 ] - [ -0.0001859900000000, -0.0006925100000000, 0.0002111800000000 ] - [ 0.0008694300000000, -0.0010818100000000, -0.0002255500000000 ] - [ -0.0000677300000000, 0.0001313500000000, -0.0002908400000000 ] - [ -0.0027522400000000, -0.0025400900000000, 0.0002011600000000 ] - [ 0.0002394900000000, 0.0002340000000000, -0.0001523200000000 ] - [ 0.0012339500000000, -0.0000567500000000, -0.0029684100000000 ] - [ -0.0003781300000000, 0.0010447500000000, 0.0000733000000000 ] - [ -0.0013607500000000, -0.0018327200000000, 0.0008887000000000 ] - [ -0.0004710000000000, -0.0003555400000000, 0.0013181900000000 ] - [ 0.0010454500000000, 0.0014035500000000, -0.0015369200000000 ] - [ 0.0036720100000000, 0.0077675700000000, -0.0019122100000000 ] - [ -0.0002766900000000, -0.0019906700000000, -0.0004598900000000 ] - [ -0.0004508300000000, -0.0021593600000000, -0.0005828700000000 ] - [ -0.0029358100000000, 0.0029890300000000, -0.0032015100000000 ] - [ 0.0013598900000000, 0.0015109000000000, -0.0006038000000000 ] - [ 0.0011871100000000, -0.0013383100000000, -0.0009450500000000 ] - [ 0.0007827800000000, -0.0011365300000000, -0.0013541500000000 ] - [ 0.0036855200000000, -0.0078330800000000, 0.0036344400000000 ] - [ -0.0005893000000000, -0.0003898600000000, 0.0004078500000000 ] - [ 0.0009681500000000, -0.0080653000000000, -0.0041248200000000 ] - [ -0.0000901900000000, -0.0006322600000000, 0.0011257000000000 ] - [ -0.0018170100000000, 0.0012307100000000, 0.0022180200000000 ] - [ 0.0005483600000000, 0.0003727200000000, 0.0010048600000000 ] - [ 0.0005269100000000, 0.0016604900000000, 0.0006135600000000 ] - [ -0.0003160300000000, 0.0011778200000000, 0.0003929700000000 ] - [ -0.0000106500000000, -0.0029184900000000, -0.0007813800000000 ] - [ -0.0008069800000000, -0.0025927900000000, -0.0003909200000000 ] - [ 0.0001294000000000, 0.0003017100000000, -0.0006865500000000 ] - [ 0.0002533700000000, -0.0001532000000000, -0.0005795800000000 ] - [ -0.0003120000000000, -0.0020743800000000, 0.0006798600000000 ] - [ 0.0002008100000000, -0.0010373500000000, -0.0000891600000000 ] - [ 0.0003997400000000, 0.0014687900000000, -0.0007763000000000 ] - [ 0.0003062400000000, 0.0004116100000000, -0.0006372900000000 ] - [ -0.0022696900000000, 0.0006482000000000, -0.0019934800000000 ] - [ 0.0002802200000000, -0.0006889500000000, 0.0010198900000000 ] - [ 0.0008725500000000, 0.0009235000000000, 0.0040055500000000 ] - [ -0.0003288100000000, -0.0006033800000000, 0.0002312800000000 ] - [ 0.0018520000000000, -0.0008753200000000, 0.0003827500000000 ] - [ -0.0001908500000000, 0.0001461700000000, -0.0007645900000000 ] - [ -0.0002344000000000, 0.0016808200000000, -0.0006943100000000 ] - [ 0.0001121600000000, 0.0013024000000000, -0.0004006800000000 ] - [ -0.0023896100000000, -0.0016125700000000, -0.0003534000000000 ] - [ -0.0005392900000000, -0.0008397300000000, -0.0006799200000000 ] - [ -0.0020009100000000, 0.0032759000000000, -0.0004549400000000 ] - [ -0.0004806600000000, -0.0000614600000000, -0.0009274300000000 ] - [ -0.0010671900000000, 0.0009752500000000, 0.0001201400000000 ] - [ -0.0006377200000000, 0.0003913400000000, -0.0007099300000000 ] - [ 0.0003925100000000, 0.0021823100000000, -0.0010331000000000 ] - [ -0.0002510400000000, 0.0008180000000000, -0.0008066800000000 ] - [ -0.0008215000000000, 0.0036421800000000, 0.0002469100000000 ] - [ 0.0002357200000000, 0.0004888600000000, -0.0002947300000000 ] - [ -0.0001362500000000, -0.0003272700000000, 0.0006203300000000 ] - [ 0.0001461400000000, 0.0002254700000000, -0.0004111300000000 ] - [ -0.0007919600000000, -0.0015496800000000, 0.0011380500000000 ] - [ -0.0018312800000000, -0.0050445700000000, 0.0008611400000000 ] - [ 0.0001277600000000, 0.0014916700000000, 0.0000596700000000 ] - [ -0.0000785400000000, 0.0015796200000000, -0.0001136200000000 ] - [ -0.0000897800000000, -0.0019540300000000, 0.0007465700000000 ] - [ -0.0008662700000000, -0.0056995800000000, 0.0014644400000000 ] - [ 0.0007656700000000, 0.0006769300000000, 0.0008451100000000 ] - [ 0.0009723900000000, 0.0008626500000000, 0.0010650200000000 ] - [ 0.0012651400000000, -0.0008307300000000, 0.0006062900000000 ] - [ -0.0005610900000000, -0.0013515700000000, -0.0000656200000000 ] - [ -0.0008578300000000, 0.0008849500000000, 0.0006532300000000 ] - [ -0.0000228100000000, 0.0008819100000000, 0.0008673700000000 ] - [ 0.0014746900000000, -0.0021590600000000, 0.0018319000000000 ] - [ 0.0008943200000000, -0.0018492000000000, 0.0007889800000000 ] - [ -0.0000332500000000, 0.0017710700000000, 0.0005952800000000 ] - [ 0.0001867100000000, 0.0016127400000000, 0.0007481500000000 ]- atom: 1 displacement: [ -0.0049044182890843, 0.0000000000000000, 0.0087147393102545 ] forces: - [ 0.0063993200000000, 0.0018693400000000, -0.0207621000000000 ] - [ 0.0000510700000000, -0.0004203200000000, 0.0006567500000000 ] - [ 0.0003341900000000, -0.0003478900000000, -0.0000727100000000 ] - [ 0.0002683300000000, -0.0002869200000000, 0.0001300500000000 ] - [ -0.0005313000000000, -0.0003341800000000, 0.0002200000000000 ] - [ 0.0001362400000000, 0.0001619000000000, -0.0008577000000000 ] - [ -0.0005345100000000, -0.0003032600000000, 0.0002173800000000 ] - [ 0.0002403800000000, -0.0008069400000000, -0.0007986300000000 ] - [ 0.0002447800000000, 0.0002480000000000, -0.0006385400000000 ] - [ -0.0013955600000000, -0.0001082800000000, 0.0014454600000000 ] - [ -0.0001857000000000, 0.0002580200000000, -0.0001993800000000 ] - [ -0.0003973900000000, 0.0004680700000000, 0.0001285700000000 ] - [ -0.0022426600000000, 0.0002467700000000, 0.0047719000000000 ] - [ 0.0006862700000000, 0.0002144000000000, -0.0003731900000000 ] - [ 0.0001124100000000, 0.0004464000000000, 0.0003422800000000 ] - [ 0.0003434700000000, 0.0003581200000000, 0.0000440500000000 ] - [ -0.0006243200000000, -0.0024012400000000, 0.0036873600000000 ] - [ 0.0006280100000000, 0.0001457600000000, 0.0000423100000000 ] - [ -0.0000295500000000, -0.0001394700000000, -0.0000627700000000 ] - [ 0.0000878700000000, -0.0003311800000000, -0.0002779800000000 ] - [ -0.0032225300000000, 0.0007464800000000, 0.0008003000000000 ] - [ -0.0001781100000000, -0.0002274400000000, -0.0016930600000000 ] - [ -0.0001155100000000, 0.0002948600000000, 0.0002739000000000 ] - [ -0.0000200700000000, 0.0003394300000000, 0.0002072700000000 ] - [ 0.0014072400000000, 0.0010899400000000, 0.0004219800000000 ] - [ -0.0003458600000000, -0.0009207600000000, 0.0013810700000000 ] - [ 0.0002090500000000, -0.0005155700000000, 0.0002741000000000 ] - [ -0.0000816100000000, -0.0001975000000000, 0.0003105000000000 ] - [ 0.0003868800000000, 0.0009747100000000, -0.0009069200000000 ] - [ -0.0000190300000000, 0.0002767400000000, -0.0002113900000000 ] - [ -0.0000360100000000, -0.0014547000000000, -0.0011662700000000 ] - [ -0.0002727000000000, 0.0006198600000000, -0.0002962700000000 ] - [ -0.0010797700000000, 0.0052636800000000, 0.0012288500000000 ] - [ -0.0003127100000000, 0.0006998400000000, 0.0004359500000000 ] - [ -0.0007604100000000, -0.0002631000000000, 0.0007361500000000 ] - [ -0.0003083700000000, 0.0005519100000000, 0.0007119000000000 ] - [ 0.0024877400000000, -0.0008240600000000, 0.0055362400000000 ] - [ 0.0050670200000000, 0.0012550400000000, 0.0051746300000000 ] - [ 0.0003849400000000, -0.0004166900000000, -0.0007160000000000 ] - [ 0.0004147300000000, -0.0002490400000000, -0.0008430700000000 ] - [ -0.0016258300000000, -0.0004245200000000, -0.0058285700000000 ] - [ -0.0040945100000000, 0.0054785500000000, -0.0025997300000000 ] - [ 0.0002604600000000, 0.0004137100000000, -0.0010021700000000 ] - [ 0.0002424100000000, 0.0004587100000000, -0.0009729800000000 ] - [ 0.0020235700000000, -0.0043274200000000, 0.0019358400000000 ] - [ -0.0003095700000000, -0.0001813400000000, 0.0012128900000000 ] - [ -0.0007720500000000, 0.0014333200000000, 0.0022527500000000 ] - [ -0.0002731300000000, -0.0002988000000000, 0.0011256400000000 ] - [ 0.0005659900000000, -0.0007042600000000, 0.0010334200000000 ] - [ 0.0000901800000000, 0.0008706200000000, 0.0009497300000000 ] - [ -0.0000291100000000, 0.0010175100000000, 0.0007604000000000 ] - [ -0.0000241200000000, 0.0006008200000000, 0.0006884700000000 ] - [ -0.0005708700000000, -0.0005606900000000, 0.0004652600000000 ] - [ -0.0011368600000000, -0.0012627500000000, -0.0035634000000000 ] - [ 0.0000053500000000, -0.0007110500000000, -0.0007066200000000 ] - [ 0.0000588000000000, -0.0008063100000000, -0.0006143800000000 ] - [ 0.0027196800000000, -0.0026678700000000, -0.0023433100000000 ] - [ -0.0002951000000000, -0.0003546100000000, -0.0000301500000000 ] - [ 0.0004340800000000, 0.0000938800000000, -0.0006475200000000 ] - [ 0.0001475100000000, -0.0003839900000000, -0.0002626500000000 ] - [ -0.0007549000000000, 0.0002557600000000, -0.0008186100000000 ] - [ -0.0002071600000000, -0.0010018500000000, 0.0003268800000000 ] - [ -0.0001664300000000, -0.0011427600000000, 0.0000224900000000 ] - [ -0.0001627600000000, -0.0005681700000000, 0.0003133500000000 ] - [ 0.0018391200000000, 0.0015158200000000, 0.0016850900000000 ] - [ 0.0013407400000000, -0.0003510700000000, 0.0018185500000000 ] - [ 0.0001037700000000, 0.0006063300000000, -0.0004367700000000 ] - [ 0.0000865600000000, 0.0007025800000000, -0.0005116500000000 ] - [ -0.0019818700000000, -0.0007733900000000, 0.0004219600000000 ] - [ -0.0005029900000000, -0.0006206600000000, -0.0009517800000000 ] - [ 0.0000284900000000, -0.0012751100000000, -0.0008652500000000 ] - [ -0.0005263900000000, -0.0004479600000000, -0.0008964100000000 ] - [ -0.0009669800000000, -0.0011338600000000, -0.0011698800000000 ] - [ -0.0004592500000000, 0.0004525900000000, -0.0007159600000000 ] - [ -0.0001984100000000, 0.0012433900000000, -0.0008337800000000 ] - [ -0.0004706900000000, 0.0003510600000000, -0.0007324800000000 ] - [ -0.0008818000000000, 0.0020974700000000, 0.0006101900000000 ] - [ 0.0002695600000000, 0.0000502400000000, -0.0006257600000000 ] - [ -0.0007576600000000, 0.0002096200000000, 0.0007359200000000 ] - [ 0.0004664900000000, 0.0002745400000000, -0.0007012900000000 ] - [ 0.0002804500000000, 0.0018132600000000, -0.0024421400000000 ] - [ -0.0010018600000000, 0.0003437100000000, 0.0020950400000000 ] - [ -0.0001591100000000, 0.0002631900000000, 0.0002711900000000 ] - [ -0.0002536700000000, 0.0001988100000000, 0.0004635600000000 ] - [ -0.0010697900000000, -0.0018720700000000, -0.0010842100000000 ] - [ -0.0007914900000000, -0.0017200500000000, 0.0019290100000000 ] - [ 0.0003875800000000, -0.0004686500000000, 0.0007403000000000 ] - [ 0.0004072000000000, -0.0006355200000000, 0.0008051000000000 ] - [ -0.0006960800000000, 0.0009096200000000, 0.0025149900000000 ] - [ 0.0011697400000000, -0.0022855900000000, -0.0006521100000000 ] - [ -0.0003587100000000, -0.0003530400000000, 0.0006077300000000 ] - [ -0.0000643600000000, -0.0002348000000000, 0.0003337900000000 ] - [ 0.0015111800000000, -0.0001792400000000, 0.0020986900000000 ] - [ -0.0011552200000000, -0.0007477300000000, 0.0028008700000000 ] - [ 0.0005449400000000, 0.0004413000000000, 0.0008560900000000 ] - [ 0.0005386300000000, 0.0004179700000000, 0.0008313600000000 ]- atom: 1 displacement: [ 0.0049044182890843, 0.0000000000000000, -0.0087147393102545 ] forces: - [ -0.0059838600000000, -0.0025105300000000, 0.0210860800000000 ] - [ 0.0005269300000000, -0.0002226300000000, -0.0004940000000000 ] - [ 0.0002451200000000, -0.0002927300000000, 0.0002357300000000 ] - [ 0.0003100800000000, -0.0003541700000000, 0.0000348700000000 ] - [ -0.0000480800000000, -0.0003064800000000, -0.0003836600000000 ] - [ -0.0007160200000000, -0.0008120700000000, 0.0006885100000000 ] - [ -0.0000436200000000, -0.0003398600000000, -0.0003816400000000 ] - [ -0.0008215700000000, 0.0001716900000000, 0.0006291000000000 ] - [ -0.0008198600000000, 0.0003914600000000, 0.0004765700000000 ] - [ 0.0008269100000000, 0.0007593300000000, -0.0016050100000000 ] - [ -0.0003915300000000, 0.0003846200000000, 0.0000348300000000 ] - [ -0.0001819300000000, 0.0001727700000000, -0.0002919500000000 ] - [ 0.0028215500000000, 0.0003636400000000, -0.0046070600000000 ] - [ -0.0001087400000000, 0.0004269100000000, 0.0005382800000000 ] - [ 0.0004648700000000, 0.0001976400000000, -0.0001767900000000 ] - [ 0.0002354000000000, 0.0002843300000000, 0.0001200300000000 ] - [ 0.0007032700000000, 0.0018278300000000, -0.0042028400000000 ] - [ -0.0005299800000000, -0.0007539700000000, -0.0005391700000000 ] - [ 0.0001227600000000, -0.0004629700000000, -0.0004314800000000 ] - [ 0.0000110000000000, -0.0002754700000000, -0.0002151600000000 ] - [ 0.0031002000000000, -0.0001365100000000, -0.0003203400000000 ] - [ 0.0000672900000000, 0.0008283000000000, 0.0021931000000000 ] - [ 0.0000177500000000, 0.0003147900000000, 0.0002187500000000 ] - [ -0.0000730100000000, 0.0002641000000000, 0.0002870600000000 ] - [ -0.0014995200000000, -0.0016925100000000, 0.0000883400000000 ] - [ 0.0002512600000000, 0.0003239800000000, -0.0008862000000000 ] - [ -0.0003171900000000, -0.0000872300000000, 0.0002208900000000 ] - [ -0.0000088900000000, -0.0003971600000000, 0.0001791000000000 ] - [ -0.0002769600000000, -0.0003693100000000, 0.0004088100000000 ] - [ 0.0001062000000000, 0.0003166400000000, -0.0002817900000000 ] - [ 0.0001305000000000, 0.0020561300000000, 0.0006547600000000 ] - [ 0.0003722400000000, -0.0000206200000000, -0.0001962300000000 ] - [ 0.0003845100000000, -0.0044062600000000, 0.0004571500000000 ] - [ -0.0003612300000000, 0.0000778600000000, 0.0012923900000000 ] - [ 0.0000822800000000, 0.0010401900000000, 0.0009870200000000 ] - [ -0.0003653000000000, 0.0002269900000000, 0.0010146000000000 ] - [ -0.0018243000000000, 0.0000347800000000, -0.0072886300000000 ] - [ -0.0043612400000000, -0.0020237600000000, -0.0069002500000000 ] - [ 0.0002902700000000, -0.0003615100000000, -0.0010094000000000 ] - [ 0.0002588700000000, -0.0005303100000000, -0.0008848900000000 ] - [ 0.0023024800000000, 0.0012020600000000, 0.0041009200000000 ] - [ 0.0047918800000000, -0.0046865600000000, 0.0008754500000000 ] - [ 0.0004111800000000, 0.0003689300000000, -0.0007259600000000 ] - [ 0.0004285800000000, 0.0003296400000000, -0.0007511900000000 ] - [ -0.0026790800000000, 0.0035400200000000, -0.0002058000000000 ] - [ -0.0003620100000000, -0.0006024800000000, 0.0005148700000000 ] - [ 0.0000939900000000, -0.0022013400000000, -0.0005034600000000 ] - [ -0.0003995500000000, -0.0004821000000000, 0.0006010700000000 ] - [ -0.0007058000000000, 0.0022028800000000, 0.0001743000000000 ] - [ -0.0002312000000000, 0.0006232500000000, 0.0002106200000000 ] - [ -0.0001074700000000, 0.0004828000000000, 0.0004101600000000 ] - [ -0.0001178000000000, 0.0008915300000000, 0.0004734300000000 ] - [ 0.0006520800000000, -0.0009398800000000, -0.0018192300000000 ] - [ 0.0012757200000000, -0.0002427000000000, 0.0024097300000000 ] - [ 0.0001326100000000, -0.0007862200000000, -0.0004618700000000 ] - [ 0.0000808400000000, -0.0006957700000000, -0.0005471200000000 ] - [ -0.0023120100000000, 0.0021290000000000, 0.0015753800000000 ] - [ 0.0007061800000000, -0.0001537200000000, -0.0007666300000000 ] - [ -0.0000257900000000, -0.0005981800000000, -0.0001446000000000 ] - [ 0.0002625200000000, -0.0001282100000000, -0.0005328700000000 ] - [ 0.0006123900000000, -0.0017577100000000, 0.0019789500000000 ] - [ 0.0000646000000000, -0.0004977300000000, 0.0008323200000000 ] - [ 0.0000282000000000, -0.0003644200000000, 0.0011278000000000 ] - [ 0.0000193800000000, -0.0009247300000000, 0.0008504900000000 ] - [ -0.0017566800000000, -0.0000426400000000, -0.0028299200000000 ] - [ -0.0012099500000000, 0.0018589600000000, -0.0029899000000000 ] - [ 0.0000377400000000, 0.0008905000000000, -0.0007264200000000 ] - [ 0.0000515400000000, 0.0007996700000000, -0.0006535300000000 ] - [ 0.0010674100000000, -0.0000972900000000, -0.0020991700000000 ] - [ -0.0004261200000000, -0.0003520000000000, -0.0006700600000000 ] - [ -0.0009555300000000, 0.0002876100000000, -0.0007658100000000 ] - [ -0.0004033600000000, -0.0005236800000000, -0.0007244100000000 ] - [ 0.0000340200000000, 0.0020898300000000, -0.0004453200000000 ] - [ -0.0004694700000000, 0.0005213000000000, -0.0009057700000000 ] - [ -0.0007321200000000, -0.0002619300000000, -0.0007835900000000 ] - [ -0.0004581900000000, 0.0006232900000000, -0.0008885000000000 ] - [ 0.0012865800000000, -0.0015878400000000, -0.0014038100000000 ] - [ 0.0001418000000000, 0.0004601400000000, -0.0001646200000000 ] - [ 0.0011662100000000, 0.0002740400000000, -0.0015426800000000 ] - [ -0.0000569000000000, 0.0002357800000000, -0.0000931500000000 ] - [ -0.0006858800000000, -0.0013012200000000, 0.0032408700000000 ] - [ 0.0006154500000000, 0.0001610200000000, -0.0012730500000000 ] - [ -0.0002493600000000, 0.0002434200000000, 0.0005269200000000 ] - [ -0.0001536400000000, 0.0003053800000000, 0.0003272100000000 ] - [ 0.0020024300000000, 0.0009045600000000, 0.0027095700000000 ] - [ 0.0017572900000000, 0.0006921900000000, -0.0001938100000000 ] - [ 0.0005436900000000, -0.0005079500000000, 0.0008852200000000 ] - [ 0.0005208300000000, -0.0003405200000000, 0.0008149600000000 ] - [ 0.0002843100000000, -0.0014162100000000, -0.0017182700000000 ] - [ -0.0015876500000000, 0.0017766200000000, 0.0014394500000000 ] - [ -0.0000492000000000, -0.0001544700000000, 0.0001842300000000 ] - [ -0.0003472300000000, -0.0002787400000000, 0.0004568000000000 ] - [ -0.0005812500000000, 0.0011531600000000, -0.0004734800000000 ] - [ 0.0023140300000000, 0.0016867800000000, -0.0012280000000000 ] - [ 0.0003859300000000, 0.0005300800000000, 0.0007660100000000 ] - [ 0.0003949000000000, 0.0005538800000000, 0.0007958400000000 ]- atom: 17 displacement: [ 0.0099994969313681, 0.0000000000000000, 0.0001003051322676 ] forces: - [ -0.0007048300000000, -0.0010536300000000, -0.0012030800000000 ] - [ 0.0011826300000000, -0.0002179000000000, 0.0012545600000000 ] - [ 0.0002238000000000, -0.0000911700000000, -0.0000388300000000 ] - [ 0.0003798700000000, -0.0002865600000000, 0.0001781400000000 ] - [ -0.0005774000000000, -0.0019492500000000, 0.0014283500000000 ] - [ 0.0004833300000000, -0.0000079000000000, 0.0000203600000000 ] - [ -0.0003913000000000, 0.0003008800000000, 0.0001691400000000 ] - [ -0.0003109900000000, -0.0004605800000000, -0.0001323600000000 ] - [ 0.0029176600000000, -0.0008352900000000, -0.0018711700000000 ] - [ 0.0038894400000000, 0.0013673100000000, 0.0021064300000000 ] - [ -0.0002392900000000, 0.0005643100000000, -0.0001281300000000 ] - [ -0.0003071800000000, 0.0003128600000000, -0.0000618900000000 ] - [ -0.0000615600000000, -0.0024607100000000, -0.0002225800000000 ] - [ 0.0011742700000000, 0.0005143100000000, 0.0002121700000000 ] - [ -0.0000904200000000, 0.0011414300000000, 0.0002417500000000 ] - [ 0.0004622800000000, 0.0002051600000000, 0.0001098700000000 ] - [ -0.0430900400000000, -0.0062408800000000, 0.0122334800000000 ] - [ 0.0006548000000000, -0.0002600500000000, -0.0000723700000000 ] - [ -0.0000870600000000, -0.0001486100000000, -0.0002314700000000 ] - [ 0.0001652500000000, -0.0001970300000000, -0.0001919300000000 ] - [ -0.0038098400000000, -0.0007344100000000, -0.0004801100000000 ] - [ 0.0004953900000000, 0.0003900300000000, 0.0006745600000000 ] - [ -0.0001563900000000, 0.0004281500000000, 0.0002555100000000 ] - [ 0.0000516600000000, 0.0004362200000000, 0.0003090600000000 ] - [ -0.0000232100000000, 0.0010688200000000, -0.0005917100000000 ] - [ 0.0002805700000000, -0.0005123800000000, 0.0003940000000000 ] - [ -0.0000224500000000, -0.0006902800000000, -0.0001636800000000 ] - [ 0.0002800600000000, -0.0001626400000000, 0.0004000600000000 ] - [ -0.0002215200000000, 0.0012171000000000, -0.0013274200000000 ] - [ 0.0003655100000000, 0.0001866500000000, 0.0000435700000000 ] - [ -0.0001223000000000, 0.0004158300000000, -0.0005490900000000 ] - [ 0.0003921400000000, 0.0002447600000000, -0.0000489800000000 ] - [ 0.0017927000000000, 0.0108360300000000, -0.0125826300000000 ] - [ 0.0006988100000000, 0.0004254800000000, 0.0025300400000000 ] - [ -0.0006105900000000, 0.0003544800000000, 0.0004626000000000 ] - [ 0.0000569800000000, 0.0008570300000000, 0.0011749900000000 ] - [ 0.0086680500000000, 0.0144730900000000, 0.0021409000000000 ] - [ 0.0008825400000000, -0.0008102900000000, 0.0001041100000000 ] - [ 0.0000838700000000, -0.0005647200000000, -0.0011253200000000 ] - [ 0.0007303100000000, 0.0001653600000000, -0.0006374800000000 ] - [ -0.0004293300000000, 0.0010426400000000, -0.0023335100000000 ] - [ 0.0017583700000000, -0.0014275800000000, 0.0000700000000000 ] - [ -0.0000213300000000, 0.0003705600000000, -0.0015235300000000 ] - [ 0.0002893600000000, 0.0010167700000000, -0.0002387600000000 ] - [ -0.0094300100000000, 0.0037936800000000, -0.0081571600000000 ] - [ 0.0005974000000000, -0.0011316800000000, 0.0019987700000000 ] - [ -0.0008967100000000, 0.0000849800000000, 0.0003666500000000 ] - [ -0.0001930800000000, -0.0002105900000000, 0.0013132800000000 ] - [ 0.0032155100000000, -0.0013030400000000, 0.0076595200000000 ] - [ -0.0009239300000000, 0.0007217800000000, -0.0007880500000000 ] - [ 0.0001621700000000, 0.0006357400000000, 0.0008913000000000 ] - [ -0.0003210600000000, 0.0006601000000000, 0.0002895700000000 ] - [ 0.0083341700000000, 0.0029766800000000, -0.0020647900000000 ] - [ -0.0005865500000000, -0.0005649700000000, -0.0012762000000000 ] - [ 0.0002720400000000, -0.0007647600000000, -0.0003392000000000 ] - [ -0.0001774500000000, -0.0008872400000000, -0.0008088100000000 ] - [ 0.0140676700000000, -0.0051314600000000, -0.0047696000000000 ] - [ -0.0006127400000000, 0.0001297500000000, -0.0010202700000000 ] - [ 0.0003369600000000, -0.0004176700000000, -0.0002817100000000 ] - [ 0.0000458400000000, -0.0004806900000000, -0.0004252700000000 ] - [ 0.0093567900000000, -0.0038097700000000, 0.0039261300000000 ] - [ -0.0010019500000000, -0.0007664300000000, -0.0002246600000000 ] - [ 0.0003457100000000, -0.0011974900000000, 0.0010187500000000 ] - [ -0.0003139200000000, -0.0007685500000000, 0.0002645800000000 ] - [ 0.0012741200000000, 0.0011528700000000, 0.0005019800000000 ] - [ -0.0010071800000000, 0.0011073800000000, -0.0016911200000000 ] - [ 0.0004934200000000, 0.0004812500000000, -0.0000524300000000 ] - [ -0.0001727100000000, 0.0006053400000000, -0.0009992500000000 ] - [ 0.0076611000000000, -0.0026586300000000, 0.0017148800000000 ] - [ -0.0012254000000000, 0.0002237400000000, -0.0013354700000000 ] - [ -0.0000516400000000, -0.0009338800000000, -0.0005775700000000 ] - [ -0.0005890800000000, -0.0005617800000000, -0.0009627100000000 ] - [ -0.0022505200000000, -0.0035082000000000, 0.0009216100000000 ] - [ -0.0013981900000000, 0.0004438100000000, -0.0013945500000000 ] - [ -0.0003484200000000, 0.0006874000000000, -0.0005780300000000 ] - [ -0.0008467900000000, 0.0000616400000000, -0.0010080200000000 ] - [ 0.0006343600000000, -0.0012059100000000, 0.0023819300000000 ] - [ -0.0000895400000000, 0.0004655300000000, -0.0007356800000000 ] - [ 0.0005875200000000, -0.0000526700000000, 0.0000134400000000 ] - [ -0.0000485200000000, -0.0000102400000000, -0.0007180400000000 ] - [ 0.0015587600000000, -0.0035586100000000, -0.0023516800000000 ] - [ -0.0007779800000000, 0.0007979700000000, 0.0000425500000000 ] - [ -0.0000948000000000, 0.0001878000000000, 0.0004168300000000 ] - [ -0.0003331400000000, -0.0000449500000000, 0.0004384300000000 ] - [ -0.0030049800000000, -0.0045773300000000, 0.0003609100000000 ] - [ 0.0000073800000000, -0.0002659200000000, 0.0007001900000000 ] - [ 0.0004722100000000, -0.0001808600000000, 0.0009233500000000 ] - [ 0.0001386800000000, -0.0010163200000000, 0.0006600200000000 ] - [ -0.0004414500000000, -0.0005417500000000, 0.0011739600000000 ] - [ -0.0006005000000000, 0.0004930500000000, 0.0003432800000000 ] - [ -0.0000720800000000, -0.0000790000000000, 0.0009485600000000 ] - [ -0.0003901200000000, -0.0009493500000000, -0.0001089200000000 ] - [ 0.0009482000000000, -0.0001100600000000, 0.0011863700000000 ] - [ -0.0005724100000000, 0.0022622400000000, -0.0002528500000000 ] - [ 0.0006533500000000, 0.0003086800000000, 0.0010207400000000 ] - [ 0.0005268300000000, 0.0001850200000000, 0.0006868400000000 ]- atom: 17 displacement: [ -0.0099994969313681, 0.0000000000000000, -0.0001003051322676 ] forces: - [ 0.0012813700000000, 0.0004219900000000, 0.0013515200000000 ] - [ -0.0006055800000000, -0.0004252800000000, -0.0010890100000000 ] - [ 0.0003522200000000, -0.0005532100000000, 0.0002013400000000 ] - [ 0.0001971700000000, -0.0003540700000000, -0.0000122800000000 ] - [ 0.0000085400000000, 0.0013118400000000, -0.0015897400000000 ] - [ -0.0010667000000000, -0.0006332200000000, -0.0001913700000000 ] - [ -0.0001885100000000, -0.0009426200000000, -0.0003318100000000 ] - [ -0.0002694300000000, -0.0001819500000000, -0.0000316100000000 ] - [ -0.0035391500000000, 0.0014881600000000, 0.0017256600000000 ] - [ -0.0044199100000000, -0.0007093300000000, -0.0022467000000000 ] - [ -0.0003394500000000, 0.0000765000000000, -0.0000361000000000 ] - [ -0.0002735000000000, 0.0003273200000000, -0.0001016600000000 ] - [ 0.0006302700000000, 0.0030901800000000, 0.0003844000000000 ] - [ -0.0005969800000000, 0.0001250700000000, -0.0000473500000000 ] - [ 0.0006613300000000, -0.0005003400000000, -0.0000764800000000 ] - [ 0.0001155500000000, 0.0004384800000000, 0.0000550000000000 ] - [ 0.0427637500000000, 0.0060535200000000, -0.0120639400000000 ] - [ -0.0005582900000000, -0.0003472000000000, -0.0004266300000000 ] - [ 0.0001802700000000, -0.0004580200000000, -0.0002643100000000 ] - [ -0.0000707800000000, -0.0004082500000000, -0.0003012600000000 ] - [ 0.0037017100000000, 0.0013539000000000, 0.0010039100000000 ] - [ -0.0005936100000000, 0.0002151200000000, -0.0001707700000000 ] - [ 0.0000580900000000, 0.0001779400000000, 0.0002421000000000 ] - [ -0.0001457500000000, 0.0001667100000000, 0.0001836100000000 ] - [ -0.0000711100000000, -0.0016614000000000, 0.0010868600000000 ] - [ -0.0003765600000000, -0.0000858000000000, 0.0001021400000000 ] - [ -0.0000636100000000, 0.0000914300000000, 0.0006589700000000 ] - [ -0.0003719500000000, -0.0004303900000000, 0.0000906500000000 ] - [ 0.0003194000000000, -0.0006159600000000, 0.0008302300000000 ] - [ -0.0002814100000000, 0.0004085500000000, -0.0005382200000000 ] - [ 0.0002132400000000, 0.0001790500000000, 0.0000536000000000 ] - [ -0.0002976000000000, 0.0003535100000000, -0.0004462300000000 ] - [ -0.0024312200000000, -0.0101068500000000, 0.0142472500000000 ] - [ -0.0013751000000000, 0.0003528800000000, -0.0008051000000000 ] - [ -0.0000660600000000, 