# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2e6d60ee-a347-48c2-bd86-161e33445329/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 Ba3Na2(CN2)4 / P2_1/c (14) / materials id 571621](https://mdr.nims.go.jp/datasets/a118d138-d80f-4fd5-b663-dd18ba58eda8) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.280828060000000, 0.000000000000000, -0.005881540000000 ] # a - [ 0.000000000000000, 9.999860860000000, 0.000000000000000 ] # b - [ -6.162787200000000, 0.000000000000000, 16.588325659999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.415034720000000, 0.319438670000000, 0.654166490000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.105608430000000, 0.127684330000000, 0.856379010000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.768058410000000, 0.310814250000000, 0.006707000000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.584965280000000, 0.680561330000000, 0.345833510000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.768058410000000, 0.189185750000000, 0.506707000000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.894391570000000, 0.627684330000000, 0.643620990000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.231941590000000, 0.689185750000000, 0.993293000000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.231941590000000, 0.810814250000000, 0.493293000000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.894391570000000, 0.872315670000000, 0.143620990000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.584965280000000, 0.819438670000000, 0.845833510000000 ] mass: 137.327000 - symbol: Ba # 11 coordinates: [ 0.415034720000000, 0.180561330000000, 0.154166490000000 ] mass: 137.327000 - symbol: Ba # 12 coordinates: [ 0.105608430000000, 0.372315670000000, 0.356379010000000 ] mass: 137.327000 - symbol: Na # 13 coordinates: [ 0.393012410000000, 0.478629230000000, 0.831037440000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.606987590000000, 0.978629230000000, 0.668962560000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.105281630000000, 0.523167070000000, 0.170112100000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.105281630000000, 0.976832930000000, 0.670112100000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.393012410000000, 0.021370770000000, 0.331037440000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.894718370000000, 0.476832930000000, 0.829887900000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.894718370000000, 0.023167070000000, 0.329887900000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.606987590000000, 0.521370770000000, 0.168962560000000 ] mass: 22.989769 - symbol: C # 21 coordinates: [ 0.560378650000000, 0.325999520000000, 0.309085730000000 ] mass: 12.010700 - symbol: C # 22 coordinates: [ 0.439621350000000, 0.825999520000000, 0.190914270000000 ] mass: 12.010700 - symbol: C # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 - symbol: C # 24 coordinates: [ 0.439621350000000, 0.674000480000000, 0.690914270000000 ] mass: 12.010700 - symbol: C # 25 coordinates: [ 0.743055740000000, 0.895317980000000, 0.497625640000000 ] mass: 12.010700 - symbol: C # 26 coordinates: [ 0.955769130000000, 0.222098920000000, 0.200055260000000 ] mass: 12.010700 - symbol: C # 27 coordinates: [ 0.955769130000000, 0.277901080000000, 0.700055260000000 ] mass: 12.010700 - symbol: C # 28 coordinates: [ 0.256944260000000, 0.104682020000000, 0.502374360000000 ] mass: 12.010700 - symbol: C # 29 coordinates: [ 0.743055740000000, 0.604682020000000, 0.997625640000000 ] mass: 12.010700 - symbol: C # 30 coordinates: [ 0.256944260000000, 0.395317980000000, 0.002374360000000 ] mass: 12.010700 - symbol: C # 31 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 - symbol: C # 32 coordinates: [ 0.044230870000000, 0.722098920000000, 0.299944740000000 ] mass: 12.010700 - symbol: C # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 - symbol: C # 34 coordinates: [ 0.044230870000000, 0.777901080000000, 0.799944740000000 ] mass: 12.010700 - symbol: C # 35 coordinates: [ 0.560378650000000, 0.174000480000000, 0.809085730000000 ] mass: 12.010700 - symbol: C # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 - symbol: N # 37 coordinates: [ 0.273893520000000, 0.378563960000000, 0.935404880000000 ] mass: 14.006700 - symbol: N # 38 coordinates: [ 0.845559800000000, 0.173753690000000, 0.675732990000000 ] mass: 14.006700 - symbol: N # 39 coordinates: [ 0.067054440000000, 0.382872280000000, 0.510892310000000 ] mass: 14.006700 - symbol: N # 40 coordinates: [ 0.609648550000000, 0.077812210000000, 0.053860190000000 ] mass: 14.006700 - symbol: N # 41 coordinates: [ 0.932945560000000, 0.617127720000000, 0.489107690000000 ] mass: 14.006700 - symbol: N # 42 coordinates: [ 0.930893550000000, 0.620440350000000, 0.272555960000000 ] mass: 14.006700 - symbol: N # 43 coordinates: [ 0.067054440000000, 0.117127720000000, 0.010892310000000 ] mass: 14.006700 - symbol: N # 44 coordinates: [ 0.556960280000000, 0.923920080000000, 0.223552790000000 ] mass: 14.006700 - symbol: N # 45 coordinates: [ 0.325918740000000, 0.775281060000000, 0.662103120000000 ] mass: 14.006700 - symbol: N # 46 coordinates: [ 0.443039720000000, 0.076079920000000, 0.776447210000000 ] mass: 14.006700 - symbol: N # 47 coordinates: [ 0.239327860000000, 0.419081020000000, 0.068860380000000 ] mass: 14.006700 - symbol: N # 48 coordinates: [ 0.069106450000000, 0.120440350000000, 0.227444040000000 ] mass: 14.006700 - symbol: N # 49 coordinates: [ 0.443039720000000, 0.423920080000000, 0.276447210000000 ] mass: 14.006700 - symbol: N # 50 coordinates: [ 0.609648550000000, 0.422187790000000, 0.553860190000000 ] mass: 14.006700 - symbol: N # 51 coordinates: [ 0.930893550000000, 0.879559650000000, 0.772555960000000 ] mass: 14.006700 - symbol: N # 52 coordinates: [ 0.932945560000000, 0.882872280000000, 0.989107690000000 ] mass: 14.006700 - symbol: N # 53 coordinates: [ 0.154440200000000, 0.826246310000000, 0.324267010000000 ] mass: 14.006700 - symbol: N # 54 coordinates: [ 0.726106480000000, 0.621436040000000, 0.064595120000000 ] mass: 14.006700 - symbol: N # 55 coordinates: [ 0.556960280000000, 0.576079920000000, 0.723552790000000 ] mass: 14.006700 - symbol: N # 56 coordinates: [ 0.674081260000000, 0.224718940000000, 0.337896880000000 ] mass: 14.006700 - symbol: N # 57 coordinates: [ 0.069106450000000, 0.379559650000000, 0.727444040000000 ] mass: 14.006700 - symbol: N # 58 coordinates: [ 0.390351450000000, 0.922187790000000, 0.946139810000000 ] mass: 14.006700 - symbol: N # 59 coordinates: [ 0.325918740000000, 0.724718940000000, 0.162103120000000 ] mass: 14.006700 - symbol: N # 60 coordinates: [ 0.674081260000000, 0.275281060000000, 0.837896880000000 ] mass: 14.006700 - symbol: N # 61 coordinates: [ 0.239327860000000, 0.080918980000000, 0.568860380000000 ] mass: 14.006700 - symbol: N # 62 coordinates: [ 0.760672140000000, 0.580918980000000, 0.931139620000000 ] mass: 14.006700 - symbol: N # 63 coordinates: [ 0.390351450000000, 0.577812210000000, 0.446139810000000 ] mass: 14.006700 - symbol: N # 64 coordinates: [ 0.845559800000000, 0.326246310000000, 0.175732990000000 ] mass: 14.006700 - symbol: N # 65 coordinates: [ 0.726106480000000, 0.878563960000000, 0.564595120000000 ] mass: 14.006700 - symbol: N # 66 coordinates: [ 0.273893520000000, 0.121436040000000, 0.435404880000000 ] mass: 14.006700 - symbol: N # 67 coordinates: [ 0.760672140000000, 0.919081020000000, 0.431139620000000 ] mass: 14.006700 - symbol: N # 68 coordinates: [ 0.154440200000000, 0.673753690000000, 0.824267010000000 ] mass: 14.006700 reciprocal_lattice: # without 2pi - [ 0.159270084610456, 0.000000000000000, 0.059170989218464 ] # a* - [ 0.000000000000000, 0.100001391419360, 0.000000000000000 ] # b* - [ 0.000056470640415, 0.000000000000000, 0.060304339150521 ] # c*unit_cell: lattice: - [ 6.280828060000000, 0.000000000000000, -0.005881540000000 ] # a - [ 0.000000000000000, 9.999860860000000, 0.000000000000000 ] # b - [ -6.162787200000000, 0.000000000000000, 16.588325659999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.415034720000000, 0.319438670000000, 0.654166490000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.105608430000000, 0.127684330000000, 0.856379010000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.768058410000000, 0.310814250000000, 0.006707000000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.584965280000000, 0.680561330000000, 0.345833510000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.768058410000000, 0.189185750000000, 0.506707000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.894391570000000, 0.627684330000000, 0.643620990000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.231941590000000, 0.689185750000000, 0.993293000000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.231941590000000, 0.810814250000000, 0.493293000000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.894391570000000, 0.872315670000000, 0.143620990000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.584965280000000, 0.819438670000000, 0.845833510000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.415034720000000, 0.180561330000000, 0.154166490000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.105608430000000, 0.372315670000000, 0.356379010000000 ] mass: 137.327000 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.393012410000000, 0.478629230000000, 0.831037440000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.606987590000000, 0.978629230000000, 0.668962560000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.105281630000000, 0.523167070000000, 0.170112100000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.105281630000000, 0.976832930000000, 0.670112100000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.393012410000000, 0.021370770000000, 0.331037440000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.894718370000000, 0.476832930000000, 0.829887900000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.894718370000000, 0.023167070000000, 0.329887900000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.606987590000000, 0.521370770000000, 0.168962560000000 ] mass: 22.989769 reduced_to: 20 - symbol: C # 21 coordinates: [ 0.560378650000000, 0.325999520000000, 0.309085730000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 22 coordinates: [ 0.439621350000000, 0.825999520000000, 0.190914270000000 ] mass: 12.010700 reduced_to: 22 - symbol: C # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 23 - symbol: C # 24 coordinates: [ 0.439621350000000, 0.674000480000000, 0.690914270000000 ] mass: 12.010700 reduced_to: 24 - symbol: C # 25 coordinates: [ 0.743055740000000, 0.895317980000000, 0.497625640000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.955769130000000, 0.222098920000000, 0.200055260000000 ] mass: 12.010700 reduced_to: 26 - symbol: C # 27 coordinates: [ 0.955769130000000, 0.277901080000000, 0.700055260000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.256944260000000, 0.104682020000000, 0.502374360000000 ] mass: 12.010700 reduced_to: 28 - symbol: C # 29 coordinates: [ 0.743055740000000, 0.604682020000000, 0.997625640000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.256944260000000, 0.395317980000000, 0.002374360000000 ] mass: 12.010700 reduced_to: 30 - symbol: C # 31 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 32 coordinates: [ 0.044230870000000, 0.722098920000000, 0.299944740000000 ] mass: 12.010700 reduced_to: 32 - symbol: C # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 34 coordinates: [ 0.044230870000000, 0.777901080000000, 0.799944740000000 ] mass: 12.010700 reduced_to: 34 - symbol: C # 35 coordinates: [ 0.560378650000000, 0.174000480000000, 0.809085730000000 ] mass: 12.010700 reduced_to: 35 - symbol: C # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 36 - symbol: N # 37 coordinates: [ 0.273893520000000, 0.378563960000000, 0.935404880000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 38 coordinates: [ 0.845559800000000, 0.173753690000000, 0.675732990000000 ] mass: 14.006700 reduced_to: 38 - symbol: N # 39 coordinates: [ 0.067054440000000, 0.382872280000000, 0.510892310000000 ] mass: 14.006700 reduced_to: 39 - symbol: N # 40 coordinates: [ 0.609648550000000, 0.077812210000000, 0.053860190000000 ] mass: 14.006700 reduced_to: 40 - symbol: N # 41 coordinates: [ 0.932945560000000, 0.617127720000000, 0.489107690000000 ] mass: 14.006700 reduced_to: 41 - symbol: N # 42 coordinates: [ 0.930893550000000, 0.620440350000000, 0.272555960000000 ] mass: 14.006700 reduced_to: 42 - symbol: N # 43 coordinates: [ 0.067054440000000, 0.117127720000000, 0.010892310000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 44 coordinates: [ 0.556960280000000, 0.923920080000000, 0.223552790000000 ] mass: 14.006700 reduced_to: 44 - symbol: N # 45 coordinates: [ 0.325918740000000, 0.775281060000000, 0.662103120000000 ] mass: 14.006700 reduced_to: 45 - symbol: N # 46 coordinates: [ 0.443039720000000, 0.076079920000000, 0.776447210000000 ] mass: 14.006700 reduced_to: 46 - symbol: N # 47 coordinates: [ 0.239327860000000, 0.419081020000000, 0.068860380000000 ] mass: 14.006700 reduced_to: 47 - symbol: N # 48 coordinates: [ 0.069106450000000, 0.120440350000000, 0.227444040000000 ] mass: 14.006700 reduced_to: 48 - symbol: N # 49 coordinates: [ 0.443039720000000, 0.423920080000000, 0.276447210000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.609648550000000, 0.422187790000000, 0.553860190000000 ] mass: 14.006700 reduced_to: 50 - symbol: N # 51 coordinates: [ 0.930893550000000, 0.879559650000000, 0.772555960000000 ] mass: 14.006700 reduced_to: 51 - symbol: N # 52 coordinates: [ 0.932945560000000, 0.882872280000000, 0.989107690000000 ] mass: 14.006700 reduced_to: 52 - symbol: N # 53 coordinates: [ 0.154440200000000, 0.826246310000000, 0.324267010000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.726106480000000, 0.621436040000000, 0.064595120000000 ] mass: 14.006700 reduced_to: 54 - symbol: N # 55 coordinates: [ 0.556960280000000, 0.576079920000000, 0.723552790000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.674081260000000, 0.224718940000000, 0.337896880000000 ] mass: 14.006700 reduced_to: 56 - symbol: N # 57 coordinates: [ 0.069106450000000, 0.379559650000000, 0.727444040000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.390351450000000, 0.922187790000000, 0.946139810000000 ] mass: 14.006700 reduced_to: 58 - symbol: N # 59 coordinates: [ 0.325918740000000, 0.724718940000000, 0.162103120000000 ] mass: 14.006700 reduced_to: 59 - symbol: N # 60 coordinates: [ 0.674081260000000, 0.275281060000000, 0.837896880000000 ] mass: 14.006700 reduced_to: 60 - symbol: N # 61 coordinates: [ 0.239327860000000, 0.080918980000000, 0.568860380000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.760672140000000, 0.580918980000000, 0.931139620000000 ] mass: 14.006700 reduced_to: 62 - symbol: N # 63 coordinates: [ 0.390351450000000, 0.577812210000000, 0.446139810000000 ] mass: 14.006700 reduced_to: 63 - symbol: N # 64 coordinates: [ 0.845559800000000, 0.326246310000000, 0.175732990000000 ] mass: 14.006700 reduced_to: 64 - symbol: N # 65 coordinates: [ 0.726106480000000, 0.878563960000000, 0.564595120000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.273893520000000, 0.121436040000000, 0.435404880000000 ] mass: 14.006700 reduced_to: 66 - symbol: N # 67 coordinates: [ 0.760672140000000, 0.919081020000000, 0.431139620000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.154440200000000, 0.673753690000000, 0.824267010000000 ] mass: 14.006700 reduced_to: 68supercell: lattice: - [ 12.561656120000000, 0.000000000000000, -0.011763080000000 ] # a - [ 0.000000000000000, 9.999860860000000, 0.000000000000000 ] # b - [ -6.162787200000000, 0.000000000000000, 16.588325659999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.207517360000000, 0.319438670000000, 0.654166490000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.707517360000000, 0.319438670000000, 0.654166490000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.052804215000000, 0.127684330000000, 0.856379010000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.552804215000000, 0.127684330000000, 0.856379010000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 5 coordinates: [ 0.384029205000000, 0.310814250000000, 0.006707000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.884029205000000, 0.310814250000000, 0.006707000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.292482640000000, 0.680561330000000, 0.345833510000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.792482640000000, 0.680561330000000, 0.345833510000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 9 coordinates: [ 0.384029205000000, 0.189185750000000, 0.506707000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.884029205000000, 0.189185750000000, 0.506707000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.447195785000000, 0.627684330000000, 0.643620990000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.947195785000000, 0.627684330000000, 0.643620990000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 13 coordinates: [ 0.115970795000000, 0.689185750000000, 0.993293000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.615970795000000, 0.689185750000000, 0.993293000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 15 coordinates: [ 0.115970795000000, 0.810814250000000, 0.493293000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.615970795000000, 0.810814250000000, 0.493293000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 17 coordinates: [ 0.447195785000000, 0.872315670000000, 0.143620990000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.947195785000000, 0.872315670000000, 0.143620990000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 19 coordinates: [ 0.292482640000000, 0.819438670000000, 0.845833510000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.792482640000000, 0.819438670000000, 0.845833510000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 21 coordinates: [ 0.207517360000000, 0.180561330000000, 0.154166490000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 22 coordinates: [ 0.707517360000000, 0.180561330000000, 0.154166490000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 23 coordinates: [ 0.052804215000000, 0.372315670000000, 0.356379010000000 ] mass: 137.327000 reduced_to: 23 - symbol: Ba # 24 coordinates: [ 0.552804215000000, 0.372315670000000, 0.356379010000000 ] mass: 137.327000 reduced_to: 23 - symbol: Na # 25 coordinates: [ 0.196506205000000, 0.478629230000000, 0.831037440000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.696506205000000, 0.478629230000000, 0.831037440000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.303493795000000, 0.978629230000000, 0.668962560000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.803493795000000, 0.978629230000000, 0.668962560000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 29 coordinates: [ 0.052640815000000, 0.523167070000000, 0.170112100000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.552640815000000, 0.523167070000000, 0.170112100000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 31 coordinates: [ 0.052640815000000, 0.976832930000000, 0.670112100000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.552640815000000, 0.976832930000000, 0.670112100000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 33 coordinates: [ 0.196506205000000, 0.021370770000000, 0.331037440000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.696506205000000, 0.021370770000000, 0.331037440000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 35 coordinates: [ 0.447359185000000, 0.476832930000000, 0.829887900000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.947359185000000, 0.476832930000000, 0.829887900000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 37 coordinates: [ 0.447359185000000, 0.023167070000000, 0.329887900000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.947359185000000, 0.023167070000000, 0.329887900000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 39 coordinates: [ 0.303493795000000, 0.521370770000000, 0.168962560000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.803493795000000, 0.521370770000000, 0.168962560000000 ] mass: 22.989769 reduced_to: 39 - symbol: C # 41 coordinates: [ 0.280189325000000, 0.325999520000000, 0.309085730000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 42 coordinates: [ 0.780189325000000, 0.325999520000000, 0.309085730000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 43 coordinates: [ 0.219810675000000, 0.825999520000000, 0.190914270000000 ] mass: 12.010700 reduced_to: 43 - symbol: C # 44 coordinates: [ 0.719810675000000, 0.825999520000000, 0.190914270000000 ] mass: 12.010700 reduced_to: 43 - symbol: C # 45 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 47 coordinates: [ 0.219810675000000, 0.674000480000000, 0.690914270000000 ] mass: 12.010700 reduced_to: 47 - symbol: C # 48 coordinates: [ 0.719810675000000, 0.674000480000000, 0.690914270000000 ] mass: 12.010700 reduced_to: 47 - symbol: C # 49 coordinates: [ 0.371527870000000, 0.895317980000000, 0.497625640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 50 coordinates: [ 0.871527870000000, 0.895317980000000, 0.497625640000000 ] mass: 12.010700 reduced_to: 49 - symbol: C # 51 coordinates: [ 0.477884565000000, 0.222098920000000, 0.200055260000000 ] mass: 12.010700 reduced_to: 51 - symbol: C # 52 coordinates: [ 0.977884565000000, 0.222098920000000, 0.200055260000000 ] mass: 12.010700 reduced_to: 51 - symbol: C # 53 coordinates: [ 0.477884565000000, 0.277901080000000, 0.700055260000000 ] mass: 12.010700 reduced_to: 53 - symbol: C # 54 coordinates: [ 0.977884565000000, 0.277901080000000, 0.700055260000000 ] mass: 12.010700 reduced_to: 53 - symbol: C # 55 coordinates: [ 0.128472130000000, 0.104682020000000, 0.502374360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 56 coordinates: [ 0.628472130000000, 0.104682020000000, 0.502374360000000 ] mass: 12.010700 reduced_to: 55 - symbol: C # 57 coordinates: [ 0.371527870000000, 0.604682020000000, 0.997625640000000 ] mass: 12.010700 reduced_to: 57 - symbol: C # 58 coordinates: [ 0.871527870000000, 0.604682020000000, 0.997625640000000 ] mass: 12.010700 reduced_to: 57 - symbol: C # 59 coordinates: [ 0.128472130000000, 0.395317980000000, 0.002374360000000 ] mass: 12.010700 reduced_to: 59 - symbol: C # 60 coordinates: [ 0.628472130000000, 0.395317980000000, 0.002374360000000 ] mass: 12.010700 reduced_to: 59 - symbol: C # 61 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 62 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 61 - symbol: C # 63 coordinates: [ 0.022115435000000, 0.722098920000000, 0.299944740000000 ] mass: 12.010700 reduced_to: 63 - symbol: C # 64 coordinates: [ 0.522115435000000, 0.722098920000000, 0.299944740000000 ] mass: 12.010700 reduced_to: 63 - symbol: C # 65 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 65 - symbol: C # 66 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 65 - symbol: C # 67 coordinates: [ 0.022115435000000, 0.777901080000000, 0.799944740000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 68 coordinates: [ 0.522115435000000, 0.777901080000000, 0.799944740000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 69 coordinates: [ 0.280189325000000, 0.174000480000000, 0.809085730000000 ] mass: 12.010700 reduced_to: 69 - symbol: C # 70 coordinates: [ 0.780189325000000, 0.174000480000000, 0.809085730000000 ] mass: 12.010700 reduced_to: 69 - symbol: C # 71 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 71 - symbol: C # 72 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 71 - symbol: N # 73 coordinates: [ 0.136946760000000, 0.378563960000000, 0.935404880000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.636946760000000, 0.378563960000000, 0.935404880000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 75 coordinates: [ 0.422779900000000, 0.173753690000000, 0.675732990000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 76 coordinates: [ 0.922779900000000, 0.173753690000000, 0.675732990000000 ] mass: 14.006700 reduced_to: 75 - symbol: N # 77 coordinates: [ 0.033527220000000, 0.382872280000000, 0.510892310000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.533527220000000, 0.382872280000000, 0.510892310000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 79 coordinates: [ 0.304824275000000, 0.077812210000000, 0.053860190000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 80 coordinates: [ 0.804824275000000, 0.077812210000000, 0.053860190000000 ] mass: 14.006700 reduced_to: 79 - symbol: N # 81 coordinates: [ 0.466472780000000, 0.617127720000000, 0.489107690000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.966472780000000, 0.617127720000000, 0.489107690000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 83 coordinates: [ 0.465446775000000, 0.620440350000000, 0.272555960000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 84 coordinates: [ 0.965446775000000, 0.620440350000000, 0.272555960000000 ] mass: 14.006700 reduced_to: 83 - symbol: N # 85 coordinates: [ 0.033527220000000, 0.117127720000000, 0.010892310000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.533527220000000, 0.117127720000000, 0.010892310000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 87 coordinates: [ 0.278480140000000, 0.923920080000000, 0.223552790000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 88 coordinates: [ 0.778480140000000, 0.923920080000000, 0.223552790000000 ] mass: 14.006700 reduced_to: 87 - symbol: N # 89 coordinates: [ 0.162959370000000, 0.775281060000000, 0.662103120000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 90 coordinates: [ 0.662959370000000, 0.775281060000000, 0.662103120000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 91 coordinates: [ 0.221519860000000, 0.076079920000000, 0.776447210000000 ] mass: 14.006700 reduced_to: 91 - symbol: N # 92 coordinates: [ 0.721519860000000, 0.076079920000000, 0.776447210000000 ] mass: 14.006700 reduced_to: 91 - symbol: N # 93 coordinates: [ 0.119663930000000, 0.419081020000000, 0.068860380000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 94 coordinates: [ 0.619663930000000, 0.419081020000000, 0.068860380000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 95 coordinates: [ 0.034553225000000, 0.120440350000000, 0.227444040000000 ] mass: 14.006700 reduced_to: 95 - symbol: N # 96 coordinates: [ 0.534553225000000, 0.120440350000000, 0.227444040000000 ] mass: 14.006700 reduced_to: 95 - symbol: N # 97 coordinates: [ 0.221519860000000, 0.423920080000000, 0.276447210000000 ] mass: 14.006700 reduced_to: 97 - symbol: N # 98 coordinates: [ 0.721519860000000, 0.423920080000000, 0.276447210000000 ] mass: 14.006700 reduced_to: 97 - symbol: N # 99 coordinates: [ 0.304824275000000, 0.422187790000000, 0.553860190000000 ] mass: 14.006700 reduced_to: 99 - symbol: N # 100 coordinates: [ 0.804824275000000, 0.422187790000000, 0.553860190000000 ] mass: 14.006700 reduced_to: 99 - symbol: N # 101 coordinates: [ 0.465446775000000, 0.879559650000000, 0.772555960000000 ] mass: 14.006700 reduced_to: 101 - symbol: N # 102 coordinates: [ 0.965446775000000, 0.879559650000000, 0.772555960000000 ] mass: 14.006700 reduced_to: 101 - symbol: N # 103 coordinates: [ 0.466472780000000, 0.882872280000000, 0.989107690000000 ] mass: 14.006700 reduced_to: 103 - symbol: N # 104 coordinates: [ 0.966472780000000, 0.882872280000000, 0.989107690000000 ] mass: 14.006700 reduced_to: 103 - symbol: N # 105 coordinates: [ 0.077220100000000, 0.826246310000000, 0.324267010000000 ] mass: 14.006700 reduced_to: 105 - symbol: N # 106 coordinates: [ 0.577220100000000, 0.826246310000000, 0.324267010000000 ] mass: 14.006700 reduced_to: 105 - symbol: N # 107 coordinates: [ 0.363053240000000, 0.621436040000000, 0.064595120000000 ] mass: 14.006700 reduced_to: 107 - symbol: N # 108 coordinates: [ 0.863053240000000, 0.621436040000000, 0.064595120000000 ] mass: 14.006700 reduced_to: 107 - symbol: N # 109 coordinates: [ 0.278480140000000, 0.576079920000000, 0.723552790000000 ] mass: 14.006700 reduced_to: 109 - symbol: N # 110 coordinates: [ 0.778480140000000, 0.576079920000000, 0.723552790000000 ] mass: 14.006700 reduced_to: 109 - symbol: N # 111 coordinates: [ 0.337040630000000, 0.224718940000000, 0.337896880000000 ] mass: 14.006700 reduced_to: 111 - symbol: N # 112 coordinates: [ 0.837040630000000, 0.224718940000000, 0.337896880000000 ] mass: 14.006700 reduced_to: 111 - symbol: N # 113 coordinates: [ 0.034553225000000, 0.379559650000000, 0.727444040000000 ] mass: 14.006700 reduced_to: 113 - symbol: N # 114 coordinates: [ 0.534553225000000, 0.379559650000000, 0.727444040000000 ] mass: 14.006700 reduced_to: 113 - symbol: N # 115 coordinates: [ 0.195175725000000, 0.922187790000000, 0.946139810000000 ] mass: 14.006700 reduced_to: 115 - symbol: N # 116 coordinates: [ 0.695175725000000, 0.922187790000000, 0.946139810000000 ] mass: 14.006700 reduced_to: 115 - symbol: N # 117 coordinates: [ 0.162959370000000, 0.724718940000000, 0.162103120000000 ] mass: 14.006700 reduced_to: 117 - symbol: N # 118 coordinates: [ 0.662959370000000, 0.724718940000000, 0.162103120000000 ] mass: 14.006700 reduced_to: 117 - symbol: N # 119 coordinates: [ 0.337040630000000, 0.275281060000000, 0.837896880000000 ] mass: 14.006700 reduced_to: 119 - symbol: N # 120 coordinates: [ 0.837040630000000, 0.275281060000000, 0.837896880000000 ] mass: 14.006700 reduced_to: 119 - symbol: N # 121 coordinates: [ 0.119663930000000, 0.080918980000000, 0.568860380000000 ] mass: 14.006700 reduced_to: 121 - symbol: N # 122 coordinates: [ 0.619663930000000, 0.080918980000000, 0.568860380000000 ] mass: 14.006700 reduced_to: 121 - symbol: N # 123 coordinates: [ 0.380336070000000, 0.580918980000000, 0.931139620000000 ] mass: 14.006700 reduced_to: 123 - symbol: N # 124 coordinates: [ 0.880336070000000, 0.580918980000000, 0.931139620000000 ] mass: 14.006700 reduced_to: 123 - symbol: N # 125 coordinates: [ 0.195175725000000, 0.577812210000000, 0.446139810000000 ] mass: 14.006700 reduced_to: 125 - symbol: N # 126 coordinates: [ 0.695175725000000, 0.577812210000000, 0.446139810000000 ] mass: 14.006700 reduced_to: 125 - symbol: N # 127 coordinates: [ 0.422779900000000, 0.326246310000000, 0.175732990000000 ] mass: 14.006700 reduced_to: 127 - symbol: N # 128 coordinates: [ 0.922779900000000, 0.326246310000000, 0.175732990000000 ] mass: 14.006700 reduced_to: 127 - symbol: N # 129 coordinates: [ 0.363053240000000, 0.878563960000000, 0.564595120000000 ] mass: 14.006700 reduced_to: 129 - symbol: N # 130 coordinates: [ 0.863053240000000, 0.878563960000000, 0.564595120000000 ] mass: 14.006700 reduced_to: 129 - symbol: N # 131 coordinates: [ 0.136946760000000, 0.121436040000000, 0.435404880000000 ] mass: 14.006700 reduced_to: 131 - symbol: N # 132 coordinates: [ 0.636946760000000, 0.121436040000000, 0.435404880000000 ] mass: 14.006700 reduced_to: 131 - symbol: N # 133 coordinates: [ 0.380336070000000, 0.919081020000000, 0.431139620000000 ] mass: 14.006700 reduced_to: 133 - symbol: N # 134 coordinates: [ 0.880336070000000, 0.919081020000000, 0.431139620000000 ] mass: 14.006700 reduced_to: 133 - symbol: N # 135 coordinates: [ 0.077220100000000, 0.673753690000000, 0.824267010000000 ] mass: 14.006700 reduced_to: 135 - symbol: N # 136 coordinates: [ 0.577220100000000, 0.673753690000000, 0.824267010000000 ] mass: 14.006700 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0534939700000000, -0.0018672500000000, 0.0070310300000000 ] - [ 0.0061303200000000, -0.0014748700000000, -0.0001694100000000 ] - [ 0.0006365000000000, 0.0022655200000000, -0.0042668800000000 ] - [ 0.0004366500000000, -0.0009819900000000, 0.0029887400000000 ] - [ -0.0008227200000000, 0.0005454100000000, 0.0002779600000000 ] - [ 0.0003469400000000, 0.0005536000000000, 0.0005035100000000 ] - [ 0.0008607200000000, 0.0014623700000000, -0.0016797100000000 ] - [ 0.0003366300000000, 0.0004964100000000, 0.0012303200000000 ] - [ 0.0042405100000000, -0.0040327000000000, -0.0058672900000000 ] - [ 0.0041008700000000, 0.0023370900000000, 0.0065786300000000 ] - [ 0.0028011600000000, 0.0062962200000000, 0.0005309700000000 ] - [ 0.0023421600000000, -0.0042391500000000, 0.0008063100000000 ] - [ 0.0003337300000000, -0.0007067200000000, -0.0010440400000000 ] - [ 0.0001644600000000, -0.0004429700000000, 0.0001356700000000 ] - [ -0.0024148500000000, 0.0014896300000000, -0.0003041700000000 ] - [ 0.0018510800000000, 0.0005607100000000, -0.0003666200000000 ] - [ -0.0003011100000000, -0.0005506100000000, 0.0005314900000000 ] - [ -0.0002424000000000, -0.0005458100000000, 0.0005210100000000 ] - [ -0.0011487000000000, -0.0005867600000000, 0.0001959100000000 ] - [ 0.0011833000000000, -0.0006363900000000, -0.0001901000000000 ] - [ -0.0000686800000000, 0.0008258800000000, -0.0004768700000000 ] - [ -0.0000193900000000, 0.0008278700000000, 0.0006557400000000 ] - [ -0.0024016800000000, -0.0017798100000000, -0.0003539600000000 ] - [ 0.0014052500000000, -0.0003224100000000, -0.0007518500000000 ] - [ -0.0013588100000000, -0.0013382400000000, -0.0031325600000000 ] - [ 0.0010139500000000, 0.0010665300000000, 0.0011251800000000 ] - [ -0.0015139000000000, -0.0023121800000000, -0.0000275300000000 ] - [ 0.0014478200000000, 0.0015533500000000, -0.0000550100000000 ] - [ -0.0000791700000000, -0.0004123400000000, -0.0002552500000000 ] - [ 0.0000037500000000, -0.0003564600000000, 0.0001015400000000 ] - [ -0.0005245000000000, 0.0031561600000000, -0.0002364500000000 ] - [ 0.0013046700000000, -0.0006393900000000, -0.0000563100000000 ] - [ -0.0004897800000000, -0.0004669700000000, 0.0000332000000000 ] - [ 0.0001420000000000, -0.0005130300000000, 0.0003541600000000 ] - [ -0.0003842300000000, 0.0017375300000000, 0.0029589800000000 ] - [ 0.0013434800000000, -0.0002255400000000, -0.0009735500000000 ] - [ 0.0003174100000000, -0.0003699800000000, -0.0001507800000000 ] - [ -0.0001709900000000, -0.0002786600000000, 0.0003340800000000 ] - [ 0.0001719500000000, -0.0005638300000000, -0.0003483700000000 ] - [ 0.0001028900000000, -0.0005401700000000, 0.0000050900000000 ] - [ -0.0003423600000000, 0.0007326500000000, 0.0007547500000000 ] - [ 0.0003628700000000, -0.0005422200000000, 0.0010098400000000 ] - [ -0.0000034700000000, 0.0000677500000000, -0.0007765500000000 ] - [ 0.0002040000000000, 0.0004378800000000, -0.0008046600000000 ] - [ 0.0030347900000000, -0.0082649700000000, 0.0022039700000000 ] - [ 0.0002067200000000, 0.0001915200000000, -0.0001075500000000 ] - [ -0.0006539600000000, 0.0019314800000000, -0.0024205800000000 ] - [ 0.0002266400000000, -0.0012744600000000, -0.0002251100000000 ] - [ 0.0002087600000000, 0.0004302700000000, -0.0016396600000000 ] - [ -0.0010992200000000, -0.0003217400000000, 0.0006855000000000 ] - [ 0.0002374200000000, -0.0002633500000000, -0.0003342400000000 ] - [ 0.0001812200000000, -0.0001607900000000, -0.0004008500000000 ] - [ 0.0109700400000000, 0.0039469100000000, 0.0040340300000000 ] - [ 0.0106867500000000, 0.0079528600000000, 0.0008343600000000 ] - [ -0.0016019900000000, -0.0010108800000000, 0.0049776500000000 ] - [ 0.0007123000000000, 0.0001740300000000, -0.0008931000000000 ] - [ -0.0004771200000000, -0.0000535500000000, -0.0003063800000000 ] - [ -0.0004919500000000, -0.0000687700000000, -0.0005657500000000 ] - [ 0.0012246400000000, -0.0001910300000000, -0.0006874800000000 ] - [ -0.0001435400000000, 0.0002645500000000, 0.0013633300000000 ] - [ -0.0001822400000000, -0.0005245500000000, -0.0004780400000000 ] - [ 0.0001652400000000, 0.0004689000000000, 0.0004379600000000 ] - [ -0.0004515200000000, -0.0006139300000000, 0.0000388100000000 ] - [ -0.0000666900000000, 0.0002489100000000, 0.0005946700000000 ] - [ 0.0000914400000000, 0.0003769500000000, 0.0001502100000000 ] - [ -0.0000689300000000, -0.0002916500000000, -0.0001326200000000 ] - [ -0.0003226400000000, 0.0002315500000000, 0.0006715200000000 ] - [ -0.0000880800000000, 0.0001464500000000, 0.0001008900000000 ] - [ -0.0046094300000000, -0.0056959400000000, -0.0024229500000000 ] - [ 0.0004035000000000, 0.0009840400000000, 0.0014210600000000 ] - [ -0.0027162800000000, 0.0086277400000000, -0.0102682400000000 ] - [ 0.0005906000000000, -0.0015555000000000, 0.0018141700000000 ] - [ -0.0000375100000000, 0.0002354300000000, 0.0010318000000000 ] - [ 0.0000880000000000, -0.0000936700000000, -0.0016897700000000 ] - [ 0.0012744300000000, -0.0023200700000000, -0.0017428600000000 ] - [ -0.0070303800000000, -0.0056999200000000, -0.0013210300000000 ] - [ 0.0050737600000000, 0.0006185600000000, 0.0023902700000000 ] - [ -0.0015541100000000, -0.0008454600000000, 0.0000279100000000 ] - [ 0.0007372900000000, 0.0004413400000000, 0.0006347300000000 ] - [ 0.0004134700000000, -0.0000907200000000, -0.0001037600000000 ] - [ -0.0009811400000000, 0.0002130500000000, 0.0009135100000000 ] - [ -0.0007865100000000, 0.0060097400000000, -0.0010430000000000 ] - [ -0.0005153700000000, -0.0007476400000000, -0.0000350900000000 ] - [ 0.0004698300000000, -0.0002956600000000, -0.0000128400000000 ] - [ -0.0003348600000000, 0.0003592600000000, 0.0000673400000000 ] - [ 0.0003210700000000, 0.0007090600000000, -0.0007766000000000 ] - [ 0.0000878300000000, -0.0006654700000000, 0.0005496900000000 ] - [ 0.0000289100000000, -0.0007102800000000, 0.0000157800000000 ] - [ 0.0015811500000000, -0.0014858600000000, 0.0019903300000000 ] - [ -0.0013593600000000, 0.0009261100000000, 0.0002709800000000 ] - [ 0.0041244000000000, 0.0016907600000000, 0.0028943300000000 ] - [ -0.0017194200000000, 0.0002943700000000, -0.0006853800000000 ] - [ -0.0011116700000000, -0.0000071100000000, 0.0011186600000000 ] - [ -0.0000773900000000, -0.0003102100000000, -0.0007859400000000 ] - [ 0.0001361900000000, -0.0005504300000000, 0.0000488700000000 ] - [ -0.0000481600000000, -0.0005511500000000, 0.0000129200000000 ] - [ 0.0002438900000000, -0.0006696600000000, 0.0002466200000000 ] - [ -0.0004515400000000, -0.0003296300000000, -0.0006630000000000 ] - [ 0.0139740400000000, 0.0038815600000000, -0.0066498700000000 ] - [ -0.0015022900000000, 0.0007827500000000, -0.0010415500000000 ] - [ 0.0003562900000000, 0.0009435100000000, -0.0005396000000000 ] - [ -0.0005212300000000, 0.0002198600000000, 0.0002593900000000 ] - [ 0.0002205200000000, -0.0004282900000000, 0.0003677700000000 ] - [ -0.0002195700000000, -0.0007706700000000, 0.0004051800000000 ] - [ 0.0009108900000000, -0.0000315700000000, 0.0001668000000000 ] - [ -0.0000336400000000, -0.0001567300000000, -0.0002508600000000 ] - [ 0.0000687000000000, -0.0000817200000000, 0.0003388000000000 ] - [ -0.0002002200000000, -0.0000307200000000, 0.0005433300000000 ] - [ 0.0038715400000000, 0.0011397400000000, 0.0003117300000000 ] - [ -0.0015449600000000, 0.0011476700000000, 0.0001630700000000 ] - [ 0.0001010400000000, -0.0007265900000000, 0.0002551700000000 ] - [ 0.0002133300000000, -0.0001672700000000, -0.0017274200000000 ] - [ 0.0015663000000000, -0.0031968700000000, -0.0015462500000000 ] - [ -0.0067061500000000, -0.0032707900000000, -0.0026179600000000 ] - [ -0.0001108500000000, -0.0002358200000000, 0.0003146800000000 ] - [ -0.0010125700000000, -0.0001385500000000, -0.0007460000000000 ] - [ -0.0001846600000000, -0.0004585300000000, 0.0009824600000000 ] - [ -0.0002977700000000, -0.0005901900000000, 0.0003355700000000 ] - [ 0.0047241000000000, 0.0033885500000000, -0.0004476000000000 ] - [ -0.0014222700000000, -0.0000232800000000, -0.0006680200000000 ] - [ 0.0032843600000000, 0.0008720900000000, -0.0001679300000000 ] - [ -0.0022629800000000, 0.0002931300000000, 0.0005988200000000 ] - [ 0.0010086700000000, 0.0001697900000000, -0.0001340500000000 ] - [ 0.0001700000000000, 0.0001926000000000, -0.0000356100000000 ] - [ 0.0028268300000000, -0.0061396600000000, 0.0072750200000000 ] - [ -0.0016271200000000, 0.0012275700000000, -0.0016817300000000 ] - [ -0.0004330600000000, 0.0000298500000000, 0.0001659700000000 ] - [ -0.0003745300000000, -0.0000629300000000, 0.0000642400000000 ] - [ 0.0000302200000000, 0.0000271000000000, 0.0015818000000000 ] - [ -0.0003798500000000, 0.0000250200000000, -0.0006288800000000 ] - [ 0.0024359900000000, 0.0011485800000000, -0.0033016600000000 ] - [ -0.0010223300000000, -0.0003206100000000, 0.0001538500000000 ] - [ -0.0000370900000000, -0.0000974900000000, 0.0008806800000000 ] - [ 0.0011353100000000, -0.0002545100000000, -0.0009224300000000 ] - [ 0.0007788200000000, 0.0005593100000000, 0.0006468000000000 ] - [ -0.0001274100000000, -0.0003617700000000, -0.0008799600000000 ]- atom: 1 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0530617800000000, 0.0000451000000000, -0.0063946900000000 ] - [ -0.0062107700000000, -0.0001575300000000, 0.0004198800000000 ] - [ -0.0000666200000000, -0.0011236700000000, 0.0031232600000000 ] - [ 0.0000987400000000, 0.0021323300000000, -0.0041334200000000 ] - [ 0.0003392100000000, 0.0005840700000000, 0.0005974100000000 ] - [ -0.0008320200000000, 0.0005790100000000, 0.0003919900000000 ] - [ -0.0007855900000000, 0.0001744000000000, 0.0014212600000000 ] - [ -0.0002502600000000, 0.0011381300000000, -0.0014867000000000 ] - [ -0.0047113800000000, 0.0028733400000000, 0.0067004500000000 ] - [ -0.0045910600000000, -0.0034928100000000, -0.0057445800000000 ] - [ -0.0033540100000000, -0.0050988900000000, 0.0006293700000000 ] - [ -0.0028922900000000, 0.0054412900000000, 0.0003482400000000 ] - [ 0.0001548500000000, -0.0004242500000000, 0.0001550000000000 ] - [ 0.0003169100000000, -0.0006882000000000, -0.0010255800000000 ] - [ 0.0028982700000000, -0.0003538900000000, -0.0005783200000000 ] - [ -0.0013658900000000, 0.0005716400000000, -0.0005279300000000 ] - [ -0.0002506200000000, -0.0006056600000000, 0.0006294600000000 ] - [ -0.0003091300000000, -0.0006105400000000, 0.0006461300000000 ] - [ 0.0012279600000000, -0.0010409400000000, -0.0004644700000000 ] - [ -0.0011046400000000, -0.0009999800000000, -0.0000599100000000 ] - [ -0.0000103200000000, 0.0008082100000000, 0.0007326500000000 ] - [ -0.0000609000000000, 0.0008071500000000, -0.0003999300000000 ] - [ 0.0029477100000000, 0.0006192800000000, -0.0007986700000000 ] - [ -0.0008541200000000, -0.0008340500000000, -0.0004205700000000 ] - [ 0.0011120600000000, 0.0024042700000000, 0.0034137000000000 ] - [ -0.0012895300000000, 0.0000088700000000, -0.0008306100000000 ] - [ 0.0017609700000000, 0.0033891200000000, -0.0002577800000000 ] - [ -0.0011721700000000, -0.0004937500000000, -0.0002316200000000 ] - [ -0.0000010300000000, -0.0003217500000000, 0.0001629400000000 ] - [ -0.0000838600000000, -0.0003777900000000, -0.0001961900000000 ] - [ 0.0004661800000000, -0.0024337400000000, 0.0001444500000000 ] - [ -0.0013812900000000, 0.0013680200000000, -0.0000364900000000 ] - [ 0.0002071600000000, -0.0006017600000000, 0.0002550900000000 ] - [ -0.0004197700000000, -0.0005573400000000, -0.0000708800000000 ] - [ 0.0004429900000000, -0.0009999500000000, -0.0028585800000000 ] - [ -0.0012678300000000, 0.0009635900000000, 0.0010728400000000 ] - [ -0.0002381800000000, -0.0003652500000000, 0.0002424200000000 ] - [ 0.0002549000000000, -0.0004548600000000, -0.0002376700000000 ] - [ 0.0001068700000000, -0.0005057100000000, 0.0000620600000000 ] - [ 0.0001763600000000, -0.0005293900000000, -0.0002901400000000 ] - [ 0.0001307400000000, -0.0001906300000000, 0.0008200100000000 ] - [ -0.0005719300000000, 0.0010765100000000, 0.0005682600000000 ] - [ 0.0002120800000000, 0.0004676600000000, -0.0008000100000000 ] - [ 0.0000043100000000, 0.0000966200000000, -0.0007727000000000 ] - [ -0.0030190900000000, 0.0082225600000000, -0.0022304700000000 ] - [ -0.0002124300000000, -0.0001746700000000, 0.0001062400000000 ] - [ 0.0008825600000000, -0.0025223500000000, 0.0008587500000000 ] - [ -0.0000205400000000, 0.0007432400000000, -0.0013547300000000 ] - [ -0.0012121800000000, -0.0003217600000000, 0.0008212400000000 ] - [ 0.0000977300000000, 0.0004308500000000, -0.0015106300000000 ] - [ 0.0001736300000000, -0.0001352200000000, -0.0003957600000000 ] - [ 0.0002330700000000, -0.0002427100000000, -0.0003289300000000 ] - [ -0.0103205800000000, -0.0036751500000000, -0.0047206000000000 ] - [ -0.0104863600000000, -0.0075162200000000, -0.0014589300000000 ] - [ 0.0025918400000000, 0.0009140200000000, -0.0040926600000000 ] - [ 0.0002988700000000, -0.0002790200000000, 0.0016991600000000 ] - [ -0.0005243600000000, -0.0000549500000000, -0.0005169300000000 ] - [ -0.0005160200000000, -0.0000378900000000, -0.0002468200000000 ] - [ -0.0002203000000000, 0.0002988500000000, 0.0015028800000000 ] - [ 0.0011476400000000, -0.0001564300000000, -0.0005435200000000 ] - [ 0.0001808200000000, 0.0005222700000000, 0.0004761600000000 ] - [ -0.0001649400000000, -0.0004675900000000, -0.0004373700000000 ] - [ 0.0000414800000000, 0.0002169500000000, 0.0006926400000000 ] - [ -0.0003469500000000, -0.0006508300000000, 0.0001353300000000 ] - [ -0.0000909700000000, -0.0003770000000000, -0.0001509400000000 ] - [ 0.0000691500000000, 0.0002910100000000, 0.0001328900000000 ] - [ -0.0000895100000000, 0.0001670800000000, 0.0000581300000000 ] - [ -0.0003261200000000, 0.0002609500000000, 0.0006244900000000 ] - [ 0.0044089600000000, 0.0051987400000000, 0.0039465600000000 ] - [ -0.0006113400000000, -0.0015190300000000, 0.0001547200000000 ] - [ 0.0027604800000000, -0.0086288000000000, 0.0102516700000000 ] - [ -0.0005936300000000, 0.0015694800000000, -0.0018287100000000 ] - [ 0.0001669000000000, -0.0001095400000000, -0.0018935400000000 ] - [ 0.0000506800000000, 0.0002189600000000, 0.0008266300000000 ] - [ -0.0017289100000000, 0.0022722700000000, 0.0020118200000000 ] - [ 0.0063231700000000, 0.0057781900000000, 0.0015220900000000 ] - [ -0.0051580500000000, -0.0016941900000000, -0.0033372000000000 ] - [ 0.0015330000000000, -0.0002971700000000, -0.0007848500000000 ] - [ 0.0004057900000000, -0.0000888200000000, -0.0001472800000000 ] - [ 0.0007314500000000, 0.0004431900000000, 0.0005874600000000 ] - [ 0.0010077900000000, 0.0009122600000000, -0.0001457000000000 ] - [ 0.0007964200000000, -0.0048425300000000, 0.0018188000000000 ] - [ 0.0004099600000000, -0.0003597500000000, -0.0000553600000000 ] - [ -0.0005771100000000, -0.0008121800000000, -0.0000821900000000 ] - [ 0.0003132600000000, 0.0007735800000000, -0.0008348400000000 ] - [ -0.0003381700000000, 0.0004239000000000, 0.0000126800000000 ] - [ 0.0000102300000000, -0.0006581500000000, -0.0000458000000000 ] - [ 0.0000698500000000, -0.0006117200000000, 0.0004883800000000 ] - [ -0.0020944900000000, 0.0025545000000000, -0.0007263100000000 ] - [ 0.0008694400000000, 0.0001143600000000, 0.0010073400000000 ] - [ -0.0042543700000000, -0.0003936600000000, -0.0033688600000000 ] - [ 0.0016236500000000, 0.0010293600000000, 0.0001772600000000 ] - [ -0.0000123200000000, -0.0003502900000000, -0.0009493600000000 ] - [ -0.0010435800000000, -0.0000470700000000, 0.0009529900000000 ] - [ -0.0000300600000000, -0.0005560900000000, 0.0000406900000000 ] - [ 0.0001543900000000, -0.0005569500000000, 0.0000815700000000 ] - [ -0.0003387000000000, -0.0006561000000000, -0.0007486100000000 ] - [ 0.0003516800000000, -0.0009922100000000, 0.0001599400000000 ] - [ -0.0124830800000000, -0.0039610600000000, 0.0067137100000000 ] - [ 0.0026514500000000, -0.0011482200000000, 0.0015436400000000 ] - [ -0.0004531300000000, 0.0001637500000000, 0.0004464200000000 ] - [ 0.0004108400000000, 0.0008898500000000, -0.0003539700000000 ] - [ -0.0001969200000000, -0.0007040900000000, 0.0004001200000000 ] - [ 0.0002402000000000, -0.0003626200000000, 0.0003589200000000 ] - [ -0.0001271500000000, -0.0000252600000000, -0.0003892300000000 ] - [ 0.0008161200000000, 0.0001045400000000, 0.0000349500000000 ] - [ -0.0002065000000000, -0.0000425300000000, 0.0005246200000000 ] - [ 0.0000687100000000, -0.0000956300000000, 0.0003102100000000 ] - [ -0.0037714400000000, 0.0001793600000000, 0.0001799000000000 ] - [ 0.0016421400000000, 0.0001684500000000, 0.0003400000000000 ] - [ 0.0003939000000000, -0.0003192600000000, -0.0015257500000000 ] - [ 0.0002751500000000, -0.0008764800000000, 0.0004526500000000 ] - [ -0.0018217600000000, 0.0043407200000000, 0.0017754300000000 ] - [ 0.0067404900000000, 0.0043827300000000, 0.0026867100000000 ] - [ -0.0010383100000000, -0.0001155800000000, -0.0007950500000000 ] - [ -0.0001298200000000, -0.0002136400000000, 0.0002587400000000 ] - [ -0.0003070200000000, -0.0005840600000000, 0.0002944900000000 ] - [ -0.0001937100000000, -0.0004527500000000, 0.0009412000000000 ] - [ -0.0042063900000000, -0.0023619700000000, -0.0007941900000000 ] - [ 0.0019134400000000, 0.0010685400000000, -0.0006142400000000 ] - [ -0.0043927300000000, -0.0005060200000000, 0.0003195200000000 ] - [ 0.0011367000000000, 0.0000657000000000, -0.0004200200000000 ] - [ 0.0001154500000000, 0.0001886500000000, -0.0000278400000000 ] - [ 0.0009546000000000, 0.0001640600000000, -0.0001380500000000 ] - [ -0.0039859800000000, 0.0064887900000000, -0.0077521000000000 ] - [ 0.0004834600000000, -0.0008855900000000, 0.0012098800000000 ] - [ -0.0003504900000000, -0.0000847200000000, 0.0000570300000000 ] - [ -0.0004089100000000, 0.0000107400000000, 0.0001520600000000 ] - [ -0.0001563600000000, 0.0000999300000000, -0.0007218700000000 ] - [ 0.0002392700000000, 0.0001015100000000, 0.0014947700000000 ] - [ -0.0022810300000000, -0.0012702600000000, 0.0024093100000000 ] - [ 0.0011544100000000, 0.0001942500000000, -0.0010038000000000 ] - [ 0.0011628300000000, -0.0002588000000000, -0.0010466600000000 ] - [ -0.0000182700000000, -0.0001016700000000, 0.0007565800000000 ] - [ -0.0000028900000000, -0.0005071900000000, -0.0008690400000000 ] - [ 0.0009151000000000, 0.0004090300000000, 0.0006598700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010878100000000, -0.0569899100000000, 0.0020167900000000 ] - [ -0.0006949900000000, -0.0013760400000000, 0.0007262700000000 ] - [ 0.0019209500000000, 0.0005465000000000, -0.0012049200000000 ] - [ -0.0013016500000000, 0.0015969100000000, -0.0018280200000000 ] - [ -0.0000161900000000, 0.0000638200000000, -0.0008257600000000 ] - [ -0.0003213200000000, 0.0004836500000000, 0.0003726700000000 ] - [ 0.0006809200000000, 0.0015239700000000, -0.0009876200000000 ] - [ -0.0002810300000000, 0.0012382100000000, -0.0009963900000000 ] - [ -0.0035546100000000, -0.0027820700000000, 0.0022103400000000 ] - [ 0.0027831000000000, -0.0024104000000000, 0.0023164900000000 ] - [ 0.0053345900000000, 0.0037235100000000, 0.0005192000000000 ] - [ -0.0053725300000000, 0.0022947300000000, 0.0006982600000000 ] - [ 0.0001458600000000, -0.0005053800000000, -0.0001702600000000 ] - [ 0.0003108700000000, -0.0005475500000000, -0.0002607200000000 ] - [ 0.0005224500000000, 0.0061186700000000, -0.0018062600000000 ] - [ 0.0001750700000000, 0.0010904400000000, -0.0005134200000000 ] - [ -0.0002463400000000, -0.0003679800000000, 0.0003547200000000 ] - [ -0.0002946300000000, -0.0003715600000000, 0.0004536200000000 ] - [ -0.0001862700000000, 0.0027131300000000, 0.0019595100000000 ] - [ -0.0001413600000000, -0.0005290300000000, 0.0001913900000000 ] - [ -0.0000490100000000, 0.0008085100000000, 0.0000272500000000 ] - [ -0.0000503800000000, 0.0008484400000000, -0.0000841100000000 ] - [ 0.0002649700000000, -0.0032539000000000, -0.0018863900000000 ] - [ 0.0002669400000000, -0.0009455900000000, -0.0009647700000000 ] - [ -0.0017089600000000, -0.0000808600000000, 0.0042747400000000 ] - [ -0.0002916900000000, 0.0002108000000000, 0.0000843500000000 ] - [ -0.0024056900000000, 0.0085318700000000, -0.0009733200000000 ] - [ 0.0001254700000000, 0.0008043800000000, -0.0001662000000000 ] - [ -0.0000427700000000, -0.0004336200000000, -0.0001459500000000 ] - [ -0.0000071700000000, -0.0004561600000000, -0.0001426000000000 ] - [ 0.0020870000000000, 0.0045677700000000, -0.0005579800000000 ] - [ -0.0004666700000000, 0.0009701500000000, -0.0000417100000000 ] - [ -0.0006854500000000, -0.0000886200000000, 0.0008480800000000 ] - [ -0.0001190200000000, -0.0004658300000000, 0.0001418200000000 ] - [ 0.0016713100000000, -0.0007187500000000, 0.0025345800000000 ] - [ -0.0001786000000000, 0.0001461200000000, 0.0002387600000000 ] - [ -0.0000058400000000, -0.0003053800000000, 0.0000738000000000 ] - [ 0.0006096600000000, 0.0000188000000000, 