0.0004235600000000, 0.0012641300000000 ] - [ -0.0007320400000000, -0.0000793300000000, 0.0005534900000000 ] - [ -0.0079824700000000, -0.0153604900000000, -0.0038724400000000 ] - [ -0.0002118400000000, 0.0000270700000000, -0.0018329500000000 ] - [ 0.0005884500000000, -0.0002186700000000, -0.0005961300000000 ] - [ -0.0000604100000000, -0.0009464000000000, -0.0010910900000000 ] - [ 0.0011055100000000, -0.0002680600000000, 0.0006070300000000 ] - [ -0.0010803400000000, 0.0021993900000000, -0.0017949900000000 ] - [ 0.0006942400000000, 0.0004090100000000, -0.0001999800000000 ] - [ 0.0003774400000000, -0.0002277500000000, -0.0014866200000000 ] - [ 0.0087714200000000, -0.0046900300000000, 0.0097983900000000 ] - [ -0.0012716300000000, 0.0003531500000000, -0.0002689700000000 ] - [ 0.0002210200000000, -0.0008670900000000, 0.0013586500000000 ] - [ -0.0004799000000000, -0.0005717900000000, 0.0004145900000000 ] - [ -0.0033612500000000, 0.0027971200000000, -0.0064881500000000 ] - [ 0.0007816300000000, 0.0007701400000000, 0.0019495900000000 ] - [ -0.0003027200000000, 0.0008647200000000, 0.0002715400000000 ] - [ 0.0001758600000000, 0.0008318300000000, 0.0008702700000000 ] - [ -0.0082889500000000, -0.0047155700000000, 0.0009510300000000 ] - [ 0.0007210400000000, -0.0009372200000000, 0.0001151400000000 ] - [ -0.0001376900000000, -0.0007307800000000, -0.0008286900000000 ] - [ 0.0003169000000000, -0.0006134500000000, -0.0003492000000000 ] - [ -0.0128983800000000, 0.0045250900000000, 0.0033282800000000 ] - [ 0.0010237000000000, -0.0006391300000000, 0.0002258600000000 ] - [ 0.0000716400000000, -0.0000879100000000, -0.0005094500000000 ] - [ 0.0003631600000000, -0.0000319100000000, -0.0003714200000000 ] - [ -0.0095246800000000, 0.0024284100000000, -0.0027452800000000 ] - [ 0.0008574000000000, -0.0007359200000000, 0.0013830300000000 ] - [ -0.0004836200000000, -0.0003084400000000, 0.0001449400000000 ] - [ 0.0001678900000000, -0.0007224400000000, 0.0008965000000000 ] - [ -0.0011340100000000, 0.0003456700000000, -0.0016601500000000 ] - [ 0.0011382600000000, 0.0004011700000000, 0.0005245500000000 ] - [ -0.0003552300000000, 0.0010187500000000, -0.0011118600000000 ] - [ 0.0003093700000000, 0.0008970900000000, -0.0001627400000000 ] - [ -0.0085525600000000, 0.0017318300000000, -0.0032724800000000 ] - [ 0.0002984200000000, -0.0011983900000000, -0.0002874700000000 ] - [ -0.0008796500000000, -0.0000415000000000, -0.0010481000000000 ] - [ -0.0003423900000000, -0.0004085900000000, -0.0006570300000000 ] - [ 0.0013140900000000, 0.0044906800000000, -0.0025151700000000 ] - [ 0.0004698600000000, 0.0005272900000000, -0.0002233300000000 ] - [ -0.0005806300000000, 0.0002895900000000, -0.0010401000000000 ] - [ -0.0000836000000000, 0.0009137400000000, -0.0006117600000000 ] - [ -0.0002324600000000, 0.0017409900000000, -0.0031545200000000 ] - [ 0.0005005100000000, 0.0000419500000000, -0.0000561000000000 ] - [ -0.0001747500000000, 0.0005608900000000, -0.0008054500000000 ] - [ 0.0004573700000000, 0.0005226400000000, -0.0000766300000000 ] - [ -0.0021162000000000, 0.0040420800000000, 0.0030377700000000 ] - [ 0.0003682000000000, -0.0002912700000000, 0.0007529200000000 ] - [ -0.0003168500000000, 0.0003229800000000, 0.0003798200000000 ] - [ -0.0000767400000000, 0.0005521100000000, 0.0003524200000000 ] - [ 0.0039222300000000, 0.0035946700000000, 0.0012428300000000 ] - [ 0.0009226600000000, -0.0007067300000000, 0.0009270100000000 ] - [ 0.0004554400000000, -0.0007930800000000, 0.0007025000000000 ] - [ 0.0007882200000000, 0.0000411000000000, 0.0009600600000000 ] - [ 0.0000242200000000, 0.0000336400000000, -0.0003788700000000 ] - [ 0.0001861000000000, -0.0009953200000000, 0.0004513300000000 ] - [ -0.0003428300000000, -0.0004306200000000, -0.0001580100000000 ] - [ -0.0000238000000000, 0.0004338100000000, 0.0009007200000000 ] - [ -0.0000236400000000, 0.0010890600000000, 0.0004314600000000 ] - [ 0.0014994800000000, -0.0012750200000000, 0.0018720700000000 ] - [ 0.0002723500000000, 0.0006662800000000, 0.0005985400000000 ] - [ 0.0004064800000000, 0.0007871100000000, 0.0009420800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001267000000000, -0.0013442100000000, -0.0025695200000000 ] - [ 0.0008598000000000, -0.0007536200000000, 0.0009200000000000 ] - [ 0.0003843100000000, 0.0008366600000000, 0.0003217600000000 ] - [ 0.0001586500000000, 0.0000936600000000, -0.0000214300000000 ] - [ -0.0019062200000000, -0.0005120700000000, -0.0025944300000000 ] - [ 0.0003841100000000, -0.0005275600000000, 0.0010119300000000 ] - [ -0.0002329700000000, 0.0007473300000000, 0.0001925100000000 ] - [ -0.0003750600000000, 0.0000709900000000, -0.0002458800000000 ] - [ -0.0012873000000000, -0.0017998100000000, -0.0001433100000000 ] - [ 0.0010219100000000, -0.0011617800000000, 0.0000496500000000 ] - [ -0.0002511300000000, 0.0011396000000000, -0.0000739000000000 ] - [ -0.0003643800000000, 0.0009027500000000, -0.0000814600000000 ] - [ -0.0023883900000000, 0.0031287900000000, 0.0005793000000000 ] - [ 0.0010716200000000, 0.0003865000000000, 0.0001563100000000 ] - [ 0.0011864000000000, 0.0017057800000000, -0.0001818100000000 ] - [ 0.0000334000000000, 0.0004828300000000, -0.0000379000000000 ] - [ -0.0054545300000000, -0.0587367800000000, -0.0101956700000000 ] - [ 0.0000908700000000, -0.0007953400000000, -0.0002613900000000 ] - [ 0.0001985600000000, 0.0005535100000000, -0.0000934700000000 ] - [ 0.0001507200000000, 0.0001160700000000, -0.0001642200000000 ] - [ -0.0011184500000000, -0.0010983900000000, 0.0027544100000000 ] - [ 0.0000395600000000, -0.0003563500000000, 0.0001846400000000 ] - [ 0.0000772900000000, 0.0009738000000000, 0.0003056300000000 ] - [ 0.0000887400000000, 0.0007401900000000, 0.0003595600000000 ] - [ 0.0003459200000000, 0.0016571700000000, -0.0004137700000000 ] - [ -0.0001822200000000, -0.0002481700000000, 0.0003209800000000 ] - [ -0.0014114800000000, 0.0016577400000000, 0.0001366800000000 ] - [ 0.0001685500000000, -0.0002481400000000, 0.0002566800000000 ] - [ -0.0008771300000000, 0.0002371400000000, 0.0004977800000000 ] - [ 0.0001540600000000, 0.0000875100000000, -0.0001421400000000 ] - [ -0.0000690800000000, 0.0009180600000000, -0.0004753000000000 ] - [ 0.0001018200000000, 0.0006458100000000, -0.0002367200000000 ] - [ 0.0008554200000000, -0.0057836100000000, -0.0001822200000000 ] - [ -0.0006974000000000, -0.0013260600000000, 0.0015970100000000 ] - [ 0.0003044900000000, 0.0019638700000000, 0.0005097400000000 ] - [ 0.0002208100000000, 0.0016144600000000, 0.0007652600000000 ] - [ 0.0132010600000000, 0.0065691000000000, 0.0137838100000000 ] - [ -0.0001863600000000, -0.0017564600000000, -0.0005819800000000 ] - [ 0.0007869100000000, 0.0014031300000000, -0.0017972500000000 ] - [ 0.0009356900000000, 0.0007490200000000, -0.0008071400000000 ] - [ 0.0010417800000000, 0.0003675400000000, -0.0004821300000000 ] - [ -0.0000113500000000, 0.0010159600000000, -0.0010288400000000 ] - [ -0.0004915400000000, 0.0019256400000000, -0.0009864700000000 ] - [ 0.0003929000000000, 0.0011181200000000, -0.0001859600000000 ] - [ 0.0033496200000000, 0.0117239000000000, 0.0220554300000000 ] - [ 0.0001462300000000, -0.0013132000000000, 0.0008450600000000 ] - [ -0.0013562900000000, 0.0016061200000000, 0.0008307900000000 ] - [ -0.0006057200000000, 0.0005336800000000, 0.0012204200000000 ] - [ 0.0000678200000000, 0.0028036100000000, -0.0008615300000000 ] - [ -0.0002996100000000, 0.0014196800000000, 0.0002713700000000 ] - [ -0.0001677000000000, 0.0000227000000000, 0.0006471600000000 ] - [ -0.0002298200000000, 0.0002517100000000, 0.0004920300000000 ] - [ 0.0022797700000000, 0.0136220500000000, -0.0069032100000000 ] - [ 0.0000600000000000, -0.0002825700000000, -0.0007440600000000 ] - [ 0.0002492200000000, -0.0019028300000000, -0.0001531700000000 ] - [ -0.0001481700000000, -0.0011379800000000, -0.0007293400000000 ] - [ -0.0017025300000000, 0.0065649000000000, 0.0002205900000000 ] - [ 0.0000920700000000, 0.0010594900000000, -0.0008659600000000 ] - [ -0.0000118600000000, -0.0014654100000000, 0.0000192000000000 ] - [ 0.0000494400000000, -0.0011145300000000, -0.0001341800000000 ] - [ -0.0045352500000000, 0.0119980300000000, -0.0031136200000000 ] - [ -0.0003672600000000, -0.0004329400000000, 0.0003897500000000 ] - [ 0.0001429500000000, -0.0018907700000000, 0.0008319900000000 ] - [ -0.0000858100000000, -0.0011082900000000, 0.0003971400000000 ] - [ 0.0002566700000000, 0.0006455000000000, -0.0013696600000000 ] - [ 0.0001590500000000, 0.0005889700000000, -0.0001963100000000 ] - [ 0.0003352300000000, 0.0000874700000000, -0.0003118700000000 ] - [ -0.0000820700000000, 0.0005297000000000, -0.0009613200000000 ] - [ -0.0014539100000000, 0.0059775100000000, -0.0032013900000000 ] - [ -0.0006008100000000, 0.0004718400000000, -0.0009570600000000 ] - [ 0.0002019400000000, -0.0019204900000000, -0.0005368900000000 ] - [ -0.0003487300000000, -0.0011767100000000, -0.0008186200000000 ] - [ 0.0002924500000000, 0.0046928800000000, -0.0000670400000000 ] - [ 0.0000993600000000, 0.0013970600000000, -0.0007424900000000 ] - [ -0.0007284900000000, -0.0007243900000000, -0.0009740900000000 ] - [ -0.0009345400000000, -0.0004443100000000, -0.0009682600000000 ] - [ -0.0003678000000000, -0.0039572400000000, -0.0054149600000000 ] - [ 0.0001865100000000, 0.0006632400000000, -0.0000827900000000 ] - [ 0.0005297400000000, -0.0012303700000000, -0.0003098600000000 ] - [ 0.0002137600000000, -0.0004070900000000, -0.0008155300000000 ] - [ -0.0021038700000000, 0.0061829800000000, -0.0036645600000000 ] - [ -0.0001080000000000, 0.0014258200000000, 0.0000554300000000 ] - [ -0.0004532600000000, -0.0011424100000000, 0.0011046000000000 ] - [ -0.0003869400000000, -0.0005269500000000, 0.0005417600000000 ] - [ -0.0024056300000000, -0.0038706500000000, -0.0027983600000000 ] - [ 0.0011595400000000, 0.0001050900000000, 0.0008974900000000 ] - [ 0.0005863300000000, -0.0018055200000000, 0.0010727900000000 ] - [ -0.0000464600000000, -0.0012508600000000, 0.0005601400000000 ] - [ -0.0008004100000000, -0.0009142100000000, 0.0005221600000000 ] - [ 0.0000566300000000, -0.0005451600000000, 0.0005285900000000 ] - [ 0.0008334100000000, -0.0009474300000000, -0.0001120100000000 ] - [ -0.0006481700000000, -0.0008327800000000, -0.0000022000000000 ] - [ 0.0001829700000000, 0.0008866800000000, 0.0005003800000000 ] - [ 0.0013405500000000, 0.0005123900000000, 0.0012816600000000 ] - [ 0.0009986100000000, -0.0006676800000000, 0.0010999300000000 ] - [ 0.0002856100000000, -0.0001206400000000, 0.0007050800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006972000000000, 0.0007167800000000, 0.0027405000000000 ] - [ -0.0002840100000000, 0.0001152600000000, -0.0007555900000000 ] - [ 0.0001911100000000, -0.0014762200000000, -0.0001582800000000 ] - [ 0.0004163300000000, -0.0007328900000000, 0.0001852200000000 ] - [ 0.0013247000000000, -0.0001294800000000, 0.0024195600000000 ] - [ -0.0009604900000000, -0.0001131800000000, -0.0011747300000000 ] - [ -0.0003433400000000, -0.0013862200000000, -0.0003568400000000 ] - [ -0.0001994400000000, -0.0007102300000000, 0.0000827700000000 ] - [ 0.0007236000000000, 0.0024359700000000, -0.0000201600000000 ] - [ -0.0016086100000000, 0.0017958300000000, -0.0002189000000000 ] - [ -0.0003243100000000, -0.0004987700000000, -0.0000905900000000 ] - [ -0.0002102500000000, -0.0002627000000000, -0.0000819900000000 ] - [ 0.0029934800000000, -0.0025170900000000, -0.0004220900000000 ] - [ -0.0004960700000000, 0.0002550800000000, 0.0000081100000000 ] - [ -0.0006082200000000, -0.0010601500000000, 0.0003450000000000 ] - [ 0.0005419500000000, 0.0001575400000000, 0.0002016100000000 ] - [ 0.0066315600000000, 0.0578523200000000, 0.0091534000000000 ] - [ 0.0000025000000000, 0.0001929300000000, -0.0002309600000000 ] - [ -0.0001036400000000, -0.0011567000000000, -0.0004008300000000 ] - [ -0.0000594400000000, -0.0007171800000000, -0.0003288200000000 ] - [ 0.0010252700000000, 0.0017242500000000, -0.0022571400000000 ] - [ -0.0001326600000000, 0.0009590700000000, 0.0003096000000000 ] - [ -0.0001732800000000, -0.0003676600000000, 0.0001889400000000 ] - [ -0.0001777700000000, -0.0001386900000000, 0.0001347200000000 ] - [ -0.0004457200000000, -0.0022491100000000, 0.0009078800000000 ] - [ 0.0000879300000000, -0.0003478800000000, 0.0001748200000000 ] - [ 0.0013215500000000, -0.0022512500000000, 0.0003594800000000 ] - [ -0.0002613000000000, -0.0003479300000000, 0.0002357300000000 ] - [ 0.0009691600000000, 0.0003545400000000, -0.0009896500000000 ] - [ -0.0000624200000000, 0.0005078400000000, -0.0003531000000000 ] - [ 0.0001586000000000, -0.0003219300000000, -0.0000211100000000 ] - [ -0.0000044400000000, -0.0000458300000000, -0.0002599700000000 ] - [ -0.0015617700000000, 0.0064376100000000, 0.0019547400000000 ] - [ 0.0000251500000000, 0.0021046900000000, 0.0001311200000000 ] - [ -0.0009785500000000, -0.0011851400000000, 0.0012163600000000 ] - [ -0.0008924400000000, -0.0008348100000000, 0.0009634100000000 ] - [ -0.0126311800000000, -0.0073543900000000, -0.0155682800000000 ] - [ 0.0008591000000000, 0.0009813800000000, -0.0011453500000000 ] - [ -0.0001150100000000, -0.0021820000000000, 0.0000700900000000 ] - [ -0.0002643800000000, -0.0015291800000000, -0.0009202600000000 ] - [ -0.0003760200000000, 0.0004189000000000, -0.0012514900000000 ] - [ 0.0006852300000000, -0.0002356700000000, -0.0006939800000000 ] - [ 0.0011630100000000, -0.0011465600000000, -0.0007439100000000 ] - [ 0.0002795300000000, -0.0003363000000000, -0.0015398600000000 ] - [ -0.0040155200000000, -0.0124202000000000, -0.0201359600000000 ] - [ -0.0008167800000000, 0.0005297100000000, 0.0008812200000000 ] - [ 0.0006846800000000, -0.0023883900000000, 0.0008955000000000 ] - [ -0.0000656400000000, -0.0013120200000000, 0.0005085300000000 ] - [ -0.0002243500000000, -0.0012864800000000, 0.0019771400000000 ] - [ 0.0001529500000000, 0.0000760200000000, 0.0008731700000000 ] - [ 0.0000229200000000, 0.0014750600000000, 0.0004968300000000 ] - [ 0.0000804200000000, 0.0012405200000000, 0.0006505500000000 ] - [ -0.0026677900000000, -0.0159915500000000, 0.0059786900000000 ] - [ 0.0000828500000000, -0.0012189500000000, -0.0004002300000000 ] - [ -0.0001046500000000, 0.0004068400000000, -0.0009944900000000 ] - [ 0.0002939000000000, -0.0003587600000000, -0.0004133500000000 ] - [ 0.0020967500000000, -0.0070245300000000, -0.0010094700000000 ] - [ 0.0003187700000000, -0.0015681800000000, 0.0000678500000000 ] - [ 0.0004226600000000, 0.0009583000000000, -0.0008112400000000 ] - [ 0.0003618500000000, 0.0006035300000000, -0.0006626800000000 ] - [ 0.0040015400000000, -0.0124783300000000, 0.0043847900000000 ] - [ 0.0002201700000000, -0.0010616900000000, 0.0007523900000000 ] - [ -0.0002854400000000, 0.0003903800000000, 0.0003119200000000 ] - [ -0.0000645900000000, -0.0003828300000000, 0.0007456400000000 ] - [ -0.0001071200000000, 0.0008484100000000, 0.0002371100000000 ] - [ -0.0000165700000000, 0.0009139000000000, -0.0009513500000000 ] - [ -0.0001884800000000, 0.0014113900000000, -0.0008308200000000 ] - [ 0.0002259200000000, 0.0009707900000000, -0.0001854900000000 ] - [ 0.0005135000000000, -0.0068981400000000, 0.0016063900000000 ] - [ -0.0003369700000000, -0.0014337000000000, -0.0006695100000000 ] - [ -0.0011387500000000, 0.0009548800000000, -0.0010933100000000 ] - [ -0.0005862800000000, 0.0002118900000000, -0.0008074900000000 ] - [ -0.0012168600000000, -0.0036794100000000, -0.0015433200000000 ] - [ -0.0010354500000000, -0.0004281500000000, -0.0008868400000000 ] - [ -0.0002065200000000, 0.0016942400000000, -0.0006494700000000 ] - [ -0.0000010300000000, 0.0014111400000000, -0.0006585400000000 ] - [ 0.0007767500000000, 0.0044739000000000, 0.0046194800000000 ] - [ 0.0002242100000000, -0.0001503500000000, -0.0007071500000000 ] - [ -0.0001142700000000, 0.0017426300000000, -0.0004847700000000 ] - [ 0.0001969400000000, 0.0009190200000000, 0.0000204000000000 ] - [ 0.0016860200000000, -0.0056958000000000, 0.0044772000000000 ] - [ -0.0003007100000000, -0.0009195000000000, 0.0007380700000000 ] - [ 0.0000419500000000, 0.0016510300000000, -0.0003057500000000 ] - [ -0.0000226100000000, 0.0010369600000000, 0.0002495000000000 ] - [ 0.0033351000000000, 0.0028909000000000, 0.0044143500000000 ] - [ -0.0002250200000000, -0.0010736700000000, 0.0007316600000000 ] - [ 0.0003528300000000, 0.0008394100000000, 0.0005585100000000 ] - [ 0.0009820000000000, 0.0002869000000000, 0.0010658700000000 ] - [ 0.0003894500000000, 0.0004016700000000, 0.0002714200000000 ] - [ -0.0004697600000000, 0.0000367500000000, 0.0002617300000000 ] - [ -0.0012421700000000, 0.0004432500000000, 0.0009042700000000 ] - [ 0.0002342600000000, 0.0003248000000000, 0.0007978700000000 ] - [ 0.0007528300000000, 0.0000752000000000, 0.0011260900000000 ] - [ -0.0004086600000000, 0.0004537400000000, 0.0003449900000000 ] - [ -0.0000629500000000, 0.0016349400000000, 0.0005269700000000 ] - [ 0.0006515600000000, 0.0010876200000000, 0.0009259800000000 ]- atom: 17 displacement: [ -0.0049044182890843, 0.0000000000000000, 0.0087147393102545 ] forces: - [ -0.0001685400000000, -0.0021520000000000, 0.0041525300000000 ] - [ 0.0004871600000000, -0.0001774300000000, 0.0001582000000000 ] - [ 0.0002771500000000, -0.0000292800000000, 0.0002998600000000 ] - [ 0.0002881300000000, -0.0003376900000000, 0.0000282600000000 ] - [ 0.0010901800000000, -0.0016467400000000, 0.0000509700000000 ] - [ -0.0006210200000000, -0.0003073200000000, 0.0010312200000000 ] - [ -0.0002203400000000, -0.0002681000000000, -0.0001668200000000 ] - [ -0.0002910600000000, -0.0002830300000000, 0.0000007000000000 ] - [ -0.0030484000000000, 0.0006659600000000, 0.0007005200000000 ] - [ -0.0006220700000000, -0.0000425300000000, -0.0021370500000000 ] - [ -0.0003393400000000, 0.0003880200000000, -0.0000468100000000 ] - [ -0.0002660900000000, 0.0003759400000000, -0.0001227000000000 ] - [ 0.0001903300000000, 0.0020745300000000, -0.0008323600000000 ] - [ 0.0001788900000000, 0.0003087600000000, 0.0001482000000000 ] - [ 0.0007345800000000, -0.0000632700000000, -0.0005088400000000 ] - [ 0.0001917500000000, 0.0003391100000000, 0.0000963800000000 ] - [ 0.0315437600000000, -0.0057083300000000, -0.0391660200000000 ] - [ -0.0000936500000000, -0.0003380400000000, -0.0002124100000000 ] - [ 0.0001221400000000, -0.0002410100000000, -0.0002886000000000 ] - [ 0.0000369600000000, -0.0002826100000000, -0.0002335400000000 ] - [ 0.0010833300000000, 0.0029899100000000, 0.0053592900000000 ] - [ 0.0000505700000000, 0.0002036000000000, 0.0004268700000000 ] - [ 0.0000126700000000, 0.0002905500000000, 0.0002118800000000 ] - [ -0.0000412700000000, 0.0003343200000000, 0.0002801200000000 ] - [ -0.0004163400000000, -0.0008680900000000, 0.0003869100000000 ] - [ -0.0000725000000000, -0.0002031900000000, 0.0001698400000000 ] - [ -0.0007886300000000, 0.0004747200000000, 0.0001784400000000 ] - [ -0.0000759200000000, -0.0004276900000000, 0.0001636400000000 ] - [ -0.0007769300000000, -0.0007971900000000, 0.0014359700000000 ] - [ 0.0001377400000000, 0.0002590100000000, -0.0002960200000000 ] - [ -0.0001364700000000, 0.0004372700000000, -0.0001250800000000 ] - [ 0.0000498200000000, 0.0003156300000000, -0.0002832700000000 ] - [ -0.0068659100000000, -0.0129193300000000, 0.0142749200000000 ] - [ -0.0003904400000000, 0.0002810400000000, 0.0008687100000000 ] - [ -0.0001777400000000, 0.0006379400000000, 0.0008915600000000 ] - [ -0.0003325900000000, 0.0004286800000000, 0.0008404300000000 ] - [ -0.0010323800000000, 0.0050323700000000, -0.0137477400000000 ] - [ 0.0000139900000000, -0.0004276500000000, -0.0010153100000000 ] - [ 0.0002874400000000, -0.0001466000000000, -0.0012361900000000 ] - [ 0.0002875500000000, -0.0005011500000000, -0.0008733700000000 ] - [ 0.0006600000000000, 0.0006422500000000, 0.0004729600000000 ] - [ 0.0004877000000000, -0.0000201200000000, -0.0008188600000000 ] - [ 0.0004521500000000, 0.0006320400000000, -0.0003158200000000 ] - [ 0.0004706900000000, 0.0003778900000000, -0.0007454300000000 ] - [ -0.0038573300000000, 0.0163131700000000, 0.0054717100000000 ] - [ -0.0003083900000000, -0.0004772500000000, 0.0007344900000000 ] - [ -0.0002623300000000, -0.0005761000000000, 0.0006893800000000 ] - [ -0.0003757900000000, -0.0003006200000000, 0.0008740100000000 ] - [ -0.0002117100000000, 0.0027003800000000, -0.0060142700000000 ] - [ -0.0001637500000000, 0.0008253800000000, 0.0007069100000000 ] - [ -0.0000970700000000, 0.0006539400000000, 0.0005139300000000 ] - [ -0.0000758100000000, 0.0007225600000000, 0.0005913000000000 ] - [ -0.0041782900000000, -0.0058661000000000, 0.0090609400000000 ] - [ 0.0001209900000000, -0.0007399200000000, -0.0005505800000000 ] - [ 0.0001975300000000, -0.0010454100000000, -0.0003319000000000 ] - [ 0.0000818800000000, -0.0007115900000000, -0.0005563500000000 ] - [ -0.0114510100000000, 0.0053843600000000, 0.0067121800000000 ] - [ 0.0003287500000000, -0.0001821500000000, -0.0003409000000000 ] - [ 0.0001188600000000, -0.0003507200000000, -0.0003241600000000 ] - [ 0.0002263400000000, -0.0002930000000000, -0.0003968300000000 ] - [ -0.0031456300000000, -0.0006315400000000, 0.0056391000000000 ] - [ 0.0000513600000000, -0.0006428500000000, 0.0005434900000000 ] - [ -0.0000866700000000, -0.0006814200000000, 0.0006948100000000 ] - [ -0.0000493400000000, -0.0007921400000000, 0.0005862700000000 ] - [ -0.0001551900000000, -0.0000531800000000, -0.0017460600000000 ] - [ 0.0000321100000000, 0.0008450200000000, -0.0006797800000000 ] - [ 0.0000178800000000, 0.0010365800000000, -0.0010665200000000 ] - [ 0.0000364500000000, 0.0007804000000000, -0.0006243800000000 ] - [ -0.0013340300000000, -0.0037472800000000, 0.0046854200000000 ] - [ -0.0003765300000000, -0.0004294000000000, -0.0009621400000000 ] - [ -0.0005761600000000, -0.0004298500000000, -0.0007873800000000 ] - [ -0.0004315500000000, -0.0005543900000000, -0.0007936600000000 ] - [ 0.0021763900000000, 0.0062802800000000, -0.0016087100000000 ] - [ -0.0004563400000000, 0.0005246600000000, -0.0006459300000000 ] - [ -0.0004753100000000, 0.0002276000000000, -0.0008975800000000 ] - [ -0.0004595600000000, 0.0004630400000000, -0.0008126000000000 ] - [ 0.0027901100000000, -0.0033243600000000, -0.0030371200000000 ] - [ 0.0000987800000000, 0.0003543100000000, -0.0003892100000000 ] - [ 0.0002523300000000, 0.0005861400000000, -0.0004556800000000 ] - [ 0.0001976100000000, 0.0001677600000000, -0.0003944000000000 ] - [ -0.0049610700000000, -0.0037472400000000, 0.0064845400000000 ] - [ 0.0001686400000000, 0.0001739300000000, 0.0000557500000000 ] - [ -0.0002716600000000, 0.0000435100000000, 0.0006413900000000 ] - [ -0.0001823600000000, 0.0003133700000000, 0.0003229300000000 ] - [ 0.0022315600000000, -0.0013577700000000, 0.0033093900000000 ] - [ 0.0008216800000000, -0.0005429900000000, 0.0006150600000000 ] - [ 0.0006005800000000, -0.0006465600000000, 0.0010472800000000 ] - [ 0.0005902600000000, -0.0003491200000000, 0.0007576500000000 ] - [ -0.0000462200000000, -0.0007206900000000, -0.0003504600000000 ] - [ -0.0002421800000000, -0.0000853400000000, 0.0005996000000000 ] - [ 0.0002433700000000, -0.0003274000000000, -0.0002204700000000 ] - [ -0.0004759600000000, -0.0002544200000000, 0.0005555800000000 ] - [ 0.0003863400000000, 0.0004552200000000, 0.0000919300000000 ] - [ -0.0001123700000000, 0.0007899500000000, 0.0010203000000000 ] - [ 0.0003622400000000, 0.0004389800000000, 0.0006966300000000 ] - [ 0.0003305100000000, 0.0004791700000000, 0.0008289700000000 ]- atom: 17 displacement: [ 0.0049044182890843, 0.0000000000000000, -0.0087147393102545 ] forces: - [ 0.0007598900000000, 0.0014840200000000, -0.0039616400000000 ] - [ 0.0000907400000000, -0.0004646200000000, 0.0000112100000000 ] - [ 0.0003001700000000, -0.0006122100000000, -0.0001370500000000 ] - [ 0.0002889100000000, -0.0003028200000000, 0.0001372400000000 ] - [ -0.0016778400000000, 0.0010058700000000, -0.0002050200000000 ] - [ 0.0000441600000000, -0.0003330700000000, -0.0011976700000000 ] - [ -0.0003601000000000, -0.0003719200000000, 0.0000050600000000 ] - [ -0.0002875300000000, -0.0003589500000000, -0.0001646900000000 ] - [ 0.0024455200000000, -0.0000192200000000, -0.0008769900000000 ] - [ 0.0000293600000000, 0.0006801600000000, 0.0019782300000000 ] - [ -0.0002391300000000, 0.0002532200000000, -0.0001177600000000 ] - [ -0.0003138100000000, 0.0002652700000000, -0.0000402900000000 ] - [ 0.0003793600000000, -0.0014313100000000, 0.0010069100000000 ] - [ 0.0004002500000000, 0.0003320300000000, 0.0000148300000000 ] - [ -0.0001607900000000, 0.0007057600000000, 0.0006758200000000 ] - [ 0.0003861100000000, 0.0003028100000000, 0.0000677300000000 ] - [ -0.0325294000000000, 0.0052270400000000, 0.0391878000000000 ] - [ 0.0001914700000000, -0.0002688900000000, -0.0002839400000000 ] - [ -0.0000343700000000, -0.0003584800000000, -0.0002032900000000 ] - [ 0.0000588500000000, -0.0003228500000000, -0.0002593000000000 ] - [ -0.0012001100000000, -0.0024247300000000, -0.0049245800000000 ] - [ -0.0001459100000000, 0.0003988200000000, 0.0000712900000000 ] - [ -0.0001097100000000, 0.0003147400000000, 0.0002798100000000 ] - [ -0.0000549300000000, 0.0002698300000000, 0.0002127300000000 ] - [ 0.0003252400000000, 0.0002779800000000, 0.0001020400000000 ] - [ -0.0000253200000000, -0.0003963700000000, 0.0003274600000000 ] - [ 0.0006962600000000, -0.0010697900000000, 0.0003136700000000 ] - [ -0.0000147800000000, -0.0001672900000000, 0.0003292600000000 ] - [ 0.0008765100000000, 0.0014075300000000, -0.0019330700000000 ] - [ -0.0000511800000000, 0.0003345900000000, -0.0001979200000000 ] - [ 0.0002242600000000, 0.0001545600000000, -0.0003712500000000 ] - [ 0.0000467000000000, 0.0002839100000000, -0.0002114600000000 ] - [ 0.0063603200000000, 0.0136872200000000, -0.0125978500000000 ] - [ -0.0002838000000000, 0.0004969700000000, 0.0008585400000000 ] - [ -0.0004977300000000, 0.0001407600000000, 0.0008351900000000 ] - [ -0.0003410900000000, 0.0003514700000000, 0.0008872600000000 ] - [ 0.0017811100000000, -0.0057226500000000, 0.0120672900000000 ] - [ 0.0006610200000000, -0.0003549000000000, -0.0007046400000000 ] - [ 0.0003854700000000, -0.0006333200000000, -0.0004876400000000 ] - [ 0.0003851900000000, -0.0002776500000000, -0.0008528900000000 ] - [ 0.0000109500000000, 0.0001314000000000, -0.0022109900000000 ] - [ 0.0001835400000000, 0.0008042300000000, -0.0009042600000000 ] - [ 0.0002180600000000, 0.0001517500000000, -0.0014094900000000 ] - [ 0.0001997400000000, 0.0004074700000000, -0.0009793000000000 ] - [ 0.0032149900000000, -0.0170258400000000, -0.0038074400000000 ] - [ -0.0003653500000000, -0.0003040500000000, 0.0009929300000000 ] - [ -0.0004131700000000, -0.0002073400000000, 0.0010327700000000 ] - [ -0.0002980800000000, -0.0004788400000000, 0.0008544500000000 ] - [ 0.0000375600000000, -0.0012062300000000, 0.0071653100000000 ] - [ 0.0000206500000000, 0.0006668000000000, 0.0004551200000000 ] - [ -0.0000428500000000, 0.0008450700000000, 0.0006512000000000 ] - [ -0.0000691700000000, 0.0007678000000000, 0.0005690100000000 ] - [ 0.0042334300000000, 0.0041871600000000, -0.0102150900000000 ] - [ 0.0000125500000000, -0.0007630900000000, -0.0006171900000000 ] - [ -0.0000615400000000, -0.0004500900000000, -0.0008348200000000 ] - [ 0.0000570300000000, -0.0007891100000000, -0.0006026100000000 ] - [ 0.0128822600000000, -0.0060308900000000, -0.0082085800000000 ] - [ 0.0000802600000000, -0.0003237500000000, -0.0004556400000000 ] - [ 0.0002897400000000, -0.0001514900000000, -0.0004688000000000 ] - [ 0.0001838100000000, -0.0002183300000000, -0.0004003300000000 ] - [ 0.0030193300000000, -0.0008427100000000, -0.0044750100000000 ] - [ -0.0001942400000000, -0.0008566500000000, 0.0006151500000000 ] - [ -0.0000493300000000, -0.0008265500000000, 0.0004705100000000 ] - [ -0.0000964700000000, -0.0006996100000000, 0.0005739600000000 ] - [ 0.0003025200000000, 0.0015587300000000, 0.0005963200000000 ] - [ 0.0001032500000000, 0.0006590500000000, -0.0004817600000000 ] - [ 0.0001216000000000, 0.0004596200000000, -0.0000976100000000 ] - [ 0.0000998400000000, 0.0007223000000000, -0.0005374600000000 ] - [ 0.0004952200000000, 0.0028932400000000, -0.0060164200000000 ] - [ -0.0005513600000000, -0.0005418200000000, -0.0006602200000000 ] - [ -0.0003560900000000, -0.0005458700000000, -0.0008389600000000 ] - [ -0.0004987400000000, -0.0004171900000000, -0.0008257200000000 ] - [ -0.0031243300000000, -0.0053124700000000, -0.0000042700000000 ] - [ -0.0004751800000000, 0.0004486400000000, -0.0009733100000000 ] - [ -0.0004543200000000, 0.0007470100000000, -0.0007205700000000 ] - [ -0.0004712600000000, 0.0005088400000000, -0.0008069400000000 ] - [ -0.0023871500000000, 0.0038500300000000, 0.0022644800000000 ] - [ 0.0003136700000000, 0.0001529400000000, -0.0004030200000000 ] - [ 0.0001607200000000, -0.0000781500000000, -0.0003334600000000 ] - [ 0.0002135800000000, 0.0003400600000000, -0.0004023000000000 ] - [ 0.0045414100000000, 0.0042248600000000, -0.0057678600000000 ] - [ -0.0005826000000000, 0.0003313000000000, 0.0007368600000000 ] - [ -0.0001391400000000, 0.0004619900000000, 0.0001599700000000 ] - [ -0.0002290700000000, 0.0001906200000000, 0.0004697400000000 ] - [ -0.0013189900000000, 0.0003683400000000, -0.0016989000000000 ] - [ 0.0001071500000000, -0.0004281500000000, 0.0010062200000000 ] - [ 0.0003298800000000, -0.0003280400000000, 0.0005792900000000 ] - [ 0.0003363200000000, -0.0006264900000000, 0.0008618600000000 ] - [ -0.0003724000000000, 0.0002160700000000, 0.0011527700000000 ] - [ -0.0001702700000000, -0.0004204200000000, 0.0001938700000000 ] - [ -0.0006554400000000, -0.0001800000000000, 0.0010158700000000 ] - [ 0.0000604400000000, -0.0002548800000000, 0.0002386100000000 ] - [ 0.0005451500000000, 0.0005228200000000, 0.0015301800000000 ] - [ 0.0010436900000000, 0.0001826200000000, 0.0006083800000000 ] - [ 0.0005677600000000, 0.0005307900000000, 0.0009244600000000 ] - [ 0.0006011200000000, 0.0004929600000000, 0.0007986300000000 ]- atom: 33 displacement: [ 0.0099994969313681, 0.0000000000000000, 0.0001003051322676 ] forces: - [ -0.0019478200000000, -0.0018842500000000, -0.0020163300000000 ] - [ 0.0015028400000000, -0.0002763000000000, 0.0007865400000000 ] - [ -0.0000092900000000, 0.0007034700000000, -0.0005710100000000 ] - [ 0.0006842900000000, -0.0001876500000000, 0.0003353800000000 ] - [ 0.0037796400000000, -0.0035970000000000, -0.0000890900000000 ] - [ 0.0059701600000000, 0.0007278700000000, -0.0017060800000000 ] - [ -0.0000504500000000, 0.0005303800000000, -0.0000367700000000 ] - [ -0.0004097700000000, 0.0001203300000000, -0.0002578300000000 ] - [ 0.0016985000000000, -0.0003784200000000, 0.0035768500000000 ] - [ 0.0006945900000000, -0.0030227300000000, 0.0059776700000000 ] - [ -0.0002154700000000, 0.0009294900000000, 0.0000157500000000 ] - [ -0.0003641400000000, 0.0011069200000000, -0.0000336500000000 ] - [ -0.0002139300000000, 0.0015828800000000, -0.0006832700000000 ] - [ 0.0010921800000000, 0.0005699800000000, 0.0006097800000000 ] - [ -0.0015198700000000, 0.0043691300000000, 0.0017788700000000 ] - [ 0.0009199900000000, 0.0000622300000000, 0.0004702200000000 ] - [ 0.0020901100000000, 0.0008985000000000, -0.0064921600000000 ] - [ 0.0010993500000000, -0.0006579700000000, 0.0002833900000000 ] - [ -0.0002321900000000, 0.0003379700000000, -0.0002167200000000 ] - [ 0.0004428100000000, 0.0002550400000000, -0.0000196300000000 ] - [ 0.0082996100000000, 0.0132861900000000, 0.0031472400000000 ] - [ 0.0005150400000000, -0.0002216500000000, 0.0001836000000000 ] - [ -0.0002942300000000, 0.0007428700000000, 0.0000426600000000 ] - [ 0.0003522100000000, 0.0009040500000000, 0.0004128200000000 ] - [ -0.0004104200000000, 0.0005292800000000, 0.0001855800000000 ] - [ -0.0000863800000000, -0.0003643000000000, 0.0003818300000000 ] - [ -0.0008246900000000, -0.0010074000000000, 0.0001930100000000 ] - [ 0.0013738200000000, 0.0000534300000000, 0.0012223500000000 ] - [ -0.0090696700000000, -0.0036127800000000, -0.0093701800000000 ] - [ 0.0009890800000000, -0.0001836900000000, 0.0003127900000000 ] - [ -0.0005140200000000, 0.0013240500000000, -0.0004802100000000 ] - [ 0.0001953600000000, 0.0005660800000000, -0.0002093000000000 ] - [ -0.3990174700000000, -0.1814572500000000, -0.1278944800000000 ] - [ 0.0010276100000000, 0.0002093100000000, 0.0034895600000000 ] - [ 0.0000778100000000, 0.0022087900000000, -0.0003195700000000 ] - [ 0.0003997100000000, 0.0015568800000000, 0.0011280500000000 ] - [ 0.0011556300000000, 0.0032374300000000, -0.0027868500000000 ] - [ -0.0012164700000000, -0.0047898600000000, 0.0013074600000000 ] - [ -0.0004874500000000, -0.0006338100000000, -0.0019743000000000 ] - [ 0.0024976300000000, 0.0029427900000000, 0.0002168300000000 ] - [ -0.0004123200000000, 0.0037924200000000, 0.0010846300000000 ] - [ 0.0003744700000000, 0.0004392300000000, -0.0008167200000000 ] - [ -0.0003519800000000, -0.0028594000000000, -0.0053917000000000 ] - [ 0.0003576600000000, 0.0020632500000000, 0.0008249300000000 ] - [ -0.0034767000000000, -0.0032231100000000, -0.0030804800000000 ] - [ 0.0022510200000000, -0.0026001200000000, 0.0041599400000000 ] - [ -0.0013168100000000, 0.0013344700000000, 0.0006294100000000 ] - [ -0.0003070600000000, 0.0003662700000000, 0.0015975000000000 ] - [ 0.1266095500000000, 0.0073263400000000, 0.0915497400000000 ] - [ -0.0015600100000000, 0.0012484100000000, -0.0013102500000000 ] - [ 0.0001718000000000, -0.0000132600000000, 0.0012387400000000 ] - [ -0.0004380100000000, 0.0002412700000000, 0.0002465600000000 ] - [ 0.0010657200000000, -0.0018316300000000, -0.0001134700000000 ] - [ -0.0003389100000000, 0.0002123300000000, -0.0017469700000000 ] - [ 0.0011340900000000, -0.0010489900000000, 0.0000580300000000 ] - [ -0.0011111700000000, -0.0015555400000000, -0.0018156100000000 ] - [ 0.0888268600000000, 0.0320432800000000, -0.0154563100000000 ] - [ -0.0007412800000000, 0.0003965700000000, -0.0016391000000000 ] - [ 0.0002869000000000, -0.0020369200000000, 0.0005200000000000 ] - [ -0.0002229000000000, -0.0009431200000000, -0.0003372200000000 ] - [ 0.0029429900000000, 0.0014905700000000, 0.0038407800000000 ] - [ -0.0025100000000000, -0.0002912800000000, -0.0022074900000000 ] - [ 0.0003122600000000, -0.0015205900000000, 0.0009231400000000 ] - [ -0.0003085400000000, -0.0010986100000000, 0.0001250700000000 ] - [ -0.0001484800000000, -0.0017027100000000, -0.0012069100000000 ] - [ -0.0001555900000000, 0.0007029900000000, -0.0005481200000000 ] - [ 0.0026424100000000, 0.0006655300000000, 0.0032738200000000 ] - [ -0.0008313200000000, 0.0002286300000000, -0.0018556000000000 ] - [ 0.0015710200000000, 0.0011291700000000, 0.0008322000000000 ] - [ -0.0028491300000000, 0.0014331900000000, -0.0023332100000000 ] - [ 0.0002350800000000, -0.0017900200000000, -0.0004743000000000 ] - [ -0.0006120300000000, -0.0010021300000000, -0.0009791000000000 ] - [ 0.1749740500000000, 0.1358336500000000, 0.0531655900000000 ] - [ -0.0017935200000000, 0.0005390500000000, -0.0017613700000000 ] - [ -0.0005395500000000, -0.0007643500000000, -0.0006860500000000 ] - [ -0.0010322900000000, -0.0004240400000000, -0.0011127200000000 ] - [ 0.0009423500000000, 0.0022533200000000, 0.0037524100000000 ] - [ -0.0008465600000000, 0.0008454300000000, -0.0014066500000000 ] - [ 0.0007752100000000, -0.0008521600000000, -0.0005607500000000 ] - [ 0.0000012700000000, -0.0004073400000000, -0.0008959600000000 ] - [ -0.0025491200000000, -0.0023247600000000, 0.0028740000000000 ] - [ -0.0015120400000000, 0.0041076500000000, -0.0007695300000000 ] - [ -0.0000369200000000, -0.0000196100000000, 0.0006437600000000 ] - [ -0.0008074500000000, -0.0016086600000000, 0.0007864900000000 ] - [ -0.0006631600000000, -0.0025803800000000, 0.0007270600000000 ] - [ 0.0022082500000000, 0.0009633400000000, 0.0008576300000000 ] - [ 0.0006522300000000, 0.0002606800000000, 0.0011960500000000 ] - [ -0.0017101800000000, -0.0033915900000000, 0.0000859000000000 ] - [ 0.0002848900000000, -0.0024749900000000, -0.0010673600000000 ] - [ -0.0000774500000000, -0.0003781700000000, 0.0004944900000000 ] - [ -0.0000887600000000, 0.0036773400000000, 0.0013839700000000 ] - [ -0.0007583700000000, -0.0016321900000000, -0.0014342900000000 ] - [ -0.0004144100000000, -0.0021284100000000, -0.0000505900000000 ] - [ 0.0009563800000000, 0.0009913000000000, 0.0010519600000000 ] - [ 0.0005633500000000, 0.0008724600000000, 0.0020657700000000 ] - [ 0.0004079300000000, -0.0004343400000000, 0.0001674300000000 ]- atom: 33 displacement: [ -0.0099994969313681, 0.0000000000000000, -0.0001003051322676 ] forces: - [ 0.0025112800000000, 0.0012224700000000, 0.0021644500000000 ] - [ -0.0009259400000000, -0.0003712100000000, -0.0006245700000000 ] - [ 0.0005854900000000, -0.0013409500000000, 0.0007343600000000 ] - [ -0.0001054400000000, -0.0004499600000000, -0.0001705100000000 ] - [ -0.0044017400000000, 0.0029919700000000, -0.0000718300000000 ] - [ -0.0064866100000000, -0.0013422000000000, 0.0015196500000000 ] - [ -0.0005239700000000, -0.0011712200000000, -0.0001267700000000 ] - [ -0.0001706200000000, -0.0007608600000000, 0.0000919800000000 ] - [ -0.0022672700000000, 0.0010123800000000, -0.0037507800000000 ] - [ -0.0012987300000000, 0.0036488700000000, -0.0061021600000000 ] - [ -0.0003606900000000, -0.0002864800000000, -0.0001784400000000 ] - [ -0.0002170400000000, -0.0004643600000000, -0.0001315100000000 ] - [ 0.0007876800000000, -0.0009337000000000, 0.0008434300000000 ] - [ -0.0005123000000000, 0.0000689100000000, -0.0004436500000000 ] - [ 0.0020915800000000, -0.0037137200000000, -0.0016098900000000 ] - [ -0.0003388600000000, 0.0005818600000000, -0.0003053700000000 ] - [ -0.0019927000000000, -0.0014966100000000, 0.0060792000000000 ] - [ -0.0010023500000000, 0.0000531200000000, -0.0007717400000000 ] - [ 0.0003190100000000, -0.0009360300000000, -0.0002732000000000 ] - [ -0.0003511400000000, -0.0008552000000000, -0.0004745300000000 ] - [ -0.0083513900000000, -0.0128401800000000, -0.0026979900000000 ] - [ -0.0006010300000000, 0.0008132100000000, 0.0003006700000000 ] - [ 0.0002102400000000, -0.0001426500000000, 0.0004497200000000 ] - [ -0.0004426400000000, -0.0003007700000000, 0.0000795200000000 ] - [ 0.0003191100000000, -0.0011257800000000, 0.0003147800000000 ] - [ -0.0000094100000000, -0.0002343000000000, 0.0001129700000000 ] - [ 0.0007357100000000, 0.0004200400000000, 0.0002970000000000 ] - [ -0.0014681100000000, -0.0006415100000000, -0.0007247900000000 ] - [ 0.0091252200000000, 0.0041729100000000, 0.0088824900000000 ] - [ -0.0008978000000000, 0.0007795700000000, -0.0008079300000000 ] - [ 0.0006065300000000, -0.0007234800000000, -0.0000142000000000 ] - [ -0.0001043100000000, 0.0000301300000000, -0.0002856900000000 ] - [ 0.3956923700000000, 0.1739528700000000, 0.1320996500000000 ] - [ -0.0016968500000000, 0.0005657600000000, -0.0017520100000000 ] - [ -0.0007473200000000, -0.0014245100000000, 0.0020488200000000 ] - [ -0.0010722100000000, -0.0007762400000000, 0.0005975800000000 ] - [ -0.0004721800000000, -0.0040684600000000, 0.0011241600000000 ] - [ 0.0018627800000000, 0.0039464600000000, -0.0030085100000000 ] - [ 0.0011692100000000, -0.0001366200000000, 0.0002537000000000 ] - [ -0.0018183800000000, -0.0037146500000000, -0.0019459800000000 ] - [ 0.0010974500000000, -0.0030158500000000, -0.0027854700000000 ] - [ 0.0002913700000000, 0.0003454000000000, -0.0009194000000000 ] - [ 0.0010275700000000, 0.0036451700000000, 0.0036709800000000 ] - [ 0.0003078000000000, -0.0012719200000000, -0.0025601200000000 ] - [ 0.0028199800000000, 0.0024047000000000, 0.0048088100000000 ] - [ -0.0029187700000000, 0.0018229200000000, -0.0024155800000000 ] - [ 0.0006424100000000, -0.0021087900000000, 0.0010980700000000 ] - [ -0.0003651500000000, -0.0011457500000000, 0.0001297300000000 ] - [ -0.1276093500000000, -0.0060866600000000, -0.0952706400000000 ] - [ 0.0014094900000000, 0.0002463600000000, 0.0024628800000000 ] - [ -0.0003122300000000, 0.0015117100000000, -0.0000844600000000 ] - [ 0.0002930000000000, 0.0012441400000000, 0.0009106200000000 ] - [ -0.0009400500000000, 0.0003438800000000, -0.0010770000000000 ] - [ 0.0004778700000000, -0.0017041200000000, 0.0005794600000000 ] - [ -0.0010026400000000, -0.0004497400000000, -0.0012214900000000 ] - [ 0.0012511800000000, 0.0000534300000000, 0.0006614900000000 ] - [ -0.0877731000000000, -0.0319010900000000, 0.0140136900000000 ] - [ 0.0011476200000000, -0.0009045100000000, 0.0008355200000000 ] - [ 0.0001219500000000, 0.0015285600000000, -0.0013117100000000 ] - [ 0.0006342600000000, 0.0004266600000000, -0.0004587000000000 ] - [ -0.0030941900000000, -0.0029734700000000, -0.0026924100000000 ] - [ 0.0023575000000000, -0.0012106100000000, 0.0033443500000000 ] - [ -0.0004495800000000, 0.0000098000000000, 0.0002328200000000 ] - [ 0.0001635900000000, -0.0003899000000000, 0.0010306500000000 ] - [ 0.0002699100000000, 0.0031865500000000, 0.0000307300000000 ] - [ 0.0002965200000000, 0.0008052800000000, -0.0005983000000000 ] - [ -0.0025040000000000, 0.0008366000000000, -0.0044377700000000 ] - [ 0.0009691700000000, 0.0012715300000000, 0.0007059200000000 ] - [ -0.0025113600000000, -0.0020789600000000, -0.0024377400000000 ] - [ 0.0019167100000000, -0.0024023800000000, 0.0007107700000000 ] - [ -0.0011661300000000, 0.0008121600000000, -0.0011532200000000 ] - [ -0.0003187700000000, 0.0000299900000000, -0.0006420400000000 ] - [ -0.1729984100000000, -0.1268530600000000, -0.0517742300000000 ] - [ 0.0008638800000000, 0.0004352500000000, 0.0001315500000000 ] - [ -0.0003892400000000, 0.0017314400000000, -0.0009391400000000 ] - [ 0.0001028500000000, 0.0013968100000000, -0.0005079200000000 ] - [ -0.0005319400000000, -0.0017367000000000, -0.0045383400000000 ] - [ 0.0012610400000000, -0.0003403600000000, 0.0006105400000000 ] - [ -0.0003610000000000, 0.0013574800000000, -0.0002334800000000 ] - [ 0.0004112100000000, 0.0009218600000000, 0.0001000600000000 ] - [ 0.0021586500000000, 0.0028812600000000, -0.0021230800000000 ] - [ 0.0010869500000000, -0.0035444700000000, 0.0015473900000000 ] - [ -0.0003768400000000, 0.0005254600000000, 0.0001563600000000 ] - [ 0.0003959300000000, 0.0021131900000000, 0.0000066400000000 ] - [ 0.0015939700000000, 0.0016301800000000, 0.0008839800000000 ] - [ -0.0012499900000000, -0.0019110900000000, 0.0007718500000000 ] - [ 0.0002768900000000, -0.0012451000000000, 0.0004283500000000 ] - [ 0.0026464000000000, 0.0024073700000000, 0.0015302800000000 ] - [ -0.0006994400000000, 0.0019592300000000, 0.0018487600000000 ] - [ -0.0003296400000000, -0.0001303500000000, 0.0003020400000000 ] - [ -0.0003233400000000, -0.0041895300000000, -0.0005946100000000 ] - [ 0.0003486400000000, 0.0011150700000000, 0.0022340300000000 ] - [ 0.0013256500000000, 0.0031040900000000, 0.0016699900000000 ] - [ -0.0000145400000000, -0.0000187600000000, 0.0005851500000000 ] - [ 0.0003624000000000, 0.0001001500000000, -0.0004459700000000 ] - [ 0.0005307100000000, 0.0014006200000000, 0.0014673100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037056000000000, 0.0001212900000000, 0.0033544300000000 ] - [ 0.0010986300000000, -0.0009778400000000, 0.0008943400000000 ] - [ 0.0003957500000000, 0.0019023700000000, -0.0006088200000000 ] - [ 0.0002933200000000, 0.0004253500000000, 0.0002726000000000 ] - [ -0.0022033000000000, -0.0029240900000000, -0.0002336200000000 ] - [ 0.0069857500000000, -0.0014221600000000, -0.0018318700000000 ] - [ 0.0000896200000000, 0.0014090300000000, 0.0001054600000000 ] - [ -0.0005485600000000, 0.0012079200000000, -0.0003031200000000 ] - [ 0.0001848700000000, -0.0014725400000000, -0.0003027500000000 ] - [ -0.0029343000000000, -0.0078381800000000, 0.0003184500000000 ] - [ -0.0001699800000000, 0.0019212100000000, -0.0000480300000000 ] - [ -0.0004542400000000, 0.0020912700000000, -0.0000135400000000 ] - [ -0.0004623400000000, 0.0079442500000000, -0.0024060900000000 ] - [ 0.0009482600000000, 0.0005698000000000, 0.0003480700000000 ] - [ -0.0013004500000000, 0.0078060400000000, 0.0037252400000000 ] - [ 0.0005673600000000, 0.0003117100000000, -0.0000027300000000 ] - [ 0.0105782900000000, -0.0064001800000000, -0.0095446100000000 ] - [ 0.0000806700000000, -0.0020099000000000, -0.0003492500000000 ] - [ 0.0000062300000000, 0.0012761700000000, 0.0000192000000000 ] - [ 0.0005077100000000, 0.0009253900000000, 0.0000591100000000 ] - [ 0.0146332200000000, 0.0072756400000000, 0.0146579900000000 ] - [ -0.0004580200000000, -0.0010649100000000, -0.0000294400000000 ] - [ -0.0002205200000000, 0.0020975700000000, 0.0004288800000000 ] - [ 0.0005113200000000, 0.0014401200000000, 0.0004298400000000 ] - [ -0.0000206500000000, 0.0012439600000000, -0.0000166000000000 ] - [ -0.0006593600000000, 0.0004336000000000, -0.0000839100000000 ] - [ -0.0006921600000000, -0.0003258600000000, -0.0004114800000000 ] - [ 0.0017556100000000, 0.0003252400000000, 0.0017308000000000 ] - [ -0.0039981000000000, 0.0124065600000000, -0.0218002100000000 ] - [ 0.0007840100000000, -0.0006259100000000, 0.0002679800000000 ] - [ -0.0004307600000000, 0.0022940200000000, -0.0003051100000000 ] - [ -0.0001377100000000, 0.0012198600000000, -0.0004489400000000 ] - [ -0.1837673900000000, -0.6417865800000000, 0.0618871400000000 ] - [ -0.0005311200000000, -0.0023126100000000, 0.0027398900000000 ] - [ 0.0014936800000000, 0.0048613500000000, -0.0003322800000000 ] - [ 0.0008340600000000, 0.0030068900000000, 0.0005834400000000 ] - [ 0.0039861400000000, 0.0057132800000000, -0.0006419800000000 ] - [ -0.0040126400000000, -0.0048300600000000, -0.0016743100000000 ] - [ 0.0000973800000000, 0.0011251100000000, -0.0023682600000000 ] - [ 0.0036554700000000, 0.0049847800000000, 0.0003303800000000 ] - [ 0.0034987000000000, 0.0004176900000000, 0.0057963200000000 ] - [ -0.0013211500000000, 0.0026154600000000, -0.0019526900000000 ] - [ -0.0030136400000000, 0.0003858300000000, -0.0074751600000000 ] - [ 0.0002752700000000, 0.0026076200000000, 0.0008157400000000 ] - [ 0.0025167500000000, -0.0114838400000000, -0.0029235400000000 ] - [ 0.0018582600000000, -0.0030279300000000, 0.0032130900000000 ] - [ -0.0020617400000000, 0.0034749800000000, 0.0011181100000000 ] - [ -0.0010994200000000, 0.0018139100000000, 0.0014799500000000 ] - [ 0.0063960600000000, 0.0950771200000000, -0.0007770400000000 ] - [ -0.0009044700000000, 0.0023836800000000, -0.0001085500000000 ] - [ -0.0002867400000000, -0.0011073400000000, 0.0009152400000000 ] - [ -0.0003842500000000, -0.0004721100000000, 0.0004879900000000 ] - [ -0.0034410800000000, -0.0020552300000000, 0.0000275900000000 ] - [ 0.0009109900000000, 0.0005181700000000, 0.0001800400000000 ] - [ 0.0009658800000000, -0.0018933500000000, 0.0002131800000000 ] - [ -0.0014245800000000, -0.0022356100000000, -0.0021313000000000 ] - [ 0.0294680700000000, 0.2475943900000000, -0.1201361900000000 ] - [ 0.0002010800000000, 0.0019732100000000, -0.0014096200000000 ] - [ -0.0001530700000000, -0.0038989400000000, 0.0009239500000000 ] - [ -0.0003588600000000, -0.0020666000000000, 0.0001673100000000 ] - [ 0.0014383700000000, 0.0048152200000000, 0.0018258300000000 ] - [ -0.0022378200000000, 0.0004578900000000, -0.0018833000000000 ] - [ 0.0001559500000000, -0.0025537900000000, 0.0008118100000000 ] - [ 0.0000484100000000, -0.0018582200000000, 0.0003892900000000 ] - [ -0.0027862200000000, -0.0029850000000000, -0.0060725000000000 ] - [ 0.0010091100000000, 0.0002413800000000, 0.0006370500000000 ] - [ 0.0033626500000000, -0.0026607300000000, 0.0047768500000000 ] - [ -0.0009053900000000, -0.0000338000000000, -0.0018736800000000 ] - [ -0.0035245900000000, 0.0072733200000000, 0.0029199300000000 ] - [ -0.0018859800000000, 0.0022700500000000, -0.0020196800000000 ] - [ 0.0006826400000000, -0.0032763900000000, -0.0003532700000000 ] - [ -0.0001097200000000, -0.0022040300000000, -0.0007421000000000 ] - [ 0.1379892200000000, 0.2836011400000000, 0.0660206300000000 ] - [ -0.0003402400000000, 0.0021335000000000, -0.0009475500000000 ] - [ -0.0012534000000000, -0.0029611900000000, -0.0011961900000000 ] - [ -0.0013161000000000, -0.0014185900000000, -0.0011075800000000 ] - [ -0.0025025900000000, 0.0046150800000000, 0.0070035800000000 ] - [ -0.0004674300000000, 0.0012103000000000, -0.0008163900000000 ] - [ 0.0007958200000000, -0.0025193300000000, -0.0011110900000000 ] - [ 0.0004166800000000, -0.0012995300000000, -0.0011097200000000 ] - [ -0.0079814500000000, -0.0010609000000000, 0.0009625200000000 ] - [ 0.0012652000000000, 0.0043205700000000, -0.0003005200000000 ] - [ -0.0001445900000000, -0.0014178700000000, 0.0010055800000000 ] - [ -0.0011824400000000, -0.0030542600000000, 0.0011972200000000 ] - [ -0.0013676700000000, -0.0042809700000000, -0.0003831700000000 ] - [ 0.0047417900000000, 0.0005880800000000, 0.0014483500000000 ] - [ 0.0005287000000000, -0.0010183600000000, 0.0010789000000000 ] - [ -0.0026982500000000, -0.0050761200000000, -0.0003030800000000 ] - [ -0.0007881600000000, -0.0026576200000000, -0.0022532300000000 ] - [ 0.0004897100000000, -0.0016114700000000, 0.0008616900000000 ] - [ 0.0008410300000000, 0.0018536700000000, 0.0024423900000000 ] - [ -0.0008176900000000, -0.0015365000000000, -0.0018235400000000 ] - [ -0.0007509000000000, 0.0021802900000000, -0.0015616100000000 ] - [ 0.0023143300000000, -0.0004705200000000, 0.0024836500000000 ] - [ 0.0023087000000000, -0.0016141700000000, 0.0030159700000000 ] - [ 0.0002501400000000, -0.0009611900000000, 0.0001562600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043120200000000, -0.0007414400000000, -0.0032287500000000 ] - [ -0.0005200800000000, 0.0003450400000000, -0.0007287400000000 ] - [ 0.0001864100000000, -0.0025403000000000, 0.0007703500000000 ] - [ 0.0002817300000000, -0.0010697400000000, -0.0001076200000000 ] - [ 0.0016420500000000, 0.0022538400000000, 0.0000655000000000 ] - [ -0.0075325500000000, 0.0007695400000000, 0.0016629300000000 ] - [ -0.0006701600000000, -0.0020488700000000, -0.0002693300000000 ] - [ -0.0000261300000000, -0.0018477100000000, 0.0001386200000000 ] - [ -0.0007528700000000, 0.0021140900000000, 0.0001563300000000 ] - [ 0.0023678100000000, 0.0084763200000000, -0.0004613000000000 ] - [ -0.0004078800000000, -0.0012806300000000, -0.0001186000000000 ] - [ -0.0001210200000000, -0.0014501400000000, -0.0001485200000000 ] - [ 0.0010342300000000, -0.0073386800000000, 0.0026077600000000 ] - [ -0.0003706700000000, 0.0000755200000000, -0.0001846900000000 ] - [ 0.0018731100000000, -0.0071146300000000, -0.0035181900000000 ] - [ 0.0000090200000000, 0.0003215300000000, 0.0001662300000000 ] - [ -0.0105513800000000, 0.0058236000000000, 0.0090967800000000 ] - [ 0.0000070900000000, 0.0014185600000000, -0.0001408400000000 ] - [ 0.0000796800000000, -0.0018727500000000, -0.0005079200000000 ] - [ -0.0004217800000000, -0.0015238500000000, -0.0005517500000000 ] - [ -0.0149145500000000, -0.0066530100000000, -0.0143120900000000 ] - [ 0.0003725200000000, 0.0016673800000000, 0.0005197500000000 ] - [ 0.0001299500000000, -0.0014925700000000, 0.0000643200000000 ] - [ -0.0005967400000000, -0.0008430900000000, 0.0000613800000000 ] - [ -0.0000643400000000, -0.0018304300000000, 0.0005109400000000 ] - [ 0.0005758800000000, -0.0010234800000000, 0.0005766700000000 ] - [ 0.0006047100000000, -0.0002766400000000, 0.0009038300000000 ] - [ -0.0018394300000000, -0.0009278800000000, -0.0012369100000000 ] - [ 0.0040572800000000, -0.0117426300000000, 0.0209916200000000 ] - [ -0.0006931800000000, 0.0012140100000000, -0.0007611400000000 ] - [ 0.0005211800000000, -0.0017058800000000, -0.0001948800000000 ] - [ 0.0002208500000000, -0.0006289700000000, -0.0000427300000000 ] - [ 0.1733518100000000, 0.6417398400000000, -0.0795669500000000 ] - [ -0.0001350400000000, 0.0030963200000000, -0.0010028400000000 ] - [ -0.0021656300000000, -0.0040783900000000, 0.0020565500000000 ] - [ -0.0015056000000000, -0.0022281500000000, 0.0011459400000000 ] - [ -0.0033165300000000, -0.0064910600000000, -0.0010614600000000 ] - [ 0.0047078500000000, 0.0040827400000000, -0.0000519800000000 ] - [ 0.0005639400000000, -0.0019144600000000, 0.0006334200000000 ] - [ -0.0029797100000000, -0.0057583600000000, -0.0020529900000000 ] - [ -0.0028724200000000, 0.0003938300000000, -0.0075918800000000 ] - [ 0.0019923800000000, -0.0018273700000000, 0.0002305500000000 ] - [ 0.0036630900000000, 0.0003629000000000, 0.0056714600000000 ] - [ 0.0004030000000000, -0.0018346800000000, -0.0025337700000000 ] - [ -0.0031893700000000, 0.0106428700000000, 0.0046411700000000 ] - [ -0.0025186900000000, 0.0022284500000000, -0.0014797700000000 ] - [ 0.0013886900000000, -0.0042531600000000, 0.0006112600000000 ] - [ 0.0004264300000000, -0.0025890800000000, 0.0002509000000000 ] - [ -0.0059979600000000, -0.0935631800000000, 0.0030508300000000 ] - [ 0.0007587000000000, -0.0008928700000000, 0.0012558800000000 ] - [ 0.0001475700000000, 0.0026067300000000, 0.0002391300000000 ] - [ 0.0002375700000000, 0.0019609000000000, 0.0006647400000000 ] - [ 0.0035786900000000, 0.0005512200000000, -0.0011918700000000 ] - [ -0.0007797200000000, -0.0020325500000000, -0.0013359200000000 ] - [ -0.0008127200000000, 0.0004060100000000, -0.0013618600000000 ] - [ 0.0015617700000000, 0.0007366900000000, 0.0009729900000000 ] - [ -0.0323126400000000, -0.2622845900000000, 0.1318770100000000 ] - [ 0.0002093400000000, -0.0024909600000000, 0.0006074000000000 ] - [ 0.0005663600000000, 0.0033802600000000, -0.0017125200000000 ] - [ 0.0007729900000000, 0.0015522600000000, -0.0009621500000000 ] - [ -0.0015750700000000, -0.0062921000000000, -0.0006626200000000 ] - [ 0.0020899600000000, -0.0019497900000000, 0.0030290000000000 ] - [ -0.0002911800000000, 0.0010446800000000, 0.0003404200000000 ] - [ -0.0001956300000000, 0.0003671200000000, 0.0007636400000000 ] - [ 0.0029690800000000, 0.0045080800000000, 0.0049826400000000 ] - [ -0.0008735100000000, 0.0012611700000000, -0.0017940500000000 ] - [ -0.0031786300000000, 0.0041343900000000, -0.0058631100000000 ] - [ 0.0010399300000000, 0.0015417400000000, 0.0007098600000000 ] - [ 0.0026074300000000, -0.0082263000000000, -0.0045603500000000 ] - [ 0.0009408100000000, -0.0032374300000000, 0.0003931000000000 ] - [ -0.0016118800000000, 0.0022989300000000, -0.0012728800000000 ] - [ -0.0008167500000000, 0.0012298900000000, -0.0008784300000000 ] - [ -0.1262826900000000, -0.2677266400000000, -0.0616196100000000 ] - [ -0.0005977200000000, -0.0011585400000000, -0.0006803100000000 ] - [ 0.0003219600000000, 0.0039357400000000, -0.0004254000000000 ] - [ 0.0003887500000000, 0.0023916400000000, -0.0005131200000000 ] - [ 0.0029073800000000, -0.0040670100000000, -0.0077571500000000 ] - [ 0.0008755800000000, -0.0006851200000000, 0.0000261800000000 ] - [ -0.0003810400000000, 0.0030269600000000, 0.0003206500000000 ] - [ -0.0000010000000000, 0.0018093500000000, 0.0003130000000000 ] - [ 0.0075938200000000, 0.0015574600000000, -0.0001660100000000 ] - [ -0.0016783900000000, -0.0038300100000000, 0.0010995800000000 ] - [ -0.0002646700000000, 0.0019333800000000, -0.0002099800000000 ] - [ 0.0007679200000000, 0.0035660500000000, -0.0004098500000000 ] - [ 0.0022897800000000, 0.0032934000000000, 0.0019977200000000 ] - [ -0.0038372200000000, -0.0015720600000000, 0.0001731400000000 ] - [ 0.0004044500000000, 0.0000567800000000, 0.0005471600000000 ] - [ 0.0036131400000000, 0.0041033200000000, 0.0019218600000000 ] - [ 0.0003792600000000, 0.0021443500000000, 0.0030704500000000 ] - [ -0.0009048500000000, 0.0010961300000000, -0.0000762000000000 ] - [ -0.0012502400000000, -0.0023291000000000, -0.0016246700000000 ] - [ 0.0003950100000000, 0.0010273900000000, 0.0026106000000000 ] - [ 0.0016938500000000, -0.0012465500000000, 0.0032032500000000 ] - [ -0.0013804800000000, 0.0014395200000000, -0.0008607500000000 ] - [ -0.0013675600000000, 0.0025855000000000, -0.0013720500000000 ] - [ 0.0006735300000000, 0.0019394000000000, 0.0014620600000000 ]- atom: 33 displacement: [ -0.0049044182890843, 0.0000000000000000, 0.0087147393102545 ] forces: - [ -0.0024070200000000, 0.0037872600000000, -0.0006409400000000 ] - [ 0.0010340200000000, 0.0003519400000000, 0.0000567700000000 ] - [ -0.0001707100000000, -0.0008427300000000, -0.0000609800000000 ] - [ 0.0007515900000000, -0.0007831800000000, 0.0001740300000000 ] - [ 0.0022117600000000, -0.0007610200000000, -0.0025441600000000 ] - [ -0.0021675900000000, -0.0005963500000000, -0.0003634800000000 ] - [ -0.0003642400000000, -0.0008090600000000, -0.0002202800000000 ] - [ -0.0002158200000000, -0.0009677300000000, -0.0000985000000000 ] - [ 0.0008431200000000, 0.0012636300000000, 0.0057594300000000 ] - [ 0.0043992400000000, 0.0028566000000000, 0.0059282000000000 ] - [ -0.0003289200000000, -0.0003332600000000, 0.0000157500000000 ] - [ -0.0002299000000000, -0.0003092100000000, -0.0000720200000000 ] - [ 0.0000856300000000, -0.0046660100000000, 0.0015872500000000 ] - [ 0.0005430300000000, 0.0004258200000000, 0.0004524800000000 ] - [ 0.0000374800000000, 0.0007861900000000, -0.0003243500000000 ] - [ 0.0007645900000000, 0.0000489500000000, 0.0006841900000000 ] - [ -0.0128769900000000, -0.0018464600000000, 0.0097372400000000 ] - [ 0.0009781100000000, 0.0005165700000000, 0.0003197000000000 ] - [ -0.0001703200000000, -0.0009218400000000, -0.0004278300000000 ] - [ 0.0001199400000000, -0.0006612400000000, -0.0002299700000000 ] - [ -0.0013775600000000, 0.0067642900000000, -0.0126228500000000 ] - [ 0.0005259900000000, 0.0007987300000000, 0.0005957000000000 ] - [ -0.0001456700000000, -0.0007351500000000, -0.0001575600000000 ] - [ -0.0000430600000000, 0.0000559400000000, 0.0002676900000000 ] - [ -0.0004467200000000, -0.0006005800000000, 0.0005043000000000 ] - [ 0.0005144900000000, -0.0008590000000000, 0.0006040900000000 ] - [ -0.0009637100000000, -0.0002728000000000, 0.0008915100000000 ] - [ 0.0000699000000000, -0.0003238500000000, 0.0002681900000000 ] - [ -0.0034006500000000, -0.0162058200000000, 0.0044956200000000 ] - [ 0.0005709300000000, 0.0005490100000000, -0.0000976600000000 ] - [ -0.0001124300000000, -0.0001765700000000, -0.0005467800000000 ] - [ 0.0003633200000000, -0.0001455300000000, -0.0000359900000000 ] - [ 0.0888470000000000, 0.1544105500000000, -0.4429635500000000 ] - [ 0.0012641000000000, 0.0021167500000000, 0.0023979300000000 ] - [ -0.0015648300000000, -0.0015456700000000, 0.0005745400000000 ] - [ -0.0004726700000000, -0.0004307700000000, 0.0013735500000000 ] - [ -0.0017709100000000, -0.0020142500000000, -0.0017561300000000 ] - [ 0.0029507300000000, 0.0010402400000000, 0.0005646000000000 ] - [ -0.0002293700000000, -0.0015811400000000, -0.0008426300000000 ] - [ 0.0002143300000000, -0.0009834000000000, -0.0005936000000000 ] - [ -0.0032397000000000, 0.0044772400000000, -0.0044071600000000 ] - [ 0.0017885600000000, -0.0011048300000000, 0.0003068200000000 ] - [ 0.0023991200000000, -0.0038750500000000, -0.0012258200000000 ] - [ 0.0003567400000000, 0.0005312900000000, -0.0004939300000000 ] - [ -0.0022928600000000, 0.0043353300000000, 0.0067871700000000 ] - [ 0.0012414200000000, -0.0013654900000000, 0.0029667300000000 ] - [ -0.0000566600000000, -0.0014583400000000, 0.0007777400000000 ] - [ 0.0002855100000000, -0.0012994800000000, 0.0011676400000000 ] - [ 0.0145530500000000, -0.0041244200000000, 0.1877881000000000 ] - [ -0.0011520600000000, 0.0001279400000000, -0.0010410600000000 ] - [ 0.0004222600000000, 0.0014853200000000, 0.0010430400000000 ] - [ -0.0002241700000000, 0.0011685600000000, 0.0002852500000000 ] - [ 0.0031434600000000, -0.0006521700000000, -0.0011432300000000 ] - [ -0.0010196000000000, -0.0011434500000000, -0.0015585300000000 ] - [ 0.0004196600000000, -0.0002902700000000, -0.0005329900000000 ] - [ -0.0001136400000000, -0.0004603200000000, -0.0007649600000000 ] - [ -0.0559179900000000, -0.1302436500000000, 0.1712445900000000 ] - [ -0.0005561300000000, -0.0011498100000000, -0.0010233100000000 ] - [ 0.0006254000000000, 0.0010101100000000, -0.0005847600000000 ] - [ 0.0001882300000000, 0.0004449700000000, -0.0007942400000000 ] - [ 0.0024709500000000, -0.0031914000000000, -0.0021581500000000 ] - [ -0.0013630400000000, -0.0009756400000000, -0.0009742200000000 ] - [ 0.0001925300000000, -0.0001105800000000, 0.0005274000000000 ] - [ -0.0004297300000000, -0.0002782600000000, 0.0002471700000000 ] - [ 0.0022845400000000, 0.0010006500000000, 0.0041210500000000 ] - [ -0.0009658400000000, 0.0010391900000000, -0.0016931400000000 ] - [ 0.0000463000000000, 0.0034302100000000, -0.0005056500000000 ] - [ -0.0001373900000000, 0.0007566600000000, -0.0007831700000000 ] - [ 0.0035633400000000, -0.0025163100000000, -0.0052419200000000 ] - [ -0.0026027700000000, -0.0002015500000000, -0.0018182200000000 ] - [ -0.0005926100000000, 0.0002402200000000, -0.0008668700000000 ] - [ -0.0008910500000000, 0.0003110100000000, -0.0010418000000000 ] - [ -0.0414449800000000, -0.0096228800000000, 0.0762616200000000 ] - [ -0.0019407100000000, -0.0007395400000000, -0.0016874000000000 ] - [ 0.0001009500000000, 0.0022178700000000, -0.0002311800000000 ] - [ -0.0003879800000000, 0.0010168600000000, -0.0009034800000000 ] - [ 0.0026732600000000, -0.0019700800000000, -0.0037865000000000 ] - [ -0.0005342000000000, 0.0002941800000000, -0.0010757200000000 ] - [ 0.0003655300000000, 0.0009161400000000, -0.0002641800000000 ] - [ -0.0001840300000000, 0.0007354800000000, -0.0003473600000000 ] - [ 0.0032980000000000, -0.0005136900000000, 0.0026367800000000 ] - [ -0.0015461400000000, -0.0004147000000000, 0.0008755500000000 ] - [ -0.0001533000000000, 0.0011982000000000, 0.0002806400000000 ] - [ -0.0001496500000000, 0.0007958300000000, 0.0001987000000000 ] - [ 0.0009216900000000, 0.0004728100000000, 0.0013862400000000 ] - [ -0.0020799700000000, -0.0006280300000000, 0.0007281900000000 ] - [ 0.0007121000000000, 0.0004874900000000, 0.0010304300000000 ] - [ 0.0007375700000000, -0.0003025600000000, 0.0007046700000000 ] - [ 0.0008863000000000, -0.0007866600000000, 0.0011470900000000 ] - [ -0.0007864500000000, 0.0005740400000000, -0.0001005300000000 ] - [ -0.0004675300000000, 0.0035728800000000, -0.0008458700000000 ] - [ -0.0003167400000000, -0.0008403600000000, 0.0003929800000000 ] - [ 0.0008650900000000, -0.0040622400000000, 0.0018633400000000 ] - [ -0.0000855000000000, 0.0017670500000000, -0.0007860400000000 ] - [ -0.0011875900000000, 0.0029077500000000, 0.0004573000000000 ] - [ 0.0006482500000000, 0.0006066600000000, 0.0008016900000000 ]- atom: 33 displacement: [ 0.0049044182890843, 0.0000000000000000, -0.0087147393102545 ] forces: - [ 0.0030153200000000, -0.0044833200000000, 0.0008147600000000 ] - [ -0.0004583300000000, -0.0009904800000000, 0.0001011600000000 ] - [ 0.0007482900000000, 0.0002080600000000, 0.0002316300000000 ] - [ -0.0001744900000000, 0.0001411700000000, -0.0000113200000000 ] - [ -0.0027869400000000, 0.0001251500000000, 0.0023611500000000 ] - [ 0.0016042400000000, -0.0000398600000000, 0.0002329600000000 ] - [ -0.0002124000000000, 0.0001650700000000, 0.0000555200000000 ] - [ -0.0003622000000000, 0.0003273100000000, -0.0000636500000000 ] - [ -0.0014569800000000, -0.0006211600000000, -0.0059344600000000 ] - [ -0.0049144000000000, -0.0022160200000000, -0.0060824700000000 ] - [ -0.0002490400000000, 0.0009729900000000, -0.0001791500000000 ] - [ -0.0003476600000000, 0.0009502200000000, -0.0000929200000000 ] - [ 0.0005022300000000, 0.0052875300000000, -0.0014220300000000 ] - [ 0.0000292600000000, 0.0002146500000000, -0.0002889000000000 ] - [ 0.0005508700000000, -0.0001399600000000, 0.0004691600000000 ] - [ -0.0001898600000000, 0.0005920800000000, -0.0005200500000000 ] - [ 0.0127788700000000, 0.0012031200000000, -0.0101417100000000 ] - [ -0.0008953100000000, -0.0011118400000000, -0.0008050500000000 ] - [ 0.0002615900000000, 0.0003239600000000, -0.0000643200000000 ] - [ -0.0000324000000000, 0.0000586400000000, -0.0002637300000000 ] - [ 0.0012909400000000, -0.0061460400000000, 0.0131073200000000 ] - [ -0.0006140900000000, -0.0002047000000000, -0.0001070700000000 ] - [ 0.0000597400000000, 0.0013349800000000, 0.0006503200000000 ] - [ -0.0000465400000000, 0.0005440700000000, 0.0002254600000000 ] - [ 0.0003609300000000, -0.0000015700000000, -0.0000053600000000 ] - [ -0.0006091800000000, 0.0002667100000000, -0.0001135200000000 ] - [ 0.0008610200000000, -0.0002980300000000, -0.0004043200000000 ] - [ -0.0001628500000000, -0.0002748300000000, 0.0002205900000000 ] - [ 0.0034176600000000, 0.0169478900000000, -0.0049283600000000 ] - [ -0.0004806900000000, 0.0000452800000000, -0.0004011000000000 ] - [ 0.0002020000000000, 0.0007677400000000, 0.0000542200000000 ] - [ -0.0002731300000000, 0.0007415500000000, -0.0004590400000000 ] - [ -0.0832514700000000, -0.1438224500000000, 0.4474912800000000 ] - [ -0.0019365100000000, -0.0013371600000000, -0.0006681800000000 ] - [ 0.0008955900000000, 0.0023279100000000, 0.0011566900000000 ] - [ -0.0002027400000000, 0.0012055300000000, 0.0003524000000000 ] - [ 0.0024188800000000, 0.0012027500000000, 0.0000165200000000 ] - [ -0.0022902900000000, -0.0018218700000000, -0.0023050200000000 ] - [ 0.0009015800000000, 0.0008060100000000, -0.0008912000000000 ] - [ 0.0004527400000000, 0.0001939300000000, -0.0011369600000000 ] - [ 0.0039119900000000, -0.0037055400000000, 0.0026809900000000 ] - [ -0.0011125400000000, 0.0018762400000000, -0.0020372600000000 ] - [ -0.0017209600000000, 0.0046661400000000, -0.0004805500000000 ] - [ 0.0003170400000000, 0.0002521200000000, -0.0012280500000000 ] - [ 0.0016095500000000, -0.0050526400000000, -0.0050463100000000 ] - [ -0.0019112700000000, 0.0005793800000000, -0.0012430500000000 ] - [ -0.0006135800000000, 0.0006754200000000, 0.0009474500000000 ] - [ -0.0009589500000000, 0.0005188400000000, 0.0005567200000000 ] - [ -0.0198093000000000, 0.0058957800000000, -0.1936515800000000 ] - [ 0.0010071600000000, 0.0013634500000000, 0.0021943300000000 ] - [ -0.0005639100000000, 0.0000153200000000, 0.0001068000000000 ] - [ 0.0000781300000000, 0.0003168900000000, 0.0008704600000000 ] - [ -0.0029813900000000, -0.0008173000000000, 0.0000060800000000 ] - [ 0.0011598700000000, -0.0003598200000000, 0.0004107000000000 ] - [ -0.0002743700000000, -0.0012048500000000, -0.0006181300000000 ] - [ 0.0002587600000000, -0.0010336200000000, -0.0003828000000000 ] - [ 0.0563328500000000, 0.1210641600000000, -0.1674803000000000 ] - [ 0.0009718600000000, 0.0006384300000000, 0.0002241700000000 ] - [ -0.0002180700000000, -0.0015181400000000, -0.0002065200000000 ] - [ 0.0002252600000000, -0.0009569600000000, -0.0000037100000000 ] - [ -0.0025811500000000, 0.0016626500000000, 0.0032990200000000 ] - [ 0.0012246400000000, -0.0005222400000000, 0.0021270100000000 ] - [ -0.0003325600000000, -0.0013953200000000, 0.0006255600000000 ] - [ 0.0002852900000000, -0.0012105600000000, 0.0009097700000000 ] - [ -0.0021429600000000, 0.0004927400000000, -0.0052725500000000 ] - [ 0.0011028600000000, 0.0004710600000000, 0.0005376600000000 ] - [ 0.0000955300000000, -0.0019254100000000, -0.0006689300000000 ] - [ 0.0002750600000000, 0.0007486100000000, -0.0003732100000000 ] - [ -0.0044873500000000, 0.0015044700000000, 0.0035952000000000 ] - [ 0.0016681700000000, -0.0007717800000000, 0.0001948000000000 ] - [ -0.0003423000000000, -0.0012132900000000, -0.0007615900000000 ] - [ -0.0000372600000000, -0.0012821600000000, -0.0005782800000000 ] - [ 0.0394767000000000, 0.0091285100000000, -0.0783290900000000 ] - [ 0.0010091300000000, 0.0017115900000000, 0.0000639200000000 ] - [ -0.0010321200000000, -0.0012482600000000, -0.0013959900000000 ] - [ -0.0005386700000000, -0.0000400600000000, -0.0007161700000000 ] - [ -0.0022710800000000, 0.0024270500000000, 0.0029765900000000 ] - [ 0.0009442300000000, 0.0002198200000000, 0.0002881500000000 ] - [ 0.0000454600000000, -0.0004020200000000, -0.0005283800000000 ] - [ 0.0005979100000000, -0.0002216800000000, -0.0004459100000000 ] - [ -0.0036894800000000, 0.0010375800000000, -0.0018307100000000 ] - [ 0.0011487300000000, 0.0009179800000000, -0.0000870600000000 ] - [ -0.0002598200000000, -0.0006915000000000, 0.0005234100000000 ] - [ -0.0002574200000000, -0.0002800600000000, 0.0005881500000000 ] - [ 0.0000217200000000, -0.0014259300000000, 0.0002453600000000 ] - [ 0.0030224400000000, -0.0003466400000000, 0.0008970300000000 ] - [ 0.0002202500000000, -0.0014632800000000, 0.0005979900000000 ] - [ 0.0002019200000000, -0.0006577400000000, 0.0009160500000000 ] - [ -0.0012958600000000, 0.0002752900000000, -0.0003569100000000 ] - [ 0.0003739800000000, -0.0010783100000000, 0.0008983000000000 ] - [ 0.0000743200000000, -0.0040889700000000, 0.0016206300000000 ] - [ -0.0001054600000000, 0.0003245300000000, 0.0004061300000000 ] - [ 0.0000668800000000, 0.0050398600000000, -0.0002411100000000 ] - [ 0.0010112200000000, -0.0007831000000000, 0.0024156600000000 ] - [ 0.0021114600000000, -0.0019364700000000, 0.0011601000000000 ] - [ 0.0002832000000000, 0.0003647100000000, 0.0008287400000000 ]- atom: 49 displacement: [ 0.0099994969313681, 0.0000000000000000, 0.0001003051322676 ] forces: - [ 0.0001995800000000, 0.0014065700000000, 0.0007580700000000 ] - [ -0.0008753500000000, -0.0009414200000000, -0.0003849800000000 ] - [ 0.0006116200000000, -0.0009141300000000, 0.0003069200000000 ] - [ -0.0001144800000000, -0.0000777300000000, -0.0000898200000000 ] - [ -0.0019186100000000, 0.0015023200000000, 0.0011274500000000 ] - [ -0.0030053300000000, -0.0005856900000000, -0.0001230300000000 ] - [ -0.0003169000000000, -0.0006277800000000, -0.0000570700000000 ] - [ -0.0003180800000000, -0.0002759200000000, -0.0000773100000000 ] - [ 0.0009747400000000, 0.0004029300000000, -0.0000787500000000 ] - [ -0.0019122700000000, 0.0012022200000000, -0.0024060200000000 ] - [ -0.0002644800000000, 0.0002616200000000, -0.0001419900000000 ] - [ -0.0003197800000000, 0.0001354800000000, -0.0001109600000000 ] - [ 0.0006542800000000, 0.0012812200000000, 0.0001717600000000 ] - [ -0.0002167200000000, 0.0000615600000000, -0.0003112400000000 ] - [ 0.0013613600000000, -0.0019042800000000, -0.0001122000000000 ] - [ -0.0001828100000000, 0.0006753300000000, -0.0003426700000000 ] - [ 0.0033686800000000, -0.0001575300000000, 0.0014149100000000 ] - [ -0.0008104300000000, -0.0005254900000000, -0.0008311400000000 ] - [ 0.0002776900000000, -0.0003919600000000, -0.0001455100000000 ] - [ -0.0002013300000000, -0.0004577400000000, -0.0003922700000000 ] - [ 0.0082039400000000, 0.0025670900000000, 0.0002306100000000 ] - [ -0.0006987300000000, 0.0002839300000000, -0.0000631400000000 ] - [ 0.0001591900000000, 0.0004804400000000, 0.0005120700000000 ] - [ -0.0002933300000000, 0.0000751700000000, 0.0001195000000000 ] - [ 0.0003849000000000, -0.0005587900000000, 0.0004219000000000 ] - [ -0.0002891200000000, -0.0001379300000000, 0.0000732400000000 ] - [ 0.0011664600000000, -0.0004701600000000, 0.0006507700000000 ] - [ -0.0011221600000000, -0.0003866500000000, -0.0003991000000000 ] - [ 0.0094976300000000, 0.0046396800000000, 0.0015879600000000 ] - [ -0.0008866100000000, 0.0005911400000000, -0.0006352500000000 ] - [ 0.0004604900000000, 0.0000757900000000, -0.0000353200000000 ] - [ -0.0001945200000000, 0.0003089100000000, -0.0003568000000000 ] - [ 0.1271203000000000, 0.0065970600000000, 0.0963868600000000 ] - [ -0.0018127000000000, -0.0004418800000000, -0.0012201800000000 ] - [ -0.0000987300000000, 0.0001716500000000, 0.0015708900000000 ] - [ -0.0007010600000000, 0.0000766800000000, 0.0004831200000000 ] - [ 0.0012990200000000, -0.0038786400000000, 0.0031738900000000 ] - [ -0.0000634600000000, 0.0004617500000000, -0.0023492900000000 ] - [ 0.0013978200000000, 0.0005024500000000, 0.0001344300000000 ] - [ -0.0008472000000000, -0.0018987000000000, -0.0017456200000000 ] - [ 0.0029279900000000, -0.0029275800000000, 0.0005658400000000 ] - [ -0.0005662900000000, 0.0013736800000000, -0.0016086600000000 ] - [ 0.0000950300000000, 0.0033244900000000, 0.0015958500000000 ] - [ 0.0001244200000000, -0.0005616400000000, -0.0021825300000000 ] - [ 0.0026678400000000, -0.0019065900000000, 0.0054108900000000 ] - [ -0.0027613300000000, 0.0017923700000000, -0.0019973800000000 ] - [ 0.0000415400000000, -0.0006176700000000, 0.0013771100000000 ] - [ -0.0005699800000000, -0.0005110000000000, 0.0003190500000000 ] - [ -0.1378692000000000, -0.0407438300000000, -0.1653999800000000 ] - [ 0.0012591700000000, 0.0007457400000000, 0.0021993200000000 ] - [ -0.0004061000000000, 0.0008611900000000, 0.0000794900000000 ] - [ 0.0002175300000000, 0.0008442500000000, 0.0008994400000000 ] - [ -0.0017652100000000, -0.0003008200000000, -0.0030793800000000 ] - [ 0.0008176800000000, -0.0009200900000000, 0.0004465300000000 ] - [ -0.0008867200000000, -0.0006506700000000, -0.0013284900000000 ] - [ 0.0008438500000000, -0.0004972400000000, 0.0002444600000000 ] - [ -0.0234676200000000, -0.0082565400000000, 0.0153288800000000 ] - [ 0.0009649300000000, -0.0001134300000000, 0.0004377000000000 ] - [ 0.0000050700000000, 0.0001895300000000, -0.0008061100000000 ] - [ 0.0004480800000000, -0.0001753600000000, -0.0002660000000000 ] - [ -0.0030320000000000, -0.0008909000000000, -0.0025524900000000 ] - [ 0.0019601100000000, -0.0011659800000000, 0.0030630800000000 ] - [ -0.0004333900000000, -0.0006261200000000, 0.0001789500000000 ] - [ 0.0002074400000000, -0.0006947500000000, 0.0009704200000000 ] - [ -0.0018244700000000, 0.0015696600000000, -0.0018704100000000 ] - [ 0.0007551500000000, 0.0006435800000000, 0.0000864900000000 ] - [ -0.0018254600000000, -0.0000175200000000, -0.0019507200000000 ] - [ 0.0007543400000000, 0.0009774300000000, 0.0004059500000000 ] - [ -0.0014524100000000, 0.0012123000000000, -0.0022100400000000 ] - [ 0.0021527900000000, -0.0019340900000000, 0.0008928400000000 ] - [ -0.0007127300000000, -0.0001945200000000, -0.0010352400000000 ] - [ -0.0002610300000000, -0.0004952800000000, -0.0006250500000000 ] - [ 0.0140293300000000, 0.0320795300000000, 0.0527486700000000 ] - [ 0.0011713600000000, 0.0010397100000000, -0.0000960900000000 ] - [ -0.0006361600000000, 0.0004942200000000, -0.0010529300000000 ] - [ -0.0001815500000000, 0.0008015200000000, -0.0006008300000000 ] - [ 0.0003209100000000, 0.0011894000000000, -0.0028375100000000 ] - [ 0.0013397100000000, -0.0003931500000000, 0.0005287900000000 ] - [ -0.0001558800000000, 0.0001500500000000, -0.0006193500000000 ] - [ 0.0004657300000000, 0.0005148600000000, -0.0001287200000000 ] - [ 0.0012005400000000, 0.0041498700000000, -0.0041899000000000 ] - [ 0.0005838200000000, -0.0007428300000000, 0.0011345300000000 ] - [ -0.0004014600000000, -0.0000166700000000, 0.0002076800000000 ] - [ 0.0001275500000000, 0.0010153400000000, 0.0003579700000000 ] - [ 0.0007707600000000, 0.0010601200000000, 0.0001737900000000 ] - [ 0.0007247300000000, -0.0008237300000000, 0.0011995800000000 ] - [ 0.0001057700000000, -0.0016720100000000, 0.0001750600000000 ] - [ 0.0015745200000000, 0.0009900700000000, 0.0012967100000000 ] - [ -0.0009676300000000, 0.0013130000000000, 0.0006682100000000 ] - [ 0.0000330500000000, -0.0006373000000000, 0.0004822600000000 ] - [ -0.0013295800000000, -0.0041154700000000, 0.0009320500000000 ] - [ 0.0003711100000000, 0.0007571900000000, 0.0015125400000000 ] - [ 0.0000020000000000, 0.0044137400000000, 0.0010429900000000 ] - [ 0.0010943300000000, -0.0004824500000000, 0.0012893700000000 ] - [ 0.0010705600000000, -0.0004323000000000, 0.0002639800000000 ] - [ 0.0006039400000000, 0.0008860700000000, 0.0012065800000000 ]- atom: 49 displacement: [ -0.0099994969313681, 0.0000000000000000, -0.0001003051322676 ] forces: - [ 0.0003868800000000, -0.0020558800000000, -0.0006056800000000 ] - [ 0.0014606600000000, 0.0003058600000000, 0.0005533700000000 ] - [ -0.0000334000000000, 0.0002740800000000, -0.0001452600000000 ] - [ 0.0006934200000000, -0.0005663700000000, 0.0002554700000000 ] - [ 0.0012530700000000, -0.0021074100000000, -0.0012651300000000 ] - [ 0.0024344600000000, -0.0000547700000000, -0.0000449100000000 ] - [ -0.0002616800000000, -0.0000128500000000, -0.0001058200000000 ] - [ -0.0002592000000000, -0.0003674400000000, -0.0000865300000000 ] - [ -0.0015511200000000, 0.0002314900000000, -0.0001207000000000 ] - [ 0.0013447700000000, -0.0005532100000000, 0.0022636500000000 ] - [ -0.0003128800000000, 0.0003787500000000, -0.0000225200000000 ] - [ -0.0002583900000000, 0.0005035900000000, -0.0000518900000000 ] - [ -0.0000798400000000, -0.0006618000000000, -0.0000044000000000 ] - [ 0.0007979700000000, 0.0005810600000000, 0.0004759000000000 ] - [ -0.0007894600000000, 0.0025505400000000, 0.0002792000000000 ] - [ 0.0007627700000000, -0.0000368100000000, 0.0005060400000000 ] - [ -0.0033233400000000, -0.0004280600000000, -0.0019108800000000 ] - [ 0.0009139000000000, -0.0000737900000000, 0.0003434800000000 ] - [ -0.0001894500000000, -0.0002094300000000, -0.0003475300000000 ] - [ 0.0002999500000000, -0.0001499200000000, -0.0001008100000000 ] - [ -0.0083988300000000, -0.0022421800000000, 0.0003232300000000 ] - [ 0.0006131300000000, 0.0003188000000000, 0.0005587600000000 ] - [ -0.0002557400000000, 0.0001244900000000, -0.0000193800000000 ] - [ 0.0002005800000000, 0.0005293300000000, 0.0003747900000000 ] - [ -0.0004762800000000, -0.0000343200000000, 0.0000707200000000 ] - [ 0.0001976000000000, -0.0004610500000000, 0.0004231300000000 ] - [ -0.0012591300000000, -0.0001246200000000, -0.0001620900000000 ] - [ 0.0010353600000000, -0.0002087800000000, 0.0008979200000000 ] - [ -0.0094199200000000, -0.0039556300000000, -0.0020961800000000 ] - [ 0.0009768400000000, 0.0000025600000000, 0.0001382700000000 ] - [ -0.0003745300000000, 0.0005167300000000, -0.0004628300000000 ] - [ 0.0002899200000000, 0.0002869800000000, -0.0001364600000000 ] - [ -0.1271066600000000, -0.0057540200000000, -0.0904451600000000 ] - [ 0.0011525800000000, 0.0012314000000000, 0.0029624000000000 ] - [ -0.0005782700000000, 0.0006035200000000, 0.0001542400000000 ] - [ 0.0000291300000000, 0.0007016300000000, 0.0012462000000000 ] - [ -0.0006371100000000, 0.0031242100000000, -0.0049295800000000 ] - [ 0.0007449000000000, -0.0012467800000000, 0.0006347300000000 ] - [ -0.0007322200000000, -0.0012915800000000, -0.0018635700000000 ] - [ 0.0015236400000000, 0.0011210000000000, 0.0000216600000000 ] - [ -0.0022685300000000, 0.0037204600000000, -0.0023057500000000 ] - [ 0.0012471800000000, -0.0005993500000000, -0.0001103200000000 ] - [ 0.0005734500000000, -0.0025394300000000, -0.0033237800000000 ] - [ 0.0005478300000000, 0.0013481000000000, 0.0004600300000000 ] - [ -0.0033410000000000, 0.0011305600000000, -0.0037065000000000 ] - [ 0.0021043400000000, -0.0025853800000000, 0.0037455800000000 ] - [ -0.0007149200000000, -0.0001675300000000, 0.0003468500000000 ] - [ -0.0001003600000000, -0.0002710500000000, 0.0014106700000000 ] - [ 0.1376914800000000, 0.0417322500000000, 0.1618639600000000 ] - [ -0.0014112400000000, 0.0007432300000000, -0.0010518700000000 ] - [ 0.0002684600000000, 0.0006382000000000, 0.0010838900000000 ] - [ -0.0003635700000000, 0.0006445500000000, 0.0002582800000000 ] - [ 0.0019273500000000, -0.0011997200000000, 0.0019403600000000 ] - [ -0.0006873300000000, -0.0005848100000000, -0.0016166100000000 ] - [ 0.0010294800000000, -0.0008422700000000, 0.0001692700000000 ] - [ -0.0007057300000000, -0.0010026600000000, -0.0014061500000000 ] - [ 0.0235899800000000, 0.0079117500000000, -0.0164898400000000 ] - [ -0.0005606000000000, -0.0004014000000000, -0.0012396700000000 ] - [ 0.0004054300000000, -0.0006937400000000, 0.0000146900000000 ] - [ -0.0000373400000000, -0.0003376600000000, -0.0005320100000000 ] - [ 0.0028941100000000, -0.0006073300000000, 