0.0006620500000000 ] - [ 0.0001361600000000, -0.0006173900000000, -0.0002118600000000 ] - [ 0.0001184100000000, -0.0006172400000000, -0.0002450500000000 ] - [ 0.0003920200000000, -0.0006061000000000, 0.0012219800000000 ] - [ -0.0000131900000000, 0.0000254600000000, 0.0009082000000000 ] - [ 0.0001977000000000, 0.0004016900000000, -0.0006955700000000 ] - [ 0.0001426400000000, 0.0003511800000000, -0.0007166900000000 ] - [ -0.0023888900000000, 0.0040303600000000, -0.0022118100000000 ] - [ 0.0005995400000000, -0.0010720400000000, 0.0002168300000000 ] - [ -0.0062711500000000, 0.0150726200000000, -0.0062253500000000 ] - [ 0.0001861400000000, -0.0004201300000000, -0.0007907600000000 ] - [ -0.0006587900000000, -0.0001629300000000, -0.0002124900000000 ] - [ -0.0001396500000000, 0.0001686800000000, -0.0012628800000000 ] - [ 0.0000743800000000, 0.0000192000000000, -0.0003789500000000 ] - [ 0.0004809400000000, -0.0006918700000000, -0.0002039300000000 ] - [ -0.0046564400000000, -0.0086722800000000, -0.0038956800000000 ] - [ -0.0012074400000000, -0.0050129100000000, -0.0030822200000000 ] - [ -0.0047589600000000, -0.0000096300000000, 0.0152412400000000 ] - [ 0.0004424400000000, -0.0001848200000000, 0.0005877900000000 ] - [ -0.0007909100000000, 0.0000994100000000, -0.0000588400000000 ] - [ -0.0005318000000000, -0.0000126500000000, -0.0003147200000000 ] - [ 0.0005246000000000, 0.0001154300000000, 0.0002015900000000 ] - [ 0.0007002600000000, 0.0000183900000000, 0.0000938400000000 ] - [ 0.0000636500000000, -0.0000259900000000, 0.0000970600000000 ] - [ -0.0000313500000000, -0.0001331400000000, -0.0000602200000000 ] - [ -0.0001132100000000, 0.0000285200000000, 0.0003624100000000 ] - [ -0.0001740400000000, -0.0000950000000000, 0.0004153200000000 ] - [ 0.0001263000000000, 0.0004218300000000, 0.0001070800000000 ] - [ 0.0002463400000000, 0.0009451600000000, 0.0001540000000000 ] - [ -0.0009076200000000, 0.0015628900000000, -0.0003591700000000 ] - [ -0.0004589300000000, 0.0008020700000000, 0.0000741600000000 ] - [ -0.0035393100000000, -0.0032090500000000, -0.0126497400000000 ] - [ -0.0001199700000000, -0.0003024400000000, 0.0007384200000000 ] - [ -0.0002503400000000, 0.0064052800000000, -0.0069980700000000 ] - [ -0.0001490000000000, 0.0003205300000000, -0.0001672200000000 ] - [ -0.0001447500000000, 0.0004238700000000, -0.0003985300000000 ] - [ 0.0001525700000000, 0.0003386200000000, -0.0000896800000000 ] - [ 0.0013473100000000, 0.0054126000000000, 0.0010627300000000 ] - [ -0.0006101800000000, 0.0037472800000000, 0.0021000700000000 ] - [ -0.0002012500000000, 0.0016427600000000, -0.0017022700000000 ] - [ -0.0002405400000000, 0.0004406500000000, -0.0004972000000000 ] - [ 0.0004440700000000, -0.0000213900000000, 0.0002711400000000 ] - [ 0.0005911100000000, 0.0001604800000000, 0.0002997200000000 ] - [ -0.0007595800000000, 0.0010245600000000, 0.0006680300000000 ] - [ 0.0008050500000000, -0.0009654600000000, 0.0016679900000000 ] - [ -0.0002049100000000, -0.0005758000000000, 0.0000541700000000 ] - [ -0.0002278400000000, -0.0007232700000000, 0.0001339800000000 ] - [ -0.0001221200000000, 0.0003038100000000, -0.0002334600000000 ] - [ -0.0000559700000000, -0.0001339500000000, 0.0000019400000000 ] - [ 0.0000474800000000, -0.0008577400000000, 0.0002833900000000 ] - [ 0.0000096900000000, -0.0007977400000000, 0.0002864900000000 ] - [ 0.0037264100000000, -0.0094252200000000, 0.0041664000000000 ] - [ -0.0006395500000000, 0.0002969400000000, 0.0005378400000000 ] - [ 0.0001249400000000, 0.0008187600000000, 0.0056166300000000 ] - [ 0.0003202700000000, 0.0005089300000000, -0.0002232100000000 ] - [ -0.0005639900000000, -0.0001364600000000, 0.0002243600000000 ] - [ -0.0006214600000000, -0.0000553500000000, 0.0003505500000000 ] - [ -0.0000160800000000, -0.0003604900000000, -0.0004075400000000 ] - [ 0.0001053100000000, -0.0006757300000000, 0.0001224100000000 ] - [ -0.0004504200000000, -0.0000374200000000, -0.0001755600000000 ] - [ -0.0001629300000000, -0.0003126600000000, -0.0002086600000000 ] - [ 0.0061764800000000, 0.0047940500000000, -0.0023130200000000 ] - [ 0.0011849300000000, 0.0004528200000000, 0.0005702700000000 ] - [ -0.0001154400000000, -0.0006678300000000, -0.0001265700000000 ] - [ 0.0002317300000000, -0.0007231000000000, 0.0000847000000000 ] - [ -0.0002321300000000, -0.0012167600000000, 0.0001136300000000 ] - [ -0.0000248000000000, -0.0008416700000000, 0.0002734600000000 ] - [ 0.0004686100000000, -0.0006331500000000, 0.0000698100000000 ] - [ 0.0004695200000000, -0.0001778900000000, -0.0000595600000000 ] - [ 0.0001458700000000, -0.0001039700000000, 0.0000583600000000 ] - [ -0.0000153600000000, -0.0000571400000000, 0.0003884500000000 ] - [ 0.0029546700000000, 0.0041383400000000, 0.0044851000000000 ] - [ 0.0005454400000000, 0.0009307200000000, 0.0000405300000000 ] - [ 0.0003727100000000, 0.0001300500000000, -0.0011076000000000 ] - [ 0.0001325800000000, -0.0001229500000000, -0.0007326400000000 ] - [ -0.0002068400000000, 0.0052202700000000, 0.0000808500000000 ] - [ 0.0013739200000000, 0.0072576500000000, 0.0017100100000000 ] - [ -0.0004816900000000, -0.0006662200000000, -0.0001996400000000 ] - [ -0.0003984300000000, -0.0004346200000000, -0.0001260200000000 ] - [ -0.0002746300000000, -0.0006545300000000, 0.0006752200000000 ] - [ -0.0002787800000000, -0.0006262500000000, 0.0007382800000000 ] - [ 0.0027149400000000, 0.0070122800000000, 0.0031286000000000 ] - [ 0.0002176300000000, 0.0006694300000000, -0.0006461600000000 ] - [ 0.0014272100000000, 0.0074416700000000, -0.0009492100000000 ] - [ -0.0002859900000000, 0.0000477400000000, -0.0000813700000000 ] - [ 0.0005342400000000, 0.0003640600000000, -0.0008804800000000 ] - [ 0.0006221000000000, 0.0002628300000000, -0.0001905800000000 ] - [ 0.0000810900000000, -0.0031993600000000, 0.0032641400000000 ] - [ -0.0003714600000000, 0.0000609100000000, -0.0000257600000000 ] - [ -0.0003841300000000, -0.0000696800000000, 0.0004649800000000 ] - [ -0.0005333000000000, 0.0003519600000000, 0.0001568600000000 ] - [ 0.0001861000000000, -0.0013973100000000, 0.0003065900000000 ] - [ -0.0002069700000000, -0.0007643200000000, 0.0009816100000000 ] - [ 0.0039660100000000, 0.0016279900000000, -0.0093317800000000 ] - [ 0.0000055200000000, -0.0000322500000000, -0.0006238600000000 ] - [ 0.0009266200000000, -0.0004305200000000, -0.0001962400000000 ] - [ -0.0000028000000000, -0.0009091500000000, 0.0002288700000000 ] - [ 0.0014551400000000, -0.0009786600000000, -0.0006764600000000 ] - [ 0.0003073400000000, -0.0007108700000000, -0.0002920700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008234300000000, 0.0554728800000000, -0.0017521100000000 ] - [ 0.0006216000000000, -0.0002620100000000, -0.0004693100000000 ] - [ -0.0013701100000000, 0.0006170900000000, 0.0000376800000000 ] - [ 0.0018586200000000, -0.0004375800000000, 0.0006661700000000 ] - [ -0.0004702900000000, 0.0010624900000000, 0.0017187800000000 ] - [ -0.0001622800000000, 0.0006445500000000, 0.0005179200000000 ] - [ -0.0006057600000000, 0.0001058100000000, 0.0007378300000000 ] - [ 0.0003619000000000, 0.0003929200000000, 0.0007476700000000 ] - [ 0.0030725800000000, 0.0016845900000000, -0.0013101700000000 ] - [ -0.0032637400000000, 0.0013113000000000, -0.0014100500000000 ] - [ -0.0058385600000000, -0.0025604300000000, 0.0006272600000000 ] - [ 0.0047776900000000, -0.0011474200000000, 0.0004512500000000 ] - [ 0.0003368600000000, -0.0006229600000000, -0.0007209000000000 ] - [ 0.0001755900000000, -0.0005803800000000, -0.0006288400000000 ] - [ -0.0000420900000000, -0.0050066500000000, 0.0008845600000000 ] - [ 0.0003110000000000, 0.0000351900000000, -0.0003807300000000 ] - [ -0.0003065600000000, -0.0007861400000000, 0.0008076600000000 ] - [ -0.0002577000000000, -0.0007832700000000, 0.0007068700000000 ] - [ 0.0002637800000000, -0.0043352700000000, -0.0021943100000000 ] - [ 0.0002212200000000, -0.0011035500000000, -0.0004438800000000 ] - [ -0.0000309500000000, 0.0008267500000000, 0.0002258700000000 ] - [ -0.0000289000000000, 0.0007869800000000, 0.0003386500000000 ] - [ 0.0002845200000000, 0.0021102700000000, 0.0007397400000000 ] - [ 0.0002856100000000, -0.0002077400000000, -0.0001938300000000 ] - [ 0.0014191200000000, 0.0011248800000000, -0.0039819100000000 ] - [ 0.0000130200000000, 0.0008543500000000, 0.0001991400000000 ] - [ 0.0027367200000000, -0.0075490300000000, 0.0007029700000000 ] - [ 0.0001545300000000, 0.0002691600000000, -0.0001187000000000 ] - [ -0.0000377300000000, -0.0003000100000000, 0.0000551500000000 ] - [ -0.0000734600000000, -0.0002778100000000, 0.0000512800000000 ] - [ -0.0022054800000000, -0.0038567900000000, 0.0004738600000000 ] - [ 0.0003901200000000, -0.0002342800000000, -0.0000505200000000 ] - [ 0.0004088400000000, -0.0009811300000000, -0.0005678800000000 ] - [ -0.0001604500000000, -0.0006019000000000, 0.0001427800000000 ] - [ -0.0015829000000000, 0.0014384600000000, -0.0024388100000000 ] - [ 0.0002617300000000, 0.0005833400000000, -0.0001504100000000 ] - [ 0.0000883400000000, -0.0004283900000000, 0.0000192500000000 ] - [ -0.0005318700000000, -0.0007538200000000, -0.0005736400000000 ] - [ 0.0001421800000000, -0.0004512600000000, -0.0000721900000000 ] - [ 0.0001608000000000, -0.0004509200000000, -0.0000392000000000 ] - [ -0.0006027600000000, 0.0011444900000000, 0.0003535800000000 ] - [ -0.0001931600000000, 0.0005057400000000, 0.0006707400000000 ] - [ 0.0000090600000000, 0.0001302100000000, -0.0008835400000000 ] - [ 0.0000647800000000, 0.0001817100000000, -0.0008621600000000 ] - [ 0.0024048600000000, -0.0041337600000000, 0.0022038700000000 ] - [ -0.0006010000000000, 0.0010672000000000, -0.0002153100000000 ] - [ 0.0065003000000000, -0.0154880200000000, 0.0047005100000000 ] - [ 0.0000240700000000, -0.0001187200000000, -0.0007851500000000 ] - [ -0.0003433200000000, 0.0002723000000000, -0.0006162500000000 ] - [ -0.0008657800000000, -0.0000622200000000, 0.0004475100000000 ] - [ 0.0003394700000000, -0.0004229600000000, -0.0003499700000000 ] - [ -0.0000697900000000, 0.0002933200000000, -0.0005265200000000 ] - [ 0.0050403800000000, 0.0090825700000000, 0.0031562900000000 ] - [ 0.0016765000000000, 0.0055014300000000, 0.0023793100000000 ] - [ 0.0057562100000000, -0.0001680000000000, -0.0145159900000000 ] - [ 0.0005635800000000, 0.0000770400000000, 0.0002275000000000 ] - [ -0.0002201400000000, -0.0002048500000000, -0.0007488200000000 ] - [ -0.0004751700000000, -0.0000942300000000, -0.0004991400000000 ] - [ 0.0004846800000000, -0.0000088000000000, 0.0006089200000000 ] - [ 0.0003071300000000, 0.0000887300000000, 0.0007186600000000 ] - [ -0.0000632000000000, 0.0000264200000000, -0.0000960900000000 ] - [ 0.0000320000000000, 0.0001345600000000, 0.0000618300000000 ] - [ -0.0003015000000000, -0.0004342500000000, 0.0003668100000000 ] - [ -0.0002397400000000, -0.0003083900000000, 0.0003133000000000 ] - [ -0.0001254300000000, -0.0004193500000000, -0.0001067300000000 ] - [ -0.0002454900000000, -0.0009403700000000, -0.0001540800000000 ] - [ 0.0004927200000000, -0.0011554500000000, 0.0010858100000000 ] - [ 0.0000470800000000, -0.0004056700000000, 0.0006564800000000 ] - [ 0.0033570300000000, 0.0027309000000000, 0.0143792800000000 ] - [ -0.0000854300000000, -0.0002268400000000, 0.0008425400000000 ] - [ 0.0003032200000000, -0.0064590800000000, 0.0070251800000000 ] - [ 0.0001513500000000, -0.0003243500000000, 0.0001720500000000 ] - [ 0.0002763400000000, -0.0002947800000000, -0.0004491100000000 ] - [ -0.0000225900000000, -0.0002099100000000, -0.0007615000000000 ] - [ -0.0020387100000000, -0.0053978600000000, -0.0008251300000000 ] - [ -0.0001812800000000, -0.0037480300000000, -0.0019015200000000 ] - [ 0.0001534900000000, -0.0027689100000000, 0.0008942300000000 ] - [ 0.0002191000000000, -0.0015727600000000, -0.0002718600000000 ] - [ 0.0007004000000000, 0.0003738300000000, 0.0002128400000000 ] - [ 0.0005533900000000, 0.0001917200000000, 0.0001841000000000 ] - [ 0.0007815600000000, 0.0001146600000000, 0.0001005500000000 ] - [ -0.0007921200000000, 0.0021669000000000, -0.0008951100000000 ] - [ 0.0001027000000000, -0.0005257700000000, -0.0001460900000000 ] - [ 0.0001285400000000, -0.0003736900000000, -0.0002253000000000 ] - [ 0.0000997100000000, 0.0008266700000000, -0.0005312800000000 ] - [ 0.0000339700000000, 0.0012664400000000, -0.0007675200000000 ] - [ 0.0000477800000000, -0.0004704800000000, 0.0002205700000000 ] - [ 0.0000868700000000, -0.0005299300000000, 0.0002175000000000 ] - [ -0.0042141500000000, 0.0104291000000000, -0.0028967500000000 ] - [ 0.0001468200000000, 0.0007427500000000, 0.0007415600000000 ] - [ -0.0002396600000000, 0.0003920300000000, -0.0060875000000000 ] - [ -0.0004173500000000, 0.0008156600000000, -0.0002790000000000 ] - [ -0.0005614900000000, -0.0002200400000000, -0.0000526200000000 ] - [ -0.0005035300000000, -0.0003014800000000, -0.0001805600000000 ] - [ 0.0001190300000000, -0.0007430000000000, 0.0005007100000000 ] - [ -0.0000049300000000, -0.0004243100000000, -0.0000329800000000 ] - [ 0.0003573800000000, -0.0012937000000000, -0.0003276400000000 ] - [ 0.0000668000000000, -0.0010155700000000, -0.0002956100000000 ] - [ -0.0049051600000000, -0.0051152100000000, 0.0026693800000000 ] - [ -0.0000433400000000, -0.0008014600000000, -0.0000875600000000 ] - [ 0.0000053800000000, 0.0017729800000000, 0.0000288800000000 ] - [ -0.0003293000000000, 0.0018183200000000, -0.0001755400000000 ] - [ 0.0002525700000000, 0.0000813100000000, 0.0006489800000000 ] - [ 0.0000460500000000, -0.0002940000000000, 0.0004910700000000 ] - [ 0.0003126400000000, 0.0005817900000000, -0.0002850600000000 ] - [ 0.0003117100000000, 0.0001259600000000, -0.0001574400000000 ] - [ -0.0002745100000000, -0.0000247800000000, 0.0007884900000000 ] - [ -0.0001151300000000, -0.0000706000000000, 0.0004617500000000 ] - [ -0.0027588700000000, -0.0022717400000000, -0.0037348500000000 ] - [ -0.0004502700000000, 0.0004047700000000, 0.0004615600000000 ] - [ 0.0001152700000000, -0.0011723700000000, -0.0001721100000000 ] - [ 0.0003558100000000, -0.0009163600000000, -0.0005511000000000 ] - [ 0.0002439300000000, -0.0041426500000000, 0.0000166800000000 ] - [ -0.0012658200000000, -0.0061523200000000, -0.0016189400000000 ] - [ -0.0006611400000000, 0.0003104500000000, -0.0002840300000000 ] - [ -0.0007457900000000, 0.0000811000000000, -0.0003583900000000 ] - [ -0.0002132000000000, -0.0003822400000000, 0.0006050700000000 ] - [ -0.0002099300000000, -0.0004114100000000, 0.0005410000000000 ] - [ -0.0022499000000000, -0.0060439600000000, -0.0044400900000000 ] - [ 0.0002674500000000, 0.0003645700000000, -0.0006329100000000 ] - [ -0.0026449100000000, -0.0075291000000000, 0.0008332500000000 ] - [ -0.0008393700000000, 0.0003075000000000, 0.0002480800000000 ] - [ 0.0005912700000000, -0.0000070300000000, 0.0007025000000000 ] - [ 0.0005013900000000, 0.0000961600000000, 0.0000228300000000 ] - [ -0.0012522600000000, 0.0035966800000000, -0.0037834500000000 ] - [ -0.0007752200000000, 0.0002953900000000, -0.0004626200000000 ] - [ -0.0003972800000000, 0.0000148100000000, -0.0002488200000000 ] - [ -0.0002471100000000, -0.0004087900000000, 0.0000603400000000 ] - [ -0.0003266600000000, 0.0015281300000000, 0.0005540600000000 ] - [ 0.0000790000000000, 0.0008913600000000, -0.0001240300000000 ] - [ -0.0038474700000000, -0.0017472700000000, 0.0085328000000000 ] - [ 0.0001249700000000, -0.0000960800000000, -0.0002290300000000 ] - [ 0.0001895300000000, 0.0000708200000000, 0.0000406300000000 ] - [ 0.0011296400000000, 0.0005533100000000, -0.0004002600000000 ] - [ -0.0006653600000000, 0.0010316500000000, 0.0004562300000000 ] - [ 0.0004698200000000, 0.0007671700000000, 0.0000723100000000 ]- atom: 1 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0246135900000000, 0.0012012700000000, -0.0643297300000000 ] - [ -0.0024750200000000, -0.0000256600000000, -0.0022035700000000 ] - [ -0.0031231000000000, -0.0004175100000000, 0.0027108900000000 ] - [ 0.0035877100000000, -0.0004409500000000, -0.0009300900000000 ] - [ -0.0002722000000000, 0.0008474400000000, 0.0042879200000000 ] - [ -0.0006004000000000, 0.0005675300000000, 0.0013540400000000 ] - [ -0.0016950200000000, -0.0002160600000000, 0.0022139400000000 ] - [ 0.0012144800000000, 0.0001090300000000, 0.0015563900000000 ] - [ -0.0074780400000000, 0.0032677400000000, 0.0032043800000000 ] - [ 0.0042855800000000, 0.0011652200000000, -0.0015674900000000 ] - [ -0.0016874200000000, -0.0023584500000000, -0.0040705800000000 ] - [ -0.0008192000000000, 0.0019415200000000, -0.0047087700000000 ] - [ -0.0004741100000000, -0.0003867900000000, 0.0005988000000000 ] - [ 0.0008856300000000, -0.0004502400000000, 0.0002387200000000 ] - [ 0.0009540600000000, -0.0007226100000000, -0.0021126700000000 ] - [ -0.0003134900000000, 0.0003340600000000, -0.0009686400000000 ] - [ -0.0001889400000000, -0.0008143700000000, 0.0024357300000000 ] - [ -0.0002715000000000, -0.0008430100000000, 0.0024395000000000 ] - [ 0.0007685300000000, -0.0028435400000000, 0.0011243600000000 ] - [ -0.0004200100000000, -0.0011759100000000, -0.0002690200000000 ] - [ -0.0005959800000000, 0.0009044000000000, 0.0022863700000000 ] - [ 0.0004479300000000, 0.0010096100000000, 0.0018492200000000 ] - [ 0.0010597400000000, 0.0001385100000000, 0.0047461700000000 ] - [ -0.0000992100000000, -0.0003910300000000, 0.0004074300000000 ] - [ -0.0028593400000000, 0.0050754700000000, 0.0059072600000000 ] - [ -0.0001821800000000, 0.0005338000000000, -0.0002366300000000 ] - [ 0.0013075100000000, 0.0010037400000000, -0.0035086600000000 ] - [ -0.0005850700000000, -0.0002105800000000, -0.0011098800000000 ] - [ -0.0002378800000000, -0.0003356700000000, 0.0009590700000000 ] - [ 0.0001583000000000, -0.0003345100000000, 0.0007776500000000 ] - [ -0.0003396300000000, -0.0011021400000000, -0.0028824000000000 ] - [ -0.0003867400000000, 0.0004566200000000, -0.0009594700000000 ] - [ -0.0005881400000000, -0.0003438900000000, 0.0011460700000000 ] - [ 0.0000205400000000, -0.0005277800000000, 0.0005495500000000 ] - [ 0.0030639400000000, 0.0024376900000000, 0.0013922200000000 ] - [ -0.0010448800000000, 0.0008819700000000, 0.0004900800000000 ] - [ -0.0002702800000000, -0.0003403600000000, 0.0005778300000000 ] - [ 0.0006448600000000, -0.0001384200000000, 0.0009246000000000 ] - [ -0.0000659400000000, -0.0005031200000000, 0.0008070600000000 ] - [ 0.0003404000000000, -0.0005043900000000, 0.0006774300000000 ] - [ 0.0000744800000000, 0.0001182900000000, 0.0005782400000000 ] - [ 0.0002696600000000, -0.0008352200000000, 0.0011717600000000 ] - [ 0.0004313700000000, 0.0008101200000000, -0.0007949100000000 ] - [ 0.0004145600000000, 0.0009664200000000, -0.0006592400000000 ] - [ 0.0034425000000000, -0.0100089200000000, 0.0029883000000000 ] - [ -0.0003473200000000, 0.0002038900000000, 0.0002758400000000 ] - [ -0.0034165600000000, 0.0051417200000000, -0.0027991300000000 ] - [ -0.0003718500000000, 0.0009882700000000, -0.0012984000000000 ] - [ -0.0004995700000000, -0.0000966200000000, -0.0003153700000000 ] - [ 0.0007181200000000, 0.0003106900000000, -0.0028113000000000 ] - [ 0.0006848600000000, -0.0009961200000000, -0.0002800200000000 ] - [ 0.0005892600000000, -0.0008706500000000, -0.0003859500000000 ] - [ -0.0023845100000000, -0.0028231600000000, -0.0020962800000000 ] - [ -0.0078504700000000, -0.0087067100000000, -0.0031034900000000 ] - [ 0.0009142400000000, 0.0043475600000000, 0.0043488500000000 ] - [ 0.0009278800000000, 0.0001050000000000, -0.0002716300000000 ] - [ -0.0017996700000000, 0.0002691900000000, 0.0018685400000000 ] - [ -0.0009688500000000, 0.0001138200000000, 0.0005313600000000 ] - [ -0.0006901100000000, 0.0004984400000000, 0.0030724600000000 ] - [ -0.0001549800000000, 0.0002764100000000, 0.0015537600000000 ] - [ 0.0006453700000000, 0.0015298500000000, 0.0012866300000000 ] - [ 0.0003636000000000, 0.0008620000000000, 0.0007442900000000 ] - [ -0.0000206200000000, -0.0000522000000000, 0.0004015200000000 ] - [ -0.0001188100000000, -0.0001287000000000, 0.0002357500000000 ] - [ -0.0001590400000000, -0.0005115600000000, -0.0003446600000000 ] - [ -0.0001759800000000, -0.0003598000000000, -0.0003394900000000 ] - [ -0.0001469000000000, 0.0004882400000000, 0.0001819900000000 ] - [ -0.0001287200000000, -0.0003253300000000, 0.0009226600000000 ] - [ -0.0011525900000000, -0.0123289600000000, 0.0143440600000000 ] - [ -0.0003842600000000, -0.0009486500000000, 0.0005917200000000 ] - [ 0.0012092200000000, -0.0097659300000000, 0.0122821200000000 ] - [ -0.0001004800000000, 0.0009765400000000, -0.0006361600000000 ] - [ 0.0014284000000000, -0.0005191900000000, -0.0028211100000000 ] - [ -0.0002255300000000, -0.0002437500000000, -0.0013072500000000 ] - [ -0.0011062700000000, 0.0008389100000000, 0.0053418500000000 ] - [ 0.0041580300000000, 0.0059981400000000, 0.0039595000000000 ] - [ 0.0001558600000000, -0.0001072600000000, 0.0076407200000000 ] - [ 0.0014981600000000, -0.0004927000000000, -0.0001461600000000 ] - [ 0.0005618000000000, -0.0003141000000000, -0.0013665200000000 ] - [ 0.0003899900000000, -0.0001250200000000, -0.0007320500000000 ] - [ 0.0010252300000000, 0.0008308200000000, 0.0005037900000000 ] - [ -0.0030229100000000, 0.0084623600000000, -0.0001874700000000 ] - [ 0.0003100900000000, -0.0005371300000000, -0.0007071800000000 ] - [ -0.0004379700000000, -0.0002759200000000, -0.0012213400000000 ] - [ 0.0004230600000000, 0.0008691600000000, -0.0013285100000000 ] - [ -0.0005821200000000, 0.0010180300000000, -0.0013013200000000 ] - [ 0.0001419300000000, -0.0006976800000000, -0.0006352900000000 ] - [ -0.0002753300000000, -0.0008479800000000, -0.0004616100000000 ] - [ 0.0021840100000000, -0.0033122900000000, 0.0045202600000000 ] - [ 0.0005338200000000, -0.0000078900000000, 0.0017283200000000 ] - [ 0.0016458700000000, 0.0083272900000000, -0.0005754800000000 ] - [ 0.0003062200000000, 0.0009696900000000, 0.0003373600000000 ] - [ 0.0003918400000000, -0.0004050600000000, -0.0022949700000000 ] - [ -0.0007221800000000, -0.0002729200000000, -0.0010095100000000 ] - [ 0.0000220200000000, -0.0004152000000000, -0.0010857500000000 ] - [ -0.0002531900000000, -0.0002462200000000, -0.0006578600000000 ] - [ 0.0004346900000000, -0.0008825700000000, -0.0013428700000000 ] - [ -0.0004464100000000, -0.0002869000000000, -0.0010751200000000 ] - [ -0.0123991200000000, -0.0047408500000000, 0.0113926800000000 ] - [ 0.0001640000000000, -0.0004508200000000, 0.0021255400000000 ] - [ -0.0010412400000000, 0.0011536600000000, 0.0006299800000000 ] - [ 0.0008766500000000, 0.0009038500000000, 0.0004591300000000 ] - [ -0.0002031300000000, -0.0002517500000000, -0.0001995200000000 ] - [ 0.0003847400000000, -0.0002523100000000, 0.0000562900000000 ] - [ 0.0002087300000000, -0.0000296100000000, -0.0010518600000000 ] - [ 0.0002086300000000, 0.0000868800000000, -0.0005307600000000 ] - [ 0.0006411200000000, -0.0004629100000000, -0.0014811000000000 ] - [ 0.0000182400000000, -0.0002170400000000, -0.0005597500000000 ] - [ -0.0009786000000000, -0.0000751500000000, 0.0052613700000000 ] - [ 0.0007644600000000, -0.0000759300000000, 0.0010086800000000 ] - [ 0.0006814900000000, -0.0005345400000000, -0.0015945800000000 ] - [ -0.0007875000000000, -0.0003726600000000, -0.0014972500000000 ] - [ 0.0011608900000000, 0.0033346200000000, 0.0050431500000000 ] - [ 0.0008392300000000, 0.0023723200000000, 0.0021397600000000 ] - [ -0.0005509400000000, -0.0003577500000000, -0.0019692600000000 ] - [ -0.0009425500000000, -0.0004199300000000, -0.0009730400000000 ] - [ -0.0002196000000000, -0.0007209500000000, -0.0004092200000000 ] - [ -0.0006211700000000, -0.0007663200000000, -0.0003076400000000 ] - [ -0.0020515300000000, 0.0020169600000000, -0.0039887100000000 ] - [ 0.0013552200000000, 0.0006661800000000, -0.0005817600000000 ] - [ -0.0002396300000000, 0.0039065100000000, 0.0050916100000000 ] - [ 0.0003561100000000, 0.0001970000000000, 0.0012124500000000 ] - [ 0.0006839200000000, -0.0005003500000000, -0.0022542400000000 ] - [ 0.0011295400000000, 0.0000298200000000, -0.0007539400000000 ] - [ -0.0020160300000000, 0.0060719900000000, -0.0076541200000000 ] - [ -0.0006597400000000, -0.0006064700000000, 0.0002290800000000 ] - [ -0.0004329700000000, 0.0002851400000000, -0.0012971300000000 ] - [ -0.0007134300000000, 0.0001255900000000, -0.0011237100000000 ] - [ 0.0005359000000000, -0.0000435100000000, 0.0010776900000000 ] - [ -0.0004469800000000, -0.0000746900000000, 0.0025820300000000 ] - [ -0.0006891200000000, -0.0020158800000000, -0.0016374500000000 ] - [ -0.0004026400000000, -0.0002275100000000, -0.0001784000000000 ] - [ 0.0008706300000000, -0.0005648600000000, -0.0000884300000000 ] - [ -0.0010126100000000, -0.0004574800000000, 0.0011344900000000 ] - [ 0.0009257800000000, -0.0004248300000000, -0.0002795200000000 ] - [ -0.0000287300000000, 0.0004723900000000, 0.0001441900000000 ]- atom: 1 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0249547700000000, -0.0030112600000000, 0.0647679900000000 ] - [ 0.0023811000000000, -0.0016050800000000, 0.0024677900000000 ] - [ 0.0036577800000000, 0.0015622100000000, -0.0038566500000000 ] - [ -0.0030273100000000, 0.0015949600000000, -0.0002458300000000 ] - [ -0.0002123600000000, 0.0002730900000000, -0.0033899600000000 ] - [ 0.0001102100000000, 0.0005560500000000, -0.0004697500000000 ] - [ 0.0017790300000000, 0.0018496800000000, -0.0024699700000000 ] - [ -0.0011330900000000, 0.0015202100000000, -0.0018093600000000 ] - [ 0.0070483700000000, -0.0044287500000000, -0.0023244600000000 ] - [ -0.0047595400000000, -0.0022840900000000, 0.0024768300000000 ] - [ 0.0011264400000000, 0.0034998100000000, 0.0052484800000000 ] - [ 0.0002814800000000, -0.0007924500000000, 0.0058572900000000 ] - [ 0.0009594900000000, -0.0007350200000000, -0.0014865200000000 ] - [ -0.0003955400000000, -0.0006731000000000, -0.0011287200000000 ] - [ -0.0004721700000000, 0.0018506200000000, 0.0012364700000000 ] - [ 0.0008017300000000, 0.0007904500000000, 0.0000827500000000 ] - [ -0.0003618100000000, -0.0003384500000000, -0.0012774500000000 ] - [ -0.0002815300000000, -0.0003098800000000, -0.0012831400000000 ] - [ -0.0006818000000000, 0.0012072000000000, -0.0013862900000000 ] - [ 