0.0037409900000000 ] - [ -0.0021145500000000, -0.0003348200000000, -0.0019233200000000 ] - [ 0.0002995200000000, -0.0008818800000000, 0.0009818600000000 ] - [ -0.0003539600000000, -0.0007952700000000, 0.0001874800000000 ] - [ 0.0019788300000000, -0.0000716200000000, 0.0007288200000000 ] - [ -0.0006258300000000, 0.0008645200000000, -0.0012538200000000 ] - [ 0.0019753100000000, 0.0015129400000000, 0.0007929800000000 ] - [ -0.0006204300000000, 0.0005277000000000, -0.0015686500000000 ] - [ 0.0005436200000000, -0.0021880300000000, 0.0005758100000000 ] - [ -0.0030963100000000, 0.0009673300000000, -0.0025267500000000 ] - [ -0.0002182100000000, -0.0007813700000000, -0.0005924400000000 ] - [ -0.0006688000000000, -0.0004749800000000, -0.0009956500000000 ] - [ -0.0150812900000000, -0.0306014500000000, -0.0536030300000000 ] - [ -0.0021158500000000, -0.0000720600000000, -0.0015297700000000 ] - [ -0.0002904900000000, 0.0004845400000000, -0.0005643200000000 ] - [ -0.0007474500000000, 0.0001721600000000, -0.0010196900000000 ] - [ 0.0000923600000000, -0.0006752500000000, 0.0020501100000000 ] - [ -0.0009331800000000, 0.0009071000000000, -0.0013280400000000 ] - [ 0.0005715800000000, 0.0003607900000000, -0.0001712200000000 ] - [ -0.0000547400000000, -0.0000037800000000, -0.0006675900000000 ] - [ -0.0016340500000000, -0.0036860900000000, 0.0050263400000000 ] - [ -0.0010028200000000, 0.0012550200000000, -0.0003434200000000 ] - [ -0.0000065900000000, 0.0005299100000000, 0.0005905400000000 ] - [ -0.0005377500000000, -0.0005092900000000, 0.0004311400000000 ] - [ 0.0001519700000000, -0.0020520000000000, 0.0014498800000000 ] - [ 0.0002000500000000, -0.0001475700000000, 0.0004248900000000 ] - [ 0.0008260800000000, 0.0007074800000000, 0.0014558000000000 ] - [ -0.0006485200000000, -0.0019689700000000, 0.0003194100000000 ] - [ 0.0005556800000000, -0.0018286700000000, 0.0001270700000000 ] - [ -0.0004472100000000, 0.0001330700000000, 0.0003073100000000 ] - [ 0.0009328900000000, 0.0036034100000000, -0.0001370400000000 ] - [ -0.0007880200000000, -0.0012726200000000, -0.0007207700000000 ] - [ 0.0009306000000000, -0.0034595600000000, 0.0005791800000000 ] - [ -0.0001646500000000, 0.0014652900000000, 0.0003294500000000 ] - [ -0.0001396000000000, 0.0014011200000000, 0.0013578800000000 ] - [ 0.0003292900000000, 0.0000868400000000, 0.0004216500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027797500000000, -0.0007925500000000, -0.0001870100000000 ] - [ -0.0004027400000000, 0.0000578500000000, -0.0001672000000000 ] - [ -0.0000887500000000, -0.0012289100000000, 0.0001740600000000 ] - [ 0.0006115800000000, -0.0007541700000000, 0.0000967500000000 ] - [ 0.0008022600000000, 0.0012909800000000, -0.0003644100000000 ] - [ -0.0017295200000000, 0.0002811100000000, 0.0003657600000000 ] - [ -0.0005383200000000, -0.0012519600000000, -0.0000597000000000 ] - [ -0.0001746000000000, -0.0008727600000000, 0.0000368600000000 ] - [ -0.0006012600000000, 0.0024954500000000, -0.0000330600000000 ] - [ 0.0004355100000000, 0.0021607900000000, -0.0002468100000000 ] - [ -0.0003526900000000, -0.0007302200000000, -0.0000743700000000 ] - [ -0.0002241100000000, -0.0002758300000000, -0.0001077100000000 ] - [ 0.0007677400000000, -0.0013615200000000, 0.0007990500000000 ] - [ -0.0001250200000000, 0.0001765400000000, -0.0003547400000000 ] - [ 0.0004526400000000, -0.0010676100000000, -0.0009758400000000 ] - [ 0.0005620600000000, 0.0002615900000000, 0.0005261100000000 ] - [ -0.0020418500000000, 0.0017515400000000, 0.0008466700000000 ] - [ 0.0000241300000000, 0.0003742100000000, -0.0001689800000000 ] - [ -0.0000708000000000, -0.0010264100000000, -0.0004197100000000 ] - [ -0.0000397800000000, -0.0007931500000000, -0.0003192300000000 ] - [ 0.0035643800000000, 0.0146922100000000, -0.0032303900000000 ] - [ 0.0001422300000000, 0.0007711800000000, 0.0003671800000000 ] - [ -0.0000592600000000, -0.0008554800000000, -0.0001043600000000 ] - [ -0.0001795100000000, -0.0000882900000000, 0.0002128100000000 ] - [ 0.0002250600000000, -0.0009567300000000, 0.0000700800000000 ] - [ 0.0001030100000000, -0.0005136100000000, 0.0002932000000000 ] - [ -0.0004588500000000, -0.0003950900000000, 0.0009410500000000 ] - [ -0.0003910400000000, -0.0004563600000000, -0.0000525400000000 ] - [ 0.0033500800000000, 0.0130433500000000, 0.0013119300000000 ] - [ 0.0000648500000000, 0.0006133500000000, -0.0003602200000000 ] - [ 0.0004855600000000, -0.0008419100000000, -0.0000822300000000 ] - [ 0.0000663600000000, -0.0000653000000000, -0.0001778500000000 ] - [ 0.0060414800000000, 0.0947064100000000, -0.0018291500000000 ] - [ 0.0001752000000000, 0.0020344400000000, 0.0004484300000000 ] - [ -0.0011079300000000, -0.0014705800000000, 0.0012726400000000 ] - [ -0.0008411600000000, -0.0008295400000000, 0.0010706600000000 ] - [ -0.0007469300000000, -0.0016924000000000, -0.0013805700000000 ] - [ 0.0012982300000000, 0.0008825700000000, -0.0007680200000000 ] - [ 0.0000307000000000, -0.0015429800000000, -0.0005108100000000 ] - [ -0.0004611700000000, -0.0018697600000000, -0.0009826700000000 ] - [ 0.0004521800000000, -0.0029968700000000, -0.0038634300000000 ] - [ 0.0008583100000000, -0.0004024500000000, -0.0005716100000000 ] - [ 0.0027781600000000, -0.0033680800000000, 0.0002198900000000 ] - [ 0.0003914700000000, -0.0001151400000000, -0.0011534200000000 ] - [ -0.0025958000000000, 0.0051718400000000, 0.0023792800000000 ] - [ -0.0007881900000000, 0.0008069700000000, 0.0008771000000000 ] - [ 0.0004301700000000, -0.0021884200000000, 0.0005580100000000 ] - [ 0.0000235900000000, -0.0015039400000000, 0.0005314000000000 ] - [ -0.0412250500000000, -0.1274632500000000, 0.0192997400000000 ] - [ -0.0000753500000000, 0.0000930800000000, 0.0006540700000000 ] - [ 0.0000440900000000, 0.0017460500000000, 0.0005037800000000 ] - [ 0.0000268600000000, 0.0012434300000000, 0.0005587900000000 ] - [ 0.0005239800000000, -0.0003762300000000, -0.0000014600000000 ] - [ -0.0001009800000000, -0.0011610900000000, -0.0007441500000000 ] - [ 0.0001717500000000, -0.0001699000000000, -0.0007783800000000 ] - [ 0.0003158400000000, -0.0002638200000000, -0.0003072000000000 ] - [ -0.0120490700000000, -0.0003657200000000, -0.0579802700000000 ] - [ 0.0001873300000000, -0.0013937700000000, 0.0000878500000000 ] - [ 0.0004704300000000, 0.0011894900000000, -0.0007968300000000 ] - [ 0.0003569900000000, 0.0006160400000000, -0.0007225900000000 ] - [ 0.0000813800000000, -0.0026088300000000, 0.0005356500000000 ] - [ 0.0003338300000000, -0.0012134400000000, 0.0008076300000000 ] - [ -0.0001953300000000, 0.0000582100000000, 0.0006122600000000 ] - [ -0.0001249300000000, -0.0002886100000000, 0.0006809800000000 ] - [ 0.0008250900000000, 0.0036281600000000, 0.0005564300000000 ] - [ -0.0001563400000000, 0.0009292800000000, -0.0009017000000000 ] - [ -0.0007381300000000, 0.0036519500000000, -0.0014305600000000 ] - [ 0.0001745600000000, 0.0009246400000000, -0.0003758200000000 ] - [ 0.0005884900000000, -0.0040651300000000, -0.0010318700000000 ] - [ -0.0002318600000000, -0.0017491400000000, -0.0007509800000000 ] - [ -0.0009513400000000, 0.0007859600000000, -0.0009833500000000 ] - [ -0.0006631900000000, 0.0003838900000000, -0.0008655100000000 ] - [ 0.0358882600000000, -0.0010891300000000, 0.0455363900000000 ] - [ -0.0010685400000000, -0.0005883300000000, -0.0008048500000000 ] - [ -0.0001246100000000, 0.0018970200000000, -0.0007068900000000 ] - [ -0.0001014900000000, 0.0013612100000000, -0.0006815800000000 ] - [ 0.0026737200000000, -0.0015854200000000, -0.0031212900000000 ] - [ 0.0000822100000000, -0.0003676400000000, -0.0007213000000000 ] - [ -0.0002432600000000, 0.0015854200000000, 0.0000773800000000 ] - [ 0.0002253900000000, 0.0010536100000000, -0.0000507700000000 ] - [ 0.0018349300000000, -0.0003170700000000, -0.0004765700000000 ] - [ -0.0005318700000000, -0.0009091300000000, 0.0004060900000000 ] - [ -0.0002213400000000, 0.0012975600000000, 0.0001864400000000 ] - [ 0.0000618200000000, 0.0012594100000000, 0.0001331700000000 ] - [ 0.0010585600000000, 0.0003934400000000, 0.0012628400000000 ] - [ -0.0005524300000000, -0.0008350600000000, 0.0005133900000000 ] - [ 0.0005931200000000, 0.0002556700000000, 0.0008143000000000 ] - [ 0.0013048400000000, 0.0006500800000000, 0.0010772600000000 ] - [ -0.0006841300000000, 0.0019825400000000, 0.0021782500000000 ] - [ -0.0004218500000000, 0.0002359600000000, 0.0003137600000000 ] - [ -0.0010759400000000, 0.0029808100000000, -0.0020120500000000 ] - [ -0.0001357800000000, -0.0000345300000000, 0.0008924400000000 ] - [ 0.0019804300000000, 0.0027824700000000, 0.0022202500000000 ] - [ -0.0003207900000000, 0.0007557000000000, 0.0004420900000000 ] - [ -0.0012727300000000, 0.0029174700000000, 0.0001330600000000 ] - [ 0.0005650200000000, 0.0009222800000000, 0.0009088200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022104300000000, 0.0001447000000000, 0.0003402500000000 ] - [ 0.0009864900000000, -0.0006951800000000, 0.0003330300000000 ] - [ 0.0006619600000000, 0.0005902800000000, -0.0000128000000000 ] - [ -0.0000303900000000, 0.0001121900000000, 0.0000690900000000 ] - [ -0.0013893400000000, -0.0019293600000000, 0.0001934800000000 ] - [ 0.0011741300000000, -0.0009199100000000, -0.0005359500000000 ] - [ -0.0000378800000000, 0.0006128400000000, -0.0001049300000000 ] - [ -0.0004033100000000, 0.0002320300000000, -0.0002014400000000 ] - [ 0.0000279100000000, -0.0018525800000000, -0.0001147700000000 ] - [ -0.0009932700000000, -0.0015224600000000, 0.0001199800000000 ] - [ -0.0002243900000000, 0.0013709600000000, -0.0000888800000000 ] - [ -0.0003535700000000, 0.0009175500000000, -0.0000559000000000 ] - [ -0.0001934300000000, 0.0019809000000000, -0.0006333300000000 ] - [ 0.0007059300000000, 0.0004664200000000, 0.0005222900000000 ] - [ 0.0001135000000000, 0.0017287000000000, 0.0011421700000000 ] - [ 0.0000200000000000, 0.0003762000000000, -0.0003582100000000 ] - [ 0.0020788700000000, -0.0023434200000000, -0.0013159300000000 ] - [ 0.0000708300000000, -0.0009688800000000, -0.0003188600000000 ] - [ 0.0001550700000000, 0.0004276900000000, -0.0000719000000000 ] - [ 0.0001296300000000, 0.0001951900000000, -0.0001718600000000 ] - [ -0.0042096200000000, -0.0149248900000000, 0.0039391900000000 ] - [ -0.0002243000000000, -0.0001707300000000, 0.0001265200000000 ] - [ -0.0000285100000000, 0.0014512700000000, 0.0005937500000000 ] - [ 0.0000931100000000, 0.0006882700000000, 0.0002781300000000 ] - [ -0.0003161000000000, 0.0003649500000000, 0.0004273400000000 ] - [ -0.0001889200000000, -0.0000799700000000, 0.0001982200000000 ] - [ 0.0003647500000000, -0.0001978900000000, -0.0004455300000000 ] - [ 0.0003101400000000, -0.0001360300000000, 0.0005531200000000 ] - [ -0.0028619400000000, -0.0114370500000000, -0.0019339900000000 ] - [ 0.0000315100000000, -0.0000208200000000, -0.0001316000000000 ] - [ -0.0004004300000000, 0.0014383700000000, -0.0004149800000000 ] - [ 0.0000227400000000, 0.0006581700000000, -0.0003134000000000 ] - [ -0.0074121500000000, -0.0939415500000000, 0.0020981100000000 ] - [ -0.0008361900000000, -0.0012509200000000, 0.0012985400000000 ] - [ 0.0004297100000000, 0.0022488800000000, 0.0004463400000000 ] - [ 0.0001698400000000, 0.0016090100000000, 0.0006589700000000 ] - [ 0.0014180600000000, 0.0009112600000000, -0.0003484700000000 ] - [ -0.0006176400000000, -0.0016689800000000, -0.0009446900000000 ] - [ 0.0006380000000000, 0.0007608000000000, -0.0012216300000000 ] - [ 0.0011452100000000, 0.0011040000000000, -0.0007358700000000 ] - [ 0.0002195100000000, 0.0037993000000000, 0.0021528500000000 ] - [ -0.0001771600000000, 0.0011754700000000, -0.0011478800000000 ] - [ -0.0020895700000000, 0.0041227100000000, -0.0019377400000000 ] - [ 0.0002828700000000, 0.0009039300000000, -0.0005617700000000 ] - [ 0.0019028200000000, -0.0059391900000000, -0.0006621700000000 ] - [ 0.0001337800000000, -0.0016032700000000, 0.0008725000000000 ] - [ -0.0011070100000000, 0.0014124500000000, 0.0011667400000000 ] - [ -0.0006943600000000, 0.0007255300000000, 0.0011995300000000 ] - [ 0.0416360200000000, 0.1287467700000000, -0.0174615000000000 ] - [ -0.0000795300000000, 0.0013984000000000, 0.0004844200000000 ] - [ -0.0001806000000000, -0.0002460000000000, 0.0006541600000000 ] - [ -0.0001754900000000, 0.0002441000000000, 0.0005912700000000 ] - [ -0.0003626200000000, -0.0011215200000000, -0.0011526600000000 ] - [ 0.0002304100000000, -0.0003442500000000, -0.0004182600000000 ] - [ -0.0000199700000000, -0.0013172600000000, -0.0003724700000000 ] - [ -0.0001809500000000, -0.0012370400000000, -0.0008505900000000 ] - [ 0.0124869000000000, 0.0001204700000000, 0.0575821900000000 ] - [ 0.0002167800000000, 0.0008800000000000, -0.0008950600000000 ] - [ -0.0000583800000000, -0.0017019500000000, 0.0000106700000000 ] - [ 0.0000540900000000, -0.0011300800000000, -0.0000738400000000 ] - [ -0.0002027400000000, 0.0011117500000000, 0.0006183900000000 ] - [ -0.0004935200000000, -0.0002805000000000, 0.0003233700000000 ] - [ 0.0000616100000000, -0.0015662600000000, 0.0005413700000000 ] - [ -0.0000243400000000, -0.0011978600000000, 0.0004700100000000 ] - [ -0.0006820600000000, -0.0021544900000000, -0.0016976300000000 ] - [ 0.0002867400000000, 0.0005791500000000, -0.0002585600000000 ] - [ 0.0008875300000000, -0.0021300700000000, 0.0002870500000000 ] - [ -0.0000419800000000, 0.0005768900000000, -0.0007853100000000 ] - [ -0.0014976400000000, 0.0030843700000000, -0.0005927100000000 ] - [ -0.0007205600000000, 0.0007868700000000, -0.0008810600000000 ] - [ 0.0000219100000000, -0.0017628700000000, -0.0006433200000000 ] - [ -0.0002683600000000, -0.0013543200000000, -0.0007571200000000 ] - [ -0.0365249700000000, 0.0017967900000000, -0.0469243600000000 ] - [ 0.0001263800000000, 0.0015594900000000, -0.0008282300000000 ] - [ -0.0008029500000000, -0.0009204000000000, -0.0009125900000000 ] - [ -0.0008287200000000, -0.0003885900000000, -0.0009402900000000 ] - [ -0.0022485400000000, 0.0020917100000000, 0.0023343100000000 ] - [ 0.0003227300000000, 0.0008851500000000, -0.0000753200000000 ] - [ 0.0006605700000000, -0.0010762400000000, -0.0008697600000000 ] - [ 0.0001854100000000, -0.0005403700000000, -0.0007469500000000 ] - [ -0.0022351100000000, 0.0008358000000000, 0.0012740800000000 ] - [ 0.0001110000000000, 0.0014287100000000, 0.0003831100000000 ] - [ -0.0001898200000000, -0.0007832500000000, 0.0006125200000000 ] - [ -0.0004768000000000, -0.0007547900000000, 0.0006572900000000 ] - [ -0.0001310300000000, -0.0013642500000000, 0.0003598200000000 ] - [ 0.0014795900000000, -0.0001334200000000, 0.0011140700000000 ] - [ 0.0003375000000000, -0.0012227500000000, 0.0008106800000000 ] - [ -0.0003852100000000, -0.0016360100000000, 0.0005400700000000 ] - [ 0.0002741700000000, -0.0025047400000000, -0.0013923900000000 ] - [ 0.0000075100000000, -0.0007417500000000, 0.0004748100000000 ] - [ 0.0006663700000000, -0.0034731200000000, 0.0027890900000000 ] - [ -0.0002827900000000, -0.0004855700000000, -0.0001083500000000 ] - [ -0.0010567900000000, -0.0018228200000000, -0.0005981300000000 ] - [ 0.0012517400000000, 0.0002267600000000, 0.0011764800000000 ] - [ 0.0021931800000000, -0.0019346400000000, 0.0014870100000000 ] - [ 0.0003668600000000, 0.0000470700000000, 0.0007145300000000 ]- atom: 49 displacement: [ -0.0049044182890843, 0.0000000000000000, 0.0087147393102545 ] forces: - [ 0.0025945800000000, -0.0026019800000000, 0.0014443500000000 ] - [ -0.0000889100000000, -0.0003879300000000, 0.0001497600000000 ] - [ 0.0005674000000000, -0.0000579700000000, 0.0003890900000000 ] - [ 0.0000163300000000, -0.0002780800000000, 0.0000094100000000 ] - [ -0.0008863500000000, -0.0003486700000000, 0.0008467300000000 ] - [ -0.0008756200000000, -0.0003588800000000, 0.0012670800000000 ] - [ -0.0003576400000000, -0.0002706700000000, 0.0000078400000000 ] - [ -0.0002530000000000, -0.0001833900000000, 0.0000008800000000 ] - [ -0.0010713100000000, 0.0004548700000000, 0.0008956700000000 ] - [ -0.0013427600000000, -0.0002757700000000, -0.0029771500000000 ] - [ -0.0003044400000000, 0.0004423100000000, -0.0001766000000000 ] - [ -0.0002742600000000, 0.0004121300000000, -0.0000999100000000 ] - [ 0.0005451700000000, 0.0028391400000000, -0.0002724100000000 ] - [ 0.0000024200000000, 0.0001456300000000, -0.0002977800000000 ] - [ 0.0010629000000000, -0.0008420300000000, -0.0004912300000000 ] - [ -0.0001427000000000, 0.0005324700000000, -0.0003373500000000 ] - [ 0.0046270800000000, -0.0016066900000000, -0.0041727300000000 ] - [ -0.0007243500000000, -0.0004500700000000, -0.0005009100000000 ] - [ 0.0002019700000000, -0.0001824900000000, -0.0002101700000000 ] - [ -0.0000859200000000, -0.0002901300000000, -0.0003062900000000 ] - [ -0.0055610800000000, -0.0066081400000000, 0.0091600500000000 ] - [ -0.0003325100000000, 0.0001501800000000, 0.0000891900000000 ] - [ 0.0000612500000000, 0.0005789000000000, 0.0004866800000000 ] - [ -0.0001239900000000, 0.0002676700000000, 0.0002191200000000 ] - [ 0.0002108000000000, -0.0003896100000000, -0.0000642900000000 ] - [ -0.0002914700000000, -0.0000298500000000, 0.0000837200000000 ] - [ 0.0003162600000000, 0.0004924200000000, -0.0005917000000000 ] - [ -0.0004828000000000, -0.0005801800000000, -0.0000758900000000 ] - [ -0.0017339500000000, 0.0015042800000000, 0.0055404900000000 ] - [ -0.0001964200000000, 0.0003072700000000, -0.0004854300000000 ] - [ 0.0002211800000000, 0.0001705700000000, -0.0000237000000000 ] - [ -0.0001135500000000, 0.0004416100000000, -0.0003414800000000 ] - [ 0.0192166200000000, -0.0043553200000000, 0.1948636600000000 ] - [ -0.0012354500000000, 0.0002008600000000, -0.0006474100000000 ] - [ 0.0001168400000000, 0.0007933100000000, 0.0013087300000000 ] - [ -0.0004428000000000, 0.0004671600000000, 0.0005961100000000 ] - [ 0.0002906200000000, 0.0018614600000000, -0.0031799300000000 ] - [ -0.0004720200000000, -0.0001462300000000, -0.0016922200000000 ] - [ 0.0003721600000000, -0.0001395100000000, -0.0009958200000000 ] - [ -0.0001578900000000, -0.0010071900000000, -0.0012285100000000 ] - [ 0.0024241900000000, -0.0026465600000000, 0.0004035100000000 ] - [ -0.0003351900000000, 0.0010445900000000, -0.0013310900000000 ] - [ -0.0001323300000000, 0.0037921100000000, 0.0023164600000000 ] - [ 0.0004732500000000, -0.0002037600000000, -0.0013177700000000 ] - [ 0.0010598500000000, -0.0007462000000000, -0.0024876100000000 ] - [ -0.0015431000000000, 0.0006835200000000, -0.0006357400000000 ] - [ -0.0002233500000000, -0.0004836500000000, 0.0007324900000000 ] - [ -0.0006128700000000, -0.0001656000000000, 0.0005796400000000 ] - [ -0.0752445800000000, 0.0375444000000000, -0.2636867200000000 ] - [ 0.0006758000000000, 0.0008188700000000, 0.0018861800000000 ] - [ -0.0003390000000000, 0.0006264300000000, 0.0001787300000000 ] - [ 0.0000621400000000, 0.0006792400000000, 0.0007726800000000 ] - [ -0.0012344900000000, -0.0004623300000000, 0.0018869200000000 ] - [ 0.0005949700000000, -0.0008113000000000, -0.0001184700000000 ] - [ -0.0001138300000000, -0.0009708700000000, -0.0003845300000000 ] - [ 0.0004052000000000, -0.0006346200000000, -0.0002552400000000 ] - [ 0.0291555100000000, -0.0358265300000000, 0.0524326800000000 ] - [ 0.0009685400000000, -0.0001624700000000, 0.0006183100000000 ] - [ 0.0000088300000000, -0.0003546500000000, -0.0005355800000000 ] - [ 0.0003101400000000, -0.0003952800000000, -0.0002384300000000 ] - [ -0.0013710500000000, -0.0006403500000000, 0.0024171300000000 ] - [ 0.0010890700000000, -0.0007558800000000, 0.0016707600000000 ] - [ -0.0002399700000000, -0.0008478500000000, 0.0006806200000000 ] - [ 0.0001285500000000, -0.0008630100000000, 0.0008070600000000 ] - [ -0.0001702300000000, 0.0011042100000000, -0.0027340700000000 ] - [ 0.0005871700000000, 0.0006246600000000, -0.0000618800000000 ] - [ -0.0001040800000000, 0.0001354500000000, -0.0026946700000000 ] - [ 0.0003093200000000, 0.0009228000000000, -0.0002201800000000 ] - [ -0.0035798100000000, -0.0008427200000000, 0.0017132400000000 ] - [ 0.0011507000000000, -0.0011903500000000, -0.0005237500000000 ] - [ -0.0006086900000000, -0.0004460700000000, -0.0008218500000000 ] - [ -0.0002267600000000, -0.0007029600000000, -0.0006823100000000 ] - [ 0.0324486100000000, 0.0147682000000000, 0.0007913000000000 ] - [ 0.0000480200000000, 0.0006307600000000, 0.0002675700000000 ] - [ -0.0006800800000000, 0.0000163600000000, -0.0011341600000000 ] - [ -0.0003780200000000, 0.0004619000000000, -0.0006933200000000 ] - [ -0.0019904700000000, -0.0001051000000000, 0.0010306600000000 ] - [ 0.0005201300000000, 0.0000998200000000, -0.0002041900000000 ] - [ -0.0000225000000000, 0.0004616500000000, -0.0002528800000000 ] - [ 0.0004398500000000, 0.0001820600000000, -0.0003320500000000 ] - [ -0.0025930300000000, -0.0015874900000000, 0.0022355800000000 ] - [ 0.0005951100000000, -0.0003128700000000, 0.0001374400000000 ] - [ -0.0001900200000000, -0.0000226900000000, 0.0004690500000000 ] - [ -0.0000706900000000, 0.0005591000000000, 0.0003100100000000 ] - [ 0.0003807300000000, -0.0015202100000000, 0.0010628500000000 ] - [ 0.0012139100000000, -0.0007268600000000, 0.0005888400000000 ] - [ 0.0003853800000000, -0.0006232300000000, 0.0010410100000000 ] - [ 0.0009035400000000, 0.0002498400000000, 0.0009373300000000 ] - [ -0.0010002700000000, 0.0006217000000000, 0.0006101500000000 ] - [ 0.0000222800000000, -0.0005768300000000, 0.0006080600000000 ] - [ 0.0009563000000000, -0.0047152400000000, 0.0000078400000000 ] - [ -0.0002754800000000, 0.0003755000000000, 0.0009775200000000 ] - [ 0.0012750200000000, 0.0039758700000000, -0.0000546000000000 ] - [ 0.0003718900000000, -0.0002562200000000, 0.0017364600000000 ] - [ 0.0011878100000000, -0.0011610400000000, 0.0003490200000000 ] - [ 0.0002556500000000, 0.0007102900000000, 0.0009542900000000 ]- atom: 49 displacement: [ 0.0049044182890843, 0.0000000000000000, -0.0087147393102545 ] forces: - [ -0.0020062800000000, 0.0019652200000000, -0.0012878900000000 ] - [ 0.0006630500000000, -0.0002544100000000, 0.0000144900000000 ] - [ 0.0000110600000000, -0.0005832300000000, -0.0002278400000000 ] - [ 0.0005621500000000, -0.0003628700000000, 0.0001558100000000 ] - [ 0.0002606200000000, -0.0002683300000000, -0.0010028100000000 ] - [ 0.0003063000000000, -0.0002883700000000, -0.0014421200000000 ] - [ -0.0002213200000000, -0.0003708900000000, -0.0001701900000000 ] - [ -0.0003250000000000, -0.0004554100000000, -0.0001644200000000 ] - [ 0.0004231600000000, 0.0001781800000000, -0.0012364300000000 ] - [ 0.0007655900000000, 0.0009043000000000, 0.0028242400000000 ] - [ -0.0002734800000000, 0.0001986900000000, 0.0000123200000000 ] - [ -0.0003042800000000, 0.0002312900000000, -0.0000625700000000 ] - [ 0.0000362400000000, -0.0021940900000000, 0.0004390800000000 ] - [ 0.0005748800000000, 0.0004975100000000, 0.0004599700000000 ] - [ -0.0004933800000000, 0.0014993900000000, 0.0006631800000000 ] - [ 0.0007226200000000, 0.0001072300000000, 0.0005017500000000 ] - [ -0.0045503800000000, 0.0009976300000000, 0.0036892200000000 ] - [ 0.0008253800000000, -0.0001579900000000, 0.0000056200000000 ] - [ -0.0001090900000000, -0.0004141100000000, -0.0002801200000000 ] - [ 0.0001810100000000, -0.0003139800000000, -0.0001858600000000 ] - [ 0.0053945100000000, 0.0070519600000000, -0.0086773500000000 ] - [ 0.0002366700000000, 0.0004525000000000, 0.0004082100000000 ] - [ -0.0001597200000000, 0.0000274700000000, 0.0000024600000000 ] - [ 0.0000354700000000, 0.0003355800000000, 0.0002745700000000 ] - [ -0.0002983600000000, -0.0002037700000000, 0.0005582300000000 ] - [ 0.0001958400000000, -0.0005675200000000, 0.0004122000000000 ] - [ -0.0004079600000000, -0.0010956500000000, 0.0010914000000000 ] - [ 0.0003947000000000, -0.0000152900000000, 0.0005720400000000 ] - [ 0.0018337700000000, -0.0008374800000000, -0.0060465000000000 ] - [ 0.0002875000000000, 0.0002845200000000, -0.0000061700000000 ] - [ -0.0001303400000000, 0.0004221100000000, -0.0004712900000000 ] - [ 0.0002094400000000, 0.0001581800000000, -0.0001523600000000 ] - [ -0.0151271700000000, 0.0050576900000000, -0.1865783200000000 ] - [ 0.0005653000000000, 0.0005753700000000, 0.0023838700000000 ] - [ -0.0007885400000000, -0.0000089600000000, 0.0004169500000000 ] - [ -0.0002302500000000, 0.0003129300000000, 0.0011304500000000 ] - [ 0.0003847600000000, -0.0026459600000000, 0.0014684100000000 ] - [ 0.0011379400000000, -0.0006390300000000, -0.0000389900000000 ] - [ 0.0003006000000000, -0.0006406400000000, -0.0007300100000000 ] - [ 0.0008368300000000, 0.0002358200000000, -0.0004950100000000 ] - [ -0.0017483900000000, 0.0034156700000000, -0.0021378600000000 ] - [ 0.0010055400000000, -0.0002577000000000, -0.0003958400000000 ] - [ 0.0008009700000000, -0.0030145500000000, -0.0040577200000000 ] - [ 0.0001979500000000, 0.0009936300000000, -0.0004023200000000 ] - [ -0.0017390500000000, -0.0000536400000000, 0.0042379600000000 ] - [ 0.0008759600000000, -0.0014718200000000, 0.0023694600000000 ] - [ -0.0004505500000000, -0.0002962500000000, 0.0009947500000000 ] - [ -0.0000612200000000, -0.0006129700000000, 0.0011470200000000 ] - [ 0.0696341200000000, -0.0351233600000000, 0.2582170900000000 ] - [ -0.0008207800000000, 0.0006749700000000, -0.0007317000000000 ] - [ 0.0001986500000000, 0.0008718400000000, 0.0009838600000000 ] - [ -0.0002062300000000, 0.0008099100000000, 0.0003876800000000 ] - [ 0.0013786600000000, -0.0010311800000000, -0.0030599000000000 ] - [ -0.0004553800000000, -0.0006911500000000, -0.0010398200000000 ] - [ 0.0002553900000000, -0.0005243000000000, -0.0007790200000000 ] - [ -0.0002672000000000, -0.0008675900000000, -0.0009065700000000 ] - [ -0.0280040300000000, 0.0346237800000000, -0.0525551900000000 ] - [ -0.0005616700000000, -0.0003468200000000, -0.0014205700000000 ] - [ 0.0003997500000000, -0.0001563400000000, -0.0002538600000000 ] - [ 0.0000991500000000, -0.0001192200000000, -0.0005572900000000 ] - [ 0.0012435700000000, -0.0008540900000000, -0.0012642100000000 ] - [ -0.0012367200000000, -0.0007422600000000, -0.0005173100000000 ] - [ 0.0001017900000000, -0.0006597900000000, 0.0004790800000000 ] - [ -0.0002726700000000, -0.0006304000000000, 0.0003542500000000 ] - [ 0.0003141400000000, 0.0004058900000000, 0.0015797400000000 ] - [ -0.0004482300000000, 0.0008793600000000, -0.0010989100000000 ] - [ 0.0002526100000000, 0.0013599500000000, 0.0015473400000000 ] - [ -0.0001735400000000, 0.0005800700000000, -0.0009454500000000 ] - [ 0.0026757300000000, -0.0001169600000000, -0.0033618100000000 ] - [ -0.0020844200000000, 0.0002196800000000, -0.0010974100000000 ] - [ -0.0003205000000000, -0.0005329600000000, -0.0008046600000000 ] - [ -0.0007006800000000, -0.0002714600000000, -0.0009370300000000 ] - [ -0.0332714600000000, -0.0138809300000000, -0.0028573100000000 ] - [ -0.0009790700000000, 0.0003476300000000, -0.0018937400000000 ] - [ -0.0002493500000000, 0.0009555200000000, -0.0004856800000000 ] - [ -0.0005496900000000, 0.0005127500000000, -0.0009262200000000 ] - [ 0.0024153900000000, 0.0006381500000000, -0.0018312400000000 ] - [ -0.0001100900000000, 0.0004137600000000, -0.0005871200000000 ] - [ 0.0004338500000000, 0.0000446300000000, -0.0005391500000000 ] - [ -0.0000280500000000, 0.0003285800000000, -0.0004622300000000 ] - [ 0.0021846400000000, 0.0020913000000000, -0.0014429100000000 ] - [ -0.0010001500000000, 0.0008223500000000, 0.0006581200000000 ] - [ -0.0002193900000000, 0.0005312700000000, 0.0003294400000000 ] - [ -0.0003382300000000, -0.0000570800000000, 0.0004812000000000 ] - [ 0.0005431300000000, 0.0005403100000000, 0.0005536900000000 ] - [ -0.0002760700000000, -0.0002485400000000, 0.0010388200000000 ] - [ 0.0005446000000000, -0.0003515400000000, 0.0005835900000000 ] - [ 0.0000171500000000, -0.0012338000000000, 0.0006812400000000 ] - [ 0.0005835500000000, -0.0011262900000000, 0.0001890100000000 ] - [ -0.0004310100000000, 0.0000662400000000, 0.0001845700000000 ] - [ -0.0013706700000000, 0.0042217700000000, 0.0007900600000000 ] - [ -0.0001376400000000, -0.0008912700000000, -0.0001913500000000 ] - [ -0.0003461200000000, -0.0029895700000000, 0.0016856300000000 ] - [ 0.0005634200000000, 0.0012314400000000, -0.0001086500000000 ] - [ -0.0002585200000000, 0.0021355500000000, 0.0012759600000000 ] - [ 0.0006772300000000, 0.0002622300000000, 0.0006722700000000 ]- atom: 57 displacement: [ 0.0099994969313681, 0.0000000000000000, 0.0001003051322676 ] forces: - [ 0.0003897000000000, 0.0001791900000000, 0.0030041800000000 ] - [ -0.0007111700000000, -0.0003190300000000, -0.0010477600000000 ] - [ 0.0003615100000000, -0.0005073600000000, 0.0003832900000000 ] - [ 0.0001702400000000, -0.0004172000000000, -0.0000473800000000 ] - [ -0.0007828800000000, 0.0011423100000000, -0.0008883400000000 ] - [ -0.0014389000000000, -0.0006858000000000, 0.0008339700000000 ] - [ -0.0003411400000000, -0.0009698800000000, -0.0002860800000000 ] - [ -0.0002695100000000, -0.0001274600000000, 0.0000891700000000 ] - [ -0.0012640200000000, 0.0008929400000000, -0.0001227200000000 ] - [ 0.0033107800000000, 0.0019761100000000, 0.0010778200000000 ] - [ -0.0003764600000000, -0.0000052200000000, -0.0000819300000000 ] - [ -0.0002187000000000, 0.0002015000000000, -0.0000997400000000 ] - [ 0.0021968400000000, 0.0000065900000000, 0.0000664700000000 ] - [ -0.0006548700000000, 0.0002608200000000, -0.0001523700000000 ] - [ 0.0010443300000000, -0.0006890000000000, -0.0007181700000000 ] - [ 0.0000519400000000, 0.0003529000000000, 0.0000200200000000 ] - [ 0.0132076300000000, -0.0021143400000000, -0.0062196600000000 ] - [ -0.0007787500000000, -0.0004226700000000, -0.0005686000000000 ] - [ 0.0001782800000000, -0.0005078200000000, -0.0002667800000000 ] - [ -0.0001121200000000, -0.0004512800000000, -0.0003113200000000 ] - [ 0.0017446600000000, -0.0016683100000000, -0.0041443200000000 ] - [ -0.0006224200000000, 0.0003910900000000, 0.0003522200000000 ] - [ 0.0000691500000000, 0.0000622900000000, 0.0002345300000000 ] - [ -0.0001687000000000, 0.0001214800000000, 0.0002013300000000 ] - [ 0.0000930900000000, -0.0013267100000000, 0.0008294600000000 ] - [ -0.0002295200000000, 0.0001519800000000, -0.0001621800000000 ] - [ -0.0002695200000000, 0.0002977200000000, 0.0002956500000000 ] - [ -0.0004322500000000, -0.0005606300000000, -0.0000100000000000 ] - [ 0.0004789800000000, 0.0009444400000000, 0.0029189600000000 ] - [ -0.0002515700000000, 0.0003092700000000, -0.0005375200000000 ] - [ 0.0004304100000000, -0.0000265100000000, 0.0000194000000000 ] - [ -0.0002098300000000, 0.0002943900000000, -0.0004020700000000 ] - [ 0.0876409200000000, 0.0293634000000000, -0.0114389200000000 ] - [ -0.0012820800000000, 0.0003682500000000, -0.0005515300000000 ] - [ -0.0002456300000000, 0.0000522400000000, 0.0013949100000000 ] - [ -0.0007613700000000, -0.0001675600000000, 0.0005969900000000 ] - [ -0.0020195900000000, -0.0081382600000000, 0.0018303600000000 ] - [ -0.0009603800000000, 0.0010748300000000, -0.0031404100000000 ] - [ 0.0005074600000000, -0.0003198900000000, -0.0007093900000000 ] - [ -0.0002534300000000, -0.0013486100000000, -0.0011381100000000 ] - [ 0.0004693000000000, -0.0006795000000000, -0.0011142400000000 ] - [ -0.0002336800000000, 0.0010224700000000, -0.0013054500000000 ] - [ 0.0007906200000000, 0.0010131700000000, 0.0006549600000000 ] - [ 0.0004679500000000, -0.0003073600000000, -0.0014587400000000 ] - [ 0.0004101700000000, 0.0022240800000000, 0.0040594200000000 ] - [ -0.0013861200000000, 0.0002849300000000, -0.0005856000000000 ] - [ 0.0002234100000000, -0.0009661700000000, 0.0013661800000000 ] - [ -0.0005427100000000, -0.0005879600000000, 0.0002995600000000 ] - [ -0.0235342100000000, -0.0122244400000000, 0.0208290400000000 ] - [ 0.0006867800000000, 0.0007385000000000, 0.0018966100000000 ] - [ -0.0002722200000000, 0.0010079500000000, 0.0002368500000000 ] - [ 0.0001682200000000, 0.0008890400000000, 0.0008377500000000 ] - [ 0.0014545500000000, 0.0012742700000000, -0.0025058500000000 ] - [ 0.0008590200000000, -0.0010713500000000, 0.0007841300000000 ] - [ -0.0001282300000000, -0.0007673400000000, -0.0006715900000000 ] - [ 0.0003973300000000, -0.0004852300000000, -0.0002419000000000 ] - [ -0.0875508100000000, -0.0604445100000000, 0.0117335100000000 ] - [ 0.0010851200000000, -0.0006757300000000, 0.0001489700000000 ] - [ 0.0001026300000000, 0.0001871700000000, -0.0006410200000000 ] - [ 0.0003997700000000, 0.0000370900000000, -0.0004028900000000 ] - [ 0.0000389900000000, -0.0031676700000000, -0.0018543400000000 ] - [ 0.0010646500000000, -0.0006236600000000, 0.0015801400000000 ] - [ -0.0004301500000000, -0.0003103800000000, 0.0001123500000000 ] - [ 0.0001876200000000, -0.0007730800000000, 0.0009930200000000 ] - [ -0.0010613600000000, 0.0016468200000000, 0.0001138000000000 ] - [ 0.0006580800000000, 0.0006748700000000, -0.0003174100000000 ] - [ -0.0006709800000000, 0.0012022700000000, -0.0018985700000000 ] - [ 0.0003031700000000, 0.0009701400000000, -0.0001827700000000 ] - [ -0.0009714300000000, -0.0018837000000000, -0.0033475900000000 ] - [ 0.0003683200000000, -0.0012243000000000, -0.0001413700000000 ] - [ -0.0008882000000000, 0.0000098000000000, -0.0010755600000000 ] - [ -0.0002646100000000, -0.0003965600000000, -0.0006233800000000 ] - [ -0.0075371300000000, 0.0460721400000000, -0.0141374200000000 ] - [ 0.0002882800000000, 0.0006084900000000, -0.0003177600000000 ] - [ -0.0006329300000000, 0.0006483800000000, -0.0009642600000000 ] - [ -0.0000644400000000, 0.0009532100000000, -0.0006151300000000 ] - [ 0.0002496200000000, -0.0018424700000000, -0.0026473200000000 ] - [ 0.0005199100000000, 0.0001813900000000, 0.0000701900000000 ] - [ -0.0001705300000000, 0.0005402000000000, -0.0007207500000000 ] - [ 0.0004515500000000, 0.0005050800000000, -0.0000000300000000 ] - [ 0.0101919600000000, 0.0040350300000000, -0.0004832000000000 ] - [ 0.0016254700000000, -0.0010907900000000, 0.0007196300000000 ] - [ -0.0002932700000000, 0.0003604400000000, 0.0004312400000000 ] - [ -0.0000236800000000, 0.0007827300000000, 0.0002522800000000 ] - [ 0.0020671500000000, 0.0036071300000000, 0.0013632300000000 ] - [ 0.0013682300000000, -0.0014477200000000, 0.0010777400000000 ] - [ 0.0005293600000000, -0.0007240800000000, 0.0007970500000000 ] - [ 0.0010808000000000, 0.0003887200000000, 0.0009857500000000 ] - [ -0.0000261300000000, 0.0006787400000000, 0.0006350200000000 ] - [ -0.0002240400000000, -0.0005731100000000, 0.0004635300000000 ] - [ -0.0000102400000000, -0.0010192300000000, -0.0003074100000000 ] - [ -0.0002326000000000, 0.0004891100000000, 0.0010544700000000 ] - [ 0.0005524600000000, 0.0013370900000000, 0.0014809100000000 ] - [ 0.0003303800000000, -0.0002390600000000, 0.0011266700000000 ] - [ 0.0002224100000000, 0.0005994300000000, 0.0003668300000000 ] - [ 0.0003153000000000, 0.0008853300000000, 0.0009872700000000 ]- atom: 57 displacement: [ -0.0099994969313681, 0.0000000000000000, -0.0001003051322676 ] forces: - [ 0.0001961900000000, -0.0008276600000000, -0.0028328800000000 ] - [ 0.0012882400000000, -0.0003245500000000, 0.0012167700000000 ] - [ 0.0002179000000000, -0.0001246400000000, -0.0002211700000000 ] - [ 0.0004045600000000, -0.0002195900000000, 0.0002116500000000 ] - [ 0.0001957700000000, -0.0017931900000000, 0.0007387000000000 ] - [ 0.0008810400000000, 0.0000355100000000, -0.0009993200000000 ] - [ -0.0002359600000000, 0.0003358400000000, 0.0001240200000000 ] - [ -0.0003084000000000, -0.0005065900000000, -0.0002536800000000 ] - [ 0.0006820600000000, -0.0002645700000000, -0.0000718400000000 ] - [ -0.0038184600000000, -0.0012982300000000, -0.0011181300000000 ] - [ -0.0002000100000000, 0.0006520000000000, -0.0000835100000000 ] - [ -0.0003593700000000, 0.0004450500000000, -0.0000641300000000 ] - [ -0.0016233900000000, 0.0006529900000000, 0.0000938400000000 ] - [ 0.0012328200000000, 0.0003808100000000, 0.0003141900000000 ] - [ -0.0004729700000000, 0.0013469900000000, 0.0008923800000000 ] - [ 0.0005234300000000, 0.0002889600000000, 0.0001405200000000 ] - [ -0.0138107000000000, 0.0016715000000000, 0.0063258100000000 ] - [ 0.0008609700000000, -0.0001863500000000, 0.0000688100000000 ] - [ -0.0000930700000000, -0.0000834700000000, -0.0002215800000000 ] - [ 0.0002002000000000, -0.0001438100000000, -0.0001819200000000 ] - [ -0.0019665300000000, 0.0022034300000000, 0.0045306900000000 ] - [ 0.0005286900000000, 0.0002049200000000, 0.0001454400000000 ] - [ -0.0001547300000000, 0.0005435100000000, 0.0002586700000000 ] - [ 0.0000836700000000, 0.0004817200000000, 0.0002931100000000 ] - [ -0.0001799400000000, 0.0007394200000000, -0.0003393100000000 ] - [ 0.0001387600000000, -0.0007394300000000, 0.0006549300000000 ] - [ 0.0001825900000000, -0.0008894200000000, 0.0001928700000000 ] - [ 0.0003479000000000, -0.0000325700000000, 0.0005085000000000 ] - [ -0.0003844400000000, -0.0003026400000000, -0.0034430600000000 ] - [ 0.0003373700000000, 0.0002792900000000, 0.0000425600000000 ] - [ -0.0003394800000000, 0.0006245500000000, -0.0005143500000000 ] - [ 0.0002960700000000, 0.0003029900000000, -0.0000948300000000 ] - [ -0.0889322700000000, -0.0298139000000000, 0.0141147000000000 ] - [ 0.0006034800000000, 0.0003965500000000, 0.0022789000000000 ] - [ -0.0004191800000000, 0.0007452700000000, 0.0003296300000000 ] - [ 0.0000920300000000, 0.0009565800000000, 0.0011272700000000 ] - [ 0.0026927400000000, 0.0074235000000000, -0.0035861800000000 ] - [ 0.0016167100000000, -0.0018555000000000, 0.0013927300000000 ] - [ 0.0001673500000000, -0.0004512500000000, -0.0010205800000000 ] - [ 0.0009360100000000, 0.0005844900000000, -0.0005860600000000 ] - [ 0.0002101500000000, 0.0014540000000000, -0.0006085000000000 ] - [ 0.0009027800000000, -0.0002343300000000, -0.0004236000000000 ] - [ -0.0001337900000000, -0.0002070000000000, -0.0023854400000000 ] - [ 0.0002033600000000, 0.0010961700000000, -0.0002646600000000 ] - [ -0.0010823600000000, -0.0030390500000000, -0.0023805800000000 ] - [ 0.0007140100000000, -0.0010703400000000, 0.0023096700000000 ] - [ -0.0009017700000000, 0.0001973300000000, 0.0003596400000000 ] - [ -0.0001339500000000, -0.0001841900000000, 0.0014269900000000 ] - [ 0.0236074600000000, 0.0134670600000000, -0.0194243300000000 ] - [ -0.0008307000000000, 0.0007592500000000, -0.0007407100000000 ] - [ 0.0001299100000000, 0.0004866500000000, 0.0009160900000000 ] - [ -0.0003160200000000, 0.0005930500000000, 0.0003165600000000 ] - [ -0.0013250400000000, -0.0027781900000000, 0.0013688600000000 ] - [ -0.0007149800000000, -0.0004293300000000, -0.0019245900000000 ] - [ 0.0002715800000000, -0.0007288000000000, -0.0004827100000000 ] - [ -0.0002591200000000, -0.0010180400000000, -0.0009149400000000 ] - [ 0.0896552900000000, 0.0609875300000000, -0.0143377300000000 ] - [ -0.0006685100000000, 0.0001734800000000, -0.0009434800000000 ] - [ 0.0003043200000000, -0.0007084300000000, -0.0001460800000000 ] - [ 0.0000101400000000, -0.0005582300000000, -0.0003900700000000 ] - [ -0.0001878000000000, 0.0016981300000000, 0.0030389500000000 ] - [ -0.0012100400000000, -0.0008688300000000, -0.0004307100000000 ] - [ 0.0002932800000000, -0.0012046200000000, 0.0010425200000000 ] - [ -0.0003317200000000, -0.0007249300000000, 0.0001603800000000 ] - [ 0.0012060200000000, -0.0001448500000000, -0.0012718100000000 ] - [ -0.0005172700000000, 0.0008299500000000, -0.0008335300000000 ] - [ 0.0008209500000000, 0.0002810700000000, 0.0007538300000000 ] - [ -0.0001683300000000, 0.0005374700000000, -0.0009730700000000 ] - [ 0.0000442600000000, 0.0009296300000000, 0.0017326800000000 ] - [ -0.0012917400000000, 0.0002587000000000, -0.0014805700000000 ] - [ -0.0000403600000000, -0.0009944600000000, -0.0005513800000000 ] - [ -0.0006618000000000, -0.0005823400000000, -0.0009978100000000 ] - [ 0.0062686300000000, -0.0448424500000000, 0.0125516700000000 ] - [ -0.0012122000000000, 0.0003744600000000, -0.0013001800000000 ] - [ -0.0003014500000000, 0.0003124900000000, -0.0006628800000000 ] - [ -0.0008666500000000, 0.0000143400000000, -0.0010059800000000 ] - [ 0.0001480100000000, 0.0023709200000000, 0.0018898100000000 ] - [ -0.0001057200000000, 0.0003357800000000, -0.0008587400000000 ] - [ 0.0005830900000000, -0.0000390300000000, -0.0000719200000000 ] - [ -0.0000368500000000, 0.0000025400000000, -0.0007952100000000 ] - [ -0.0107946900000000, -0.0035745600000000, 0.0012666000000000 ] - [ -0.0020127500000000, 0.0016026800000000, 0.0000705500000000 ] - [ -0.0001173800000000, 0.0001429400000000, 0.0003680000000000 ] - [ -0.0003884000000000, -0.0002831700000000, 0.0005388700000000 ] - [ -0.0011487800000000, -0.0046192400000000, 0.0002540400000000 ] - [ -0.0004214800000000, 0.0004726300000000, 0.0005506200000000 ] - [ 0.0003994400000000, -0.0002555600000000, 0.0008275100000000 ] - [ -0.0001614500000000, -0.0013763100000000, 0.0006312400000000 ] - [ -0.0003910500000000, -0.0011913000000000, 0.0001607000000000 ] - [ -0.0001869300000000, 0.0000583200000000, 0.0003287600000000 ] - [ -0.0003951800000000, 0.0004847600000000, 0.0011046500000000 ] - [ -0.0001840600000000, -0.0010024300000000, -0.0002682300000000 ] - [ 0.0003780100000000, -0.0003521100000000, 0.0001341700000000 ] - [ 0.0006068100000000, 0.0012115600000000, 0.0005020700000000 ] - [ 0.0007186500000000, 0.0003562200000000, 0.0012599000000000 ] - [ 0.0006165400000000, 0.0000845000000000, 0.0006399500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013893400000000, 0.0015123500000000, -0.0020569100000000 ] - [ 0.0000773400000000, 0.0004649300000000, -0.0001536100000000 ] - [ 0.0000883700000000, -0.0020424500000000, 0.0003675600000000 ] - [ 0.0004529400000000, -0.0009890600000000, 0.0000272000000000 ] - [ 0.0016117400000000, 0.0002550700000000, -0.0003463600000000 ] - [ -0.0039111100000000, 0.0007705500000000, 0.0002207400000000 ] - [ -0.0007041200000000, -0.0014579600000000, -0.0002015500000000 ] - [ -0.0000094900000000, -0.0014575900000000, 0.0000502000000000 ] - [ 0.0005286800000000, 0.0021300000000000, 0.0021643100000000 ] - [ 0.0014241300000000, 0.0056204100000000, 0.0009920900000000 ] - [ -0.0004059500000000, -0.0009177900000000, -0.0001364000000000 ] - [ -0.0000892500000000, -0.0010055400000000, -0.0000304300000000 ] - [ 0.0006129800000000, 0.0005935300000000, 0.0003506000000000 ] - [ 0.0000824000000000, 0.0003460500000000, -0.0000560700000000 ] - [ 0.0010388500000000, -0.0030740000000000, -0.0016207400000000 ] - [ 0.0003779100000000, 0.0000891700000000, 0.0003673800000000 ] - [ -0.0048100400000000, 0.0064499400000000, 0.0035594900000000 ] - [ 0.0004243100000000, 0.0010175000000000, 0.0000520100000000 ] - [ -0.0001192300000000, -0.0015087300000000, -0.0004509300000000 ] - [ -0.0001803500000000, -0.0011569300000000, -0.0004150900000000 ] - [ -0.0038177900000000, 0.0062071500000000, -0.0064780100000000 ] - [ 0.0004987800000000, 0.0014702300000000, 0.0004569000000000 ] - [ -0.0001072300000000, -0.0010958300000000, -0.0000304100000000 ] - [ -0.0003412800000000, -0.0004824300000000, 0.0001485600000000 ] - [ -0.0002181700000000, -0.0009917000000000, 0.0002352800000000 ] - [ 0.0006420300000000, -0.0008747900000000, 0.0006326600000000 ] - [ 0.0002352800000000, -0.0009486600000000, 0.0009427900000000 ] - [ -0.0007821800000000, -0.0005839900000000, -0.0003615500000000 ] - [ 0.0014829200000000, -0.0039166600000000, 0.0046901900000000 ] - [ -0.0001685600000000, 0.0007075200000000, -0.0004815500000000 ] - [ 0.0003528500000000, -0.0011878000000000, -0.0004541000000000 ] - [ 0.0003079600000000, -0.0003661000000000, 0.0000002600000000 ] - [ 0.0344611300000000, 0.2622789500000000, -0.1308890900000000 ] - [ 0.0003216100000000, 0.0026220100000000, 0.0002065700000000 ] - [ -0.0021229000000000, -0.0032501800000000, 0.0013110200000000 ] - [ -0.0010266700000000, -0.0014223100000000, 0.0012801500000000 ] - [ -0.0022443300000000, -0.0017189100000000, -0.0031869300000000 ] - [ 0.0041459300000000, 0.0036740800000000, 0.0005150200000000 ] - [ 0.0000566700000000, -0.0020619500000000, 0.0000651100000000 ] - [ -0.0015278300000000, -0.0037087800000000, -0.0012949900000000 ] - [ -0.0035249800000000, 0.0024731200000000, -0.0074241000000000 ] - [ 0.0016960300000000, -0.0008973500000000, 0.0005652800000000 ] - [ 0.0025378600000000, -0.0020063900000000, 0.0009936700000000 ] - [ 0.0004672700000000, -0.0009628400000000, -0.0017371300000000 ] - [ -0.0023504800000000, 0.0039798600000000, 0.0022711100000000 ] - [ -0.0009278600000000, 0.0005608000000000, 0.0004875600000000 ] - [ 0.0007714400000000, -0.0031612500000000, 0.0007296400000000 ] - [ 0.0003309300000000, -0.0019437400000000, 0.0006888600000000 ] - [ -0.0077216100000000, 0.0002987400000000, -0.0442491400000000 ] - [ 0.0000729000000000, -0.0003885600000000, 0.0007599500000000 ] - [ 0.0003673500000000, 0.0021936900000000, 0.0007084400000000 ] - [ 0.0000088100000000, 0.0016160400000000, 0.0004649800000000 ] - [ 0.0039809300000000, -0.0013143700000000, -0.0004868100000000 ] - [ -0.0009164100000000, -0.0019179700000000, -0.0017798900000000 ] - [ -0.0001996700000000, 0.0002935300000000, -0.0010485800000000 ] - [ 0.0008271600000000, 0.0002594200000000, 0.0002047600000000 ] - [ -0.0645755300000000, -0.3490701100000000, 0.2011332100000000 ] - [ -0.0002211000000000, -0.0020207300000000, 0.0000242700000000 ] - [ 0.0006603700000000, 0.0024066300000000, -0.0012664400000000 ] - [ 0.0005093800000000, 0.0010778100000000, -0.0008809800000000 ] - [ -0.0009986100000000, -0.0025986200000000, 0.0004707800000000 ] - [ 0.0005738600000000, -0.0013750300000000, 0.0011240200000000 ] - [ 0.0000365600000000, 0.0005753300000000, 0.0003956700000000 ] - [ -0.0003309800000000, 0.0000507400000000, 0.0005147100000000 ] - [ 0.0038455900000000, 0.0039586600000000, 0.0066625000000000 ] - [ -0.0009323800000000, 0.0009810100000000, -0.0018644500000000 ] - [ -0.0014867800000000, 0.0029936200000000, -0.0024615800000000 ] - [ 0.0004500600000000, 0.0012387700000000, 0.0000020700000000 ] - [ 0.0008521000000000, -0.0042283800000000, -0.0010453100000000 ] - [ -0.0005751400000000, -0.0018337600000000, -0.0005856000000000 ] - [ -0.0011653800000000, 0.0014650000000000, -0.0011239100000000 ] - [ -0.0007972200000000, 0.0008032000000000, -0.0009550300000000 ] - [ 0.0372480000000000, 0.0714474200000000, -0.0278901400000000 ] - [ -0.0011326400000000, -0.0007876200000000, -0.0010476400000000 ] - [ 0.0001789500000000, 0.0035417100000000, -0.0001846500000000 ] - [ 0.0000412600000000, 0.0017384800000000, -0.0006853900000000 ] - [ 0.0023510800000000, -0.0008995200000000, -0.0038266700000000 ] - [ 0.0002845000000000, -0.0001851400000000, -0.0004954900000000 ] - [ -0.0000877200000000, 0.0020983600000000, 0.0001287900000000 ] - [ -0.0000474600000000, 0.0012545700000000, -0.0000230800000000 ] - [ 0.0036103400000000, -0.0017831700000000, 0.0012526100000000 ] - [ -0.0015617600000000, -0.0024642900000000, 0.0009424900000000 ] - [ -0.0000938100000000, 0.0017814400000000, -0.0001189900000000 ] - [ 0.0003353100000000, 0.0023883700000000, -0.0001591000000000 ] - [ 0.0011378900000000, 0.0005800700000000, 0.0018122600000000 ] - [ -0.0036849600000000, -0.0014668100000000, 0.0003329200000000 ] - [ 0.0005932300000000, 0.0005066500000000, 0.0006979500000000 ] - [ 0.0023429600000000, 0.0022303500000000, 0.0015123500000000 ] - [ 0.0005169900000000, 0.0012617000000000, 0.0031478300000000 ] - [ -0.0009420300000000, 0.0005368700000000, -0.0005029600000000 ] - [ -0.0011316700000000, 0.0012574700000000, -0.0005889900000000 ] - [ 0.0000986800000000, 0.0005310300000000, 0.0014714700000000 ] - [ 0.0019340500000000, -0.0023310800000000, 0.0029802600000000 ] - [ -0.0008250200000000, 0.0009263100000000, -0.0009276400000000 ] - [ -0.0010453000000000, 0.0028278000000000, -0.0001822000000000 ] - [ 0.0005870200000000, 0.0015128500000000, 0.0010700800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008078900000000, -0.0021675700000000, 0.0022123400000000 ] - [ 0.0004964700000000, -0.0011080200000000, 0.0003148300000000 ] - [ 0.0004871200000000, 0.0014010100000000, -0.0001996400000000 ] - [ 0.0001210600000000, 0.0003516800000000, 0.0001356900000000 ] - [ -0.0021968400000000, -0.0008835000000000, 0.0001772900000000 ] - [ 0.0033146300000000, -0.0014009100000000, -0.0003768400000000 ] - [ 0.0001311900000000, 0.0008170800000000, 0.0000380100000000 ] - [ -0.0005680800000000, 0.0008164900000000, -0.0002143400000000 ] - [ -0.0011085200000000, -0.0014929700000000, -0.0023324400000000 ] - [ -0.0019691000000000, -0.0049770500000000, -0.0011276100000000 ] - [ -0.0001681400000000, 0.0015582100000000, -0.0000271200000000 ] - [ -0.0004872900000000, 0.0016455500000000, -0.0001358300000000 ] - [ -0.0000291600000000, -0.0002645400000000, -0.0000790700000000 ] - [ 0.0004918900000000, 0.0002907000000000, 0.0002210100000000 ] - [ -0.0004529200000000, 0.0037038500000000, 0.0017707400000000 ] - [ 0.0001951600000000, 0.0005537500000000, -0.0002048400000000 ] - [ 0.0049216300000000, -0.0071520300000000, -0.0040634500000000 ] - [ -0.0003375400000000, -0.0016151800000000, -0.0005427700000000 ] - [ 0.0002082800000000, 0.0009112000000000, -0.0000405300000000 ] - [ 0.0002676800000000, 0.0005579000000000, -0.0000793100000000 ] - [ 0.0036497700000000, -0.0056769600000000, 0.0068746300000000 ] - [ -0.0005855700000000, -0.0008753200000000, 0.0000308900000000 ] - [ 0.0000214700000000, 0.0016978200000000, 0.0005254200000000 ] - [ 0.0002520000000000, 0.0010827600000000, 0.0003447200000000 ] - [ 0.0001314600000000, 0.0003923100000000, 0.0002644000000000 ] - [ -0.0007334200000000, 0.0002789600000000, -0.0001400400000000 ] - [ -0.0003235900000000, 0.0003628000000000, -0.0004479300000000 ] - [ 0.0006920800000000, -0.0000069000000000, 0.0008520900000000 ] - [ -0.0013674900000000, 0.0045106800000000, -0.0051446700000000 ] - [ 0.0002516100000000, -0.0001095900000000, -0.0000144800000000 ] - [ -0.0002630000000000, 0.0017831700000000, -0.0000399700000000 ] - [ -0.0002193000000000, 0.0009590400000000, -0.0004956500000000 ] - [ -0.0320820100000000, -0.2476104100000000, 0.1202302400000000 ] - [ -0.0009923200000000, -0.0018415400000000, 0.0015224500000000 ] - [ 0.0014562500000000, 0.0040347900000000, 0.0004214400000000 ] - [ 0.0003539900000000, 0.0022002600000000, 0.0004475200000000 ] - [ 0.0029088400000000, 0.0008921000000000, 0.0014931800000000 ] - [ -0.0034818800000000, -0.0044830800000000, -0.0022430200000000 ] - [ 0.0006201000000000, 0.0012902300000000, -0.0017917500000000 ] - [ 0.0021885900000000, 0.0029155700000000, -0.0004403600000000 ] - [ 0.0042097100000000, -0.0017106100000000, 0.0057140800000000 ] - [ -0.0010211700000000, 0.0016655300000000, -0.0023016000000000 ] - [ -0.0018658200000000, 0.0028021800000000, -0.0027032000000000 ] - [ 0.0001996000000000, 0.0017501300000000, 0.0000115300000000 ] - [ 0.0016698500000000, -0.0047026800000000, -0.0005102200000000 ] - [ 0.0002530400000000, -0.0013348900000000, 0.0012377600000000 ] - [ -0.0014408400000000, 0.0023805200000000, 0.0009972700000000 ] - [ -0.0010012700000000, 0.0011610100000000, 0.0010381100000000 ] - [ 0.0075468500000000, 0.0007818800000000, 0.0451700600000000 ] - [ -0.0002174100000000, 0.0018830300000000, 0.0003776400000000 ] - [ -0.0005161100000000, -0.0006965600000000, 0.0004287900000000 ] - [ -0.0001572600000000, -0.0001255700000000, 0.0006784500000000 ] - [ -0.0038512700000000, -0.0001619900000000, -0.0006635800000000 ] - [ 0.0010611600000000, 0.0004231300000000, 0.0006419600000000 ] - [ 0.0003424100000000, -0.0017891600000000, -0.0000990400000000 ] - [ -0.0006767400000000, -0.0017557500000000, -0.0013400000000000 ] - [ 0.0608552400000000, 0.3339340200000000, -0.1885524000000000 ] - [ 0.0006344800000000, 0.0015120700000000, -0.0008223000000000 ] - [ -0.0002527700000000, -0.0029184500000000, 0.0004751500000000 ] - [ -0.0000957600000000, -0.0015908800000000, 0.0000851500000000 ] - [ 0.0008594300000000, 0.0010775200000000, 0.0006538600000000 ] - [ -0.0007201800000000, -0.0001264100000000, 0.0000265500000000 ] - [ -0.0001838200000000, -0.0020804800000000, 0.0007455600000000 ] - [ 0.0001824100000000, -0.0015418600000000, 0.0006285100000000 ] - [ -0.0037240100000000, -0.0024933400000000, -0.0078463600000000 ] - [ 0.0010765500000000, 0.0005273200000000, 0.0007257200000000 ] - [ 0.0016221700000000, -0.0014968000000000, 0.0013038900000000 ] - [ -0.0003029500000000, 0.0002583700000000, -0.0011493900000000 ] - [ -0.0017642300000000, 0.0032361000000000, -0.0006217000000000 ] - [ -0.0003577100000000, 0.0008671200000000, -0.0010384000000000 ] - [ 0.0002274400000000, -0.0024314300000000, -0.0005073900000000 ] - [ -0.0001389800000000, -0.0017667200000000, -0.0006711900000000 ] - [ -0.0370907700000000, -0.0688163200000000, 0.0255398300000000 ] - [ 0.0001958900000000, 0.0017500400000000, -0.0005843600000000 ] - [ -0.0011152300000000, -0.0025827400000000, -0.0014462700000000 ] - [ -0.0009768500000000, -0.0007721700000000, -0.0009407300000000 ] - [ -0.0019316700000000, 0.0013763100000000, 0.0029938400000000 ] - [ 0.0001283600000000, 0.0006911200000000, -0.0002952000000000 ] - [ 0.0004993800000000, -0.0015852000000000, -0.0009208200000000 ] - [ 