0.0004972400000000, -0.0004539900000000, 0.0000100800000000 ] - [ 0.0005148400000000, 0.0007244900000000, -0.0020306600000000 ] - [ -0.0005288700000000, 0.0006206300000000, -0.0015941700000000 ] - [ -0.0005211600000000, -0.0012862000000000, -0.0059231700000000 ] - [ 0.0006531700000000, -0.0007608000000000, -0.0015630400000000 ] - [ 0.0025507500000000, -0.0039469800000000, -0.0055596600000000 ] - [ -0.0001000600000000, 0.0005312000000000, 0.0005142400000000 ] - [ -0.0010343200000000, 0.0000958100000000, 0.0032219000000000 ] - [ 0.0008617600000000, 0.0012775600000000, 0.0008259200000000 ] - [ 0.0001569400000000, -0.0003969100000000, -0.0010505100000000 ] - [ -0.0002375600000000, -0.0003988000000000, -0.0008684400000000 ] - [ 0.0002675300000000, 0.0018400100000000, 0.0027818300000000 ] - [ 0.0003022200000000, 0.0002833400000000, 0.0008702400000000 ] - [ 0.0003114900000000, -0.0007257100000000, -0.0008629000000000 ] - [ -0.0002993900000000, -0.0005406500000000, -0.0002644600000000 ] - [ -0.0029635200000000, -0.0016949000000000, -0.0013093300000000 ] - [ 0.0011188100000000, -0.0001481400000000, -0.0004011500000000 ] - [ 0.0003511400000000, -0.0003937500000000, -0.0004852700000000 ] - [ -0.0005679100000000, -0.0005952900000000, -0.0008344100000000 ] - [ 0.0003446400000000, -0.0005645200000000, -0.0010894700000000 ] - [ -0.0000621700000000, -0.0005635600000000, -0.0009618100000000 ] - [ -0.0002797400000000, 0.0004108600000000, 0.0010025500000000 ] - [ -0.0004736000000000, 0.0013630500000000, 0.0004097900000000 ] - [ -0.0002273500000000, -0.0002833800000000, -0.0007873300000000 ] - [ -0.0002103600000000, -0.0004391900000000, -0.0009229700000000 ] - [ -0.0034685500000000, 0.0099827900000000, -0.0030290200000000 ] - [ 0.0003445700000000, -0.0001987700000000, -0.0002777100000000 ] - [ 0.0036349000000000, -0.0057063900000000, 0.0012341800000000 ] - [ 0.0005787500000000, -0.0015194000000000, -0.0002815600000000 ] - [ -0.0005074400000000, 0.0002037500000000, -0.0005007000000000 ] - [ -0.0017203400000000, -0.0002025400000000, 0.0019874500000000 ] - [ -0.0002780300000000, 0.0006050800000000, -0.0004531900000000 ] - [ -0.0001845500000000, 0.0004846400000000, -0.0003483300000000 ] - [ 0.0027446500000000, 0.0031408100000000, 0.0013343400000000 ] - [ 0.0081829900000000, 0.0090897100000000, 0.0023702100000000 ] - [ 0.0000126800000000, -0.0045593400000000, -0.0034496900000000 ] - [ 0.0000725100000000, -0.0002146600000000, 0.0010994900000000 ] - [ 0.0007944700000000, -0.0003778000000000, -0.0026896100000000 ] - [ -0.0000311600000000, -0.0002231000000000, -0.0013601700000000 ] - [ 0.0016898200000000, -0.0003886200000000, -0.0022393300000000 ] - [ 0.0011579100000000, -0.0001681800000000, -0.0007295300000000 ] - [ -0.0006451700000000, -0.0015286900000000, -0.0012858200000000 ] - [ -0.0003640400000000, -0.0008631600000000, -0.0007453500000000 ] - [ -0.0003847200000000, -0.0003352100000000, 0.0003330900000000 ] - [ -0.0002860200000000, -0.0002573900000000, 0.0004988800000000 ] - [ 0.0001584800000000, 0.0005081900000000, 0.0003439100000000 ] - [ 0.0001763100000000, 0.0003621000000000, 0.0003400700000000 ] - [ -0.0002592400000000, -0.0000980100000000, 0.0005507500000000 ] - [ -0.0002778400000000, 0.0007132100000000, -0.0001874200000000 ] - [ 0.0009667300000000, 0.0114940500000000, -0.0124105100000000 ] - [ 0.0001783900000000, 0.0004161200000000, 0.0009886300000000 ] - [ -0.0011301600000000, 0.0098143900000000, -0.0123450400000000 ] - [ 0.0001024600000000, -0.0009809400000000, 0.0006407200000000 ] - [ -0.0012867200000000, 0.0006422400000000, 0.0019513900000000 ] - [ 0.0003591400000000, 0.0003678400000000, 0.0004496200000000 ] - [ 0.0004093700000000, -0.0007798700000000, -0.0051059200000000 ] - [ -0.0049166900000000, -0.0059200100000000, -0.0037278000000000 ] - [ -0.0003731500000000, -0.0009060000000000, -0.0087391700000000 ] - [ -0.0015263900000000, -0.0006338500000000, -0.0006229700000000 ] - [ 0.0005791200000000, 0.0006578800000000, 0.0018426800000000 ] - [ 0.0007529400000000, 0.0004694900000000, 0.0012103000000000 ] - [ -0.0010022100000000, 0.0002894900000000, 0.0002615400000000 ] - [ 0.0030571900000000, -0.0073271500000000, 0.0009676000000000 ] - [ -0.0004190500000000, -0.0005733400000000, 0.0006127100000000 ] - [ 0.0003328800000000, -0.0008338700000000, 0.0011277800000000 ] - [ -0.0004439400000000, 0.0002534700000000, 0.0005597000000000 ] - [ 0.0005568700000000, 0.0001036900000000, 0.0005352200000000 ] - [ -0.0000418600000000, -0.0006217100000000, 0.0011391000000000 ] - [ 0.0003767000000000, -0.0004714800000000, 0.0009655000000000 ] - [ -0.0026833100000000, 0.0043684000000000, -0.0032521300000000 ] - [ -0.0010242200000000, 0.0010457400000000, -0.0004496100000000 ] - [ -0.0017280800000000, -0.0069439600000000, 0.0001593400000000 ] - [ -0.0004008500000000, 0.0003500900000000, -0.0008364100000000 ] - [ -0.0015097900000000, 0.0000438600000000, 0.0024515400000000 ] - [ -0.0004016000000000, -0.0000866300000000, 0.0011747600000000 ] - [ 0.0000867300000000, -0.0006950400000000, 0.0011805700000000 ] - [ 0.0003587400000000, -0.0008614900000000, 0.0007499100000000 ] - [ -0.0005358600000000, -0.0004370400000000, 0.0008398000000000 ] - [ 0.0003451700000000, -0.0010330500000000, 0.0005703500000000 ] - [ 0.0141514500000000, 0.0047863300000000, -0.0114165700000000 ] - [ 0.0009776800000000, 0.0001090500000000, -0.0016511800000000 ] - [ 0.0009310400000000, -0.0000431300000000, -0.0007209400000000 ] - [ -0.0009808200000000, 0.0002056400000000, -0.0005492300000000 ] - [ 0.0002252100000000, -0.0008700300000000, 0.0009676600000000 ] - [ -0.0003599400000000, -0.0008675600000000, 0.0007125700000000 ] - [ 0.0005712800000000, -0.0000342900000000, 0.0008277000000000 ] - [ 0.0005691600000000, -0.0001524800000000, 0.0003058300000000 ] - [ -0.0007761800000000, 0.0003387600000000, 0.0023396000000000 ] - [ -0.0001540100000000, 0.0000935700000000, 0.0014224400000000 ] - [ 0.0010815700000000, 0.0014360600000000, -0.0047331400000000 ] - [ -0.0006625600000000, 0.0013991100000000, -0.0005039000000000 ] - [ -0.0001936100000000, -0.0005022400000000, 0.0003156900000000 ] - [ 0.0012795800000000, -0.0006638300000000, 0.0002153400000000 ] - [ -0.0012592100000000, -0.0021933400000000, -0.0048539900000000 ] - [ -0.0007069300000000, -0.0012194100000000, -0.0020270300000000 ] - [ -0.0005921500000000, 0.0000150400000000, 0.0014920000000000 ] - [ -0.0001980200000000, 0.0000769800000000, 0.0004989200000000 ] - [ -0.0002692700000000, -0.0003148800000000, 0.0016890400000000 ] - [ 0.0001311600000000, -0.0002691600000000, 0.0015872700000000 ] - [ 0.0025287500000000, -0.0010256300000000, 0.0028440700000000 ] - [ -0.0008604500000000, 0.0003709600000000, -0.0006937200000000 ] - [ -0.0009092500000000, -0.0036490400000000, -0.0050038600000000 ] - [ -0.0014773400000000, 0.0001627400000000, -0.0010541900000000 ] - [ 0.0004354400000000, 0.0008558500000000, 0.0020859300000000 ] - [ -0.0000068300000000, 0.0003306700000000, 0.0005945500000000 ] - [ 0.0008529800000000, -0.0057265300000000, 0.0071839300000000 ] - [ -0.0004827100000000, 0.0009524100000000, -0.0007089100000000 ] - [ -0.0003479000000000, -0.0003495500000000, 0.0015187100000000 ] - [ -0.0000642900000000, -0.0001910700000000, 0.0013483400000000 ] - [ -0.0006689400000000, 0.0001667900000000, -0.0002257500000000 ] - [ 0.0003092300000000, 0.0001989100000000, -0.0017208600000000 ] - [ 0.0008646500000000, 0.0019441800000000, 0.0007456500000000 ] - [ 0.0005380300000000, 0.0001044700000000, -0.0006866000000000 ] - [ 0.0002529000000000, 0.0002081800000000, -0.0000808300000000 ] - [ 0.0021352500000000, 0.0000972800000000, -0.0013007100000000 ] - [ -0.0001451900000000, 0.0004856700000000, 0.0000583200000000 ] - [ 0.0008104700000000, -0.0004071400000000, -0.0003635600000000 ]- atom: 3 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0003055400000000, 0.0008364300000000, -0.0033740200000000 ] - [ 0.0001371400000000, -0.0023906900000000, 0.0037061600000000 ] - [ -0.0409451800000000, 0.0087805200000000, 0.0031062300000000 ] - [ 0.0061361600000000, -0.0006343300000000, -0.0012575500000000 ] - [ 0.0022980500000000, 0.0036291400000000, 0.0046254900000000 ] - [ 0.0027951700000000, -0.0026330100000000, -0.0044921300000000 ] - [ 0.0000141600000000, 0.0008469800000000, -0.0000468300000000 ] - [ 0.0000729600000000, 0.0007982600000000, -0.0001093700000000 ] - [ 0.0003456800000000, -0.0005918000000000, 0.0005324900000000 ] - [ -0.0008318500000000, -0.0005402300000000, 0.0004511700000000 ] - [ 0.0007059300000000, 0.0007955700000000, 0.0004636200000000 ] - [ -0.0012177700000000, 0.0004858100000000, 0.0009816200000000 ] - [ -0.0029202600000000, -0.0005591000000000, -0.0004875000000000 ] - [ 0.0018585300000000, -0.0005200400000000, -0.0003829400000000 ] - [ 0.0002619600000000, 0.0004583300000000, -0.0009913200000000 ] - [ 0.0002251400000000, 0.0006464100000000, 0.0001533100000000 ] - [ 0.0006016400000000, -0.0015749300000000, 0.0022073400000000 ] - [ 0.0004243900000000, -0.0001826900000000, -0.0013479200000000 ] - [ 0.0031187500000000, -0.0064287400000000, -0.0004745300000000 ] - [ 0.0026600200000000, 0.0042398900000000, 0.0002668400000000 ] - [ -0.0027160500000000, 0.0008252700000000, -0.0000389700000000 ] - [ 0.0010901300000000, 0.0008253200000000, 0.0001460500000000 ] - [ 0.0002218500000000, -0.0005939600000000, -0.0010544700000000 ] - [ 0.0003157200000000, -0.0005324300000000, 0.0000092100000000 ] - [ -0.0009233000000000, 0.0028982900000000, -0.0002008600000000 ] - [ 0.0011674600000000, -0.0004382400000000, 0.0001960300000000 ] - [ 0.0013306700000000, 0.0000192500000000, -0.0011493200000000 ] - [ -0.0003217200000000, 0.0016136000000000, 0.0023109100000000 ] - [ -0.0003704200000000, -0.0003320700000000, -0.0002030900000000 ] - [ 0.0002365600000000, -0.0003498700000000, 0.0001517100000000 ] - [ -0.0013594500000000, -0.0010525000000000, -0.0029849200000000 ] - [ 0.0010971300000000, 0.0008710500000000, 0.0009017400000000 ] - [ -0.0001996400000000, -0.0005461700000000, 0.0000039700000000 ] - [ -0.0000748900000000, -0.0005356300000000, 0.0003237300000000 ] - [ 0.0012521900000000, 0.0013726600000000, 0.0000013400000000 ] - [ -0.0012058800000000, -0.0024468400000000, 0.0003109800000000 ] - [ 0.0000069400000000, -0.0003625300000000, 0.0002709600000000 ] - [ 0.0000731000000000, -0.0003881200000000, -0.0001270000000000 ] - [ -0.0000824800000000, -0.0004793600000000, 0.0000662800000000 ] - [ 0.0004108700000000, -0.0005304400000000, -0.0003148700000000 ] - [ -0.0000751700000000, 0.0001987200000000, 0.0008228100000000 ] - [ -0.0000761600000000, 0.0002220200000000, 0.0008037000000000 ] - [ -0.0002574400000000, -0.0006175300000000, -0.0012525300000000 ] - [ 0.0002731600000000, 0.0008855600000000, -0.0004759800000000 ] - [ -0.0000797300000000, 0.0004054200000000, 0.0000426800000000 ] - [ 0.0000871200000000, -0.0004432000000000, -0.0000641200000000 ] - [ -0.0000179900000000, -0.0001215300000000, -0.0005340900000000 ] - [ 0.0002654000000000, -0.0005006300000000, -0.0009642000000000 ] - [ -0.0005048100000000, 0.0000674100000000, -0.0005252000000000 ] - [ -0.0005677700000000, 0.0000049700000000, -0.0001714600000000 ] - [ 0.0005412800000000, -0.0005831600000000, -0.0002379000000000 ] - [ 0.0000020000000000, 0.0001580200000000, -0.0003632300000000 ] - [ 0.0007549800000000, 0.0015037400000000, 0.0002329700000000 ] - [ -0.0028857900000000, -0.0034490300000000, -0.0020704500000000 ] - [ 0.0011388100000000, 0.0001734300000000, -0.0005541100000000 ] - [ -0.0001505800000000, -0.0002872700000000, 0.0014064300000000 ] - [ -0.0010581700000000, 0.0000310400000000, 0.0006101900000000 ] - [ 0.0002206100000000, -0.0000211900000000, -0.0016452300000000 ] - [ 0.0000536900000000, 0.0001521700000000, 0.0023729000000000 ] - [ 0.0006585600000000, -0.0000427600000000, -0.0007701700000000 ] - [ 0.0035335500000000, 0.0000604000000000, 0.0076249700000000 ] - [ 0.0002460500000000, -0.0000421900000000, 0.0001988500000000 ] - [ -0.0002778000000000, -0.0003245300000000, 0.0004101200000000 ] - [ -0.0001016500000000, -0.0000303000000000, 0.0003405000000000 ] - [ 0.0032882100000000, 0.0055613600000000, -0.0044873600000000 ] - [ 0.0003104800000000, 0.0003459400000000, -0.0000885700000000 ] - [ -0.0008712300000000, 0.0021864900000000, -0.0007968700000000 ] - [ -0.0000428600000000, -0.0008691300000000, 0.0009306700000000 ] - [ 0.0097833600000000, 0.0063717200000000, 0.0016108800000000 ] - [ 0.0095390400000000, 0.0034875500000000, 0.0054014200000000 ] - [ -0.0002266000000000, 0.0003745000000000, -0.0003584100000000 ] - [ 0.0002290600000000, -0.0004178600000000, 0.0003950200000000 ] - [ 0.0036116900000000, 0.0013223800000000, 0.0005179300000000 ] - [ -0.0015889200000000, 0.0003217700000000, 0.0000454900000000 ] - [ -0.0021258200000000, -0.0005142200000000, 0.0001476700000000 ] - [ 0.0039374400000000, 0.0015403800000000, 0.0008074900000000 ] - [ 0.0003475300000000, -0.0008112500000000, 0.0000534900000000 ] - [ -0.0003775000000000, -0.0003097100000000, -0.0009024400000000 ] - [ -0.0004559600000000, -0.0010884000000000, -0.0051257600000000 ] - [ -0.0004372600000000, 0.0000264500000000, 0.0006455600000000 ] - [ -0.0001892900000000, 0.0008360800000000, 0.0003083300000000 ] - [ 0.0002127000000000, 0.0003238400000000, 0.0004101400000000 ] - [ -0.0000710900000000, -0.0005883500000000, -0.0003233200000000 ] - [ -0.0000258400000000, -0.0005290000000000, 0.0001898900000000 ] - [ 0.0039617300000000, -0.0008474100000000, -0.0019234800000000 ] - [ -0.0013328400000000, 0.0005748600000000, -0.0005951900000000 ] - [ 0.0006700600000000, -0.0001336000000000, 0.0001767900000000 ] - [ -0.0004476000000000, -0.0009499700000000, 0.0002181500000000 ] - [ 0.0001381400000000, 0.0009000800000000, 0.0013524300000000 ] - [ -0.0007332500000000, 0.0003110300000000, -0.0000933500000000 ] - [ 0.0017246000000000, -0.0024369700000000, -0.0015150600000000 ] - [ -0.0064503000000000, -0.0029362500000000, -0.0036469700000000 ] - [ 0.0009044400000000, -0.0001264400000000, -0.0018348900000000 ] - [ -0.0014889800000000, -0.0002357700000000, 0.0006689900000000 ] - [ 0.0003400200000000, -0.0005482500000000, 0.0004987000000000 ] - [ -0.0003992600000000, -0.0004757600000000, -0.0004164700000000 ] - [ 0.0000404600000000, -0.0006540000000000, -0.0003197400000000 ] - [ -0.0001656600000000, -0.0006685600000000, -0.0002917900000000 ] - [ 0.0001253000000000, -0.0004836000000000, 0.0007590900000000 ] - [ 0.0009830500000000, 0.0001182700000000, -0.0002849700000000 ] - [ -0.0016852800000000, 0.0011157700000000, -0.0000817100000000 ] - [ 0.0035792900000000, 0.0014741500000000, 0.0005670900000000 ] - [ -0.0011022800000000, -0.0004667100000000, 0.0000113300000000 ] - [ -0.0007562000000000, -0.0052390300000000, 0.0025369300000000 ] - [ 0.0004808300000000, -0.0000279100000000, 0.0002283600000000 ] - [ 0.0003080700000000, -0.0000571900000000, -0.0004729700000000 ] - [ 0.0004637100000000, -0.0000191100000000, -0.0003005700000000 ] - [ -0.0008086600000000, -0.0000512100000000, 0.0013600200000000 ] - [ -0.0002377900000000, 0.0003892700000000, 0.0005941500000000 ] - [ 0.0002765600000000, 0.0010888500000000, -0.0001944500000000 ] - [ 0.0002337900000000, -0.0004952200000000, -0.0006585400000000 ] - [ 0.0002188100000000, -0.0004809200000000, -0.0006573200000000 ] - [ 0.0037219100000000, 0.0018466300000000, 0.0014943100000000 ] - [ -0.0015479700000000, 0.0001254600000000, -0.0003630900000000 ] - [ 0.0032332000000000, -0.0026066800000000, -0.0008359200000000 ] - [ -0.0019085100000000, -0.0002653000000000, 0.0000453600000000 ] - [ 0.0004476000000000, -0.0002816100000000, 0.0010714300000000 ] - [ -0.0008039100000000, -0.0006936400000000, 0.0004285700000000 ] - [ -0.0060100600000000, -0.0047462400000000, -0.0018756500000000 ] - [ 0.0008460700000000, -0.0015447500000000, -0.0024280200000000 ] - [ -0.0006279900000000, 0.0001645800000000, 0.0014205100000000 ] - [ -0.0005193000000000, 0.0001684700000000, -0.0012260600000000 ] - [ 0.0003841900000000, -0.0001927200000000, -0.0010710500000000 ] - [ 0.0005984900000000, 0.0004745100000000, 0.0011145300000000 ] - [ -0.0004885000000000, -0.0000185900000000, 0.0000639500000000 ] - [ -0.0006550800000000, 0.0003735000000000, -0.0005958100000000 ] - [ -0.0003183800000000, 0.0000845700000000, -0.0007986500000000 ] - [ -0.0005144500000000, -0.0001813000000000, 0.0008833100000000 ] - [ -0.0003950100000000, 0.0000780800000000, 0.0004592900000000 ] - [ 0.0003352100000000, 0.0000544600000000, 0.0002469400000000 ] - [ -0.0004013000000000, -0.0002425700000000, 0.0004523700000000 ] - [ 0.0005106700000000, 0.0001157500000000, -0.0013073200000000 ] - [ 0.0004361800000000, -0.0001932200000000, -0.0000244000000000 ] - [ 0.0007308900000000, -0.0001443000000000, -0.0002668300000000 ] - [ 0.0022523200000000, -0.0017756800000000, 0.0011127900000000 ] - [ -0.0007112600000000, 0.0004930700000000, -0.0004534200000000 ]- atom: 3 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0003978700000000, -0.0024563100000000, 0.0036033900000000 ] - [ -0.0002010100000000, 0.0007665900000000, -0.0034778900000000 ] - [ 0.0414731000000000, -0.0075893100000000, -0.0043164500000000 ] - [ -0.0055833900000000, 0.0017818500000000, 0.0001107400000000 ] - [ -0.0027888800000000, -0.0024864900000000, -0.0036958300000000 ] - [ -0.0032824500000000, 0.0037787800000000, 0.0054347400000000 ] - [ 0.0000644800000000, 0.0007871500000000, -0.0002078700000000 ] - [ 0.0000059000000000, 0.0008356600000000, -0.0001399600000000 ] - [ -0.0008303700000000, -0.0005319100000000, 0.0003557500000000 ] - [ 0.0003454900000000, -0.0005831700000000, 0.0004538700000000 ] - [ -0.0012576900000000, 0.0003585600000000, 0.0006889400000000 ] - [ 0.0006648200000000, 0.0006628800000000, 0.0001869700000000 ] - [ 0.0034059300000000, -0.0005603100000000, -0.0004162800000000 ] - [ -0.0013739500000000, -0.0006040600000000, -0.0005074500000000 ] - [ 0.0002195900000000, 0.0006647200000000, 0.0000933800000000 ] - [ 0.0002624400000000, 0.0004762000000000, -0.0010499900000000 ] - [ -0.0011636500000000, 0.0004239700000000, -0.0010533800000000 ] - [ -0.0009684100000000, -0.0009669000000000, 0.0025002800000000 ] - [ -0.0030360700000000, 0.0047440000000000, 0.0002325400000000 ] - [ -0.0025744600000000, -0.0059114900000000, -0.0005125600000000 ] - [ 0.0026334400000000, 0.0008089600000000, 0.0002719800000000 ] - [ -0.0011693000000000, 0.0008079600000000, 0.0001100000000000 ] - [ 0.0003302600000000, -0.0005594200000000, -0.0001040200000000 ] - [ 0.0002369300000000, -0.0006195800000000, -0.0011679500000000 ] - [ 0.0006233200000000, -0.0018229400000000, 0.0004854900000000 ] - [ -0.0014503500000000, 0.0015108700000000, 0.0000891400000000 ] - [ -0.0010467100000000, 0.0010442500000000, 0.0008581400000000 ] - [ 0.0006194200000000, -0.0005507900000000, -0.0026026600000000 ] - [ 0.0002901000000000, -0.0004019300000000, 0.0001080700000000 ] - [ -0.0003213000000000, -0.0003827400000000, -0.0002431700000000 ] - [ 0.0012505800000000, 0.0017854000000000, 0.0028952100000000 ] - [ -0.0011841400000000, -0.0001447400000000, -0.0010026100000000 ] - [ -0.0000804200000000, -0.0005203400000000, 0.0002782800000000 ] - [ -0.0002048900000000, -0.0005313600000000, -0.0000395200000000 ] - [ -0.0011662100000000, -0.0006296100000000, 0.0000914300000000 ] - [ 0.0013142700000000, 0.0031807000000000, -0.0002187400000000 ] - [ 0.0000762200000000, -0.0003710400000000, -0.0001790900000000 ] - [ 0.0000098600000000, -0.0003451700000000, 0.0002189800000000 ] - [ 0.0003593200000000, -0.0005881700000000, -0.0003531400000000 ] - [ -0.0001296700000000, -0.0005364000000000, 0.0000307700000000 ] - [ -0.0001344500000000, 0.0003370200000000, 0.0007552200000000 ] - [ -0.0001290400000000, 0.0003060400000000, 0.0007767500000000 ] - [ 0.0004609000000000, 0.0011433800000000, -0.0003294500000000 ] - [ -0.0000666900000000, -0.0003546200000000, -0.0011042800000000 ] - [ 0.0000797900000000, -0.0004038800000000, -0.0000429200000000 ] - [ -0.0000878400000000, 0.0004460300000000, 0.0000642800000000 ] - [ 0.0002243600000000, -0.0004078100000000, -0.0010447900000000 ] - [ -0.0000583300000000, -0.0000334300000000, -0.0006127200000000 ] - [ -0.0005034100000000, 0.0000393200000000, -0.0002852300000000 ] - [ -0.0004464200000000, 0.0000998900000000, -0.0006296500000000 ] - [ -0.0001270500000000, 0.0001792700000000, -0.0004911200000000 ] - [ 0.0004150100000000, -0.0005688000000000, -0.0003631800000000 ] - [ -0.0003405100000000, -0.0010979500000000, -0.0009595700000000 ] - [ 0.0032974200000000, 0.0038177800000000, 0.0013928700000000 ] - [ -0.0001251000000000, -0.0002784500000000, 0.0013569300000000 ] - [ 0.0011635200000000, 0.0001825500000000, -0.0006050900000000 ] - [ 0.0000412100000000, -0.0001348700000000, -0.0014025700000000 ] - [ -0.0012334000000000, -0.0000851100000000, 0.0008407900000000 ] - [ 0.0009737900000000, -0.0000643700000000, -0.0016153300000000 ] - [ 0.0003458100000000, 0.0001504700000000, 0.0015888700000000 ] - [ -0.0035429300000000, -0.0001538500000000, -0.0075981400000000 ] - [ -0.0002410900000000, 0.0000548500000000, -0.0001868100000000 ] - [ -0.0001354100000000, -0.0000780200000000, 0.0003186500000000 ] - [ -0.0003134100000000, -0.0003751100000000, 0.0003870900000000 ] - [ -0.0032735000000000, -0.0055225800000000, 0.0045884300000000 ] - [ -0.0003129000000000, -0.0003531400000000, 0.0000857100000000 ] - [ 0.0004407300000000, -0.0017361000000000, 0.0015156100000000 ] - [ -0.0003667900000000, 0.0012642300000000, -0.0001983800000000 ] - [ -0.0097771000000000, -0.0069226500000000, -0.0001408200000000 ] - [ -0.0099606900000000, -0.0038955600000000, -0.0038634600000000 ] - [ 0.0002247000000000, -0.0003715800000000, 0.0003553300000000 ] - [ -0.0002288800000000, 0.0004140300000000, -0.0003912000000000 ] - [ -0.0034969300000000, -0.0011926400000000, -0.0013500500000000 ] - [ 0.0017163400000000, -0.0001955400000000, -0.0008990900000000 ] - [ 0.0013468100000000, 0.0005655000000000, 0.0000742200000000 ] - [ -0.0047299100000000, -0.0014757500000000, -0.0006292400000000 ] - [ -0.0003653900000000, -0.0003235200000000, -0.0008187000000000 ] - [ 0.0003560800000000, -0.0008293400000000, 0.0001403300000000 ] - [ 0.0016087700000000, 0.0014715300000000, 0.0056101800000000 ] - [ 0.0015768200000000, 0.0003256500000000, -0.0001687000000000 ] - [ 0.0002097500000000, 0.0002991600000000, 0.0004580800000000 ] - [ -0.0001895400000000, 0.0008128300000000, 0.0003529700000000 ] - [ -0.0000284100000000, -0.0005098500000000, 0.0002338400000000 ] - [ -0.0000720200000000, -0.0005663700000000, -0.0002785200000000 ] - [ -0.0040470300000000, 0.0019375400000000, 0.0012869300000000 ] - [ 0.0013140100000000, 0.0005698200000000, -0.0001781800000000 ] - [ -0.0005736100000000, -0.0011970800000000, 0.0003318700000000 ] - [ 0.0005417200000000, -0.0003803400000000, 0.0002865800000000 ] - [ -0.0006175800000000, 0.0001344100000000, -0.0000645700000000 ] - [ 0.0002448200000000, 0.0007268200000000, 0.0013788800000000 ] - [ -0.0014925500000000, 0.0037415800000000, 0.0008846700000000 ] - [ 0.0064319300000000, 0.0042716300000000, 0.0031763400000000 ] - [ -0.0020482900000000, -0.0002258900000000, 0.0020356700000000 ] - [ 0.0003680000000000, -0.0001231800000000, -0.0005077500000000 ] - [ -0.0002458700000000, -0.0005443000000000, -0.0004075700000000 ] - [ 0.0004979800000000, -0.0006202300000000, 0.0005060200000000 ] - [ -0.0001342100000000, -0.0006787600000000, -0.0001815900000000 ] - [ 0.0000700600000000, -0.0006615800000000, -0.0002148200000000 ] - [ 0.0010204900000000, 0.0001250600000000, -0.0002678700000000 ] - [ 0.0001562700000000, -0.0004729600000000, 0.0007687200000000 ] - [ 0.0015849100000000, -0.0000079500000000, -0.0000093500000000 ] - [ -0.0036715800000000, -0.0003886500000000, -0.0006536900000000 ] - [ 0.0011279900000000, -0.0006645000000000, 0.0007502700000000 ] - [ 0.0007669300000000, 0.0040844400000000, -0.0017997400000000 ] - [ 0.0002981200000000, -0.0000302200000000, -0.0004444800000000 ] - [ 0.0004724700000000, 0.0000046800000000, 0.0002581400000000 ] - [ -0.0005824000000000, -0.0001145500000000, 0.0011377900000000 ] - [ 0.0006815000000000, -0.0000805700000000, -0.0005216200000000 ] - [ 0.0003351400000000, 0.0009419700000000, -0.0000891000000000 ] - [ -0.0001893400000000, 0.0002416200000000, 0.0006995700000000 ] - [ 0.0002534000000000, -0.0005424500000000, -0.0006214300000000 ] - [ 0.0002666200000000, -0.0005520500000000, -0.0006297500000000 ] - [ -0.0036016700000000, -0.0007147600000000, -0.0014311600000000 ] - [ 0.0016446500000000, 0.0009690100000000, 0.0004562000000000 ] - [ -0.0043116300000000, 0.0021692000000000, 0.0004525500000000 ] - [ 0.0007610900000000, -0.0000875700000000, -0.0005424700000000 ] - [ -0.0009334600000000, -0.0007499000000000, 0.0002164900000000 ] - [ 0.0003186500000000, -0.0003416300000000, 0.0008533500000000 ] - [ 0.0064194500000000, 0.0057453700000000, 0.0006055500000000 ] - [ -0.0006468400000000, 0.0026700200000000, 0.0010964100000000 ] - [ -0.0004939200000000, 0.0001924500000000, -0.0012443300000000 ] - [ -0.0006095800000000, 0.0001890600000000, 0.0014033700000000 ] - [ 0.0007474200000000, 0.0005482400000000, 0.0008892100000000 ] - [ 0.0005187500000000, -0.0001194800000000, -0.0012873200000000 ] - [ -0.0006553300000000, 0.0003715300000000, -0.0005460100000000 ] - [ -0.0004913000000000, -0.0000161000000000, 0.0001078100000000 ] - [ -0.0004579400000000, -0.0001407900000000, 0.0010136200000000 ] - [ -0.0002688000000000, 0.0001287300000000, -0.0006718800000000 ] - [ 0.0002695500000000, 0.0000525500000000, 0.0003844800000000 ] - [ -0.0004641100000000, 0.0000761400000000, 0.0005947800000000 ] - [ 0.0005262400000000, 0.0001111800000000, -0.0012916200000000 ] - [ -0.0003883100000000, -0.0002477800000000, 0.0004684500000000 ] - [ 0.0006842100000000, -0.0001655700000000, -0.0001373100000000 ] - [ 0.0003985300000000, -0.0002117600000000, 0.0000876800000000 ] - [ -0.0014535200000000, 0.0018101300000000, -0.0013194400000000 ] - [ 0.0014890200000000, -0.0004355000000000, 0.0002349600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016528200000000, -0.0008559800000000, -0.0002978600000000 ] - [ -0.0015977400000000, 0.0001965500000000, -0.0015374000000000 ] - [ 0.0083838600000000, -0.0435906300000000, 0.0040122100000000 ] - [ -0.0009314400000000, 0.0000074500000000, 0.0002374700000000 ] - [ 0.0024957900000000, -0.0012503500000000, 0.0025044200000000 ] - [ -0.0035088600000000, -0.0000822800000000, 0.0031996400000000 ] - [ 0.0000668600000000, 0.0010262800000000, -0.0003681000000000 ] - [ 0.0000716100000000, 0.0010225100000000, -0.0003976300000000 ] - [ -0.0003587800000000, -0.0006294200000000, 0.0002910400000000 ] - [ 0.0000384600000000, -0.0008886400000000, -0.0009875300000000 ] - [ -0.0004947200000000, 0.0008605400000000, 0.0008913500000000 ] - [ -0.0001865500000000, 0.0038119800000000, 0.0023001200000000 ] - [ 0.0008956700000000, 0.0058835200000000, -0.0032929000000000 ] - [ -0.0001228100000000, -0.0000332800000000, -0.0005998500000000 ] - [ 0.0002135900000000, 0.0005633600000000, -0.0001877300000000 ] - [ 0.0002908100000000, 0.0005371600000000, -0.0004095900000000 ] - [ -0.0012786200000000, 0.0005702900000000, -0.0010033200000000 ] - [ 0.0001158200000000, -0.0004089400000000, -0.0001936600000000 ] - [ -0.0056314300000000, 0.0023188300000000, 0.0008820100000000 ] - [ 0.0048637100000000, 0.0009061300000000, 0.0002156500000000 ] - [ 0.0011585800000000, -0.0018706300000000, -0.0001908600000000 ] - [ -0.0002956300000000, 0.0004478500000000, -0.0001670900000000 ] - [ 0.0002932600000000, -0.0005393200000000, -0.0006836400000000 ] - [ 0.0002324200000000, -0.0005872900000000, -0.0009541100000000 ] - [ 0.0019898500000000, 0.0045713500000000, -0.0004849400000000 ] - [ -0.0006628400000000, 0.0012453400000000, 0.0001384800000000 ] - [ -0.0001252500000000, 0.0003337800000000, 0.0001325200000000 ] - [ 0.0014222600000000, -0.0007355200000000, 0.0016323600000000 ] - [ -0.0004780000000000, 0.0001266500000000, 0.0005881000000000 ] - [ -0.0000976100000000, -0.0002731700000000, -0.0000924100000000 ] - [ -0.0011374200000000, -0.0003987100000000, 0.0036544800000000 ] - [ -0.0003121300000000, -0.0000083900000000, -0.0002022000000000 ] - [ -0.0001021900000000, -0.0006050800000000, 0.0000318200000000 ] - [ -0.0001477400000000, -0.0006069000000000, -0.0000295700000000 ] - [ -0.0000530100000000, 0.0006166800000000, 0.0000625400000000 ] - [ -0.0021204300000000, 0.0074605100000000, -0.0010383600000000 ] - [ 0.0000325000000000, -0.0004412000000000, -0.0001629300000000 ] - [ 0.0000260500000000, -0.0004561600000000, -0.0000474000000000 ] - [ 0.0006920600000000, -0.0001053000000000, 0.0003408800000000 ] - [ 0.0000615100000000, -0.0004470200000000, -0.0001198700000000 ] - [ 0.0000843300000000, -0.0000640600000000, 0.0009318300000000 ] - [ -0.0002595100000000, 0.0005423100000000, 0.0007433200000000 ] - [ 0.0001979300000000, 0.0003651500000000, -0.0006321800000000 ] - [ 0.0000686500000000, 0.0001490100000000, -0.0008115200000000 ] - [ -0.0002894200000000, 0.0010100400000000, -0.0001632100000000 ] - [ -0.0001400200000000, 0.0005601400000000, -0.0000068600000000 ] - [ -0.0005054400000000, 0.0007536500000000, -0.0015150400000000 ] - [ -0.0000833800000000, 0.0001142600000000, -0.0010200400000000 ] - [ -0.0005081600000000, 0.0000701500000000, -0.0003534200000000 ] - [ -0.0007192600000000, -0.0000021500000000, -0.0001912100000000 ] - [ 0.0003373400000000, -0.0007760800000000, -0.0003005200000000 ] - [ 0.0006910700000000, -0.0011232500000000, -0.0000548500000000 ] - [ 0.0001157100000000, 0.0000176700000000, -0.0004843800000000 ] - [ -0.0035328200000000, -0.0033084100000000, -0.0119556700000000 ] - [ 0.0005344500000000, 0.0000621800000000, 0.0002127400000000 ] - [ 0.0007780100000000, 0.0000810400000000, -0.0000376400000000 ] - [ -0.0003805200000000, -0.0001326200000000, -0.0005558900000000 ] - [ -0.0007296300000000, -0.0001313100000000, 0.0000826900000000 ] - [ -0.0057598000000000, 0.0031620300000000, 0.0141356800000000 ] - [ 0.0003625900000000, 0.0000214500000000, 0.0008826400000000 ] - [ -0.0062386300000000, -0.0071732800000000, -0.0131254200000000 ] - [ -0.0000887300000000, -0.0001986100000000, -0.0003694500000000 ] - [ -0.0000853100000000, 0.0000079100000000, 0.0004688900000000 ] - [ -0.0002002500000000, -0.0001515700000000, 0.0004205600000000 ] - [ 0.0013545500000000, -0.0061059500000000, -0.0062688700000000 ] - [ -0.0007377200000000, -0.0015308600000000, -0.0000919200000000 ] - [ -0.0067737700000000, 0.0145608400000000, -0.0042540200000000 ] - [ -0.0001780400000000, 0.0002918400000000, 0.0002538600000000 ] - [ -0.0018281300000000, -0.0067384600000000, -0.0031491600000000 ] - [ -0.0052509300000000, -0.0099258400000000, -0.0043125100000000 ] - [ -0.0001001100000000, 0.0001179800000000, -0.0001625000000000 ] - [ -0.0002386500000000, 0.0005039800000000, -0.0005758300000000 ] - [ 0.0010626300000000, 0.0040786600000000, -0.0031374900000000 ] - [ 0.0005712000000000, -0.0001247100000000, -0.0007378300000000 ] - [ -0.0002750600000000, 0.0002558100000000, 0.0001220500000000 ] - [ 0.0013986700000000, 0.0061739800000000, 0.0030356900000000 ] - [ -0.0001248500000000, -0.0011833900000000, 0.0000937500000000 ] - [ 0.0002303700000000, -0.0009046000000000, -0.0000059900000000 ] - [ 0.0030878200000000, 0.0075658500000000, 0.0077210500000000 ] - [ 0.0006064900000000, 0.0008376200000000, 0.0003232500000000 ] - [ 0.0001312600000000, 0.0001799500000000, 0.0003784000000000 ] - [ 0.0001830600000000, -0.0000631400000000, 0.0002861900000000 ] - [ -0.0000810500000000, -0.0006888000000000, 0.0001002400000000 ] - [ -0.0000622200000000, -0.0007391300000000, -0.0000413600000000 ] - [ 0.0001268100000000, 0.0062002900000000, -0.0015834800000000 ] - [ 0.0005216900000000, 0.0019227200000000, -0.0005775700000000 ] - [ -0.0003247800000000, -0.0007944800000000, 0.0004393900000000 ] - [ -0.0000220200000000, -0.0005799000000000, 0.0003820500000000 ] - [ 0.0005680700000000, -0.0003503800000000, 0.0001103500000000 ] - [ -0.0002679200000000, -0.0000040100000000, 0.0005923000000000 ] - [ 0.0017404600000000, 0.0054139100000000, -0.0004663400000000 ] - [ 0.0016981300000000, 0.0078233000000000, 0.0024856300000000 ] - [ 0.0039560100000000, -0.0017916900000000, -0.0088943600000000 ] - [ -0.0004422600000000, -0.0002881100000000, -0.0002805400000000 ] - [ -0.0003398800000000, 0.0000012600000000, 0.0001038600000000 ] - [ 0.0000733000000000, -0.0000103800000000, 0.0003247500000000 ] - [ -0.0001163600000000, -0.0005313800000000, -0.0005850800000000 ] - [ 0.0000620200000000, -0.0008196900000000, -0.0001242400000000 ] - [ 0.0005159800000000, -0.0004581600000000, 0.0003923500000000 ] - [ 0.0006088700000000, -0.0009462200000000, 0.0008090600000000 ] - [ 0.0006759800000000, 0.0007308100000000, -0.0002637900000000 ] - [ 0.0015977100000000, -0.0000298200000000, 0.0024630000000000 ] - [ 0.0012711400000000, 0.0000184800000000, 0.0009282700000000 ] - [ -0.0008987700000000, 0.0019849100000000, 0.0050204700000000 ] - [ 0.0003292200000000, -0.0001867200000000, -0.0000224500000000 ] - [ 0.0003937500000000, -0.0001315900000000, 0.0001174700000000 ] - [ -0.0002552700000000, -0.0008218000000000, 0.0005938800000000 ] - [ 0.0002957000000000, -0.0005082500000000, 0.0001002500000000 ] - [ 0.0002568100000000, -0.0005070500000000, 0.0002851900000000 ] - [ -0.0001034600000000, -0.0004479500000000, 0.0001966400000000 ] - [ 0.0001073400000000, -0.0002013500000000, -0.0005607200000000 ] - [ 0.0002899800000000, -0.0006117800000000, -0.0002489500000000 ] - [ 0.0003791900000000, -0.0000884100000000, 0.0068362200000000 ] - [ 0.0005743800000000, 0.0004471900000000, 0.0001419000000000 ] - [ -0.0018529700000000, 0.0077638000000000, 0.0006947100000000 ] - [ -0.0007897900000000, 0.0003098700000000, -0.0000484500000000 ] - [ -0.0002488700000000, -0.0010764400000000, 0.0009747900000000 ] - [ 0.0000112400000000, -0.0006205400000000, 0.0007720700000000 ] - [ -0.0000086000000000, 0.0047414100000000, 0.0018160800000000 ] - [ 0.0039381100000000, 0.0052841100000000, 0.0007909100000000 ] - [ -0.0007811400000000, 0.0004799800000000, 0.0001355600000000 ] - [ -0.0004960500000000, 0.0004007100000000, 0.0006246400000000 ] - [ 0.0004098800000000, -0.0005471300000000, 0.0001994100000000 ] - [ 0.0008069900000000, -0.0011969400000000, -0.0002595000000000 ] - [ -0.0005416300000000, 0.0000054100000000, -0.0001000100000000 ] - [ -0.0004080400000000, -0.0003004900000000, 0.0003154500000000 ] - [ -0.0006116400000000, 0.0004485600000000, 0.0000272200000000 ] - [ -0.0002526300000000, 0.0005440000000000, -0.0004398700000000 ] - [ -0.0000023000000000, 0.0001323600000000, 0.0003644300000000 ] - [ -0.0001346900000000, 0.0002546000000000, -0.0001823400000000 ] - [ 0.0000623900000000, -0.0000536100000000, -0.0003149100000000 ] - [ 0.0000006100000000, -0.0000716300000000, -0.0000274200000000 ] - [ 0.0006181300000000, -0.0001193800000000, -0.0000659200000000 ] - [ 0.0007435900000000, 0.0000230600000000, -0.0003217200000000 ] - [ 0.0041223400000000, -0.0086709100000000, 0.0029472600000000 ] - [ 0.0001642700000000, -0.0002743500000000, -0.0001620900000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017349000000000, -0.0007841900000000, 0.0005550000000000 ] - [ 0.0015203800000000, -0.0018365600000000, 0.0017924300000000 ] - [ -0.0079899400000000, 0.0448288400000000, -0.0052784700000000 ] - [ 0.0014835100000000, 0.0011498900000000, -0.0014020100000000 ] - [ -0.0029731300000000, 0.0023578100000000, -0.0016168400000000 ] - [ 0.0030093800000000, 0.0011836500000000, -0.0023036500000000 ] - [ 0.0000115400000000, 0.0006069600000000, 0.0001196100000000 ] - [ 0.0000069100000000, 0.0006099400000000, 0.0001473600000000 ] - [ -0.0001274000000000, -0.0004940300000000, 0.0006058200000000 ] - [ -0.0005235900000000, -0.0002331000000000, 0.0018868700000000 ] - [ -0.0000585400000000, 0.0002904400000000, 0.0002651000000000 ] - [ -0.0003669500000000, -0.0026713300000000, -0.0011533600000000 ] - [ -0.0004093400000000, -0.0070094700000000, 0.0024225900000000 ] - [ 0.0006081000000000, -0.0010893600000000, -0.0002941300000000 ] - [ 0.0002721700000000, 0.0005607900000000, -0.0007080700000000 ] - [ 0.0001937300000000, 0.0005863000000000, -0.0004862200000000 ] - [ 0.0007232500000000, -0.0017211500000000, 0.0021580500000000 ] - [ -0.0006671900000000, -0.0007393100000000, 0.0013495300000000 ] - [ 0.0057608400000000, -0.0039640300000000, -0.0011345000000000 ] - [ -0.0048182100000000, -0.0025352300000000, -0.0004636500000000 ] - [ -0.0012391500000000, 0.0034928400000000, 0.0004375400000000 ] - [ 0.0002171300000000, 0.0011849200000000, 0.0004174500000000 ] - [ 0.0002589500000000, -0.0006152000000000, -0.0004717200000000 ] - [ 0.0003205000000000, -0.0005657900000000, -0.0002019600000000 ] - [ -0.0022402800000000, -0.0034828100000000, 0.0007580100000000 ] - [ 0.0003807500000000, -0.0001827900000000, 0.0001447100000000 ] - [ 0.0004033400000000, 0.0007365900000000, -0.0004138200000000 ] - [ -0.0011460800000000, 0.0018163200000000, -0.0019189800000000 ] - [ 0.0003933400000000, -0.0008579900000000, -0.0006732700000000 ] - [ 0.0000158500000000, -0.0004597000000000, 0.0000023600000000 ] - [ 0.0010610600000000, 0.0011531700000000, -0.0037504000000000 ] - [ 0.0002301500000000, 0.0007440000000000, 0.0001137300000000 ] - [ -0.0001778600000000, -0.0004615100000000, 0.0002528400000000 ] - [ -0.0001318700000000, -0.0004592900000000, 0.0003131800000000 ] - [ 0.0001348600000000, 0.0001108500000000, 0.0000250600000000 ] - [ 0.0021612000000000, -0.0066598800000000, 0.0011064700000000 ] - [ 0.0000518500000000, -0.0002926000000000, 0.0002575200000000 ] - [ 0.0000570500000000, -0.0002765400000000, 0.0001392600000000 ] - [ -0.0004091800000000, -0.0009593800000000, -0.0006210400000000 ] - [ 0.0002176000000000, -0.0006206900000000, -0.0001643600000000 ] - [ -0.0002896400000000, 0.0005927500000000, 0.0006492200000000 ] - [ 0.0000541900000000, -0.0000136200000000, 0.0008384200000000 ] - [ 0.0000090600000000, 0.0001667900000000, -0.0009490700000000 ] - [ 0.0001370600000000, 0.0003808500000000, -0.0007701000000000 ] - [ 0.0002901100000000, -0.0010133700000000, 0.0001636600000000 ] - [ 0.0001404600000000, -0.0005624700000000, 0.0000066200000000 ] - [ 0.0007129600000000, -0.0012879600000000, -0.0000631400000000 ] - [ 0.0002894600000000, -0.0006415600000000, -0.0005617400000000 ] - [ -0.0005044000000000, 0.0000343700000000, -0.0004490000000000 ] - [ -0.0002912100000000, 0.0001078000000000, -0.0006140300000000 ] - [ 0.0000769600000000, 0.0003691000000000, -0.0004273400000000 ] - [ -0.0002757300000000, 0.0007163400000000, -0.0006728800000000 ] - [ 0.0002974400000000, 0.0003843500000000, -0.0002448700000000 ] - [ 0.0039067200000000, 0.0036400400000000, 0.0110769000000000 ] - [ 0.0004754900000000, -0.0001686600000000, 0.0005939600000000 ] - [ 0.0002317900000000, -0.0001873300000000, 0.0008446100000000 ] - [ -0.0006340300000000, 0.0000285500000000, -0.0002447200000000 ] - [ -0.0002841000000000, 0.0000276100000000, -0.0008767400000000 ] - [ 0.0067662000000000, -0.0029874800000000, -0.0132607200000000 ] - [ 0.0006506500000000, 0.0000833000000000, -0.0000830900000000 ] - [ 0.0062654300000000, 0.0071830500000000, 0.0131760700000000 ] - [ 0.0000913400000000, 0.0002024700000000, 0.0003741800000000 ] - [ -0.0003270000000000, -0.0004094300000000, 0.0002600500000000 ] - [ -0.0002136500000000, -0.0002520300000000, 0.0003076200000000 ] - [ -0.0013380600000000, 0.0062456800000000, 0.0063187500000000 ] - [ 0.0007396300000000, 0.0015393000000000, 0.0000929700000000 ] - [ 0.0063440700000000, -0.0142554300000000, 0.0049400100000000 ] - [ -0.0002365200000000, 0.0001136200000000, 0.0004740800000000 ] - [ 0.0015747700000000, 0.0061534200000000, 0.0047149300000000 ] - [ 0.0050732900000000, 0.0094043600000000, 0.0059065200000000 ] - [ 0.0001018400000000, -0.0001218200000000, 0.0001664300000000 ] - [ 0.0002400600000000, -0.0005078500000000, 0.0005800400000000 ] - [ -0.0008601000000000, -0.0035458000000000, 0.0024940200000000 ] - [ -0.0004453300000000, 0.0002574700000000, -0.0001003100000000 ] - [ -0.0005033700000000, -0.0002004600000000, 0.0000919900000000 ] - [ -0.0021388300000000, -0.0060446400000000, -0.0028144500000000 ] - [ 0.0001029800000000, 0.0000504900000000, -0.0008621300000000 ] - [ -0.0002522200000000, -0.0002321800000000, -0.0007608200000000 ] - [ -0.0019486300000000, -0.0072303300000000, -0.0072493300000000 ] - [ 0.0005362200000000, -0.0004827300000000, 0.0001626300000000 ] - [ -0.0001109900000000, 0.0009600000000000, 0.0003859800000000 ] - [ -0.0001627700000000, 0.0012049100000000, 0.0004789000000000 ] - [ -0.0000195800000000, -0.0004099200000000, -0.0001911200000000 ] - [ -0.0000353400000000, -0.0003571300000000, -0.0000488000000000 ] - [ -0.0001563700000000, -0.0051102000000000, 0.0008057200000000 ] - [ -0.0005448400000000, -0.0007861700000000, -0.0001843800000000 ] - [ 0.0004175700000000, -0.0005378000000000, 0.0000648600000000 ] - [ 0.0001182200000000, -0.0007490300000000, 0.0001240300000000 ] - [ -0.0010594300000000, 0.0013874000000000, 0.0011761100000000 ] - [ -0.0002159600000000, 0.0010382100000000, 0.0006921300000000 ] - [ -0.0018098500000000, -0.0040787900000000, -0.0000340100000000 ] - [ -0.0017969500000000, -0.0064966100000000, -0.0029896500000000 ] - [ -0.0050691400000000, 0.0014151900000000, 0.0090278400000000 ] - [ -0.0006847400000000, -0.0000688400000000, 0.0004534000000000 ] - [ 0.0004375200000000, -0.0010965200000000, -0.0000147100000000 ] - [ 0.0000237600000000, -0.0010837500000000, -0.0002364800000000 ] - [ 0.0000214500000000, -0.0007980000000000, 0.0000771200000000 ] - [ -0.0001576600000000, -0.0005093300000000, -0.0003816400000000 ] - [ 0.0006303500000000, 0.0001036600000000, 0.0000930000000000 ] - [ 0.0005363000000000, 0.0005934100000000, -0.0003243500000000 ] - [ -0.0007783700000000, 0.0003644500000000, 0.0001746300000000 ] - [ -0.0017722600000000, 0.0007538500000000, -0.0027589800000000 ] - [ -0.0012517400000000, -0.0011591900000000, -0.0001676400000000 ] - [ 0.0009336300000000, -0.0031792300000000, -0.0043000700000000 ] - [ 0.0004498800000000, 0.0001286800000000, -0.0001954900000000 ] - [ 0.0003866300000000, 0.0000780400000000, -0.0003333100000000 ] - [ 0.0001265100000000, 0.0006890800000000, 0.0002476100000000 ] - [ -0.0004166000000000, 0.0003756500000000, 0.0007328200000000 ] - [ -0.0001653200000000, 0.0018440200000000, 0.0002204400000000 ] - [ 0.0002032800000000, 0.0017782500000000, 0.0003139500000000 ] - [ 0.0003781900000000, -0.0008332800000000, -0.0007233600000000 ] - [ 0.0001964100000000, -0.0004232400000000, -0.0010356400000000 ] - [ -0.0002739800000000, 0.0012715200000000, -0.0067330900000000 ] - [ -0.0004765700000000, 0.0006530700000000, -0.0000537400000000 ] - [ 0.0009080700000000, -0.0083897100000000, -0.0009389100000000 ] - [ -0.0003540000000000, -0.0006696800000000, -0.0004381900000000 ] - [ -0.0002371800000000, 0.0000380500000000, 0.0003049000000000 ] - [ -0.0004976500000000, -0.0004158900000000, 0.0005096900000000 ] - [ 0.0004987600000000, -0.0036724600000000, -0.0030868200000000 ] - [ -0.0035395500000000, -0.0042052200000000, -0.0020925600000000 ] - [ -0.0003426400000000, -0.0001238700000000, 0.0000306800000000 ] - [ -0.0006286800000000, -0.0000443700000000, -0.0004559900000000 ] - [ 0.0007117800000000, 0.0009051000000000, -0.0003747100000000 ] - [ 0.0003272100000000, 0.0015519700000000, 0.0000854000000000 ] - [ -0.0006042700000000, 0.0003526800000000, -0.0003892600000000 ] - [ -0.0007381900000000, 0.0006589900000000, -0.0008049600000000 ] - [ -0.0001702900000000, -0.0005025800000000, 0.0001878400000000 ] - [ -0.0005269000000000, -0.0005966700000000, 0.0006545800000000 ] - [ -0.0001218100000000, -0.0000028400000000, 0.0004730700000000 ] - [ 0.0000062200000000, -0.0001252600000000, 0.0010337900000000 ] - [ 0.0000646600000000, -0.0000763200000000, -0.0005301500000000 ] - [ 0.0001258700000000, -0.0000585700000000, -0.0008183200000000 ] - [ 0.0005043500000000, -0.0002397300000000, -0.0001011200000000 ] - [ 0.0003822500000000, -0.0003805800000000, 0.0001471700000000 ] - [ -0.0033352400000000, 0.0087304700000000, -0.0031497800000000 ] - [ 0.0006207700000000, 0.0003262200000000, -0.0000516700000000 ]- atom: 3 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0036133900000000, -0.0019676200000000, 0.0033337900000000 ] - [ 0.0032360700000000, -0.0014358000000000, -0.0002199800000000 ] - [ 0.0181475100000000, 0.0021054500000000, -0.0550879800000000 ] - [ -0.0024043600000000, 0.0017666600000000, -0.0028698400000000 ] - [ 0.0029615700000000, 0.0017338400000000, -0.0018305000000000 ] - [ -0.0062430200000000, 0.0047283500000000, 0.0020826000000000 ] - [ 0.0000043000000000, 0.0005930000000000, 0.0016866500000000 ] - [ -0.0000300900000000, 0.0007033300000000, 0.0017084900000000 ] - [ -0.0005618200000000, -0.0005737900000000, 0.0013472200000000 ] - [ -0.0004120800000000, -0.0006518000000000, 0.0042237900000000 ] - [ -0.0007229300000000, 0.0002076300000000, 0.0005736500000000 ] - [ 0.0004230300000000, -0.0010074700000000, 0.0021999900000000 ] - [ 0.0022360700000000, -0.0028928000000000, -0.0020708200000000 ] - [ -0.0004952800000000, -0.0008917900000000, -0.0010536300000000 ] - [ -0.0004541800000000, 0.0007649500000000, 0.0007313000000000 ] - [ 0.0008148800000000, 0.0006252500000000, 0.0002878100000000 ] - [ 0.0009438900000000, -0.0017095700000000, 0.0018028400000000 ] - [ -0.0023221000000000, -0.0014358800000000, 0.0043118100000000 ] - [ -0.0010898800000000, 0.0011840300000000, -0.0046707600000000 ] - [ -0.0006566800000000, -0.0026911300000000, -0.0054790800000000 ] - [ 0.0011115400000000, 0.0020480800000000, 0.0056061600000000 ] - [ -0.0005890500000000, 0.0011742200000000, 0.0010458600000000 ] - [ -0.0001482700000000, -0.0004714500000000, 0.0016266000000000 ] - [ 0.0008158600000000, -0.0002395400000000, 0.0010588600000000 ] - [ -0.0003952500000000, -0.0009100900000000, -0.0025073200000000 ] - [ -0.0005298500000000, 0.0005996900000000, -0.0008103100000000 ] - [ -0.0009170200000000, 0.0010508400000000, 0.0003764500000000 ] - [ 0.0028409000000000, 0.0022270100000000, 0.0011331800000000 ] - [ -0.0003157700000000, -0.0002397000000000, 0.0008372300000000 ] - [ 0.0000709700000000, -0.0003699300000000, 0.0002888200000000 ] - [ -0.0023690700000000, 0.0043130600000000, 0.0056741600000000 ] - [ -0.0001225600000000, 0.0003884800000000, -0.0004206500000000 ] - [ -0.0003172800000000, -0.0005422200000000, 0.0011463300000000 ] - [ 0.0000354700000000, -0.0005351600000000, 0.0009508100000000 ] - [ -0.0007263200000000, -0.0004419700000000, -0.0008023400000000 ] - [ 0.0013480000000000, 0.0004698900000000, -0.0030930100000000 ] - [ 0.0002628100000000, -0.0003797300000000, 0.0008847700000000 ] - [ -0.0001861800000000, -0.0003559200000000, 0.0010459200000000 ] - [ 0.0006557800000000, -0.0003418000000000, 0.0005261800000000 ] - [ -0.0002140900000000, -0.0005141700000000, 0.0003728900000000 ] - [ 0.0002661800000000, -0.0004727300000000, 0.0007913300000000 ] - [ 0.0004057300000000, -0.0006600500000000, 0.0009616000000000 ] - [ 0.0003431600000000, 0.0008541100000000, -0.0007370400000000 ] - [ 0.0001493600000000, 0.0002569500000000, -0.0009794900000000 ] - [ 0.0003090600000000, -0.0011241700000000, -0.0001199500000000 ] - [ 0.0001212300000000, -0.0004964500000000, -0.0001208000000000 ] - [ 0.0002026500000000, -0.0000771000000000, -0.0009729100000000 ] - [ 0.0001941500000000, -0.0007275700000000, -0.0002257200000000 ] - [ -0.0009961600000000, -0.0001550200000000, 0.0006014400000000 ] - [ -0.0017742000000000, -0.0004728700000000, 0.0018076800000000 ] - [ 0.0003926800000000, -0.0007351400000000, -0.0001268900000000 ] - [ 0.0001706900000000, 0.0000947800000000, -0.0007237300000000 ] - [ -0.0001027900000000, -0.0005354300000000, -0.0005403600000000 ] - [ -0.0016534500000000, -0.0121357400000000, 0.0103625000000000 ] - [ -0.0006821400000000, -0.0006468700000000, 0.0029963300000000 ] - [ -0.0001103700000000, -0.0002851100000000, 0.0014701900000000 ] - [ 0.0007601600000000, -0.0005449900000000, -0.0029753200000000 ] - [ -0.0004548900000000, -0.0005081100000000, -0.0005867000000000 ] - [ -0.0009535300000000, 0.0023078900000000, 0.0052565700000000 ] - [ 0.0009146200000000, -0.0000523400000000, -0.0000375900000000 ] - [ 0.0040038300000000, -0.0048891000000000, 0.0035369000000000 ] - [ -0.0011318100000000, -0.0013909000000000, -0.0017393100000000 ] - [ 0.0000185900000000, 0.0000921300000000, 0.0002227100000000 ] - [ 0.0000742300000000, 0.0003374100000000, 0.0004557800000000 ] - [ -0.0093491000000000, -0.0160757000000000, 0.0070414500000000 ] - [ 0.0002438700000000, 0.0002722600000000, 0.0002092500000000 ] - [ -0.0041769600000000, 0.0064710300000000, -0.0018187000000000 ] - [ -0.0006499400000000, 0.0013116800000000, -0.0000974100000000 ] - [ -0.0080969800000000, -0.0096905800000000, -0.0025111200000000 ] - [ -0.0027401300000000, -0.0041983500000000, -0.0013205000000000 ] - [ 0.0006094400000000, -0.0011419500000000, 0.0010761900000000 ] - [ 0.0006454900000000, -0.0015954300000000, 0.0016268800000000 ] - [ -0.0005264300000000, 0.0003835800000000, 0.0019670100000000 ] - [ 0.0011020800000000, 0.0001684600000000, 0.0005948600000000 ] - [ 0.0008166500000000, 0.0001744700000000, 0.0001259600000000 ] - [ -0.0023848100000000, 0.0026323100000000, -0.0025230500000000 ] - [ 0.0002237600000000, 0.0001571900000000, -0.0016861800000000 ] - [ -0.0002053600000000, -0.0003195800000000, -0.0009669600000000 ] - [ -0.0018919500000000, 0.0020912900000000, -0.0021922100000000 ] - [ 0.0026470200000000, 0.0010752200000000, 0.0006565500000000 ] - [ -0.0002140300000000, 0.0008636900000000, -0.0000168500000000 ] - [ -0.0000249400000000, 0.0012384300000000, -0.0003944200000000 ] - [ -0.0003763700000000, -0.0006964800000000, -0.0007186800000000 ] - [ 0.0000750500000000, -0.0005587200000000, -0.0008607300000000 ] - [ -0.0023943800000000, 0.0036198700000000, 0.0080912300000000 ] - [ -0.0002857300000000, 0.0002580600000000, 0.0003720600000000 ] - [ -0.0002822000000000, -0.0004351200000000, -0.0008531800000000 ] - [ 0.0005385200000000, -0.0005612800000000, -0.0004132300000000 ] - [ 0.0002291900000000, 0.0001245900000000, 0.0002889700000000 ] - [ -0.0006391200000000, 0.0008994100000000, 0.0008456600000000 ] - [ 0.0022070900000000, 0.0031613500000000, 0.0045318400000000 ] - [ 0.0006457900000000, 0.0027823200000000, 0.0021278700000000 ] - [ -0.0003656500000000, -0.0008006700000000, -0.0013437300000000 ] - [ -0.0008668700000000, -0.0001087100000000, 0.0003583600000000 ] - [ 0.0006354900000000, -0.0009620100000000, -0.0011547900000000 ] - [ -0.0002609700000000, -0.0004252700000000, -0.0007408900000000 ] - [ -0.0001239300000000, -0.0005729500000000, -0.0012977700000000 ] - [ -0.0003287600000000, -0.0003247800000000, -0.0010085700000000 ] - [ 0.0009965000000000, 0.0007236500000000, -0.0009893700000000 ] - [ -0.0003874600000000, 0.0010307700000000, -0.0014161900000000 ] - [ 0.0007732700000000, -0.0002100000000000, 0.0006069700000000 ] - [ -0.0010914000000000, -0.0015926500000000, 0.0045009600000000 ] - [ -0.0003264100000000, -0.0005490700000000, 0.0010756200000000 ] - [ 0.0041981000000000, 0.0112142700000000, -0.0002518600000000 ] - [ 0.0004223500000000, -0.0000308500000000, -0.0012993300000000 ] - [ 0.0000618600000000, -0.0001814600000000, -0.0010160400000000 ] - [ -0.0016472200000000, 0.0003816000000000, 0.0017367900000000 ] - [ 0.0003849800000000, 0.0002931900000000, 0.0005254300000000 ] - [ 0.0009977100000000, 0.0011730600000000, 0.0007197200000000 ] - [ -0.0008413800000000, 0.0012364500000000, 0.0008269700000000 ] - [ -0.0000501700000000, -0.0003322600000000, -0.0018879900000000 ] - [ 0.0001758800000000, -0.0000792200000000, -0.0020269200000000 ] - [ 0.0021120000000000, 0.0088900500000000, -0.0008037400000000 ] - [ 0.0003825900000000, 0.0009489900000000, 0.0006212900000000 ] - [ -0.0013281100000000, -0.0019087600000000, 0.0060998300000000 ] - [ 0.0007119300000000, 0.0003428500000000, 0.0016993800000000 ] - [ -0.0006651700000000, -0.0004978400000000, -0.0003761300000000 ] - [ -0.0003791700000000, -0.0003502200000000, 0.0003263700000000 ] - [ 0.0048216200000000, 0.0070315100000000, 0.0036002700000000 ] - [ -0.0000450100000000, 0.0014855200000000, 0.0045161900000000 ] - [ 0.0007644200000000, 0.0001011800000000, -0.0023658800000000 ] - [ -0.0008398000000000, 0.0001443300000000, -0.0008089400000000 ] - [ 0.0002456500000000, 0.0002272700000000, 0.0022020800000000 ] - [ 0.0010329700000000, 0.0000438700000000, 0.0007950600000000 ] - [ -0.0005772500000000, 0.0007267200000000, -0.0015463200000000 ] - [ -0.0010905400000000, 0.0011836700000000, -0.0020121900000000 ] - [ -0.0012954200000000, -0.0001193400000000, -0.0004034300000000 ] - [ 0.0000239700000000, -0.0002670900000000, -0.0007597700000000 ] - [ 0.0004971400000000, 0.0001579900000000, -0.0002808600000000 ] - [ 0.0000311100000000, -0.0000899200000000, -0.0016729700000000 ] - [ 0.0009718700000000, 0.0003567200000000, -0.0026921500000000 ] - [ -0.0001255800000000, 0.0000252300000000, -0.0014246100000000 ] - [ 0.0006612700000000, -0.0001993800000000, -0.0011508000000000 ] - [ 0.0012576400000000, -0.0001476200000000, -0.0020215200000000 ] - [ 0.0030457100000000, -0.0040292700000000, 0.0038576400000000 ] - [ 0.0011456500000000, -0.0004695900000000, 0.0009761000000000 ]- atom: 3 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ 0.0035529000000000, 0.0003401500000000, -0.0030912300000000 ] - [ -0.0033218000000000, -0.0002015900000000, 0.0004848400000000 ] - [ -0.0174140500000000, -0.0009075900000000, 0.0536932200000000 ] - [ 0.0029639900000000, -0.0006115800000000, 0.0017023200000000 ] - [ -0.0034581900000000, -0.0006165000000000, 0.0027090900000000 ] - [ 0.0057098500000000, -0.0035591700000000, -0.0011788300000000 ] - [ 0.0000753300000000, 0.0010418200000000, -0.0019355000000000 ] - [ 0.0001070800000000, 0.0009308700000000, -0.0019590500000000 ] - [ 0.0000785100000000, -0.0005514900000000, -0.0004486100000000 ] - [ -0.0000755100000000, -0.0004691000000000, -0.0033365700000000 ] - [ 0.0001723900000000, 0.0009464100000000, 0.0005870800000000 ] - [ -0.0009806100000000, 0.0021670300000000, -0.0010379100000000 ] - [ -0.0017308400000000, 0.0017548500000000, 0.0011641300000000 ] - [ 0.0009763000000000, -0.0002349100000000, 0.0001563000000000 ] - [ 0.0009405900000000, 0.0003583800000000, -0.0016267100000000 ] - [ -0.0003315600000000, 0.0004992700000000, -0.0011814900000000 ] - [ -0.0015005100000000, 0.0005570100000000, -0.0006540200000000 ] - [ 0.0017637300000000, 0.0002835200000000, -0.0031417200000000 ] - [ 0.0011545300000000, -0.0028113600000000, 0.0044372300000000 ] - [ 0.0007471200000000, 0.0010726300000000, 0.0052001500000000 ] - [ -0.0011789400000000, -0.0004043000000000, -0.0053271700000000 ] - [ 0.0005060200000000, 0.0004611600000000, -0.0007972400000000 ] - [ 0.0007008400000000, -0.0006819300000000, -0.0027831500000000 ] - [ -0.0002634700000000, -0.0009139300000000, -0.0022163000000000 ] - [ 0.0001104400000000, 0.0019721100000000, 0.0028012800000000 ] - [ 0.0002533000000000, 0.0004612000000000, 0.0010927300000000 ] - [ 0.0012014200000000, 0.0000161800000000, -0.0006586300000000 ] - [ -0.0025778700000000, -0.0011682200000000, -0.0014136200000000 ] - [ 0.0002352100000000, -0.0004939200000000, -0.0009298200000000 ] - [ -0.0001552200000000, -0.0003633700000000, -0.0003830300000000 ] - [ 0.0023116000000000, -0.0036320400000000, -0.0058293300000000 ] - [ 0.0000423300000000, 0.0003471800000000, 0.0003337500000000 ] - [ 0.0000380600000000, -0.0005244500000000, -0.0008619300000000 ] - [ -0.0003160800000000, -0.0005314400000000, -0.0006670300000000 ] - [ 0.0008104200000000, 0.0011749600000000, 0.0008948900000000 ] - [ -0.0012613900000000, 0.0002394900000000, 0.0031901900000000 ] - [ -0.0001790300000000, -0.0003535900000000, -0.0007923400000000 ] - [ 0.0002677000000000, -0.0003769300000000, -0.0009552800000000 ] - [ -0.0003757500000000, -0.0007250200000000, -0.0008122800000000 ] - [ 0.0004927400000000, -0.0005527600000000, -0.0006583400000000 ] - [ -0.0004739800000000, 0.0010050400000000, 0.0007870200000000 ] - [ -0.0006116000000000, 0.0011900900000000, 0.0006193600000000 ] - [ -0.0001389100000000, -0.0003250800000000, -0.0008448700000000 ] - [ 0.0000541400000000, 0.0002672000000000, -0.0006043500000000 ] - [ -0.0003100300000000, 0.0011274800000000, 0.0001193700000000 ] - [ -0.0001212800000000, 0.0004958300000000, 0.0001201600000000 ] - [ 0.0000035100000000, -0.0004546900000000, -0.0006066600000000 ] - [ 0.0000127900000000, 0.0001973400000000, -0.0013561900000000 ] - [ -0.0000161100000000, 0.0002600000000000, -0.0014047400000000 ] - [ 0.0007667100000000, 0.0005801100000000, -0.0026190500000000 ] - [ 0.0000188900000000, 0.0003337200000000, -0.0006023800000000 ] - [ 0.0002404600000000, -0.0004937400000000, -0.0000069900000000 ] - [ 0.0005163400000000, 0.0009389500000000, -0.0001883600000000 ] - [ 0.0020434800000000, 0.0127934500000000, -0.0114126800000000 ] - [ 0.0016931200000000, 0.0005422100000000, -0.0021940100000000 ] - [ 0.0011187100000000, 0.0001783100000000, -0.0006600200000000 ] - [ -0.0017706800000000, 0.0004391600000000, 0.0021673000000000 ] - [ -0.0005505300000000, 0.0003982900000000, -0.0002299600000000 ] - [ 0.0019955900000000, -0.0021883900000000, -0.0044956700000000 ] - [ 0.0000957100000000, 0.0001586400000000, 0.0008463300000000 ] - [ -0.0039665900000000, 0.0047486400000000, -0.0035877700000000 ] - [ 0.0011254800000000, 0.0013850600000000, 0.0017319500000000 ] - [ -0.0004309700000000, -0.0004931400000000, 0.0005061300000000 ] - [ -0.0004874800000000, -0.0007397400000000, 0.0002732500000000 ] - [ 0.0091701000000000, 0.0159093200000000, -0.0067703400000000 ] - [ -0.0002442400000000, -0.0002715700000000, -0.0002081100000000 ] - [ 0.0037456400000000, -0.0060355300000000, 0.0025325200000000 ] - [ 0.0002366000000000, -0.0009095100000000, 0.0008260500000000 ] - [ 0.0079665200000000, 0.0091587400000000, 0.0040800900000000 ] - [ 0.0025736500000000, 0.0037151200000000, 0.0029257900000000 ] - [ -0.0006092600000000, 0.0011396100000000, -0.0010739900000000 ] - [ -0.0006446000000000, 0.0015922500000000, -0.0016240800000000 ] - [ 0.0006656000000000, -0.0001924700000000, -0.0027763100000000 ] - [ -0.0009723100000000, -0.0000375000000000, -0.0014356900000000 ] - [ -0.0015993900000000, -0.0001187800000000, 0.0000860100000000 ] - [ 0.0016174600000000, -0.0025244700000000, 0.0025582900000000 ] - [ -0.0002447100000000, -0.0012956900000000, 0.0009216100000000 ] - [ 0.0001830100000000, -0.0008192600000000, 0.0002007100000000 ] - [ 0.0030165800000000, -0.0016767200000000, 0.0027058500000000 ] - [ -0.0014911500000000, -0.0007145600000000, -0.0001682400000000 ] - [ 0.0002345500000000, 0.0002761400000000, 0.0007801000000000 ] - [ 0.0000474200000000, -0.0000997400000000, 0.0011582500000000 ] - [ 0.0002755100000000, -0.0004024800000000, 0.0006288000000000 ] - [ -0.0001726600000000, -0.0005374200000000, 0.0007711500000000 ] - [ 0.0020515000000000, -0.0025713900000000, -0.0082039400000000 ] - [ 0.0002682200000000, 0.0008826700000000, -0.0011342200000000 ] - [ 0.0003757600000000, -0.0008927600000000, 0.0013598400000000 ] - [ -0.0004383400000000, -0.0007645500000000, 0.0009210800000000 ] - [ -0.0007169300000000, 0.0009143800000000, 0.0009925400000000 ] - [ 0.0001509800000000, 0.0001369400000000, 0.0004343100000000 ] - [ -0.0020801700000000, -0.0018530000000000, -0.0051492000000000 ] - [ -0.0007638200000000, -0.0014825000000000, -0.0026531500000000 ] - [ -0.0007877400000000, 0.0004458700000000, 0.0015628000000000 ] - [ -0.0002560600000000, -0.0002485100000000, -0.0001863900000000 ] - [ -0.0005347600000000, -0.0001378900000000, 0.0012440400000000 ] - [ 0.0003602600000000, -0.0006718800000000, 0.0008312400000000 ] - [ 0.0000286000000000, -0.0007581600000000, 0.0007929300000000 ] - [ 0.0002340600000000, -0.0010048500000000, 0.0005030600000000 ] - [ 0.0001461300000000, -0.0010810400000000, 0.0014760000000000 ] - [ 0.0015335100000000, -0.0013859300000000, 0.0019000600000000 ] - [ -0.0008741000000000, 0.0013082400000000, -0.0006986500000000 ] - [ 0.0009869400000000, 0.0026263800000000, -0.0046314300000000 ] - [ 0.0003524800000000, -0.0005894300000000, -0.0003099100000000 ] - [ -0.0041322700000000, -0.0122419800000000, 0.0009891700000000 ] - [ 0.0003562900000000, -0.0000257000000000, 0.0010810100000000 ] - [ 0.0007189000000000, 0.0001279100000000, 0.0008007500000000 ] - [ 0.0015189100000000, -0.0005130700000000, -0.0008905700000000 ] - [ -0.0005119400000000, -0.0004201800000000, 0.0003225800000000 ] - [ -0.0009058500000000, 0.0001579300000000, -0.0002179600000000 ] - [ 0.0009382000000000, 0.0000927300000000, -0.0003224800000000 ] - [ 0.0005365100000000, -0.0007067400000000, 0.0006036600000000 ] - [ 0.0003116000000000, -0.0009573000000000, 0.0007443000000000 ] - [ -0.0020367800000000, -0.0078680600000000, 0.0008459900000000 ] - [ -0.0002871900000000, 0.0001493100000000, -0.0005352400000000 ] - [ 0.0002555900000000, 0.0014994100000000, -0.0064877800000000 ] - [ -0.0018493400000000, -0.0006951400000000, -0.0021738100000000 ] - [ 0.0001756900000000, -0.0005358200000000, 0.0016576800000000 ] - [ -0.0001057600000000, -0.0006842700000000, 0.0009578900000000 ] - [ -0.0043565000000000, -0.0060091700000000, -0.0048905300000000 ] - [ 0.0004686000000000, -0.0004447200000000, -0.0058082200000000 ] - [ -0.0018934500000000, 0.0002556700000000, 0.0025412300000000 ] - [ -0.0002826700000000, 0.0002131300000000, 0.0009749600000000 ] - [ 0.0008805500000000, 0.0001311100000000, -0.0023724700000000 ] - [ 0.0000878400000000, 0.0003165800000000, -0.0009531200000000 ] - [ -0.0005682100000000, -0.0003696200000000, 0.0010585600000000 ] - [ -0.0000541700000000, -0.0008258700000000, 0.0015240600000000 ] - [ 0.0005136500000000, 0.0000614300000000, 0.0006223700000000 ] - [ -0.0008026800000000, 0.0002099200000000, 0.0009749900000000 ] - [ -0.0006231200000000, -0.0000275000000000, 0.0011176300000000 ] - [ -0.0001580300000000, 0.0002228400000000, 0.0025253800000000 ] - [ -0.0008475300000000, -0.0004883000000000, 0.0018530400000000 ] - [ 0.0002539300000000, -0.0001552800000000, 0.0005778300000000 ] - [ 0.0004610100000000, -0.0001591800000000, 0.0009833600000000 ] - [ -0.0001319100000000, -0.0002098000000000, 0.0018491100000000 ] - [ -0.0022549600000000, 0.0040663700000000, -0.0040601700000000 ] - [ -0.0003640700000000, 0.0005215100000000, -0.0011899600000000 ]- atom: 5 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0006203000000000, -0.0005888100000000, -0.0001168400000000 ] - [ 0.0005493700000000, -0.0008951800000000, -0.0000343600000000 ] - [ 0.0028206400000000, 0.0032939400000000, 0.0037736800000000 ] - [ 0.0033133800000000, -0.0026981100000000, -0.0058463600000000 ] - [ -0.0535372500000000, 0.0060665500000000, -0.0014222900000000 ] - [ 0.0060236900000000, 0.0006577100000000, 0.0011666400000000 ] - [ 0.0001304200000000, 0.0007207900000000, -0.0008611700000000 ] - [ -0.0000379500000000, 0.0008838000000000, 0.0005259900000000 ] - [ -0.0001192100000000, -0.0005374100000000, -0.0001898800000000 ] - [ -0.0003598500000000, -0.0005846700000000, 0.0009377900000000 ] - [ -0.0002564500000000, 0.0006067400000000, -0.0001563900000000 ] - [ -0.0002933600000000, 0.0005296400000000, 0.0011846100000000 ] - [ 0.0011503800000000, -0.0033242200000000, -0.0001094500000000 ] - [ 0.0011665000000000, 0.0019553200000000, -0.0008576300000000 ] - [ 0.0002637100000000, 0.0005510900000000, -0.0005045200000000 ] - [ 0.0002345400000000, 0.0005787000000000, -0.0005325800000000 ] - [ -0.0034416200000000, 0.0000774100000000, 0.0015194700000000 ] - [ 0.0013404200000000, -0.0009436000000000, 0.0004003100000000 ] - [ -0.0026168400000000, -0.0011007200000000, -0.0003472900000000 ] - [ 0.0016477900000000, -0.0007480700000000, -0.0001289400000000 ] - [ 0.0044332000000000, 0.0041142600000000, -0.0059330800000000 ] - [ 0.0043133900000000, -0.0022212000000000, 0.0065966200000000 ] - [ 0.0008637100000000, -0.0004613200000000, -0.0007022700000000 ] - [ -0.0003141100000000, -0.0008616700000000, -0.0009890700000000 ] - [ -0.0013165400000000, -0.0011791300000000, 0.0033891300000000 ] - [ 0.0010517700000000, 0.0010018000000000, -0.0008975300000000 ] - [ -0.0000328000000000, 0.0004834600000000, -0.0004024700000000 ] - [ 0.0003656400000000, 0.0005512800000000, -0.0000048200000000 ] - [ 0.0011682100000000, -0.0008552000000000, -0.0010016200000000 ] - [ -0.0016717800000000, 0.0012593900000000, 0.0024381100000000 ] - [ -0.0003407300000000, 0.0003574000000000, 0.0000844000000000 ] - [ 0.0002043700000000, 0.0003254700000000, -0.0003033900000000 ] - [ 0.0001332000000000, -0.0004739000000000, -0.0000979900000000 ] - [ -0.0004939900000000, -0.0005267000000000, 0.0002697500000000 ] - [ -0.0004733600000000, 0.0018814900000000, -0.0025616900000000 ] - [ 0.0013085400000000, -0.0000760000000000, 0.0011110600000000 ] - [ -0.0001258700000000, -0.0002712600000000, -0.0002559100000000 ] - [ 0.0002858600000000, -0.0004031600000000, 0.0002289900000000 ] - [ -0.0001892800000000, -0.0022355600000000, -0.0024459600000000 ] - [ 0.0014233000000000, 0.0000023600000000, 0.0009116300000000 ] - [ -0.0005216500000000, 0.0010209400000000, 0.0006984000000000 ] - [ 0.0003055200000000, -0.0005230200000000, 0.0008480900000000 ] - [ 0.0000042600000000, 0.0001745300000000, -0.0006708300000000 ] - [ 0.0004359600000000, 0.0006851000000000, -0.0007179600000000 ] - [ 0.0000066600000000, -0.0000053200000000, -0.0000135900000000 ] - [ -0.0000017500000000, 0.0000006600000000, 0.0000562600000000 ] - [ 0.0001036600000000, -0.0001474600000000, -0.0008013100000000 ] - [ 0.0001099000000000, -0.0003929100000000, -0.0007265300000000 ] - [ -0.0002105200000000, 0.0001520000000000, -0.0009031800000000 ] - [ -0.0007199400000000, -0.0000164800000000, -0.0000625300000000 ] - [ -0.0019452900000000, 0.0040949200000000, -0.0019090400000000 ] - [ 0.0004455700000000, -0.0014416200000000, 0.0001548700000000 ] - [ -0.0002118800000000, -0.0005398500000000, -0.0004121600000000 ] - [ 0.0006686200000000, 0.0010880900000000, -0.0002730900000000 ] - [ 0.0005642200000000, -0.0000381500000000, 0.0002946800000000 ] - [ 0.0005918700000000, -0.0000169900000000, 0.0002695300000000 ] - [ -0.0051774900000000, 0.0000128200000000, 0.0063580300000000 ] - [ 0.0000659300000000, -0.0002789000000000, -0.0021204900000000 ] - [ 0.0103619500000000, -0.0029495200000000, -0.0065287400000000 ] - [ 0.0115091000000000, 0.0019971400000000, -0.0048901200000000 ] - [ 0.0029878600000000, 0.0062817200000000, 0.0051784400000000 ] - [ 0.0003408200000000, 0.0000630700000000, 0.0003679800000000 ] - [ -0.0001558000000000, 0.0000150200000000, 0.0004591800000000 ] - [ -0.0003310500000000, -0.0005188500000000, 0.0002488100000000 ] - [ 0.0003418300000000, 0.0018602900000000, 0.0002309300000000 ] - [ -0.0023285200000000, -0.0126789100000000, -0.0016796500000000 ] - [ 0.0001226300000000, -0.0001826000000000, 0.0004188800000000 ] - [ -0.0003788500000000, 0.0004364200000000, 0.0004362400000000 ] - [ -0.0008151200000000, -0.0026845400000000, 0.0000244500000000 ] - [ 0.0000282200000000, 0.0007554400000000, 0.0012740300000000 ] - [ -0.0001187900000000, 0.0002843000000000, -0.0002632700000000 ] - [ 0.0000463300000000, -0.0001222400000000, 0.0001149000000000 ] - [ 0.0003900300000000, 0.0009771300000000, 0.0028919800000000 ] - [ -0.0066025000000000, -0.0000467100000000, 0.0042036500000000 ] - [ -0.0000484400000000, 0.0003111600000000, 0.0007629800000000 ] - [ -0.0007521900000000, -0.0004122700000000, -0.0004690900000000 ] - [ 0.0000300600000000, -0.0005717000000000, -0.0003982000000000 ] - [ -0.0000622700000000, -0.0005611700000000, -0.0002192700000000 ] - [ 0.0058760800000000, 0.0025915800000000, -0.0022100000000000 ] - [ -0.0010692100000000, 0.0004905800000000, -0.0000428800000000 ] - [ 0.0000013000000000, 0.0005734000000000, 0.0005781600000000 ] - [ 0.0000166300000000, 0.0005639700000000, 0.0002385200000000 ] - [ 0.0003814600000000, -0.0003570500000000, 0.0001447700000000 ] - [ -0.0004502200000000, -0.0006230000000000, -0.0001349800000000 ] - [ -0.0019630200000000, -0.0006941900000000, -0.0004539400000000 ] - [ 0.0140624000000000, -0.0083583700000000, -0.0000890700000000 ] - [ 0.0004331300000000, -0.0011114800000000, 0.0009156600000000 ] - [ -0.0005549300000000, -0.0004882000000000, -0.0004317300000000 ] - [ -0.0000173200000000, 0.0004575800000000, 0.0007634100000000 ] - [ -0.0004649500000000, 0.0005992500000000, 0.0006630200000000 ] - [ 0.0015414700000000, 0.0027106800000000, 0.0003256400000000 ] - [ -0.0010259100000000, 0.0001151700000000, -0.0003206500000000 ] - [ -0.0069442400000000, 0.0016230000000000, 0.0055468700000000 ] - [ 0.0010825200000000, -0.0003432600000000, 0.0027296400000000 ] - [ -0.0011004400000000, 0.0000713900000000, -0.0000191800000000 ] - [ 0.0025145300000000, -0.0035058500000000, 0.0004656000000000 ] - [ -0.0001858700000000, -0.0008048000000000, 0.0007991600000000 ] - [ 0.0000234700000000, -0.0004867900000000, -0.0013720400000000 ] - [ 0.0006693500000000, -0.0002916700000000, 0.0005432100000000 ] - [ 0.0004692300000000, -0.0001509800000000, 0.0001074800000000 ] - [ 0.0004078700000000, 0.0007670500000000, 0.0006293300000000 ] - [ -0.0006999800000000, 0.0005353000000000, -0.0006739400000000 ] - [ 0.0036320600000000, 0.0086154200000000, 0.0015405000000000 ] - [ -0.0013977200000000, -0.0017647000000000, 0.0002032800000000 ] - [ 0.0001148000000000, -0.0001503900000000, -0.0001004500000000 ] - [ 0.0007170900000000, 0.0001720000000000, -0.0000236300000000 ] - [ 0.0041908800000000, 0.0017194800000000, -0.0026522700000000 ] - [ -0.0019517500000000, -0.0001032700000000, 0.0010793500000000 ] - [ 0.0004491100000000, 0.0005885100000000, 0.0003112600000000 ] - [ -0.0003174100000000, 0.0006921600000000, 0.0002207200000000 ] - [ 0.0005500200000000, -0.0008590400000000, 0.0000125600000000 ] - [ -0.0000780500000000, -0.0001304000000000, -0.0012922200000000 ] - [ 0.0000412200000000, 0.0002799800000000, -0.0010779100000000 ] - [ -0.0000313200000000, 0.0007781500000000, 0.0010634300000000 ] - [ -0.0010509900000000, -0.0037713300000000, -0.0040816400000000 ] - [ -0.0018906000000000, -0.0000995600000000, -0.0002124400000000 ] - [ -0.0006690800000000, -0.0000679200000000, 0.0011051900000000 ] - [ 0.0000386300000000, -0.0011615200000000, -0.0001412300000000 ] - [ 0.0039331700000000, 0.0002077500000000, -0.0012593400000000 ] - [ -0.0012846300000000, 0.0002076300000000, -0.0009984500000000 ] - [ -0.0004990100000000, 0.0001759500000000, 0.0002332800000000 ] - [ -0.0007000300000000, 0.0001706200000000, 0.0001986200000000 ] - [ 0.0056906400000000, -0.0004950700000000, -0.0027875800000000 ] - [ -0.0014386800000000, 0.0003806800000000, 0.0004537700000000 ] - [ -0.0006325500000000, 0.0000194500000000, 0.0000622200000000 ] - [ -0.0004540100000000, 0.0002937400000000, -0.0003820100000000 ] - [ 0.0033535100000000, -0.0006926800000000, 0.0000603000000000 ] - [ -0.0020307800000000, 0.0003465600000000, -0.0003011400000000 ] - [ -0.0002064800000000, -0.0000019400000000, 0.0009014000000000 ] - [ 0.0000406600000000, 0.0001128700000000, 0.0000884100000000 ] - [ -0.0000658000000000, -0.0000844700000000, -0.0003512500000000 ] - [ 0.0001357600000000, -0.0001006700000000, -0.0002522000000000 ] - [ 0.0004135600000000, -0.0002225600000000, 0.0004004800000000 ] - [ 0.0006759500000000, -0.0001513900000000, -0.0004426500000000 ] - [ 0.0006276100000000, 0.0006858300000000, -0.0009209800000000 ] - [ 0.0000612100000000, -0.0004674500000000, 0.0005726100000000 ]- atom: 5 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0005416900000000, -0.0010469100000000, 0.0003840900000000 ] - [ -0.0006292000000000, -0.0007375700000000, 0.0002857400000000 ] - [ -0.0022666900000000, -0.0021710700000000, -0.0049700700000000 ] - [ -0.0027632900000000, 0.0038257300000000, 0.0046498700000000 ] - [ 0.0526197600000000, -0.0044739700000000, 0.0022319600000000 ] - [ -0.0065101700000000, 0.0004653500000000, -0.0002770800000000 ] - [ -0.0000479600000000, 0.0009135500000000, 0.0006061000000000 ] - [ 0.0001144000000000, 0.0007504000000000, -0.0007807900000000 ] - [ -0.0003658400000000, -0.0005924300000000, 0.0010789100000000 ] - [ -0.0001244800000000, -0.0005452800000000, -0.0000486000000000 ] - [ -0.0002985300000000, 0.0005479400000000, 0.0013189700000000 ] - [ -0.0002562900000000, 0.0006268800000000, -0.0000224800000000 ] - [ -0.0006451900000000, 0.0022206500000000, -0.0007810400000000 ] - [ -0.0007006300000000, -0.0030636400000000, -0.0000367700000000 ] - [ 0.0002218600000000, 0.0005782400000000, -0.0003827800000000 ] - [ 0.0002498600000000, 0.0005507600000000, -0.0003604300000000 ] - [ 0.0028831700000000, -0.0012330200000000, -0.0003654900000000 ] - [ -0.0018921900000000, -0.0002131000000000, 0.0007688100000000 ] - [ 0.0026969300000000, -0.0005351100000000, 0.0001042100000000 ] - [ -0.0015688100000000, -0.0008852200000000, -0.0001331700000000 ] - [ -0.0045191200000000, -0.0025147200000000, 0.0062407900000000 ] - [ -0.0043791800000000, 0.0038231700000000, -0.0062885000000000 ] - [ -0.0003119500000000, -0.0006927200000000, -0.0004549000000000 ] - [ 0.0008643600000000, -0.0002971100000000, -0.0001856900000000 ] - [ 0.0010678800000000, 0.0022488400000000, -0.0030994500000000 ] - [ -0.0013276700000000, 0.0000724500000000, 0.0011735400000000 ] - [ 0.0003079400000000, 0.0005872700000000, 0.0001193300000000 ] - [ -0.0000861600000000, 0.0005182200000000, -0.0002823800000000 ] - [ -0.0012515500000000, 0.0001262600000000, 0.0009186300000000 ] - [ 0.0015632300000000, -0.0019986000000000, -0.0025394700000000 ] - [ 0.0002643500000000, 0.0003777400000000, -0.0001753100000000 ] - [ -0.0002856000000000, 0.0004086300000000, 0.0002078600000000 ] - [ -0.0004105700000000, -0.0005970100000000, 0.0003857100000000 ] - [ 0.0002109000000000, -0.0005421900000000, 0.0000130000000000 ] - [ 0.0005322400000000, -0.0011433600000000, 0.0026497300000000 ] - [ -0.0012324300000000, 0.0008136500000000, -0.0010240800000000 ] - [ 0.0002098600000000, -0.0004623700000000, 0.0003475200000000 ] - [ -0.0002066100000000, -0.0003320700000000, -0.0001334200000000 ] - [ 0.0004868400000000, 0.0011722100000000, 0.0021671500000000 ] - [ -0.0011410000000000, -0.0010684300000000, -0.0011914800000000 ] - [ 0.0003156300000000, -0.0004915800000000, 0.0008797300000000 ] - [ -0.0005126500000000, 0.0010561100000000, 0.0007284900000000 ] - [ 0.0002052000000000, 0.0003646600000000, -0.0009043100000000 ] - [ -0.0002280800000000, -0.0001548200000000, -0.0008624000000000 ] - [ -0.0000060500000000, 0.0000034200000000, 0.0000131700000000 ] - [ 0.0000014600000000, -0.0000005800000000, -0.0000560000000000 ] - [ 0.0001082400000000, -0.0003935600000000, -0.0007743600000000 ] - [ 0.0000975900000000, -0.0001404200000000, -0.0008507000000000 ] - [ -0.0007944300000000, -0.0000443300000000, 0.0000833900000000 ] - [ -0.0002865400000000, 0.0001238400000000, -0.0007532100000000 ] - [ 0.0023415300000000, -0.0044489100000000, 0.0011364200000000 ] - [ -0.0000299100000000, 0.0010351600000000, -0.0008839400000000 ] - [ 0.0006204400000000, 0.0009321200000000, -0.0003203000000000 ] - [ -0.0002583100000000, -0.0006909400000000, -0.0004569200000000 ] - [ 0.0004390800000000, -0.0000700900000000, 0.0005255700000000 ] - [ 0.0004164500000000, -0.0000896000000000, 0.0005435500000000 ] - [ 0.0041916800000000, -0.0001921600000000, -0.0071969800000000 ] - [ -0.0010721500000000, 0.0001710400000000, 0.0013054800000000 ] - [ -0.0095637100000000, 0.0031211600000000, 0.0072634800000000 ] - [ -0.0102497100000000, -0.0017788900000000, 0.0057906800000000 ] - [ -0.0029703900000000, -0.0062853100000000, -0.0051317000000000 ] - [ -0.0003469000000000, -0.0000732600000000, -0.0003809800000000 ] - [ -0.0002534400000000, -0.0004098800000000, 0.0002728400000000 ] - [ -0.0000837800000000, 0.0001156700000000, 0.0004820600000000 ] - [ -0.0003428700000000, -0.0018748500000000, -0.0002337500000000 ] - [ 0.0023753500000000, 0.0126677800000000, 0.0016901300000000 ] - [ -0.0005348800000000, 0.0005801500000000, 0.0003144700000000 ] - [ -0.0000350300000000, -0.0000317500000000, 0.0002932600000000 ] - [ 0.0006283000000000, 0.0021968500000000, 0.0015896900000000 ] - [ -0.0002407300000000, -0.0012980500000000, 0.0003007100000000 ] - [ 0.0001197300000000, -0.0002864700000000, 0.0002652000000000 ] - [ -0.0000474000000000, 0.0001244200000000, -0.0001171500000000 ] - [ -0.0005708800000000, -0.0007740400000000, -0.0038339100000000 ] - [ 0.0066648500000000, 0.0001496600000000, -0.0050512900000000 ] - [ -0.0007291500000000, -0.0002530800000000, -0.0005429300000000 ] - [ -0.0000318300000000, 0.0004676500000000, 0.0006909100000000 ] - [ -0.0000517200000000, -0.0005596300000000, -0.0003700200000000 ] - [ 0.0000409500000000, -0.0005716800000000, -0.0005447700000000 ] - [ -0.0047867600000000, -0.0024213500000000, 0.0027468800000000 ] - [ 0.0022155300000000, -0.0001262800000000, 0.0005314700000000 ] - [ 0.0000186400000000, 0.0005598600000000, 0.0001875900000000 ] - [ 0.0000038000000000, 0.0005705100000000, 0.0005264000000000 ] - [ -0.0004897600000000, -0.0007492000000000, -0.0002331300000000 ] - [ 0.0003438200000000, -0.0004871700000000, 0.0000391400000000 ] - [ 0.0019462500000000, 0.0018438500000000, -0.0003107500000000 ] - [ -0.0137126000000000, 0.0089721800000000, -0.0006707800000000 ] - [ -0.0003422500000000, -0.0002121400000000, -0.0004142600000000 ] - [ 0.0006566900000000, -0.0008280900000000, 0.0009333700000000 ] - [ -0.0004772000000000, 0.0005857100000000, 0.0005104400000000 ] - [ -0.0000253200000000, 0.0004410000000000, 0.0006167600000000 ] - [ -0.0016625700000000, -0.0014151600000000, -0.0008473100000000 ] - [ 0.0009294700000000, 0.0012106800000000, -0.0001785000000000 ] - [ 0.0058934000000000, -0.0020082400000000, -0.0053906200000000 ] - [ -0.0018796600000000, 0.0000802600000000, -0.0025042000000000 ] - [ 0.0012069300000000, -0.0011766200000000, 0.0001086900000000 ] - [ -0.0023874900000000, 0.0023716600000000, -0.0003571800000000 ] - [ 0.0000833000000000, -0.0005157200000000, -0.0013079800000000 ] - [ -0.0001182900000000, -0.0008347300000000, 0.0008640400000000 ] - [ 0.0004764000000000, -0.0000595200000000, -0.0000601200000000 ] - [ 0.0006755300000000, -0.0002029700000000, 0.0003801100000000 ] - [ -0.0005076800000000, 0.0003401400000000, -0.0007202400000000 ] - [ 0.0005907600000000, 