0.0004597700000000, -0.0007375800000000, -0.0007695400000000 ] - [ -0.0039786500000000, 0.0023370100000000, -0.0004697400000000 ] - [ 0.0011423900000000, 0.0029872700000000, -0.0001517200000000 ] - [ -0.0003210200000000, -0.0012761000000000, 0.0009182400000000 ] - [ -0.0007427500000000, -0.0018734100000000, 0.0009497700000000 ] - [ -0.0001952800000000, -0.0015224200000000, -0.0001886800000000 ] - [ 0.0046359700000000, 0.0005098300000000, 0.0012984300000000 ] - [ 0.0003429300000000, -0.0014776800000000, 0.0009299900000000 ] - [ -0.0013955800000000, -0.0031807500000000, 0.0001201000000000 ] - [ -0.0009311100000000, -0.0017764600000000, -0.0023680000000000 ] - [ 0.0005325700000000, -0.0010409200000000, 0.0013028100000000 ] - [ 0.0007202100000000, -0.0017836000000000, 0.0013763200000000 ] - [ -0.0005108200000000, -0.0010494000000000, -0.0006743000000000 ] - [ -0.0010079400000000, 0.0033144300000000, -0.0013569500000000 ] - [ 0.0017629100000000, 0.0000539200000000, 0.0025599700000000 ] - [ 0.0019824500000000, -0.0018694100000000, 0.0018051800000000 ] - [ 0.0003555800000000, -0.0005544400000000, 0.0005633400000000 ]- atom: 57 displacement: [ -0.0049044182890843, 0.0000000000000000, 0.0087147393102545 ] forces: - [ 0.0023909300000000, -0.0015149900000000, -0.0021253500000000 ] - [ 0.0001692400000000, -0.0005951200000000, 0.0006646500000000 ] - [ 0.0005684200000000, 0.0001078300000000, -0.0001430900000000 ] - [ 0.0000524900000000, -0.0000616300000000, 0.0001167700000000 ] - [ -0.0018126100000000, -0.0008529500000000, 0.0014515800000000 ] - [ 0.0013580300000000, -0.0005474600000000, -0.0009849700000000 ] - [ -0.0003604500000000, 0.0002244000000000, 0.0001773200000000 ] - [ -0.0002622300000000, -0.0000007000000000, -0.0002082800000000 ] - [ -0.0004103900000000, -0.0006140000000000, -0.0032631900000000 ] - [ -0.0015816200000000, -0.0008714800000000, 0.0013377400000000 ] - [ -0.0002247000000000, 0.0007799400000000, -0.0001994000000000 ] - [ -0.0003612300000000, 0.0008264800000000, -0.0000257100000000 ] - [ -0.0008127200000000, 0.0014113900000000, 0.0011437400000000 ] - [ 0.0005645800000000, 0.0003387500000000, -0.0002151800000000 ] - [ -0.0001373000000000, 0.0013859600000000, 0.0014652000000000 ] - [ 0.0001369700000000, 0.0003923300000000, -0.0002715600000000 ] - [ -0.0107343700000000, 0.0012876200000000, 0.0086378200000000 ] - [ -0.0000974500000000, -0.0006499300000000, -0.0003324300000000 ] - [ 0.0000755600000000, 0.0001698900000000, -0.0001034900000000 ] - [ 0.0000973800000000, 0.0000061800000000, -0.0002257100000000 ] - [ -0.0033884000000000, -0.0023278500000000, 0.0071446800000000 ] - [ -0.0000673200000000, -0.0000473600000000, -0.0003245700000000 ] - [ -0.0000857600000000, 0.0010357900000000, 0.0005000100000000 ] - [ 0.0000572400000000, 0.0005162700000000, 0.0002173000000000 ] - [ 0.0003788700000000, 0.0006559400000000, -0.0003865500000000 ] - [ -0.0003974000000000, -0.0001639200000000, 0.0003589800000000 ] - [ 0.0007511300000000, -0.0006985600000000, -0.0001498400000000 ] - [ 0.0001001300000000, -0.0002838600000000, 0.0005523900000000 ] - [ 0.0022619300000000, 0.0043921700000000, -0.0031114600000000 ] - [ -0.0001083600000000, 0.0000146500000000, -0.0002640200000000 ] - [ 0.0002137200000000, 0.0003784700000000, -0.0002373600000000 ] - [ -0.0001117400000000, 0.0006670600000000, -0.0003244200000000 ] - [ -0.0580221700000000, -0.1203934400000000, 0.1671367400000000 ] - [ -0.0009456800000000, -0.0004868300000000, 0.0003271600000000 ] - [ 0.0004218300000000, 0.0017165300000000, 0.0008625600000000 ] - [ -0.0000713200000000, 0.0011586500000000, 0.0006275000000000 ] - [ 0.0036536400000000, 0.0039129600000000, 0.0012914800000000 ] - [ -0.0000457100000000, -0.0017249900000000, 0.0001634400000000 ] - [ 0.0004660700000000, 0.0001092200000000, -0.0009421300000000 ] - [ 0.0009743200000000, 0.0007932800000000, -0.0007295600000000 ] - [ 0.0011463000000000, -0.0008719500000000, -0.0014962900000000 ] - [ -0.0009855500000000, 0.0020281800000000, -0.0015545900000000 ] - [ -0.0011695500000000, 0.0024198200000000, -0.0015777300000000 ] - [ 0.0003608500000000, 0.0003255300000000, -0.0010215700000000 ] - [ 0.0029487500000000, -0.0081759800000000, -0.0020752400000000 ] - [ -0.0006918500000000, -0.0003543500000000, 0.0003996500000000 ] - [ -0.0007569500000000, 0.0005225900000000, 0.0006683500000000 ] - [ -0.0006705800000000, 0.0003316200000000, 0.0009440400000000 ] - [ 0.0244821700000000, -0.0431886000000000, 0.0506672400000000 ] - [ 0.0002756600000000, 0.0011795600000000, 0.0013623600000000 ] - [ -0.0003275100000000, 0.0002694200000000, 0.0004003900000000 ] - [ -0.0000775400000000, 0.0003863800000000, 0.0006738000000000 ] - [ -0.0046619200000000, -0.0025152000000000, -0.0000490100000000 ] - [ 0.0003303400000000, -0.0005824300000000, -0.0011411400000000 ] - [ 0.0000023500000000, -0.0009225900000000, -0.0005554500000000 ] - [ -0.0001217700000000, -0.0011098400000000, -0.0008460500000000 ] - [ 0.0581746300000000, 0.1956225000000000, -0.2254082700000000 ] - [ 0.0002471200000000, 0.0003233300000000, -0.0000753900000000 ] - [ 0.0000367200000000, -0.0012379600000000, -0.0002185100000000 ] - [ 0.0001015400000000, -0.0008256000000000, -0.0001141700000000 ] - [ -0.0022774900000000, 0.0028469000000000, 0.0020142800000000 ] - [ 0.0001761000000000, -0.0005259600000000, 0.0007255300000000 ] - [ -0.0000881600000000, -0.0013873600000000, 0.0008388100000000 ] - [ 0.0000344600000000, -0.0010379600000000, 0.0005696900000000 ] - [ 0.0010995600000000, 0.0024153800000000, -0.0010357800000000 ] - [ 0.0007485400000000, 0.0003533900000000, 0.0004296500000000 ] - [ 0.0006763400000000, -0.0010428100000000, 0.0004242400000000 ] - [ 0.0000274400000000, 0.0007157300000000, -0.0005160600000000 ] - [ -0.0047496400000000, 0.0044239800000000, 0.0043108400000000 ] - [ 0.0002204100000000, -0.0002116400000000, -0.0007001200000000 ] - [ -0.0001987700000000, -0.0011573000000000, -0.0006594100000000 ] - [ -0.0002497900000000, -0.0010396800000000, -0.0007554300000000 ] - [ -0.0024875300000000, -0.0346477400000000, -0.0132922300000000 ] - [ 0.0000359500000000, 0.0011885200000000, -0.0003963100000000 ] - [ -0.0007760800000000, -0.0006504100000000, -0.0012068600000000 ] - [ -0.0006653600000000, -0.0000729500000000, -0.0008087500000000 ] - [ -0.0018345100000000, 0.0042922100000000, 0.0031344000000000 ] - [ 0.0004547000000000, 0.0003822100000000, -0.0002809000000000 ] - [ 0.0001050300000000, -0.0003479400000000, -0.0001870700000000 ] - [ 0.0004352700000000, -0.0001934200000000, -0.0006568400000000 ] - [ -0.0060791400000000, -0.0008495300000000, -0.0016699400000000 ] - [ -0.0008096900000000, 0.0013961400000000, 0.0000001100000000 ] - [ -0.0001341900000000, -0.0002519200000000, 0.0003842500000000 ] - [ -0.0004219100000000, -0.0004935900000000, 0.0006324400000000 ] - [ -0.0009496500000000, -0.0034691200000000, -0.0004596700000000 ] - [ 0.0010285100000000, 0.0001025900000000, 0.0004837400000000 ] - [ 0.0003233600000000, -0.0007591800000000, 0.0007366700000000 ] - [ -0.0003121000000000, -0.0014172600000000, 0.0006080600000000 ] - [ -0.0009239000000000, 0.0001500700000000, 0.0012050000000000 ] - [ 0.0003828000000000, -0.0010400900000000, 0.0005137300000000 ] - [ -0.0001002000000000, -0.0023005600000000, 0.0016603400000000 ] - [ -0.0001372400000000, 0.0001688100000000, 0.0002216100000000 ] - [ 0.0008021000000000, 0.0019963500000000, 0.0008786100000000 ] - [ 0.0013157200000000, -0.0009270800000000, 0.0022308800000000 ] - [ 0.0017040800000000, -0.0010847000000000, 0.0013205600000000 ] - [ 0.0003282300000000, 0.0004048100000000, 0.0007106900000000 ]- atom: 57 displacement: [ 0.0049044182890843, 0.0000000000000000, -0.0087147393102545 ] forces: - [ -0.0017991500000000, 0.0008725700000000, 0.0022667300000000 ] - [ 0.0004058700000000, -0.0000453700000000, -0.0005011200000000 ] - [ 0.0000091700000000, -0.0007466400000000, 0.0003041600000000 ] - [ 0.0005258800000000, -0.0005793100000000, 0.0000483600000000 ] - [ 0.0012377600000000, 0.0002130300000000, -0.0016139400000000 ] - [ -0.0019187900000000, -0.0000953600000000, 0.0008145400000000 ] - [ -0.0002175400000000, -0.0008660800000000, -0.0003400700000000 ] - [ -0.0003152200000000, -0.0006388900000000, 0.0000439400000000 ] - [ -0.0001636300000000, 0.0012579100000000, 0.0031015500000000 ] - [ 0.0010301900000000, 0.0015151500000000, -0.0014714700000000 ] - [ -0.0003522300000000, -0.0001402000000000, 0.0000351300000000 ] - [ -0.0002171000000000, -0.0001842000000000, -0.0001377000000000 ] - [ 0.0013960500000000, -0.0007878100000000, -0.0009705700000000 ] - [ 0.0000125400000000, 0.0003021300000000, 0.0003773800000000 ] - [ 0.0007062900000000, -0.0007371100000000, -0.0012936400000000 ] - [ 0.0004426000000000, 0.0002476700000000, 0.0004361400000000 ] - [ 0.0097313300000000, -0.0016498300000000, -0.0084668200000000 ] - [ 0.0001864300000000, 0.0000534100000000, -0.0001501800000000 ] - [ 0.0000128200000000, -0.0007685400000000, -0.0003865400000000 ] - [ -0.0000089700000000, -0.0006053400000000, -0.0002676000000000 ] - [ 0.0032468600000000, 0.0029084500000000, -0.0067206400000000 ] - [ -0.0000206500000000, 0.0006402300000000, 0.0008032400000000 ] - [ -0.0000038100000000, -0.0004358900000000, -0.0000086500000000 ] - [ -0.0001433100000000, 0.0000831900000000, 0.0002749100000000 ] - [ -0.0004644900000000, -0.0012481400000000, 0.0008806000000000 ] - [ 0.0003052200000000, -0.0004293500000000, 0.0001359700000000 ] - [ -0.0008368100000000, 0.0001034600000000, 0.0006410800000000 ] - [ -0.0001857700000000, -0.0003094700000000, -0.0000546900000000 ] - [ -0.0021932000000000, -0.0037934300000000, 0.0025946800000000 ] - [ 0.0001994300000000, 0.0005779200000000, -0.0002314500000000 ] - [ -0.0001218300000000, 0.0002122100000000, -0.0002573900000000 ] - [ 0.0002013200000000, -0.0000709500000000, -0.0001706500000000 ] - [ 0.0576458400000000, 0.1293613900000000, -0.1696760400000000 ] - [ 0.0002737700000000, 0.0012658200000000, 0.0014015800000000 ] - [ -0.0010941700000000, -0.0009352100000000, 0.0008635400000000 ] - [ -0.0006022800000000, -0.0003808300000000, 0.0010987800000000 ] - [ -0.0029663500000000, -0.0047068200000000, -0.0029680200000000 ] - [ 0.0007187600000000, 0.0009406200000000, -0.0018865600000000 ] - [ 0.0002062300000000, -0.0008898700000000, -0.0007839600000000 ] - [ -0.0002942400000000, -0.0015630000000000, -0.0009938200000000 ] - [ -0.0004764400000000, 0.0016467200000000, -0.0002455000000000 ] - [ 0.0016533900000000, -0.0012406300000000, -0.0001749400000000 ] - [ 0.0018425900000000, -0.0016503000000000, -0.0001594600000000 ] - [ 0.0003123800000000, 0.0004566600000000, -0.0007032200000000 ] - [ -0.0036134600000000, 0.0073411000000000, 0.0037763900000000 ] - [ 0.0000228900000000, -0.0004285800000000, 0.0013334300000000 ] - [ 0.0000825100000000, -0.0012999600000000, 0.0010569000000000 ] - [ -0.0000031100000000, -0.0011097900000000, 0.0007826600000000 ] - [ -0.0253254600000000, 0.0454954100000000, -0.0501830000000000 ] - [ -0.0004222100000000, 0.0003104700000000, -0.0002097200000000 ] - [ 0.0001863300000000, 0.0012301800000000, 0.0007506900000000 ] - [ -0.0000699400000000, 0.0010984600000000, 0.0004783200000000 ] - [ 0.0047712100000000, 0.0010061200000000, -0.0011053000000000 ] - [ -0.0001913600000000, -0.0009195200000000, -0.0000138700000000 ] - [ 0.0001423400000000, -0.0005670200000000, -0.0005985600000000 ] - [ 0.0002616300000000, -0.0003889600000000, -0.0003071700000000 ] - [ -0.0559957800000000, -0.2053116100000000, 0.2284808000000000 ] - [ 0.0001626300000000, -0.0008353900000000, -0.0007233600000000 ] - [ 0.0003723300000000, 0.0007264400000000, -0.0005716600000000 ] - [ 0.0003091700000000, 0.0003112800000000, -0.0006822900000000 ] - [ 0.0021229100000000, -0.0043212500000000, -0.0008513400000000 ] - [ -0.0003227800000000, -0.0009712200000000, 0.0004170300000000 ] - [ -0.0000501700000000, -0.0001202700000000, 0.0003129900000000 ] - [ -0.0001808000000000, -0.0004524400000000, 0.0005817700000000 ] - [ -0.0009518000000000, -0.0009131200000000, -0.0000950800000000 ] - [ -0.0006085100000000, 0.0011525900000000, -0.0015775100000000 ] - [ -0.0005240400000000, 0.0025394400000000, -0.0015643500000000 ] - [ 0.0001095500000000, 0.0007871500000000, -0.0006370300000000 ] - [ 0.0037892900000000, -0.0053617900000000, -0.0058730300000000 ] - [ -0.0011543000000000, -0.0007594000000000, -0.0009256600000000 ] - [ -0.0007329000000000, 0.0001813000000000, -0.0009684000000000 ] - [ -0.0006792900000000, 0.0000668400000000, -0.0008662200000000 ] - [ 0.0013270600000000, 0.0355680300000000, 0.0120434300000000 ] - [ -0.0009690200000000, -0.0002146600000000, -0.0012286100000000 ] - [ -0.0001546200000000, 0.0016217900000000, -0.0004184900000000 ] - [ -0.0002629900000000, 0.0010474000000000, -0.0008116000000000 ] - [ 0.0022386100000000, -0.0037506100000000, -0.0038980600000000 ] - [ -0.0000454500000000, 0.0001300300000000, -0.0005115700000000 ] - [ 0.0003056500000000, 0.0008562900000000, -0.0006043100000000 ] - [ -0.0000221200000000, 0.0007066100000000, -0.0001379100000000 ] - [ 0.0056960400000000, 0.0013742000000000, 0.0024281300000000 ] - [ 0.0004008300000000, -0.0008824600000000, 0.0007917800000000 ] - [ -0.0002760500000000, 0.0007634300000000, 0.0004139600000000 ] - [ 0.0000108700000000, 0.0009993000000000, 0.0001588100000000 ] - [ 0.0018733200000000, 0.0024943800000000, 0.0020730100000000 ] - [ -0.0000951900000000, -0.0010728600000000, 0.0011409800000000 ] - [ 0.0006072800000000, -0.0002117700000000, 0.0008885100000000 ] - [ 0.0012356800000000, 0.0004342000000000, 0.0010097700000000 ] - [ 0.0005117300000000, -0.0006568200000000, -0.0004022700000000 ] - [ -0.0007919600000000, 0.0005273400000000, 0.0002784100000000 ] - [ -0.0003093000000000, 0.0017985700000000, -0.0008692500000000 ] - [ -0.0002771100000000, -0.0006809500000000, 0.0005711100000000 ] - [ 0.0001302600000000, -0.0010209600000000, 0.0007528800000000 ] - [ -0.0003769600000000, 0.0018959000000000, -0.0005959000000000 ] - [ -0.0007753100000000, 0.0020599800000000, 0.0003050200000000 ] - [ 0.0006051500000000, 0.0005671700000000, 0.0009170800000000 ]- atom: 69 displacement: [ 0.0099994969313681, 0.0000000000000000, 0.0001003051322676 ] forces: - [ 0.0026084600000000, 0.0016300900000000, -0.0003474700000000 ] - [ -0.0004795100000000, -0.0002477800000000, -0.0003962300000000 ] - [ 0.0010236700000000, 0.0012178500000000, 0.0010602300000000 ] - [ -0.0003647600000000, -0.0003020100000000, -0.0003562200000000 ] - [ -0.0015359100000000, -0.0008714300000000, -0.0025698500000000 ] - [ 0.0017131500000000, -0.0016574000000000, -0.0003946400000000 ] - [ -0.0004296300000000, -0.0000216100000000, -0.0002524200000000 ] - [ -0.0000641400000000, 0.0001921600000000, -0.0000213400000000 ] - [ -0.0025421600000000, -0.0007043400000000, -0.0001340500000000 ] - [ 0.0025547300000000, -0.0001231100000000, -0.0006127500000000 ] - [ -0.0005771600000000, 0.0008230100000000, -0.0001527600000000 ] - [ -0.0000993400000000, 0.0005993600000000, 0.0001071000000000 ] - [ 0.0008818900000000, 0.0011732700000000, 0.0007229400000000 ] - [ -0.0002336900000000, 0.0005346300000000, -0.0002172200000000 ] - [ 0.0024783500000000, -0.0002860100000000, 0.0007372500000000 ] - [ -0.0006365500000000, 0.0001479300000000, -0.0004319100000000 ] - [ 0.0081479900000000, -0.0013259900000000, 0.0032852000000000 ] - [ -0.0007183400000000, -0.0004311600000000, -0.0005786600000000 ] - [ 0.0004639300000000, 0.0003796900000000, -0.0001379200000000 ] - [ -0.0000769400000000, -0.0001777000000000, -0.0002777700000000 ] - [ 0.0004412400000000, 0.0000101200000000, 0.0004215300000000 ] - [ -0.0010816200000000, 0.0011787800000000, -0.0009994400000000 ] - [ 0.0001492000000000, 0.0008320100000000, 0.0002340000000000 ] - [ 0.0000151800000000, 0.0001122700000000, 0.0001232500000000 ] - [ -0.0000389300000000, -0.0004155400000000, 0.0004101900000000 ] - [ -0.0003729300000000, 0.0002252200000000, 0.0002077100000000 ] - [ -0.0035181600000000, 0.0026206300000000, 0.0003494400000000 ] - [ -0.0005101600000000, -0.0009904900000000, 0.0003952600000000 ] - [ -0.0017467400000000, -0.0004745800000000, 0.0017929400000000 ] - [ -0.0008885400000000, -0.0002766000000000, -0.0007629200000000 ] - [ 0.0001686300000000, 0.0005566800000000, -0.0001945600000000 ] - [ -0.0003345900000000, 0.0007640400000000, -0.0004567500000000 ] - [ 0.0016688200000000, -0.0026296600000000, 0.0065608500000000 ] - [ -0.0027031000000000, -0.0010396100000000, -0.0029373500000000 ] - [ 0.0003669600000000, 0.0015441500000000, 0.0011155600000000 ] - [ -0.0004797500000000, 0.0007435700000000, 0.0002880400000000 ] - [ -0.0005470600000000, -0.0016428100000000, -0.0008914600000000 ] - [ 0.0008293900000000, 0.0014763600000000, -0.0012299300000000 ] - [ 0.0004666700000000, 0.0014730300000000, -0.0026928300000000 ] - [ 0.0002686200000000, -0.0006064400000000, -0.0006922700000000 ] - [ 0.0005242900000000, 0.0003241400000000, -0.0004748200000000 ] - [ -0.0018414200000000, 0.0035602500000000, -0.0017812500000000 ] - [ -0.0007976100000000, 0.0022448800000000, -0.0009726300000000 ] - [ 0.0020898900000000, -0.0039180000000000, -0.0028155600000000 ] - [ 0.1722495100000000, -0.1292702700000000, 0.0519425300000000 ] - [ -0.0016535600000000, -0.0005159900000000, -0.0015859600000000 ] - [ -0.0004160000000000, 0.0004003900000000, 0.0014762200000000 ] - [ -0.0009062400000000, 0.0004675500000000, 0.0006275500000000 ] - [ -0.0010453200000000, 0.0017906200000000, -0.0035295200000000 ] - [ 0.0025447500000000, 0.0009925500000000, 0.0039190200000000 ] - [ -0.0003161600000000, 0.0002613100000000, 0.0002728300000000 ] - [ 0.0001308700000000, 0.0005468100000000, 0.0009681700000000 ] - [ -0.0003917900000000, 0.0007903100000000, 0.0000797700000000 ] - [ 0.0007006600000000, -0.0015443600000000, -0.0003280600000000 ] - [ 0.0006590300000000, -0.0024913500000000, 0.0005813500000000 ] - [ 0.0002128700000000, -0.0006507100000000, -0.0007401600000000 ] - [ -0.0002848600000000, 0.0010470800000000, -0.0055052100000000 ] - [ 0.0010330400000000, -0.0003666600000000, 0.0008577700000000 ] - [ -0.0002221700000000, -0.0009573100000000, -0.0003287200000000 ] - [ 0.0004041400000000, -0.0005916400000000, -0.0000397800000000 ] - [ 0.0146329800000000, -0.0371628900000000, 0.0461865400000000 ] - [ 0.0015714200000000, -0.0001506200000000, 0.0021044900000000 ] - [ -0.0002408700000000, -0.0010930600000000, 0.0002294400000000 ] - [ 0.0002116400000000, -0.0011101600000000, 0.0008404300000000 ] - [ -0.0002916500000000, 0.0006208900000000, -0.0008692900000000 ] - [ 0.0011740400000000, -0.0000945900000000, 0.0005517400000000 ] - [ 0.0003777200000000, 0.0001456200000000, -0.0005010300000000 ] - [ 0.0003254300000000, 0.0017724900000000, 0.0004211500000000 ] - [ -0.1950450800000000, 0.2002238100000000, -0.0920587500000000 ] - [ 0.0006278500000000, -0.0006433600000000, 0.0000383600000000 ] - [ -0.0006676300000000, -0.0011107700000000, -0.0009018200000000 ] - [ 0.0000114300000000, -0.0011129000000000, -0.0005649900000000 ] - [ -0.0014667900000000, 0.0016514400000000, -0.0034170200000000 ] - [ 0.0016135200000000, 0.0021708000000000, 0.0007093700000000 ] - [ -0.0009962900000000, -0.0003684000000000, -0.0011123900000000 ] - [ -0.0002102900000000, 0.0002299800000000, -0.0006304000000000 ] - [ -0.0065665400000000, -0.0365903100000000, -0.0066594700000000 ] - [ 0.0009541600000000, 0.0009258800000000, 0.0006065900000000 ] - [ 0.0000447900000000, -0.0003936800000000, -0.0008494300000000 ] - [ 0.0006106700000000, -0.0002506600000000, -0.0004022000000000 ] - [ -0.0001138800000000, 0.0017570800000000, 0.0008383000000000 ] - [ -0.0003502600000000, -0.0010547900000000, 0.0013005900000000 ] - [ -0.0004714600000000, -0.0012686500000000, 0.0016827900000000 ] - [ -0.0003535000000000, 0.0003754100000000, 0.0001524400000000 ] - [ 0.0013881800000000, 0.0002350600000000, 0.0010240300000000 ] - [ 0.0000172500000000, -0.0014350800000000, 0.0006611600000000 ] - [ 0.0013818300000000, -0.0020763000000000, 0.0015397700000000 ] - [ 0.0000173500000000, 0.0001187900000000, 0.0005862600000000 ] - [ -0.0001412700000000, -0.0003829900000000, 0.0002705500000000 ] - [ 0.0004218400000000, -0.0021354100000000, -0.0001416800000000 ] - [ 0.0014278200000000, -0.0009428800000000, -0.0003313200000000 ] - [ 0.0006840900000000, 0.0039207000000000, 0.0015412200000000 ] - [ 0.0006395200000000, 0.0007886600000000, 0.0007073400000000 ] - [ 0.0019668900000000, -0.0031975800000000, 0.0018842700000000 ] - [ 0.0012479700000000, -0.0006437000000000, 0.0011742400000000 ] - [ -0.0013740000000000, 0.0021519900000000, 0.0006924200000000 ]- atom: 69 displacement: [ -0.0099994969313681, 0.0000000000000000, -0.0001003051322676 ] forces: - [ -0.0020155300000000, -0.0022798700000000, 0.0005212800000000 ] - [ 0.0010493900000000, -0.0003902000000000, 0.0005568100000000 ] - [ -0.0004397500000000, -0.0018444800000000, -0.0008915700000000 ] - [ 0.0009346000000000, -0.0003386200000000, 0.0005188000000000 ] - [ 0.0009564200000000, 0.0002325000000000, 0.0024000800000000 ] - [ -0.0022771100000000, 0.0010227100000000, 0.0002603700000000 ] - [ -0.0001472700000000, -0.0006176400000000, 0.0000876800000000 ] - [ -0.0005092600000000, -0.0008301900000000, -0.0001419700000000 ] - [ 0.0019601900000000, 0.0013379500000000, -0.0000299300000000 ] - [ -0.0027643400000000, 0.0007252900000000, 0.0003289200000000 ] - [ -0.0000002300000000, -0.0001807600000000, -0.0000119100000000 ] - [ -0.0004750200000000, 0.0000403600000000, -0.0002698100000000 ] - [ -0.0003008200000000, -0.0005329700000000, -0.0005570700000000 ] - [ 0.0008045600000000, 0.0001069500000000, 0.0003795600000000 ] - [ -0.0018953800000000, 0.0009182000000000, -0.0005668900000000 ] - [ 0.0012058700000000, 0.0004915100000000, 0.0005912900000000 ] - [ -0.0080534600000000, 0.0006839800000000, -0.0038479600000000 ] - [ 0.0008060700000000, -0.0001719600000000, 0.0000849800000000 ] - [ -0.0003714400000000, -0.0009783500000000, -0.0003553700000000 ] - [ 0.0001683200000000, -0.0004242700000000, -0.0002152600000000 ] - [ -0.0005335500000000, 0.0005931900000000, 0.0000705500000000 ] - [ 0.0009868300000000, -0.0005718000000000, 0.0014886800000000 ] - [ -0.0002404800000000, -0.0002264400000000, 0.0002594400000000 ] - [ -0.0001057000000000, 0.0004865200000000, 0.0003686800000000 ] - [ -0.0000503700000000, -0.0001805500000000, 0.0000855200000000 ] - [ 0.0002791100000000, -0.0008176200000000, 0.0002868000000000 ] - [ 0.0034192000000000, -0.0031999900000000, 0.0001233900000000 ] - [ 0.0004124200000000, 0.0003904400000000, 0.0000994700000000 ] - [ 0.0018202900000000, 0.0010616200000000, -0.0022615900000000 ] - [ 0.0009733200000000, 0.0008676600000000, 0.0002640900000000 ] - [ -0.0000800100000000, 0.0000388900000000, -0.0003012100000000 ] - [ 0.0004264000000000, -0.0001649300000000, -0.0000392300000000 ] - [ -0.0023299800000000, 0.0034284900000000, -0.0048290400000000 ] - [ 0.0020192000000000, 0.0018140500000000, 0.0046442000000000 ] - [ -0.0010361600000000, -0.0007607200000000, 0.0006147300000000 ] - [ -0.0001934300000000, 0.0000361600000000, 0.0014369800000000 ] - [ 0.0012119900000000, 0.0008531600000000, -0.0008414000000000 ] - [ -0.0001549800000000, -0.0022493600000000, -0.0004926100000000 ] - [ 0.0002016100000000, -0.0022513600000000, 0.0009561900000000 ] - [ 0.0004034200000000, -0.0001747300000000, -0.0010341800000000 ] - [ 0.0001469100000000, 0.0004567600000000, -0.0012529000000000 ] - [ 0.0025075000000000, -0.0027694200000000, 0.0000536900000000 ] - [ 0.0014607100000000, -0.0014397000000000, -0.0007468000000000 ] - [ -0.0014092600000000, 0.0046709500000000, 0.0010679600000000 ] - [ -0.1757328200000000, 0.1360749400000000, -0.0528629000000000 ] - [ 0.0009744800000000, -0.0002646000000000, 0.0033006300000000 ] - [ -0.0002549100000000, -0.0011816500000000, 0.0002527000000000 ] - [ 0.0002324600000000, -0.0012442200000000, 0.0010989300000000 ] - [ 0.0008919700000000, -0.0002911700000000, 0.0046739900000000 ] - [ -0.0026766700000000, 0.0005037200000000, -0.0027502800000000 ] - [ 0.0001713200000000, 0.0012371900000000, 0.0008711700000000 ] - [ -0.0002768400000000, 0.0009454700000000, 0.0001812400000000 ] - [ 0.0005469100000000, -0.0022805900000000, -0.0012257700000000 ] - [ -0.0005565700000000, 0.0000367300000000, -0.0008255200000000 ] - [ -0.0005134500000000, 0.0009890500000000, -0.0017201000000000 ] - [ -0.0000679900000000, -0.0008471100000000, -0.0004076000000000 ] - [ 0.0006775100000000, -0.0015588400000000, 0.0047184300000000 ] - [ -0.0006163500000000, -0.0001448100000000, -0.0016479500000000 ] - [ 0.0006310000000000, 0.0004491600000000, -0.0004651000000000 ] - [ 0.0000092700000000, 0.0000804600000000, -0.0007553000000000 ] - [ -0.0146280100000000, 0.0361780400000000, -0.0457438800000000 ] - [ -0.0017059000000000, -0.0013422500000000, -0.0009538400000000 ] - [ 0.0000972100000000, -0.0004102200000000, 0.0009158300000000 ] - [ -0.0003576900000000, -0.0003834000000000, 0.0003089700000000 ] - [ 0.0004386000000000, 0.0008742800000000, -0.0002747700000000 ] - [ -0.0010293300000000, 0.0015948600000000, -0.0016987300000000 ] - [ -0.0002236800000000, 0.0013475000000000, -0.0006522100000000 ] - [ -0.0001805300000000, -0.0002672600000000, -0.0015582600000000 ] - [ 0.1959746400000000, -0.2093296200000000, 0.0939361200000000 ] - [ -0.0015580100000000, -0.0003225200000000, -0.0016618300000000 ] - [ -0.0002718000000000, 0.0001440500000000, -0.0007296300000000 ] - [ -0.0009453600000000, 0.0001474000000000, -0.0010603800000000 ] - [ 0.0005281200000000, -0.0006901900000000, 0.0017722200000000 ] - [ -0.0025416000000000, -0.0011980600000000, -0.0023303100000000 ] - [ 0.0000584800000000, 0.0013327700000000, -0.0005160400000000 ] - [ -0.0007241400000000, 0.0007352700000000, -0.0009951100000000 ] - [ 0.0073770400000000, 0.0371876300000000, 0.0058604900000000 ] - [ -0.0005385800000000, -0.0004138900000000, -0.0013950400000000 ] - [ 0.0003673200000000, 0.0009026300000000, 0.0000549100000000 ] - [ -0.0001965100000000, 0.0007592000000000, -0.0003934800000000 ] - [ -0.0002942900000000, -0.0012392500000000, -0.0000351300000000 ] - [ -0.0000607600000000, 0.0015583200000000, -0.0005071900000000 ] - [ 0.0000597800000000, 0.0017731600000000, -0.0008799200000000 ] - [ -0.0000586200000000, 0.0001342100000000, 0.0006383900000000 ] - [ -0.0004478200000000, -0.0011935300000000, 0.0006054600000000 ] - [ 0.0009178000000000, 0.0004667600000000, 0.0009662900000000 ] - [ -0.0004439300000000, 0.0011092600000000, 0.0000946900000000 ] - [ 0.0009181500000000, -0.0010825700000000, 0.0010361100000000 ] - [ -0.0002709500000000, -0.0001283100000000, 0.0005229600000000 ] - [ -0.0008329500000000, 0.0016225800000000, 0.0009332200000000 ] - [ -0.0018148200000000, 0.0004207600000000, 0.0011135400000000 ] - [ -0.0010858900000000, -0.0043993100000000, -0.0007352800000000 ] - [ 0.0002965000000000, 0.0001772300000000, 0.0009191900000000 ] - [ -0.0010263600000000, 0.0041467400000000, -0.0002507400000000 ] - [ -0.0003084700000000, 0.0015973600000000, 0.0004530000000000 ] - [ 0.0023022800000000, -0.0011747700000000, 0.0009404000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006634300000000, 0.0007990400000000, 0.0000053900000000 ] - [ 0.0005274700000000, 0.0000352500000000, 0.0000618900000000 ] - [ -0.0004415400000000, -0.0040883500000000, -0.0012287500000000 ] - [ 0.0007778700000000, -0.0007475400000000, 0.0003999000000000 ] - [ 0.0004926800000000, 0.0011426200000000, 0.0019479900000000 ] - [ -0.0007178200000000, 0.0048926600000000, 0.0010879200000000 ] - [ -0.0002613100000000, -0.0014853300000000, -0.0000874500000000 ] - [ -0.0003138700000000, -0.0016721800000000, 0.0000738500000000 ] - [ -0.0001091800000000, 0.0029649200000000, -0.0007431400000000 ] - [ 0.0016017500000000, 0.0026477700000000, -0.0004204000000000 ] - [ -0.0000866200000000, -0.0009642100000000, -0.0000189100000000 ] - [ -0.0003847500000000, -0.0008044700000000, -0.0002134700000000 ] - [ 0.0004458400000000, -0.0013716300000000, -0.0006922500000000 ] - [ 0.0003163100000000, -0.0000129700000000, 0.0002529900000000 ] - [ -0.0016383700000000, -0.0001528500000000, 0.0008449400000000 ] - [ 0.0010516200000000, 0.0004220100000000, 0.0005507200000000 ] - [ -0.0021418300000000, 0.0060883800000000, -0.0053657100000000 ] - [ 0.0007528200000000, 0.0006490600000000, 0.0002167200000000 ] - [ -0.0004012500000000, -0.0017413600000000, -0.0004280600000000 ] - [ -0.0000315800000000, -0.0009964800000000, -0.0003667900000000 ] - [ -0.0006391500000000, 0.0007091300000000, -0.0001279000000000 ] - [ 0.0017106000000000, 0.0003342700000000, 0.0015815600000000 ] - [ -0.0002201700000000, -0.0008451700000000, 0.0000918500000000 ] - [ -0.0003427400000000, -0.0002955100000000, 0.0000688000000000 ] - [ -0.0003493500000000, -0.0016236300000000, 0.0002591100000000 ] - [ 0.0004856300000000, -0.0010673400000000, 0.0003817900000000 ] - [ 0.0040132600000000, -0.0036782600000000, 0.0035400100000000 ] - [ -0.0002618200000000, 0.0002913200000000, 0.0001913500000000 ] - [ 0.0040952300000000, 0.0045142600000000, -0.0046369500000000 ] - [ 0.0000864800000000, 0.0012179100000000, -0.0002681200000000 ] - [ -0.0001551800000000, -0.0009046600000000, -0.0000630200000000 ] - [ 0.0004619800000000, -0.0006244200000000, 0.0000193100000000 ] - [ 0.0012775700000000, 0.0081338600000000, -0.0005381500000000 ] - [ 0.0015723200000000, 0.0031439300000000, 0.0022717200000000 ] - [ -0.0016402300000000, -0.0023997200000000, 0.0009639100000000 ] - [ -0.0008587500000000, -0.0013277600000000, 0.0014859100000000 ] - [ -0.0022095900000000, 0.0013202100000000, -0.0075112000000000 ] - [ 0.0008182600000000, -0.0013549800000000, 0.0008729500000000 ] - [ 0.0006985800000000, -0.0024846600000000, 0.0021241800000000 ] - [ -0.0005765200000000, -0.0018359800000000, -0.0012420100000000 ] - [ -0.0003989500000000, -0.0001497800000000, -0.0023963300000000 ] - [ 0.0032209200000000, -0.0042003700000000, 0.0005541100000000 ] - [ 0.0024493700000000, -0.0034062600000000, -0.0007641600000000 ] - [ -0.0011034900000000, 0.0014897700000000, -0.0015022800000000 ] - [ -0.1373074400000000, 0.2826194200000000, -0.0650584400000000 ] - [ -0.0003985000000000, 0.0012559200000000, 0.0022403100000000 ] - [ 0.0009258900000000, -0.0038376800000000, -0.0004144200000000 ] - [ 0.0005764700000000, -0.0022952100000000, 0.0007715100000000 ] - [ 0.0016300600000000, -0.0028271200000000, 0.0011133400000000 ] - [ -0.0015124100000000, -0.0005168300000000, -0.0010477000000000 ] - [ 0.0002206100000000, 0.0020249200000000, 0.0007924200000000 ] - [ -0.0000817300000000, 0.0016105700000000, 0.0003249700000000 ] - [ 0.0039390100000000, 0.0015455000000000, 0.0055876200000000 ] - [ -0.0008901200000000, -0.0004857400000000, -0.0019699700000000 ] - [ -0.0008245800000000, 0.0016831900000000, -0.0029844800000000 ] - [ 0.0004652200000000, -0.0003113400000000, -0.0000956400000000 ] - [ -0.0012491900000000, -0.0039777500000000, 0.0044046300000000 ] - [ -0.0005345300000000, -0.0015993600000000, -0.0005023900000000 ] - [ 0.0007112100000000, 0.0016982100000000, -0.0008777500000000 ] - [ 0.0003032100000000, 0.0010316500000000, -0.0009794600000000 ] - [ -0.0311513300000000, -0.0024099700000000, -0.0333746600000000 ] - [ -0.0006268000000000, -0.0018214700000000, 0.0000965300000000 ] - [ -0.0000794500000000, 0.0006546900000000, 0.0011075800000000 ] - [ -0.0003870000000000, 0.0001306800000000, 0.0004293600000000 ] - [ 0.0012529300000000, 0.0014862900000000, 0.0002458000000000 ] - [ -0.0013913200000000, 0.0018955000000000, -0.0022493900000000 ] - [ -0.0014980700000000, 0.0016309600000000, -0.0002705200000000 ] - [ 0.0004012500000000, 0.0003968300000000, -0.0001187400000000 ] - [ 0.2105678400000000, -0.3697669300000000, 0.0838882800000000 ] - [ -0.0006203300000000, -0.0017186400000000, -0.0010475800000000 ] - [ -0.0010847300000000, 0.0020242100000000, -0.0009788300000000 ] - [ -0.0010878700000000, 0.0009473400000000, -0.0010723500000000 ] - [ -0.0016298400000000, -0.0043549200000000, -0.0000914200000000 ] - [ -0.0021360000000000, -0.0017717800000000, -0.0018008400000000 ] - [ 0.0003882000000000, 0.0025510800000000, -0.0004599500000000 ] - [ -0.0002070200000000, 0.0017626500000000, -0.0008022600000000 ] - [ -0.0460454700000000, 0.0712184600000000, 0.0144257100000000 ] - [ 0.0000946600000000, -0.0010190400000000, -0.0012624400000000 ] - [ 0.0000261300000000, 0.0033120100000000, 0.0008062000000000 ] - [ -0.0002665400000000, 0.0015083200000000, -0.0000208600000000 ] - [ 0.0006176100000000, -0.0025622500000000, 0.0025860500000000 ] - [ -0.0009092800000000, 0.0006976100000000, -0.0016220400000000 ] - [ -0.0000692700000000, 0.0025988600000000, -0.0013291100000000 ] - [ 0.0001956000000000, 0.0012807900000000, 0.0005285200000000 ] - [ 0.0020249200000000, 0.0008322000000000, 0.0030246000000000 ] - [ -0.0001271600000000, 0.0002124300000000, -0.0001452200000000 ] - [ -0.0002424300000000, 0.0008294300000000, -0.0003393900000000 ] - [ 0.0014045300000000, 0.0002035800000000, 0.0015780500000000 ] - [ 0.0000227500000000, 0.0007393700000000, 0.0008388900000000 ] - [ -0.0010921200000000, 0.0024531700000000, 0.0009569500000000 ] - [ -0.0043436400000000, 0.0008024800000000, 0.0014944900000000 ] - [ 0.0007519100000000, -0.0012541500000000, 0.0002610500000000 ] - [ 0.0007576700000000, 0.0002582500000000, 0.0012364700000000 ] - [ -0.0031974400000000, 0.0046258300000000, -0.0002154700000000 ] - [ -0.0006543600000000, 0.0029456700000000, 0.0001190400000000 ] - [ 0.0021323500000000, 0.0005016300000000, 0.0010391400000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001838300000000, -0.0017228200000000, 0.0003081600000000 ] - [ 0.0000519400000000, -0.0006790500000000, 0.0001029700000000 ] - [ 0.0010103900000000, 0.0034275300000000, 0.0013828800000000 ] - [ -0.0001968600000000, 0.0001096100000000, -0.0002348900000000 ] - [ -0.0010715000000000, -0.0017808700000000, -0.0021189200000000 ] - [ 0.0001504200000000, -0.0055092800000000, -0.0011916600000000 ] - [ -0.0003146800000000, 0.0008440600000000, -0.0000751500000000 ] - [ -0.0002655100000000, 0.0010315800000000, -0.0002387900000000 ] - [ -0.0004704300000000, -0.0023238700000000, 0.0005799400000000 ] - [ -0.0021609800000000, -0.0020214000000000, 0.0002548900000000 ] - [ -0.0004886600000000, 0.0016045500000000, -0.0001433000000000 ] - [ -0.0001943000000000, 0.0014475400000000, 0.0000492800000000 ] - [ 0.0001287300000000, 0.0020126500000000, 0.0008582400000000 ] - [ 0.0002626500000000, 0.0006522200000000, -0.0000886900000000 ] - [ 0.0022115500000000, 0.0008122900000000, -0.0006858800000000 ] - [ -0.0004698900000000, 0.0002230300000000, -0.0003827600000000 ] - [ 0.0021482300000000, -0.0067800600000000, 0.0046700000000000 ] - [ -0.0006615600000000, -0.0012509800000000, -0.0007068000000000 ] - [ 0.0004881500000000, 0.0011434800000000, -0.0000593700000000 ] - [ 0.0001192800000000, 0.0003975700000000, -0.0001253000000000 ] - [ 0.0005502800000000, -0.0001158800000000, 0.0006200800000000 ] - [ -0.0018009100000000, 0.0002581600000000, -0.0010943000000000 ] - [ 0.0001342500000000, 0.0014436600000000, 0.0003970600000000 ] - [ 0.0002563300000000, 0.0008994300000000, 0.0004239700000000 ] - [ 0.0002602800000000, 0.0010297500000000, 0.0002392100000000 ] - [ -0.0005732600000000, 0.0004757300000000, 0.0001083800000000 ] - [ -0.0040909400000000, 0.0030904200000000, -0.0030031700000000 ] - [ 0.0001770500000000, -0.0008800300000000, 0.0003041200000000 ] - [ -0.0039935100000000, -0.0038771500000000, 0.0041153900000000 ] - [ 0.0000048500000000, -0.0006230600000000, -0.0002262000000000 ] - [ 0.0002484500000000, 0.0015033500000000, -0.0004345800000000 ] - [ -0.0003786400000000, 0.0012192200000000, -0.0005123700000000 ] - [ -0.0019606100000000, -0.0073665100000000, 0.0022567900000000 ] - [ -0.0022369000000000, -0.0023653100000000, -0.0005240100000000 ] - [ 0.0009662300000000, 0.0031798300000000, 0.0007603700000000 ] - [ 0.0001879000000000, 0.0021085400000000, 0.0002434400000000 ] - [ 0.0028851300000000, -0.0021124800000000, 0.0058026400000000 ] - [ -0.0001574000000000, 0.0005507400000000, -0.0025985000000000 ] - [ -0.0000139100000000, 0.0017169700000000, -0.0038388700000000 ] - [ 0.0012527600000000, 0.0010658000000000, -0.0004896600000000 ] - [ 0.0010758100000000, 0.0009260400000000, 0.0006712300000000 ] - [ -0.0025485500000000, 0.0049785200000000, -0.0022839600000000 ] - [ -0.0017631500000000, 0.0041715100000000, -0.0009558400000000 ] - [ 0.0017574100000000, -0.0006680500000000, -0.0002121900000000 ] - [ 0.1243263000000000, -0.2687196900000000, 0.0606479100000000 ] - [ -0.0002651200000000, -0.0020380800000000, -0.0005002100000000 ] - [ -0.0015970700000000, 0.0030571700000000, 0.0021440600000000 ] - [ -0.0012467700000000, 0.0015137300000000, 0.0009576300000000 ] - [ -0.0017600500000000, 0.0043207500000000, 0.0000394900000000 ] - [ 0.0013547500000000, 0.0020154500000000, 0.0021881000000000 ] - [ -0.0003607600000000, -0.0005213500000000, 0.0003648600000000 ] - [ -0.0000664300000000, -0.0001251900000000, 0.0008286300000000 ] - [ -0.0038106400000000, -0.0030575100000000, -0.0067673000000000 ] - [ 0.0010283800000000, -0.0010139600000000, 0.0008134900000000 ] - [ 0.0009636800000000, -0.0031703100000000, 0.0018074200000000 ] - [ -0.0003239100000000, -0.0011888100000000, -0.0010556500000000 ] - [ 0.0016596500000000, 0.0034798900000000, -0.0051880600000000 ] - [ 0.0009438600000000, 0.0010924500000000, -0.0003002900000000 ] - [ -0.0003025500000000, -0.0022079600000000, 0.0000900900000000 ] - [ 0.0001059000000000, -0.0015474200000000, 0.0001816100000000 ] - [ 0.0308498700000000, 0.0004740200000000, 0.0343905200000000 ] - [ 0.0004762200000000, 0.0003229900000000, 0.0010425900000000 ] - [ -0.0000598100000000, -0.0021621100000000, 0.0000431100000000 ] - [ 0.0002391700000000, -0.0016174700000000, 0.0007255600000000 ] - [ -0.0011108800000000, 0.0000100900000000, -0.0013973600000000 ] - [ 0.0015312000000000, -0.0003871300000000, 0.0010965900000000 ] - [ 0.0016234100000000, -0.0001294500000000, -0.0008759400000000 ] - [ -0.0002642300000000, 0.0010992100000000, -0.0010421200000000 ] - [ -0.1975754400000000, 0.3531886400000000, -0.0796150800000000 ] - [ -0.0003123300000000, 0.0007473000000000, -0.0005769400000000 ] - [ 0.0001566200000000, -0.0030011900000000, -0.0006499400000000 ] - [ 0.0001583700000000, -0.0019207800000000, -0.0005489100000000 ] - [ 0.0007160500000000, 0.0053328700000000, -0.0015164300000000 ] - [ 0.0012036600000000, 0.0027466500000000, 0.0001716200000000 ] - [ -0.0013150200000000, -0.0015721700000000, -0.0011614000000000 ] - [ -0.0007216700000000, -0.0007851000000000, -0.0008185900000000 ] - [ 0.0451851400000000, -0.0690373600000000, -0.0148195100000000 ] - [ 0.0003120200000000, 0.0015286200000000, 0.0004709000000000 ] - [ 0.0003851800000000, -0.0028015300000000, -0.0015979800000000 ] - [ 0.0006768800000000, -0.0009918000000000, -0.0007747000000000 ] - [ -0.0010253800000000, 0.0030910300000000, -0.0018021100000000 ] - [ 0.0005008700000000, -0.0001662300000000, 0.0024077100000000 ] - [ -0.0003456100000000, -0.0020871400000000, 0.0021241100000000 ] - [ -0.0006025100000000, -0.0007760500000000, 0.0002653500000000 ] - [ -0.0011046800000000, -0.0018093600000000, -0.0014110200000000 ] - [ 0.0010665600000000, -0.0011782300000000, 0.0017775000000000 ] - [ 0.0011682900000000, -0.0018172800000000, 0.0019572300000000 ] - [ -0.0004753000000000, -0.0011905200000000, 0.0000436700000000 ] - [ -0.0004367500000000, -0.0012510600000000, -0.0000460200000000 ] - [ 0.0006840900000000, -0.0029628400000000, -0.0001666500000000 ] - [ 0.0039073300000000, -0.0013138400000000, -0.0007087100000000 ] - [ -0.0011724700000000, 0.0007110600000000, 0.0005237400000000 ] - [ 0.0001661800000000, 0.0007230900000000, 0.0003838000000000 ] - [ 0.0041400300000000, -0.0036524500000000, 0.0018413500000000 ] - [ 0.0015770400000000, -0.0019602600000000, 0.0014980400000000 ] - [ -0.0011833700000000, 0.0004596200000000, 0.0005903700000000 ]- atom: 69 displacement: [ -0.0049044182890843, 0.0000000000000000, 0.0087147393102545 ] forces: - [ -0.0007971300000000, -0.0017832100000000, 0.0016035600000000 ] - [ 0.0002928000000000, -0.0004715700000000, -0.0000359200000000 ] - [ 0.0001961100000000, -0.0013730700000000, -0.0002949100000000 ] - [ 0.0002897000000000, -0.0002257900000000, 0.0000306200000000 ] - [ -0.0004532000000000, -0.0001070800000000, -0.0012164000000000 ] - [ -0.0010574300000000, 0.0008969200000000, 0.0012991600000000 ] - [ -0.0002384800000000, -0.0004377000000000, -0.0000823800000000 ] - [ -0.0004019200000000, -0.0003431700000000, -0.0001186000000000 ] - [ -0.0003513200000000, -0.0000828300000000, 0.0005879500000000 ] - [ -0.0025556900000000, 0.0005369800000000, 0.0015666000000000 ] - [ -0.0002190100000000, 0.0002675800000000, -0.0000417900000000 ] - [ -0.0003310400000000, 0.0002429100000000, -0.0001278100000000 ] - [ 0.0004045200000000, -0.0002857800000000, -0.0000274500000000 ] - [ 0.0002070100000000, 0.0002202800000000, 0.0001174800000000 ] - [ 0.0002875600000000, 0.0014317100000000, -0.0000042700000000 ] - [ 0.0001197600000000, 0.0004939500000000, 0.0000791800000000 ] - [ -0.0018569900000000, -0.0019857400000000, 0.0044448100000000 ] - [ -0.0000392800000000, -0.0003620200000000, -0.0004899400000000 ] - [ 0.0000436300000000, -0.0003784300000000, -0.0001540400000000 ] - [ -0.0000264300000000, -0.0003632900000000, -0.0002901700000000 ] - [ 0.0000560600000000, 0.0001675900000000, -0.0003711400000000 ] - [ -0.0004709000000000, 0.0002777600000000, 0.0005362100000000 ] - [ 0.0000446400000000, 0.0002919800000000, 0.0002396600000000 ] - [ -0.0001875600000000, 0.0002955200000000, 0.0002588900000000 ] - [ 0.0000448100000000, -0.0004648300000000, 0.0004580500000000 ] - [ -0.0000222700000000, -0.0003284800000000, 0.0001431600000000 ] - [ 0.0012223100000000, 0.0014577000000000, 0.0024782100000000 ] - [ 0.0000830000000000, -0.0000334500000000, -0.0000766000000000 ] - [ 0.0024208800000000, 0.0000076200000000, -0.0011858900000000 ] - [ -0.0000146700000000, 0.0005079000000000, -0.0001198300000000 ] - [ 0.0001890700000000, 0.0003127400000000, -0.0002482100000000 ] - [ 0.0000611100000000, 0.0002075600000000, -0.0002472300000000 ] - [ 0.0001569600000000, 0.0051362100000000, -0.0055353200000000 ] - [ -0.0005039800000000, 0.0000225400000000, 0.0009611100000000 ] - [ -0.0003802100000000, 0.0002354900000000, 0.0008552300000000 ] - [ -0.0004110000000000, 0.0002785400000000, 0.0008276200000000 ] - [ 0.0000081200000000, -0.0018699300000000, -0.0002160400000000 ] - [ 0.0003144800000000, 0.0001658500000000, -0.0021718800000000 ] - [ 0.0013713300000000, 0.0006323400000000, 0.0002857800000000 ] - [ -0.0001944500000000, -0.0008534700000000, -0.0012790400000000 ] - [ 0.0005782300000000, 0.0001911600000000, -0.0006454900000000 ] - [ 0.0007677500000000, -0.0001750100000000, -0.0008761300000000 ] - [ 0.0008082100000000, 0.0005460600000000, -0.0002756400000000 ] - [ -0.0004768500000000, 0.0019297500000000, 0.0000250800000000 ] - [ -0.0400984200000000, 0.0078875000000000, 0.0784917800000000 ] - [ -0.0005111800000000, -0.0002152100000000, 0.0007111300000000 ] - [ -0.0001941000000000, -0.0004349900000000, 0.0012118200000000 ] - [ -0.0003229800000000, -0.0005441100000000, 0.0007361700000000 ] - [ -0.0008528700000000, 0.0000570200000000, 0.0044436600000000 ] - [ 0.0001437300000000, 0.0006872100000000, 0.0000818300000000 ] - [ -0.0001416000000000, 0.0008377700000000, 0.0006125300000000 ] - [ -0.0000094400000000, 0.0007936600000000, 0.0006089500000000 ] - [ 0.0005108400000000, -0.0002597500000000, -0.0016591900000000 ] - [ 0.0001704400000000, -0.0006886600000000, 0.0004539900000000 ] - [ -0.0006892200000000, -0.0004966800000000, -0.0018734700000000 ] - [ 0.0003406000000000, -0.0007145200000000, -0.0001674400000000 ] - [ -0.0018175700000000, -0.0010866000000000, 0.0059241000000000 ] - [ 0.0003875000000000, -0.0000021500000000, -0.0005701200000000 ] - [ 0.0001818800000000, -0.0001833700000000, -0.0004027800000000 ] - [ 0.0002723500000000, -0.0002221900000000, -0.0004245600000000 ] - [ 0.0389856500000000, -0.0233317700000000, 0.0060877500000000 ] - [ -0.0002529800000000, -0.0010498500000000, 0.0012695700000000 ] - [ -0.0001941200000000, -0.0006792900000000, 0.0003036100000000 ] - [ -0.0000280400000000, -0.0006824100000000, 0.0006725700000000 ] - [ -0.0003140200000000, 0.0008059700000000, -0.0005216300000000 ] - [ -0.0000443500000000, 0.0009292700000000, -0.0007632400000000 ] - [ -0.0006331100000000, 0.0006448500000000, -0.0006787000000000 ] - [ 0.0002832200000000, 0.0005173200000000, -0.0011024400000000 ] - [ 0.0145019400000000, -0.0283071500000000, -0.0825951800000000 ] - [ -0.0002597300000000, -0.0006136500000000, -0.0006252500000000 ] - [ -0.0004429300000000, -0.0003323900000000, -0.0009642900000000 ] - [ -0.0004826500000000, -0.0004118100000000, -0.0007824800000000 ] - [ -0.0022633900000000, -0.0006957700000000, 0.0016225200000000 ] - [ -0.0001519400000000, 0.0005347500000000, -0.0008000400000000 ] - [ -0.0004706800000000, 0.0005932800000000, -0.0007555700000000 ] - [ -0.0004326100000000, 0.0006034300000000, -0.0007903400000000 ] - [ -0.0077644300000000, 0.0418146500000000, -0.0166806000000000 ] - [ 0.0002660800000000, 0.0001356800000000, -0.0002234500000000 ] - [ 0.0001581400000000, 0.0000155300000000, -0.0006455500000000 ] - [ 0.0001800700000000, 0.0003911700000000, -0.0002982800000000 ] - [ 0.0003326900000000, 0.0014321300000000, 0.0005764100000000 ] - [ 0.0001263300000000, -0.0006353000000000, 0.0015228300000000 ] - [ -0.0004703300000000, 0.0001222200000000, 0.0000689000000000 ] - [ 0.0000182800000000, 0.0004162400000000, 0.0004953900000000 ] - [ 0.0006486300000000, 0.0001689800000000, 0.0007642700000000 ] - [ 0.0004875700000000, -0.0006972800000000, 0.0013433700000000 ] - [ 0.0002061100000000, -0.0016616200000000, 0.0005207600000000 ] - [ 0.0005448900000000, 0.0000589300000000, 0.0013716400000000 ] - [ -0.0002518100000000, -0.0000962000000000, 0.0003731400000000 ] - [ -0.0003551700000000, 0.0000477900000000, 0.0005438400000000 ] - [ -0.0004894200000000, -0.0008033200000000, -0.0002496300000000 ] - [ -0.0004094200000000, -0.0018656900000000, -0.0003568500000000 ] - [ 0.0002890000000000, 0.0007129100000000, 0.0007594900000000 ] - [ 0.0006760800000000, 0.0013781000000000, 0.0002708900000000 ] - [ 0.0004046800000000, 0.0004229800000000, 0.0006575100000000 ] - [ 0.0012536100000000, -0.0001273800000000, 0.0007644300000000 ]- atom: 69 displacement: [ 0.0049044182890843, 0.0000000000000000, -0.0087147393102545 ] forces: - [ 0.0013655900000000, 0.0010720300000000, -0.0014155300000000 ] - [ 0.0002812200000000, -0.0001707900000000, 0.0001967800000000 ] - [ 0.0003892100000000, 0.0007553500000000, 0.0004682600000000 ] - [ 0.0002832100000000, -0.0004131400000000, 0.0001301400000000 ] - [ -0.0001319800000000, -0.0005438700000000, 0.0010281300000000 ] - [ 0.0005277300000000, -0.0015017800000000, -0.0013658700000000 ] - [ -0.0003397300000000, -0.0001980800000000, -0.0000819400000000 ] - [ -0.0001753200000000, -0.0002904100000000, -0.0000449700000000 ] - [ -0.0002365600000000, 0.0007071700000000, -0.0007419100000000 ] - [ 0.0021498000000000, 0.0000764000000000, -0.0017669400000000 ] - [ -0.0003608200000000, 0.0003810300000000, -0.0001224800000000 ] - [ -0.0002462600000000, 0.0004031600000000, -0.0000342800000000 ] - [ 0.0001775500000000, 0.0009357900000000, 0.0001934600000000 ] - [ 0.0003679500000000, 0.0004231200000000, 0.0000451800000000 ] - [ 0.0003100900000000, -0.0007980800000000, 0.0001699600000000 ] - [ 0.0004504400000000, 0.0001462300000000, 0.0000804000000000 ] - [ 0.0018465300000000, 0.0012362900000000, -0.0052029900000000 ] - [ 0.0001285200000000, -0.0002456200000000, -0.0000046700000000 ] - [ 0.0000480500000000, -0.0002091900000000, -0.0003347900000000 ] - [ 0.0001224700000000, -0.0002390300000000, -0.0002032600000000 ] - [ -0.0001365500000000, 0.0004365200000000, 0.0008663700000000 ] - [ 0.0003698700000000, 0.0003229100000000, -0.0000493500000000 ] - [ -0.0001377400000000, 0.0003190800000000, 0.0002499100000000 ] - [ 0.0000949700000000, 0.0003091600000000, 0.0002342000000000 ] - [ -0.0001366200000000, -0.0001308000000000, 0.0000379700000000 ] - [ -0.0000793400000000, -0.0002661000000000, 0.0003525800000000 ] - [ -0.0013633600000000, -0.0020164100000000, -0.0019894600000000 ] - [ -0.0001740800000000, -0.0005687700000000, 0.0005662100000000 ] - [ -0.0023373700000000, 0.0005549100000000, 0.0007223600000000 ] - [ 0.0000973300000000, 0.0000787800000000, -0.0003756300000000 ] - [ -0.0000976700000000, 0.0002883200000000, -0.0002456900000000 ] - [ 0.0000354700000000, 0.0003977000000000, -0.0002509000000000 ] - [ -0.0008200300000000, -0.0043913100000000, 0.0072824100000000 ] - [ -0.0001871700000000, 0.0007372800000000, 0.0007501900000000 ] - [ -0.0002850000000000, 0.0005601900000000, 0.0008725100000000 ] - [ -0.0002612100000000, 0.0005078600000000, 0.0008945700000000 ] - [ 0.0006676100000000, 0.0010829300000000, -0.0014993000000000 ] - [ 0.0003570400000000, -0.0009379300000000, 0.0004365300000000 ] - [ -0.0006954900000000, -0.0013890700000000, -0.0020304300000000 ] - [ 0.0008690600000000, 0.0000758400000000, -0.0004473600000000 ] - [ 0.0000981800000000, 0.0005945600000000, -0.0010698200000000 ] - [ -0.0001113500000000, 0.0009822900000000, -0.0008576800000000 ] - [ -0.0001487800000000, 0.0002633900000000, -0.0014482900000000 ] - [ 0.0011617000000000, -0.0011656300000000, -0.0017557300000000 ] - [ 0.0407096100000000, -0.0104707900000000, -0.0761743900000000 ] - [ -0.0001674800000000, -0.0005772800000000, 0.0009956200000000 ] - [ -0.0004830700000000, -0.0003321800000000, 0.0005227900000000 ] - [ -0.0003556600000000, -0.0002253100000000, 0.0009901500000000 ] - [ 0.0006734200000000, 0.0014641500000000, -0.0032910100000000 ] - [ -0.0002732200000000, 0.0008125500000000, 0.0010964700000000 ] - [ 0.0000012500000000, 0.0006556600000000, 0.0005497900000000 ] - [ -0.0001328000000000, 0.0006937700000000, 0.0005533100000000 ] - [ -0.0003705700000000, -0.0012268900000000, 0.0004951500000000 ] - [ -0.0000271400000000, -0.0008197800000000, -0.0016111000000000 ] - [ 0.0008314600000000, -0.0010171900000000, 0.0007208600000000 ] - [ -0.0002000800000000, -0.0007864500000000, -0.0009925800000000 ] - [ 0.0022409800000000, 0.0005674300000000, -0.0067821300000000 ] - [ 0.0000308800000000, -0.0005003800000000, -0.0002242800000000 ] - [ 0.0002229500000000, -0.0003299000000000, -0.0003875200000000 ] - [ 0.0001402800000000, -0.0002961800000000, -0.0003684200000000 ] - [ -0.0393108400000000, 0.0217312300000000, -0.0046358000000000 ] - [ 0.0001234000000000, -0.0004420700000000, -0.0001005300000000 ] - [ 0.0000562300000000, -0.0008337900000000, 0.0008529500000000 ] - [ -0.0001135800000000, -0.0008140200000000, 0.0004899600000000 ] - [ 0.0004495400000000, 0.0006837800000000, -0.0006401000000000 ] - [ 0.0001907100000000, 0.0005691900000000, -0.0003892800000000 ] - [ 0.0007809400000000, 0.0008484900000000, -0.0004860100000000 ] - [ -0.0001444700000000, 0.0009917800000000, -0.0000559300000000 ] - [ -0.0168555800000000, 0.0293528000000000, 0.0805531700000000 ] - [ -0.0006639000000000, -0.0003536500000000, -0.0009902100000000 ] - [ -0.0004878700000000, -0.0006557400000000, -0.0006640600000000 ] - [ -0.0004418100000000, -0.0005678400000000, -0.0008350200000000 ] - [ 0.0013323900000000, 0.0016975900000000, -0.0032537300000000 ] - [ -0.0007611100000000, 0.0004547100000000, -0.0008120800000000 ] - [ -0.0004643000000000, 0.0003690100000000, -0.0008669200000000 ] - [ -0.0004956600000000, 0.0003646800000000, -0.0008288700000000 ] - [ 0.0084001100000000, -0.0411925100000000, 0.0156057500000000 ] - [ 0.0001509200000000, 0.0003831500000000, -0.0005564600000000 ] - [ 0.0002547300000000, 0.0004778200000000, -0.0001543900000000 ] - [ 0.0002351700000000, 0.0001120400000000, -0.0004976100000000 ] - [ -0.0007522400000000, -0.0009063000000000, 0.0002176900000000 ] - [ -0.0005286100000000, 0.0011343000000000, -0.0007211400000000 ] - [ 0.0000574100000000, 0.0003669300000000, 0.0007451400000000 ] - [ -0.0004286300000000, 0.0000871900000000, 0.0002938600000000 ] - [ 0.0002816500000000, -0.0011410400000000, 0.0008534400000000 ] - [ 0.0004466800000000, -0.0002825800000000, 0.0002861500000000 ] - [ 0.0007331300000000, 0.0006686400000000, 0.0011134200000000 ] - [ 0.0003790400000000, -0.0010314700000000, 0.0002438900000000 ] - [ -0.0001614000000000, -0.0004205400000000, 0.0004152900000000 ] - [ -0.0000507200000000, -0.0005709000000000, 0.0002455500000000 ] - [ 0.0001085600000000, 0.0002888300000000, 0.0010302200000000 ] - [ -0.0000060400000000, 0.0013752700000000, 0.0011592700000000 ] - [ 0.0006375800000000, 0.0002604500000000, 0.0008579500000000 ] - [ 0.0002723500000000, -0.0004285500000000, 0.0013623900000000 ] - [ 0.0005328100000000, 0.0005321400000000, 0.0009680300000000 ] - [ -0.0003345600000000, 0.0011073900000000, 0.0008624200000000 ]