0.0005756700000000, 0.0005827800000000 ] - [ -0.0036245600000000, -0.0097373800000000, -0.0007776600000000 ] - [ 0.0014188900000000, 0.0006429600000000, 0.0005650500000000 ] - [ 0.0006660600000000, 0.0000933600000000, -0.0001219900000000 ] - [ 0.0000680800000000, -0.0002254200000000, -0.0001923000000000 ] - [ -0.0043607900000000, -0.0018106700000000, 0.0035252300000000 ] - [ 0.0018201800000000, -0.0000248300000000, -0.0002204000000000 ] - [ -0.0003507300000000, 0.0007365600000000, 0.0001860300000000 ] - [ 0.0004159100000000, 0.0006287200000000, 0.0002851600000000 ] - [ -0.0000642000000000, -0.0001797500000000, -0.0012916200000000 ] - [ 0.0005710000000000, -0.0009100200000000, 0.0000123500000000 ] - [ 0.0000621700000000, 0.0008299500000000, 0.0011761900000000 ] - [ 0.0001423300000000, 0.0003333000000000, -0.0009644300000000 ] - [ -0.0001090700000000, 0.0034135900000000, 0.0035649200000000 ] - [ 0.0007521300000000, -0.0002483500000000, -0.0002658600000000 ] - [ 0.0001726200000000, -0.0009772700000000, 0.0001694400000000 ] - [ -0.0005233400000000, 0.0001190800000000, 0.0014187300000000 ] - [ -0.0034429600000000, 0.0008232600000000, -0.0000113300000000 ] - [ 0.0017757600000000, 0.0008386100000000, -0.0002717600000000 ] - [ -0.0006248100000000, 0.0001811900000000, -0.0000682400000000 ] - [ -0.0004261300000000, 0.0001859600000000, -0.0000247600000000 ] - [ -0.0045442300000000, 0.0008925900000000, 0.0026203200000000 ] - [ 0.0025620600000000, -0.0000286300000000, -0.0006237600000000 ] - [ -0.0005128500000000, 0.0003330300000000, -0.0005490700000000 ] - [ -0.0006889100000000, 0.0000577300000000, -0.0001008400000000 ] - [ -0.0041242800000000, 0.0006206200000000, 0.0001613800000000 ] - [ 0.0012475500000000, -0.0003976700000000, 0.0005143300000000 ] - [ 0.0000730000000000, 0.0001267800000000, -0.0000435800000000 ] - [ -0.0001760100000000, 0.0000127400000000, 0.0007713400000000 ] - [ 0.0002016900000000, -0.0000401300000000, -0.0005117200000000 ] - [ -0.0000020500000000, -0.0000253300000000, -0.0006022200000000 ] - [ 0.0007087200000000, -0.0001353600000000, -0.0005688300000000 ] - [ 0.0004495400000000, -0.0002053700000000, 0.0002712100000000 ] - [ 0.0001488800000000, -0.0006332100000000, 0.0007022500000000 ] - [ 0.0007272300000000, 0.0005172100000000, -0.0007883200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000581800000000, -0.0013205900000000, 0.0004288400000000 ] - [ -0.0000520400000000, -0.0008993500000000, 0.0001270900000000 ] - [ 0.0033363300000000, -0.0012130700000000, 0.0018075500000000 ] - [ -0.0029249300000000, -0.0000462500000000, 0.0026469700000000 ] - [ 0.0048897400000000, -0.0657623800000000, 0.0050941200000000 ] - [ -0.0001440400000000, -0.0008036400000000, 0.0006489500000000 ] - [ -0.0001026700000000, 0.0008763800000000, 0.0000097600000000 ] - [ 0.0001627300000000, 0.0008337100000000, 0.0000404100000000 ] - [ -0.0002696300000000, -0.0005663600000000, 0.0004700200000000 ] - [ -0.0002217300000000, -0.0005700600000000, 0.0004904700000000 ] - [ -0.0001732700000000, 0.0005765300000000, 0.0003983200000000 ] - [ -0.0003625800000000, 0.0005505900000000, 0.0004781400000000 ] - [ -0.0025478400000000, 0.0038113500000000, -0.0016890500000000 ] - [ 0.0027687700000000, 0.0041917200000000, -0.0003297300000000 ] - [ 0.0002552400000000, 0.0006183200000000, -0.0005098700000000 ] - [ 0.0002277200000000, 0.0006093100000000, -0.0003492900000000 ] - [ -0.0002780900000000, 0.0058697400000000, -0.0018875800000000 ] - [ -0.0002348000000000, -0.0000483200000000, 0.0002437600000000 ] - [ -0.0008812100000000, 0.0047513600000000, 0.0008913800000000 ] - [ 0.0000447200000000, -0.0002912300000000, 0.0001198400000000 ] - [ 0.0034135300000000, -0.0013983600000000, -0.0027003000000000 ] - [ -0.0029615600000000, -0.0010297800000000, -0.0027985600000000 ] - [ 0.0003066500000000, -0.0006444300000000, -0.0005549400000000 ] - [ 0.0002548600000000, -0.0009058900000000, -0.0004911500000000 ] - [ -0.0020899500000000, 0.0006070700000000, -0.0041948000000000 ] - [ 0.0001320400000000, 0.0006121900000000, -0.0002950000000000 ] - [ 0.0000456100000000, 0.0007040100000000, 0.0000138200000000 ] - [ 0.0001467900000000, 0.0005698400000000, -0.0001116200000000 ] - [ -0.0002758400000000, -0.0002628800000000, 0.0003514000000000 ] - [ 0.0019714200000000, 0.0008560900000000, 0.0045570600000000 ] - [ 0.0000590000000000, 0.0005364500000000, 0.0001361100000000 ] - [ -0.0000611800000000, 0.0004305400000000, 0.0000023800000000 ] - [ -0.0001126500000000, -0.0004911900000000, 0.0000803700000000 ] - [ -0.0001985400000000, -0.0004035900000000, 0.0000504500000000 ] - [ 0.0016300500000000, -0.0000423200000000, -0.0029693200000000 ] - [ -0.0002318200000000, 0.0004222400000000, -0.0003827300000000 ] - [ 0.0000670200000000, -0.0002496900000000, -0.0001095700000000 ] - [ 0.0000614800000000, -0.0003311500000000, 0.0000218400000000 ] - [ -0.0016280600000000, -0.0004038100000000, 0.0027578800000000 ] - [ 0.0005095700000000, -0.0004020300000000, 0.0003059200000000 ] - [ 0.0001497600000000, -0.0001223100000000, 0.0010033200000000 ] - [ 0.0001498800000000, -0.0002487000000000, 0.0010250500000000 ] - [ 0.0010892800000000, 0.0020157800000000, 0.0001882200000000 ] - [ 0.0004419500000000, 0.0010361900000000, -0.0004512300000000 ] - [ 0.0000355800000000, -0.0001606600000000, 0.0000026200000000 ] - [ 0.0000363200000000, -0.0001343500000000, 0.0000263400000000 ] - [ -0.0004367500000000, 0.0007260000000000, -0.0011580200000000 ] - [ 0.0000623000000000, -0.0001955500000000, -0.0008246900000000 ] - [ -0.0005032200000000, 0.0000385500000000, -0.0004032800000000 ] - [ -0.0005190000000000, 0.0000406300000000, -0.0003836300000000 ] - [ 0.0021763900000000, -0.0037654000000000, -0.0017819400000000 ] - [ 0.0004795900000000, -0.0008480500000000, -0.0001450300000000 ] - [ -0.0001753600000000, -0.0004571100000000, -0.0006564900000000 ] - [ 0.0000130100000000, -0.0002025500000000, -0.0005045800000000 ] - [ 0.0004374400000000, -0.0000852400000000, 0.0004951700000000 ] - [ 0.0005261600000000, -0.0000514800000000, 0.0003959600000000 ] - [ -0.0016693100000000, 0.0228544000000000, -0.0000872400000000 ] - [ -0.0005209900000000, 0.0000296800000000, -0.0003295700000000 ] - [ -0.0020732900000000, 0.0006427300000000, 0.0025788500000000 ] - [ 0.0043345100000000, -0.0005486400000000, -0.0035723800000000 ] - [ 0.0059770700000000, 0.0122098600000000, 0.0102890600000000 ] - [ -0.0003633800000000, -0.0000103300000000, 0.0000124600000000 ] - [ -0.0001396700000000, -0.0000731100000000, 0.0004173600000000 ] - [ 0.0004464600000000, 0.0009769400000000, 0.0007439000000000 ] - [ 0.0006546200000000, 0.0011539900000000, 0.0000518400000000 ] - [ 0.0011213100000000, 0.0178276600000000, 0.0023260100000000 ] - [ -0.0006193800000000, 0.0014466800000000, 0.0001702500000000 ] - [ -0.0010886900000000, 0.0018410300000000, -0.0002698800000000 ] - [ -0.0003051300000000, 0.0008595800000000, 0.0030550300000000 ] - [ -0.0003597800000000, -0.0008196200000000, 0.0005054000000000 ] - [ 0.0000366400000000, -0.0000452400000000, 0.0000607700000000 ] - [ 0.0000195900000000, -0.0000385200000000, 0.0000467100000000 ] - [ 0.0018553700000000, 0.0033780500000000, -0.0009878700000000 ] - [ -0.0020652200000000, 0.0014336600000000, 0.0025364800000000 ] - [ -0.0000747400000000, 0.0004908700000000, -0.0000464200000000 ] - [ -0.0003015900000000, 0.0004000000000000, 0.0000065900000000 ] - [ -0.0000730500000000, -0.0004595100000000, -0.0004617900000000 ] - [ -0.0000263700000000, -0.0004834700000000, -0.0003767200000000 ] - [ 0.0025074300000000, 0.0070533000000000, -0.0047912000000000 ] - [ 0.0012731200000000, 0.0003057800000000, 0.0002072500000000 ] - [ 0.0000019500000000, 0.0006518600000000, 0.0003557100000000 ] - [ -0.0000211300000000, 0.0006793700000000, 0.0003722800000000 ] - [ -0.0001965500000000, -0.0011199500000000, -0.0011153600000000 ] - [ -0.0001080800000000, -0.0006241400000000, -0.0001480600000000 ] - [ -0.0014327800000000, 0.0005575800000000, -0.0006052700000000 ] - [ -0.0113857500000000, 0.0089864600000000, -0.0009666200000000 ] - [ -0.0007987400000000, -0.0019202800000000, 0.0003458700000000 ] - [ -0.0002510900000000, -0.0014924400000000, 0.0000951700000000 ] - [ 0.0001186700000000, -0.0002880600000000, 0.0007605400000000 ] - [ -0.0002329200000000, 0.0004258300000000, 0.0006418800000000 ] - [ 0.0007315000000000, 0.0008636000000000, -0.0008318300000000 ] - [ 0.0004492100000000, 0.0009359100000000, -0.0002212900000000 ] - [ 0.0013412600000000, -0.0000846400000000, -0.0015064200000000 ] - [ -0.0018033900000000, 0.0037112400000000, 0.0011364400000000 ] - [ -0.0004654400000000, -0.0002319000000000, 0.0000652400000000 ] - [ -0.0018060700000000, 0.0021233500000000, 0.0005569500000000 ] - [ -0.0000240500000000, -0.0002794500000000, -0.0004776900000000 ] - [ -0.0002140300000000, -0.0002953800000000, -0.0006651000000000 ] - [ 0.0006150500000000, -0.0000732200000000, 0.0001935100000000 ] - [ 0.0005623700000000, -0.0001121900000000, 0.0002103000000000 ] - [ 0.0006308100000000, -0.0005358500000000, -0.0001222900000000 ] - [ 0.0001812400000000, -0.0005158800000000, -0.0000763200000000 ] - [ -0.0013224900000000, -0.0112823900000000, -0.0008099200000000 ] - [ -0.0002136100000000, -0.0017635000000000, 0.0005417200000000 ] - [ 0.0003504200000000, -0.0001529800000000, -0.0001043700000000 ] - [ 0.0000101500000000, -0.0009012000000000, -0.0001829400000000 ] - [ 0.0031355000000000, -0.0089474700000000, -0.0046772300000000 ] - [ -0.0002662300000000, -0.0003362100000000, 0.0002905000000000 ] - [ 0.0001940400000000, 0.0002731500000000, 0.0012838900000000 ] - [ 0.0000617100000000, 0.0006240500000000, 0.0003392900000000 ] - [ 0.0000713000000000, -0.0001586700000000, -0.0005975100000000 ] - [ 0.0000544700000000, -0.0000451500000000, -0.0006069100000000 ] - [ 0.0001100300000000, 0.0009267400000000, 0.0003289200000000 ] - [ 0.0001163200000000, 0.0009967900000000, 0.0003819700000000 ] - [ -0.0037004100000000, -0.0084549900000000, -0.0075818100000000 ] - [ 0.0000721600000000, -0.0010030300000000, -0.0001369200000000 ] - [ -0.0000698600000000, -0.0018649100000000, -0.0001527800000000 ] - [ -0.0005386900000000, -0.0016256500000000, 0.0002492700000000 ] - [ -0.0008335200000000, 0.0035027500000000, 0.0004699100000000 ] - [ 0.0000953200000000, 0.0010870700000000, -0.0003053700000000 ] - [ -0.0005559700000000, 0.0001429500000000, -0.0000728500000000 ] - [ -0.0005741900000000, 0.0001560200000000, 0.0001020100000000 ] - [ -0.0007769900000000, -0.0016591300000000, 0.0021977700000000 ] - [ 0.0007500900000000, -0.0000485300000000, 0.0000368800000000 ] - [ -0.0005849700000000, 0.0002369000000000, -0.0002961600000000 ] - [ -0.0005744800000000, 0.0002363500000000, -0.0002985100000000 ] - [ 0.0001411400000000, 0.0035892200000000, -0.0007380300000000 ] - [ -0.0002984200000000, 0.0005535700000000, -0.0002698400000000 ] - [ -0.0000682800000000, 0.0000270300000000, 0.0004220300000000 ] - [ -0.0000584100000000, 0.0000411300000000, 0.0004064000000000 ] - [ 0.0001042800000000, -0.0000490400000000, -0.0005053400000000 ] - [ 0.0000689100000000, -0.0000791600000000, -0.0003649900000000 ] - [ 0.0005753200000000, -0.0002131100000000, -0.0000773400000000 ] - [ 0.0005537600000000, -0.0002058500000000, -0.0001199900000000 ] - [ 0.0009136000000000, -0.0011204000000000, 0.0004578400000000 ] - [ 0.0001844000000000, -0.0011967600000000, 0.0006807100000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000207500000000, -0.0003192300000000, -0.0001668100000000 ] - [ -0.0000270400000000, -0.0007359000000000, 0.0001273300000000 ] - [ -0.0027846500000000, 0.0023967900000000, -0.0029776800000000 ] - [ 0.0034799600000000, 0.0012212700000000, -0.0038180100000000 ] - [ -0.0056574900000000, 0.0669076600000000, -0.0042522400000000 ] - [ -0.0003379400000000, 0.0019421400000000, 0.0002410900000000 ] - [ 0.0001797900000000, 0.0007563200000000, -0.0002598800000000 ] - [ -0.0000821200000000, 0.0007980400000000, -0.0002912900000000 ] - [ -0.0002159200000000, -0.0005610900000000, 0.0004224000000000 ] - [ -0.0002622600000000, -0.0005576600000000, 0.0004022500000000 ] - [ -0.0003784900000000, 0.0005758700000000, 0.0007596700000000 ] - [ -0.0001911900000000, 0.0006015200000000, 0.0006803100000000 ] - [ 0.0030008900000000, -0.0049519600000000, 0.0007954700000000 ] - [ -0.0022494500000000, -0.0053166300000000, -0.0005593200000000 ] - [ 0.0002300700000000, 0.0005100900000000, -0.0003840000000000 ] - [ 0.0002564500000000, 0.0005186400000000, -0.0005419300000000 ] - [ -0.0002740600000000, -0.0070256200000000, 0.0030755200000000 ] - [ -0.0003174200000000, -0.0011066200000000, 0.0009173500000000 ] - [ 0.0009604800000000, -0.0063714600000000, -0.0011721400000000 ] - [ 0.0000338300000000, -0.0013437400000000, -0.0003740400000000 ] - [ -0.0034876400000000, 0.0030654600000000, 0.0029488200000000 ] - [ 0.0028735400000000, 0.0026894500000000, 0.0030518000000000 ] - [ 0.0002457700000000, -0.0005111300000000, -0.0006053400000000 ] - [ 0.0002967200000000, -0.0002523800000000, -0.0006745100000000 ] - [ 0.0017988500000000, 0.0004343700000000, 0.0044679500000000 ] - [ -0.0004119600000000, 0.0004537100000000, 0.0005836800000000 ] - [ 0.0002321800000000, 0.0003678900000000, -0.0002996700000000 ] - [ 0.0001326100000000, 0.0005002700000000, -0.0001752700000000 ] - [ 0.0001967300000000, -0.0004739700000000, -0.0004466300000000 ] - [ -0.0020348000000000, -0.0016038700000000, -0.0046201900000000 ] - [ -0.0001380700000000, 0.0001998600000000, -0.0002266200000000 ] - [ -0.0000196200000000, 0.0003043000000000, -0.0000956400000000 ] - [ -0.0001668300000000, -0.0005763400000000, 0.0002066300000000 ] - [ -0.0000812700000000, -0.0006630100000000, 0.0002350500000000 ] - [ -0.0015414900000000, 0.0007552600000000, 0.0030519300000000 ] - [ 0.0003151500000000, 0.0003070900000000, 0.0004805000000000 ] - [ 0.0000151500000000, -0.0004824700000000, 0.0002044000000000 ] - [ 0.0000196200000000, -0.0004013400000000, 0.0000698700000000 ] - [ 0.0018933400000000, -0.0006785900000000, -0.0030297400000000 ] - [ -0.0002308100000000, -0.0006698600000000, -0.0005947300000000 ] - [ -0.0003580500000000, 0.0006561600000000, 0.0005746100000000 ] - [ -0.0003581900000000, 0.0007828200000000, 0.0005528800000000 ] - [ -0.0008810800000000, -0.0014833300000000, -0.0017675700000000 ] - [ -0.0002330000000000, -0.0004959200000000, -0.0011249700000000 ] - [ -0.0000346900000000, 0.0001574400000000, -0.0000031500000000 ] - [ -0.0000356600000000, 0.0001314500000000, -0.0000260900000000 ] - [ 0.0006418200000000, -0.0012534800000000, -0.0004217800000000 ] - [ 0.0001457600000000, -0.0003381100000000, -0.0007539500000000 ] - [ -0.0005042800000000, 0.0000682600000000, -0.0004101800000000 ] - [ -0.0004890000000000, 0.0000661100000000, -0.0004283700000000 ] - [ -0.0017967700000000, 0.0034521300000000, 0.0010043000000000 ] - [ -0.0000693900000000, 0.0004522200000000, -0.0005864300000000 ] - [ 0.0005879000000000, 0.0008573700000000, -0.0000734700000000 ] - [ 0.0004025900000000, 0.0006089200000000, -0.0002231000000000 ] - [ 0.0005693600000000, -0.0000222000000000, 0.0003181500000000 ] - [ 0.0004809900000000, -0.0000559000000000, 0.0004172700000000 ] - [ 0.0006520900000000, -0.0222283900000000, -0.0008118800000000 ] - [ -0.0004855900000000, -0.0001362000000000, -0.0004856200000000 ] - [ 0.0031065700000000, -0.0005533000000000, -0.0018437900000000 ] - [ -0.0033383100000000, 0.0006537400000000, 0.0044220400000000 ] - [ -0.0060500400000000, -0.0123059100000000, -0.0102444300000000 ] - [ 0.0003637500000000, 0.0000126300000000, -0.0000082300000000 ] - [ -0.0002725800000000, -0.0003276000000000, 0.0003125900000000 ] - [ -0.0008566700000000, -0.0013726100000000, -0.0000137500000000 ] - [ -0.0006536600000000, -0.0011465500000000, -0.0000493600000000 ] - [ -0.0010126000000000, -0.0178545200000000, -0.0023095400000000 ] - [ 0.0002046200000000, -0.0010381200000000, 0.0005567700000000 ] - [ 0.0006735700000000, -0.0014370300000000, 0.0009989900000000 ] - [ 0.0001375100000000, -0.0013056200000000, -0.0014407700000000 ] - [ 0.0001562800000000, 0.0002946800000000, 0.0010772800000000 ] - [ -0.0000356200000000, 0.0000433200000000, -0.0000587500000000 ] - [ -0.0000192400000000, 0.0000373800000000, -0.0000454800000000 ] - [ -0.0017949300000000, -0.0032161900000000, 0.0001432000000000 ] - [ 0.0022058600000000, -0.0013064100000000, -0.0034065600000000 ] - [ -0.0007037700000000, -0.0004363500000000, 0.0002632500000000 ] - [ -0.0004822700000000, -0.0003492700000000, 0.0002097300000000 ] - [ 0.0000502200000000, -0.0006716200000000, -0.0003055900000000 ] - [ 0.0000041900000000, -0.0006498400000000, -0.0003887700000000 ] - [ -0.0016779900000000, -0.0072661200000000, 0.0054786500000000 ] - [ -0.0001303900000000, 0.0000444300000000, 0.0002754400000000 ] - [ 0.0000187500000000, 0.0004853800000000, 0.0004086500000000 ] - [ 0.0000419300000000, 0.0004591800000000, 0.0003924200000000 ] - [ 0.0000925400000000, 0.0000180900000000, 0.0010156400000000 ] - [ 0.0000062100000000, -0.0004752300000000, 0.0000579200000000 ] - [ 0.0014157500000000, 0.0005659400000000, -0.0001600800000000 ] - [ 0.0118825200000000, -0.0083284800000000, 0.0002209800000000 ] - [ 0.0008979500000000, 0.0005900500000000, 0.0001555700000000 ] - [ 0.0003459300000000, 0.0001590700000000, 0.0004061500000000 ] - [ -0.0006056300000000, 0.0013216600000000, 0.0005222500000000 ] - [ -0.0002561900000000, 0.0006128900000000, 0.0006385100000000 ] - [ -0.0008503100000000, 0.0004112800000000, 0.0003113400000000 ] - [ -0.0005475900000000, 0.0003874500000000, -0.0002835100000000 ] - [ -0.0024774400000000, -0.0002580500000000, 0.0017198500000000 ] - [ 0.0007556000000000, -0.0040331100000000, -0.0009613400000000 ] - [ 0.0005698400000000, -0.0008738900000000, 0.0000260500000000 ] - [ 0.0019251700000000, -0.0032715000000000, -0.0004664000000000 ] - [ -0.0000718100000000, -0.0010485300000000, -0.0000233000000000 ] - [ 0.0001189700000000, -0.0010307500000000, 0.0001636700000000 ] - [ 0.0005303800000000, -0.0002790600000000, 0.0002904000000000 ] - [ 0.0005823700000000, -0.0002410400000000, 0.0002744700000000 ] - [ -0.0007354100000000, 0.0016362000000000, 0.0000333100000000 ] - [ -0.0002817800000000, 0.0016112800000000, -0.0000112300000000 ] - [ 0.0013008600000000, 0.0101098000000000, 0.0015564600000000 ] - [ 0.0002397500000000, 0.0006212200000000, 0.0002205100000000 ] - [ 0.0004309100000000, 0.0000963400000000, -0.0001146100000000 ] - [ 0.0007697400000000, 0.0008444000000000, -0.0000379000000000 ] - [ -0.0032259800000000, 0.0088214700000000, 0.0054538900000000 ] - [ 0.0001349400000000, 0.0002134800000000, 0.0005588300000000 ] - [ -0.0000976200000000, 0.0010579100000000, -0.0007729900000000 ] - [ 0.0000342900000000, 0.0007058100000000, 0.0001639100000000 ] - [ 0.0004161500000000, -0.0008808500000000, -0.0006823600000000 ] - [ 0.0004352900000000, -0.0009945900000000, -0.0006738300000000 ] - [ -0.0000097200000000, 0.0001762600000000, -0.0002421500000000 ] - [ -0.0000133600000000, 0.0001065800000000, -0.0002928500000000 ] - [ 0.0025911700000000, 0.0081354700000000, 0.0070971500000000 ] - [ -0.0012186000000000, 0.0006449400000000, -0.0003475900000000 ] - [ -0.0004139800000000, 0.0008282300000000, 0.0014302600000000 ] - [ 0.0000409300000000, 0.0005850500000000, 0.0010248500000000 ] - [ 0.0013175900000000, -0.0024621800000000, -0.0017634800000000 ] - [ 0.0003905100000000, -0.0000551900000000, -0.0009790900000000 ] - [ -0.0005677400000000, 0.0002138000000000, 0.0002384300000000 ] - [ -0.0005499900000000, 0.0002009400000000, 0.0000662600000000 ] - [ 0.0018822600000000, 0.0022665400000000, -0.0023540900000000 ] - [ 0.0003732700000000, 0.0004126800000000, -0.0002022300000000 ] - [ -0.0005595300000000, 0.0001181900000000, -0.0001898300000000 ] - [ -0.0005699100000000, 0.0001188800000000, -0.0001870400000000 ] - [ -0.0009073900000000, -0.0036477200000000, 0.0009410000000000 ] - [ -0.0004822700000000, -0.0006129900000000, 0.0004909000000000 ] - [ -0.0000608800000000, 0.0001002700000000, 0.0004257600000000 ] - [ -0.0000729100000000, 0.0000864000000000, 0.0004463500000000 ] - [ 0.0000263800000000, -0.0000790400000000, -0.0003454400000000 ] - [ 0.0000614000000000, -0.0000494400000000, -0.0004858500000000 ] - [ 0.0005466200000000, -0.0001464700000000, -0.0000885500000000 ] - [ 0.0005712700000000, -0.0001516000000000, -0.0000522800000000 ] - [ -0.0001245300000000, 0.0011757000000000, -0.0006695500000000 ] - [ 0.0005941600000000, 0.0012493200000000, -0.0008941000000000 ]- atom: 5 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0000173200000000, -0.0020854200000000, 0.0039917500000000 ] - [ -0.0001914300000000, -0.0008555600000000, 0.0011174200000000 ] - [ 0.0032870000000000, 0.0015552900000000, -0.0029067500000000 ] - [ -0.0054092500000000, 0.0042722300000000, 0.0011533500000000 ] - [ 0.0165229900000000, 0.0031811100000000, -0.0499654100000000 ] - [ -0.0017502900000000, 0.0007188700000000, -0.0005732000000000 ] - [ -0.0005535900000000, 0.0011084500000000, 0.0009601100000000 ] - [ 0.0006117700000000, 0.0009653300000000, 0.0005277000000000 ] - [ -0.0008789700000000, -0.0005915000000000, 0.0018046400000000 ] - [ 0.0002624400000000, -0.0005945600000000, 0.0016233400000000 ] - [ -0.0007907300000000, 0.0003231600000000, 0.0018261100000000 ] - [ 0.0002932000000000, 0.0005581700000000, 0.0013133800000000 ] - [ 0.0002493000000000, -0.0007602400000000, -0.0014528300000000 ] - [ -0.0004758500000000, -0.0013267100000000, -0.0015708300000000 ] - [ 0.0001784300000000, 0.0006232400000000, 0.0004351400000000 ] - [ 0.0001647900000000, 0.0004641000000000, 0.0004453500000000 ] - [ 0.0007911500000000, -0.0034886900000000, -0.0013987100000000 ] - [ -0.0007827900000000, -0.0005919000000000, 0.0000552700000000 ] - [ 0.0010925900000000, 0.0005401800000000, -0.0016616400000000 ] - [ -0.0004458100000000, -0.0007767900000000, -0.0006237200000000 ] - [ -0.0075200900000000, -0.0020047200000000, 0.0028278500000000 ] - [ 0.0042212700000000, 0.0001223600000000, -0.0020149800000000 ] - [ 0.0001550800000000, -0.0004688600000000, 0.0003927100000000 ] - [ 0.0004844100000000, 0.0008717600000000, 0.0033506100000000 ] - [ 0.0031616800000000, -0.0027568300000000, 0.0029323000000000 ] - [ -0.0007036500000000, 0.0003147800000000, 0.0002527500000000 ] - [ -0.0005274700000000, 0.0010617500000000, 0.0009257400000000 ] - [ 0.0003016400000000, 0.0006362800000000, 0.0001664700000000 ] - [ -0.0005174200000000, -0.0001806400000000, -0.0001117600000000 ] - [ 0.0027365900000000, 0.0033777500000000, 0.0016604600000000 ] - [ 0.0007908100000000, 0.0008924600000000, 0.0009302700000000 ] - [ -0.0003421100000000, 0.0004705700000000, 0.0003877400000000 ] - [ -0.0004547600000000, -0.0006732500000000, 0.0005679300000000 ] - [ 0.0007717100000000, -0.0011430400000000, 0.0011801800000000 ] - [ -0.0024693700000000, -0.0026886100000000, 0.0028894100000000 ] - [ 0.0001038200000000, 0.0003156700000000, -0.0003166500000000 ] - [ -0.0007153200000000, -0.0010163200000000, 0.0011761200000000 ] - [ 0.0002023000000000, -0.0004849200000000, 0.0003288000000000 ] - [ -0.0018621900000000, 0.0024813700000000, 0.0012195400000000 ] - [ 0.0001312700000000, -0.0005118800000000, -0.0006538900000000 ] - [ -0.0000740000000000, 0.0003768200000000, 0.0005200100000000 ] - [ 0.0002884700000000, -0.0007615000000000, 0.0012205100000000 ] - [ -0.0003321900000000, -0.0007113800000000, -0.0013741000000000 ] - [ -0.0004137200000000, -0.0004258900000000, -0.0010529500000000 ] - [ 0.0000964000000000, -0.0005424200000000, -0.0001704700000000 ] - [ -0.0000682900000000, 0.0002373400000000, -0.0002765200000000 ] - [ 0.0006459300000000, -0.0011389900000000, -0.0006257800000000 ] - [ 0.0002805000000000, -0.0005568000000000, -0.0006849000000000 ] - [ -0.0011438200000000, -0.0001926100000000, 0.0009262100000000 ] - [ -0.0009905000000000, -0.0001181000000000, 0.0004306600000000 ] - [ 0.0058622400000000, -0.0129591400000000, 0.0101516700000000 ] - [ -0.0000110900000000, 0.0004551400000000, -0.0007114000000000 ] - [ 0.0002700800000000, 0.0000632800000000, -0.0006021900000000 ] - [ 0.0006299000000000, 0.0011623000000000, -0.0000024300000000 ] - [ -0.0003966900000000, -0.0003966500000000, 0.0020006600000000 ] - [ -0.0004447200000000, -0.0003926000000000, 0.0020280900000000 ] - [ 0.0065004300000000, -0.0032137400000000, -0.0157064900000000 ] - [ -0.0002859600000000, -0.0001515700000000, -0.0006680800000000 ] - [ 0.0007109800000000, -0.0001554900000000, -0.0061477800000000 ] - [ 0.0001246300000000, -0.0025739200000000, -0.0069557900000000 ] - [ -0.0023675000000000, -0.0059840500000000, -0.0065991300000000 ] - [ -0.0007133800000000, -0.0012501100000000, -0.0011956700000000 ] - [ -0.0000801200000000, -0.0000225700000000, 0.0004268400000000 ] - [ 0.0002103000000000, 0.0003723500000000, 0.0004081700000000 ] - [ -0.0002575700000000, -0.0009206400000000, 0.0002401700000000 ] - [ 0.0004103400000000, 0.0041346700000000, 0.0012744600000000 ] - [ -0.0005218900000000, 0.0003811800000000, 0.0002329700000000 ] - [ -0.0003225000000000, 0.0006407500000000, 0.0000486300000000 ] - [ 0.0062095200000000, 0.0126729400000000, 0.0096500500000000 ] - [ -0.0002096800000000, -0.0006781200000000, 0.0005371700000000 ] - [ 0.0005271500000000, -0.0010845600000000, 0.0009982100000000 ] - [ 0.0004371200000000, -0.0010767900000000, 0.0009789300000000 ] - [ -0.0016608600000000, 0.0005496100000000, 0.0038248100000000 ] - [ 0.0022580400000000, 0.0017376700000000, 0.0043389400000000 ] - [ 0.0004031200000000, 0.0000864800000000, -0.0009024900000000 ] - [ -0.0010768700000000, -0.0004437400000000, -0.0005673200000000 ] - [ -0.0003816700000000, -0.0002721300000000, -0.0012447800000000 ] - [ 0.0003213900000000, -0.0007174100000000, -0.0012314400000000 ] - [ -0.0018088400000000, -0.0019055300000000, 0.0060101000000000 ] - [ 0.0009328700000000, 0.0008592700000000, 0.0016249600000000 ] - [ 0.0001935000000000, 0.0004272600000000, -0.0000506200000000 ] - [ -0.0002115400000000, 0.0008847800000000, 0.0000031200000000 ] - [ 0.0000546700000000, -0.0014343600000000, -0.0005628100000000 ] - [ -0.0001071200000000, -0.0006927800000000, -0.0001211600000000 ] - [ 0.0008823400000000, 0.0009312600000000, 0.0008608000000000 ] - [ -0.0044741200000000, 0.0033854300000000, 0.0031455800000000 ] - [ 0.0006064600000000, 0.0004222600000000, 0.0001424900000000 ] - [ -0.0002078600000000, -0.0000544600000000, 0.0005100400000000 ] - [ -0.0008489100000000, 0.0009072200000000, -0.0002196800000000 ] - [ -0.0001864100000000, 0.0007021500000000, 0.0002373300000000 ] - [ -0.0051562800000000, -0.0083469900000000, -0.0051104100000000 ] - [ 0.0005751800000000, 0.0007869600000000, -0.0003458500000000 ] - [ 0.0007643400000000, -0.0004584700000000, 0.0048697000000000 ] - [ -0.0025927400000000, -0.0001424700000000, 0.0051871700000000 ] - [ 0.0009395100000000, -0.0007512500000000, -0.0000307100000000 ] - [ -0.0043288900000000, 0.0079719000000000, -0.0041283000000000 ] - [ 0.0006112400000000, -0.0009685100000000, -0.0008127500000000 ] - [ -0.0012687200000000, -0.0006411900000000, -0.0008600900000000 ] - [ 0.0008063800000000, 0.0004510600000000, -0.0010104400000000 ] - [ 0.0002817900000000, 0.0003716000000000, -0.0007511100000000 ] - [ 0.0003364500000000, -0.0001176500000000, -0.0002347700000000 ] - [ -0.0003085400000000, 0.0003100600000000, 0.0001233200000000 ] - [ -0.0010434400000000, -0.0030918200000000, 0.0005488500000000 ] - [ 0.0005380400000000, 0.0000638700000000, 0.0006464200000000 ] - [ 0.0004832400000000, -0.0001444300000000, -0.0004729400000000 ] - [ -0.0001739800000000, -0.0001390200000000, -0.0008931000000000 ] - [ -0.0038296300000000, -0.0012252600000000, 0.0101911500000000 ] - [ 0.0002846500000000, 0.0000452600000000, 0.0009167300000000 ] - [ 0.0000374700000000, 0.0016258900000000, -0.0005349700000000 ] - [ 0.0000002000000000, 0.0008577500000000, 0.0000841000000000 ] - [ 0.0010382300000000, -0.0006106600000000, -0.0016419900000000 ] - [ -0.0004245000000000, -0.0000062300000000, -0.0013260800000000 ] - [ -0.0011295400000000, 0.0004551400000000, -0.0005938800000000 ] - [ 0.0006595100000000, 0.0007742100000000, -0.0005863000000000 ] - [ 0.0006415600000000, 0.0040865700000000, 0.0062605300000000 ] - [ 0.0002714000000000, 0.0001753500000000, 0.0009716300000000 ] - [ 0.0003306000000000, -0.0000053300000000, 0.0011802900000000 ] - [ -0.0004114400000000, -0.0001420000000000, 0.0014132400000000 ] - [ -0.0028339200000000, -0.0023456100000000, 0.0047362900000000 ] - [ 0.0004052700000000, 0.0007634500000000, -0.0003385300000000 ] - [ -0.0003658400000000, 0.0001334400000000, -0.0017142100000000 ] - [ 0.0000931200000000, 0.0003082700000000, -0.0013708000000000 ] - [ -0.0035177000000000, 0.0021428500000000, 0.0090004300000000 ] - [ 0.0008997100000000, 0.0002298700000000, 0.0004235100000000 ] - [ -0.0006397000000000, 0.0007073500000000, -0.0013242200000000 ] - [ -0.0010619300000000, 0.0003947500000000, -0.0013924400000000 ] - [ -0.0039976300000000, 0.0038960000000000, 0.0067891700000000 ] - [ -0.0002477600000000, -0.0004677200000000, 0.0005494100000000 ] - [ 0.0004423100000000, 0.0002060100000000, -0.0007052400000000 ] - [ -0.0000732400000000, 0.0001499300000000, -0.0003418300000000 ] - [ 0.0006761100000000, 0.0002457700000000, -0.0017715500000000 ] - [ 0.0002427800000000, 0.0002753400000000, -0.0022341200000000 ] - [ 0.0010836400000000, -0.0000537500000000, -0.0012309800000000 ] - [ 0.0005472200000000, -0.0000829100000000, -0.0008888200000000 ] - [ 0.0000316900000000, 0.0000016400000000, 0.0003757100000000 ] - [ 0.0009847000000000, -0.0001055800000000, 0.0000891200000000 ]- atom: 5 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0000973600000000, 0.0004596700000000, -0.0037502500000000 ] - [ 0.0001109000000000, -0.0007729600000000, -0.0008575700000000 ] - [ -0.0027387200000000, -0.0004035100000000, 0.0017785700000000 ] - [ 0.0060079500000000, -0.0031565800000000, -0.0023075200000000 ] - [ -0.0169315200000000, -0.0019002600000000, 0.0507351000000000 ] - [ 0.0012603600000000, 0.0004061200000000, 0.0014590000000000 ] - [ 0.0006325100000000, 0.0005239300000000, -0.0012178600000000 ] - [ -0.0005287100000000, 0.0006655300000000, -0.0007880900000000 ] - [ 0.0003912700000000, -0.0005303600000000, -0.0009168000000000 ] - [ -0.0007492300000000, -0.0005276600000000, -0.0007362700000000 ] - [ 0.0002400400000000, 0.0008317000000000, -0.0006664600000000 ] - [ -0.0008472700000000, 0.0005959900000000, -0.0001527700000000 ] - [ 0.0002500200000000, -0.0003652700000000, 0.0005657200000000 ] - [ 0.0009491600000000, 0.0002039200000000, 0.0006876200000000 ] - [ 0.0003086600000000, 0.0004982800000000, -0.0013245300000000 ] - [ 0.0003220800000000, 0.0006567500000000, -0.0013309900000000 ] - [ -0.0013399800000000, 0.0023235700000000, 0.0025189500000000 ] - [ 0.0002287300000000, -0.0005600300000000, 0.0010948400000000 ] - [ -0.0010102300000000, -0.0021767400000000, 0.0014365600000000 ] - [ 0.0005263900000000, -0.0008521200000000, 0.0003742600000000 ] - [ 0.0073716200000000, 0.0036018700000000, -0.0025647200000000 ] - [ -0.0043017100000000, 0.0015080000000000, 0.0022241600000000 ] - [ 0.0003957700000000, -0.0006831700000000, -0.0015522300000000 ] - [ 0.0000682500000000, -0.0020186500000000, -0.0044902400000000 ] - [ -0.0034698200000000, 0.0038518000000000, -0.0026535700000000 ] - [ 0.0004257300000000, 0.0007532700000000, 0.0000354500000000 ] - [ 0.0008096600000000, 0.0000026700000000, -0.0012110700000000 ] - [ -0.0000234200000000, 0.0004304500000000, -0.0004473600000000 ] - [ 0.0004365200000000, -0.0005520200000000, 0.0000164800000000 ] - [ -0.0027923100000000, -0.0040831300000000, -0.0017583800000000 ] - [ -0.0008743800000000, -0.0001633700000000, -0.0010214600000000 ] - [ 0.0002626300000000, 0.0002616500000000, -0.0004762000000000 ] - [ 0.0001755600000000, -0.0003959800000000, -0.0002865800000000 ] - [ -0.0010435800000000, 0.0000704400000000, -0.0008941500000000 ] - [ 0.0025799400000000, 0.0034588600000000, -0.0028268500000000 ] - [ -0.0000228400000000, 0.0004179100000000, 0.0004130100000000 ] - [ 0.0007895600000000, 0.0002782900000000, -0.0010809400000000 ] - [ -0.0001225800000000, -0.0002493400000000, -0.0002409500000000 ] - [ 0.0021186400000000, -0.0035160100000000, -0.0014939400000000 ] - [ 0.0001451200000000, -0.0005562200000000, 0.0003645000000000 ] - [ -0.0001320700000000, 0.0001551400000000, 0.0010589600000000 ] - [ -0.0004932200000000, 0.0012869400000000, 0.0003631000000000 ] - [ 0.0005325500000000, 0.0012314500000000, -0.0002112400000000 ] - [ 0.0006134700000000, 0.0009449100000000, -0.0005318400000000 ] - [ -0.0000972700000000, 0.0005458800000000, 0.0001696100000000 ] - [ 0.0000675100000000, -0.0002348700000000, 0.0002754400000000 ] - [ -0.0004426000000000, 0.0006119300000000, -0.0009562200000000 ] - [ -0.0000747300000000, 0.0000266700000000, -0.0008967600000000 ] - [ 0.0001417100000000, 0.0003011600000000, -0.0017522600000000 ] - [ -0.0000115300000000, 0.0002268700000000, -0.0012568500000000 ] - [ -0.0054644500000000, 0.0125349700000000, -0.0106809000000000 ] - [ 0.0004137400000000, -0.0008343600000000, -0.0000263800000000 ] - [ 0.0001364100000000, 0.0003282200000000, -0.0001308100000000 ] - [ -0.0002237700000000, -0.0007750600000000, -0.0007327500000000 ] - [ 0.0014003000000000, 0.0002888400000000, -0.0011768300000000 ] - [ 0.0014426900000000, 0.0002827600000000, -0.0011963300000000 ] - [ -0.0075015500000000, 0.0030188600000000, 0.0148901400000000 ] - [ -0.0007155300000000, 0.0000429300000000, -0.0001582700000000 ] - [ 0.0003334000000000, 0.0002487200000000, 0.0068926100000000 ] - [ 0.0008325400000000, 0.0026973600000000, 0.0078970300000000 ] - [ 0.0023869500000000, 0.0060128700000000, 0.0066393900000000 ] - [ 0.0007109300000000, 0.0012527900000000, 0.0011956900000000 ] - [ -0.0003264100000000, -0.0003673900000000, 0.0003070900000000 ] - [ -0.0006156200000000, -0.0007608100000000, 0.0003257100000000 ] - [ 0.0002567800000000, 0.0009157500000000, -0.0002400900000000 ] - [ -0.0003907600000000, -0.0040541800000000, -0.0012512100000000 ] - [ 0.0001190500000000, 0.0000024900000000, 0.0005022300000000 ] - [ -0.0000816500000000, -0.0002565300000000, 0.0006867200000000 ] - [ -0.0064105900000000, -0.0132320500000000, -0.0081954700000000 ] - [ 0.0000076400000000, 0.0001562800000000, 0.0010472400000000 ] - [ -0.0005278600000000, 0.0010851900000000, -0.0009991800000000 ] - [ -0.0004367800000000, 0.0010747700000000, -0.0009774700000000 ] - [ 0.0017855500000000, -0.0004235600000000, -0.0046551400000000 ] - [ -0.0021281500000000, -0.0016288800000000, -0.0052654100000000 ] - [ -0.0011864100000000, -0.0000235700000000, 0.0011248800000000 ] - [ 0.0002996800000000, 0.0005085300000000, 0.0007890000000000 ] - [ 0.0003596700000000, -0.0008511900000000, 0.0004780700000000 ] - [ -0.0003438500000000, -0.0004068300000000, 0.0004619800000000 ] - [ 0.0028852900000000, 0.0021142800000000, -0.0055173500000000 ] - [ 0.0002128700000000, -0.0005169900000000, -0.0011439600000000 ] - [ -0.0001707100000000, 0.0006937100000000, 0.0008180400000000 ] - [ 0.0002353400000000, 0.0002358800000000, 0.0007645800000000 ] - [ -0.0001621900000000, 0.0003176200000000, 0.0004693100000000 ] - [ 0.0000006300000000, -0.0004167500000000, 0.0000306300000000 ] - [ -0.0009044000000000, 0.0001926900000000, -0.0016230000000000 ] - [ 0.0044528200000000, -0.0022899700000000, -0.0038823800000000 ] - [ -0.0005048000000000, -0.0017344800000000, 0.0003659100000000 ] - [ 0.0003093700000000, -0.0012603200000000, -0.0000000700000000 ] - [ 0.0003626200000000, 0.0001248200000000, 0.0014998700000000 ] - [ -0.0003033700000000, 0.0003331000000000, 0.0010405100000000 ] - [ 0.0050657300000000, 0.0097017000000000, 0.0046515800000000 ] - [ -0.0006785600000000, 0.0005314200000000, -0.0001605400000000 ] - [ -0.0018833200000000, 0.0000976300000000, -0.0046564500000000 ] - [ 0.0015040800000000, -0.0002269400000000, -0.0050647200000000 ] - [ -0.0008243400000000, -0.0003621300000000, 0.0001267800000000 ] - [ 0.0044235000000000, -0.0090346500000000, 0.0041659000000000 ] - [ -0.0007065000000000, -0.0003542400000000, 0.0003098000000000 ] - [ 0.0011611000000000, -0.0006801300000000, 0.0003570800000000 ] - [ 0.0003346100000000, -0.0007975900000000, 0.0014898600000000 ] - [ 0.0008600000000000, -0.0007161700000000, 0.0012276600000000 ] - [ -0.0004462600000000, 0.0012328500000000, 0.0001360400000000 ] - [ 0.0002002400000000, 0.0008030500000000, -0.0002216300000000 ] - [ 0.0010472500000000, 0.0019145900000000, 0.0002056000000000 ] - [ -0.0005173100000000, -0.0011831300000000, 0.0001210200000000 ] - [ 0.0002967500000000, 0.0000793900000000, 0.0002515700000000 ] - [ 0.0009503700000000, 0.0000746000000000, 0.0006701800000000 ] - [ 0.0036750900000000, 0.0011428100000000, -0.0093024600000000 ] - [ -0.0004169100000000, -0.0001674900000000, -0.0000516700000000 ] - [ 0.0000620400000000, -0.0003110700000000, 0.0010385100000000 ] - [ 0.0000995300000000, 0.0004620400000000, 0.0004165300000000 ] - [ -0.0005460300000000, -0.0004270800000000, 0.0003608300000000 ] - [ 0.0009112500000000, -0.0010264900000000, 0.0000467100000000 ] - [ 0.0012441600000000, 0.0006551800000000, 0.0006882000000000 ] - [ -0.0005557300000000, 0.0003349900000000, 0.0006796500000000 ] - [ -0.0017916900000000, -0.0044394300000000, -0.0067665300000000 ] - [ -0.0014079300000000, -0.0005154500000000, -0.0014543700000000 ] - [ -0.0008172900000000, -0.0010245800000000, 0.0001077300000000 ] - [ -0.0000743200000000, -0.0008890800000000, -0.0001243600000000 ] - [ 0.0034138500000000, 0.0032809300000000, -0.0066865100000000 ] - [ 0.0000817800000000, 0.0002672200000000, -0.0009470400000000 ] - [ -0.0007566100000000, 0.0002265200000000, 0.0018816500000000 ] - [ -0.0012133400000000, 0.0000525700000000, 0.0015297500000000 ] - [ 0.0046588600000000, -0.0017044100000000, -0.0091949700000000 ] - [ 0.0002198400000000, 0.0001309800000000, -0.0005887400000000 ] - [ -0.0005016100000000, -0.0003637700000000, 0.0008473000000000 ] - [ -0.0000812900000000, -0.0000506600000000, 0.0009134800000000 ] - [ 0.0031102200000000, -0.0039549100000000, -0.0058883200000000 ] - [ -0.0005275900000000, 0.0003976900000000, -0.0003194300000000 ] - [ -0.0005790100000000, -0.0000823900000000, 0.0015668100000000 ] - [ -0.0000638000000000, -0.0000262900000000, 0.0012063700000000 ] - [ -0.0005402100000000, -0.0003693400000000, 0.0009103400000000 ] - [ -0.0001053300000000, -0.0003977200000000, 0.0013631900000000 ] - [ 0.0000382000000000, -0.0003059200000000, 0.0010670400000000 ] - [ 0.0005750800000000, -0.0002760300000000, 0.0007239600000000 ] - [ 0.0007458700000000, 0.0000649900000000, -0.0006058500000000 ] - [ -0.0002071300000000, 0.0001720800000000, -0.0003195700000000 ]- atom: 25 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0012852200000000, -0.0023844400000000, -0.0032224800000000 ] - [ 0.0011124700000000, -0.0009703100000000, 0.0005104800000000 ] - [ -0.0004946500000000, 0.0026906800000000, -0.0011367700000000 ] - [ 0.0015845300000000, 0.0000550200000000, -0.0005127700000000 ] - [ -0.0014445300000000, -0.0013742200000000, 0.0035363800000000 ] - [ 0.0009491500000000, 0.0008377800000000, 0.0002861900000000 ] - [ 0.0000716500000000, 0.0008148800000000, -0.0003354000000000 ] - [ 0.0000030500000000, 0.0007963500000000, 0.0000727500000000 ] - [ 0.0000286700000000, -0.0005924400000000, 0.0002091100000000 ] - [ -0.0005943500000000, -0.0005068700000000, 0.0012826900000000 ] - [ 0.0009126300000000, 0.0008434400000000, -0.0001084000000000 ] - [ -0.0007435900000000, -0.0007025700000000, 0.0032939000000000 ] - [ -0.0000925200000000, -0.0023268200000000, -0.0026929700000000 ] - [ 0.0015239700000000, -0.0001945300000000, 0.0000249400000000 ] - [ 0.0000720300000000, 0.0006589400000000, -0.0012236400000000 ] - [ 0.0004686200000000, 0.0005585300000000, -0.0001895700000000 ] - [ -0.0004972700000000, -0.0000282000000000, 0.0010496700000000 ] - [ -0.0000052900000000, -0.0006560400000000, 0.0003052500000000 ] - [ -0.0016059100000000, 0.0017498900000000, 0.0005174600000000 ] - [ 0.0013501300000000, -0.0008021200000000, -0.0004111500000000 ] - [ -0.0003892100000000, 0.0013657400000000, -0.0004836900000000 ] - [ 0.0002407900000000, 0.0007964800000000, 0.0004024000000000 ] - [ 0.0002159000000000, -0.0006159600000000, -0.0007947100000000 ] - [ 0.0003403300000000, -0.0005702100000000, -0.0003718200000000 ] - [ -0.0314203900000000, -0.0007383900000000, -0.0009888100000000 ] - [ 0.0004407200000000, 0.0005123200000000, 0.0001491000000000 ] - [ 0.0004651800000000, 0.0006366200000000, -0.0004500900000000 ] - [ 0.0005334300000000, 0.0006589200000000, 0.0002274100000000 ] - [ 0.0001598800000000, -0.0005055500000000, -0.0004238300000000 ] - [ 0.0001388400000000, -0.0004616600000000, 0.0003077200000000 ] - [ -0.0011148000000000, 0.0006067800000000, -0.0000213500000000 ] - [ 0.0003175900000000, 0.0003499700000000, -0.0000569400000000 ] - [ -0.0001183400000000, -0.0005156800000000, 0.0000302500000000 ] - [ -0.0001171400000000, -0.0005196200000000, 0.0002533600000000 ] - [ 0.0062688800000000, 0.0003315900000000, 0.0000121100000000 ] - [ 0.0065098300000000, 0.0003891800000000, 0.0000945900000000 ] - [ 0.0000183000000000, -0.0003405500000000, 0.0000512300000000 ] - [ 0.0000181800000000, -0.0003585000000000, 0.0000426900000000 ] - [ -0.0004151200000000, -0.0007844000000000, -0.0001291400000000 ] - [ 0.0003230200000000, -0.0005214000000000, -0.0001302600000000 ] - [ -0.0002063700000000, 0.0004494200000000, 0.0007589600000000 ] - [ -0.0000109800000000, 0.0001105800000000, 0.0008120200000000 ] - [ -0.0000288400000000, 0.0000030200000000, -0.0008402300000000 ] - [ 0.0002216800000000, 0.0005746400000000, -0.0006753800000000 ] - [ 0.0000353700000000, 0.0000186100000000, 0.0000155900000000 ] - [ 0.0000687400000000, -0.0002242900000000, 0.0000309700000000 ] - [ -0.0025742500000000, 0.0045599700000000, -0.0027782100000000 ] - [ 0.0003400400000000, -0.0009926800000000, -0.0004925700000000 ] - [ -0.0003359900000000, 0.0001092900000000, -0.0008177400000000 ] - [ -0.0007912400000000, -0.0000358600000000, 0.0001023100000000 ] - [ 0.0003445300000000, -0.0003184600000000, -0.0003990100000000 ] - [ 0.0001130700000000, -0.0000973000000000, -0.0003771700000000 ] - [ 0.0000612500000000, 0.0001196800000000, -0.0003384800000000 ] - [ 0.0032290100000000, 0.0040937400000000, 0.0011756400000000 ] - [ 0.0008075100000000, 0.0000267800000000, 0.0000292800000000 ] - [ 0.0003488100000000, -0.0000979300000000, 0.0006141800000000 ] - [ -0.0031285200000000, 0.0007232500000000, 0.0050173000000000 ] - [ -0.0002185100000000, -0.0001817200000000, -0.0013266700000000 ] - [ 0.0035536400000000, -0.0007595700000000, -0.0039872600000000 ] - [ 0.0003126300000000, 0.0001291600000000, 0.0005564900000000 ] - [ 0.0000378700000000, -0.0000831400000000, -0.0001931800000000 ] - [ 0.0000835800000000, 0.0001805100000000, 0.0002643600000000 ] - [ -0.0003100000000000, -0.0003716300000000, 0.0003390700000000 ] - [ -0.0000921400000000, -0.0000060100000000, 0.0003979700000000 ] - [ -0.0000463700000000, 0.0000640700000000, 0.0000718500000000 ] - [ -0.0000340500000000, 0.0000664500000000, -0.0000608800000000 ] - [ 0.0024825200000000, -0.0031105100000000, 0.0018528400000000 ] - [ -0.0003042300000000, 0.0001715500000000, 0.0003977300000000 ] - [ -0.0026999400000000, -0.0045962200000000, -0.0019021300000000 ] - [ 0.0000482300000000, 0.0003234500000000, 0.0011429400000000 ] - [ -0.0002041000000000, 0.0004406400000000, -0.0003967200000000 ] - [ 0.0001503500000000, -0.0004589800000000, 0.0004310500000000 ] - [ 0.0045355100000000, 0.0009929400000000, -0.0023809400000000 ] - [ -0.0005727400000000, 0.0001622900000000, -0.0007689200000000 ] - [ -0.0006333600000000, 0.0000682800000000, 0.0003400400000000 ] - [ -0.0024445700000000, -0.0034451100000000, -0.0012339100000000 ] - [ 0.0003541500000000, -0.0005504300000000, -0.0002861100000000 ] - [ -0.0002205500000000, -0.0004552700000000, -0.0004882100000000 ] - [ 0.0010466500000000, 0.0003073300000000, 0.0003869500000000 ] - [ 0.0002857700000000, 0.0000217500000000, 0.0001432700000000 ] - [ -0.0001808600000000, 0.0006850000000000, 0.0004930100000000 ] - [ 0.0002959200000000, 0.0005919200000000, 0.0002605600000000 ] - [ -0.0000595000000000, -0.0006168100000000, -0.0002715100000000 ] - [ -0.0000280900000000, -0.0004550200000000, 0.0000538900000000 ] - [ -0.0001336100000000, 0.0003688700000000, -0.0001607400000000 ] - [ -0.0002479400000000, 0.0005410000000000, -0.0006601200000000 ] - [ 0.0003032000000000, -0.0005692800000000, 0.0004076800000000 ] - [ -0.0001284200000000, -0.0008314100000000, 0.0001185400000000 ] - [ 0.0025030300000000, -0.0030706500000000, 0.0021664700000000 ] - [ -0.0008382500000000, 0.0009021100000000, 0.0003068400000000 ] - [ 0.0028727400000000, 0.0037274600000000, 0.0018469500000000 ] - [ -0.0007802700000000, 0.0003203800000000, -0.0004034500000000 ] - [ -0.0025915200000000, 0.0008216200000000, 0.0039521000000000 ] - [ -0.0007647200000000, -0.0000856700000000, -0.0001540100000000 ] - [ 0.0000262000000000, -0.0005916200000000, 0.0001543900000000 ] - [ -0.0000148700000000, -0.0005582200000000, -0.0000791500000000 ] - [ 0.0000067700000000, -0.0006849300000000, -0.0000026400000000 ] - [ -0.0001246300000000, -0.0005909200000000, -0.0003818500000000 ] - [ 0.0004545300000000, -0.0002755600000000, 0.0007881500000000 ] - [ 0.0003539300000000, 0.0000438900000000, -0.0003011400000000 ] - [ -0.0003861200000000, 0.0005403700000000, -0.0000713300000000 ] - [ -0.0020491200000000, 0.0037717300000000, -0.0016750800000000 ] - [ -0.0000704300000000, -0.0008078700000000, 0.0001757600000000 ] - [ -0.0002429400000000, -0.0005936500000000, 0.0004951900000000 ] - [ 0.0004250700000000, 0.0000388700000000, 0.0001011200000000 ] - [ 0.0003181000000000, -0.0001192500000000, -0.0002685900000000 ] - [ 0.0026671600000000, -0.0006703600000000, -0.0037756800000000 ] - [ -0.0006556400000000, 0.0001314600000000, 0.0010273800000000 ] - [ 0.0019146800000000, -0.0007378900000000, 0.0020701800000000 ] - [ -0.0006489400000000, 0.0010182400000000, -0.0001573400000000 ] - [ 0.0003021300000000, -0.0006387200000000, -0.0004991900000000 ] - [ 0.0002302400000000, -0.0004241300000000, -0.0008259100000000 ] - [ 0.0048612700000000, 0.0023273200000000, 0.0021438700000000 ] - [ -0.0006121700000000, 0.0007258700000000, 0.0002974100000000 ] - [ 0.0002776700000000, -0.0001032000000000, -0.0001475700000000 ] - [ -0.0010398600000000, -0.0002314100000000, -0.0003325900000000 ] - [ -0.0001007800000000, -0.0003063300000000, 0.0009784800000000 ] - [ -0.0004585000000000, -0.0006855700000000, 0.0003858100000000 ] - [ 0.0017561800000000, 0.0031245900000000, -0.0005154600000000 ] - [ -0.0004633100000000, 0.0000537900000000, -0.0006928500000000 ] - [ -0.0003131600000000, 0.0001689600000000, 0.0006053000000000 ] - [ -0.0007707000000000, 0.0001751600000000, -0.0001843900000000 ] - [ 0.0032013900000000, -0.0002102900000000, -0.0013521900000000 ] - [ -0.0002194000000000, 0.0003937700000000, 0.0005157900000000 ] - [ -0.0004796600000000, -0.0000059100000000, 0.0001056100000000 ] - [ -0.0006960800000000, 0.0004808300000000, -0.0006493600000000 ] - [ -0.0001248100000000, 0.0001312100000000, -0.0001927500000000 ] - [ -0.0005833300000000, -0.0001342500000000, 0.0002678400000000 ] - [ -0.0003251100000000, -0.0000414000000000, 0.0007576000000000 ] - [ 0.0001490100000000, 0.0001155800000000, -0.0001214200000000 ] - [ -0.0000764800000000, -0.0001395300000000, -0.0001262900000000 ] - [ 0.0000794600000000, -0.0000530200000000, -0.0006015800000000 ] - [ 0.0003708200000000, -0.0002169800000000, 0.0002292400000000 ] - [ 0.0008734300000000, -0.0001613900000000, -0.0005086500000000 ] - [ 0.0049928200000000, -0.0025012700000000, 0.0004266900000000 ] - [ -0.0003601300000000, -0.0002024100000000, -0.0001319400000000 ]- atom: 25 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0011865700000000, 0.0007525800000000, 0.0034777200000000 ] - [ -0.0011893900000000, -0.0006645500000000, -0.0002589200000000 ] - [ 0.0010528000000000, -0.0015420100000000, -0.0000234900000000 ] - [ -0.0010327400000000, 0.0010973000000000, -0.0006477300000000 ] - [ 0.0009409100000000, 0.0025022400000000, -0.0026455600000000 ] - [ -0.0014318300000000, 0.0002890200000000, 0.0006073500000000 ] - [ 0.0000068600000000, 0.0008194100000000, 0.0000813600000000 ] - [ 0.0000763400000000, 0.0008379300000000, -0.0003269300000000 ] - [ -0.0005142800000000, -0.0005348600000000, 0.0006816700000000 ] - [ 0.0001094100000000, -0.0006203800000000, -0.0003898600000000 ] - [ -0.0014657800000000, 0.0003125500000000, 0.0012656800000000 ] - [ 0.0001965000000000, 0.0018608600000000, -0.0021387600000000 ] - [ 0.0005831000000000, 0.0012038400000000, 0.0018071800000000 ] - [ -0.0010393600000000, -0.0009306600000000, -0.0009139900000000 ] - [ 0.0004133200000000, 0.0004684200000000, 0.0003314600000000 ] - [ 0.0000164000000000, 0.0005688200000000, -0.0007037700000000 ] - [ -0.0000558800000000, -0.0011269500000000, 0.0001108400000000 ] - [ -0.0005464800000000, -0.0004979500000000, 0.0008556900000000 ] - [ 0.0016681700000000, -0.0033892500000000, -0.0007705800000000 ] - [ -0.0012693400000000, -0.0008302600000000, 0.0001582800000000 ] - [ 0.0003090400000000, 0.0002691000000000, 0.0007364200000000 ] - [ -0.0003202900000000, 0.0008369200000000, -0.0001481000000000 ] - [ 0.0003367700000000, -0.0005384900000000, -0.0003659400000000 ] - [ 0.0002112500000000, -0.0005838200000000, -0.0007896300000000 ] - [ 0.0313001700000000, 0.0017493800000000, 0.0012665600000000 ] - [ -0.0007199300000000, 0.0005562200000000, 0.0001362800000000 ] - [ -0.0001869100000000, 0.0004309500000000, 0.0001653100000000 ] - [ -0.0002528100000000, 0.0004098700000000, -0.0005128300000000 ] - [ -0.0002400600000000, -0.0002278800000000, 0.0003318800000000 ] - [ -0.0002200000000000, -0.0002710400000000, -0.0003990400000000 ] - [ 0.0010338000000000, 0.0001265800000000, -0.0000689300000000 ] - [ -0.0003982300000000, 0.0003836000000000, -0.0000352500000000 ] - [ -0.0001605200000000, -0.0005523800000000, 0.0002541800000000 ] - [ -0.0001618900000000, -0.0005481800000000, 0.0000305700000000 ] - [ -0.0060963100000000, 0.0004014300000000, 0.0000785100000000 ] - [ -0.0065300100000000, 0.0003446900000000, -0.0000028200000000 ] - [ 0.0000646400000000, -0.0003944600000000, 0.0000446100000000 ] - [ 0.0000632900000000, -0.0003747600000000, 0.0000497900000000 ] - [ 0.0006937400000000, -0.0002832800000000, -0.0001570200000000 ] - [ -0.0000443900000000, -0.0005458400000000, -0.0001528300000000 ] - [ -0.0000020000000000, 0.0000849000000000, 0.0008192000000000 ] - [ -0.0001959000000000, 0.0004212900000000, 0.0007674000000000 ] - [ 0.0002345500000000, 0.0005277300000000, -0.0007400600000000 ] - [ -0.0000149600000000, -0.0000427700000000, -0.0009044100000000 ] - [ -0.0000352400000000, -0.0000183400000000, -0.0000158700000000 ] - [ -0.0000691000000000, 0.0002249100000000, -0.0000312600000000 ] - [ 0.0027970800000000, -0.0051062000000000, 0.0012044400000000 ] - [ -0.0001335500000000, 0.0004631800000000, -0.0010874500000000 ] - [ -0.0006721200000000, -0.0000026100000000, 0.0000059300000000 ] - [ -0.0002181400000000, 0.0001424100000000, -0.0009119100000000 ] - [ 0.0000683800000000, -0.0000834400000000, -0.0003304000000000 ] - [ 0.0002996800000000, -0.0003040700000000, -0.0003525000000000 ] - [ 0.0003482400000000, 0.0002762300000000, -0.0003932100000000 ] - [ -0.0028312700000000, -0.0036955700000000, -0.0019250000000000 ] - [ 0.0002008500000000, -0.0001331300000000, 0.0007814300000000 ] - [ 0.0006595500000000, -0.0000084700000000, 0.0001961700000000 ] - [ 0.0021407100000000, -0.0008313300000000, -0.0058460400000000 ] - [ -0.0007902700000000, 0.0000753200000000, 0.0005183700000000 ] - [ -0.0025593900000000, 0.0008512800000000, 0.0048090200000000 ] - [ 0.0006922500000000, -0.0000209600000000, 0.0002609100000000 ] - [ -0.0000378900000000, 0.0000842200000000, 0.0001937400000000 ] - [ -0.0000831300000000, -0.0001791100000000, -0.0002633000000000 ] - [ -0.0001015500000000, -0.0000274800000000, 0.0003910600000000 ] - [ -0.0003212200000000, -0.0003958100000000, 0.0003311900000000 ] - [ 0.0000463600000000, -0.0000631200000000, -0.0000718900000000 ] - [ 0.0000343600000000, -0.0000653500000000, 0.0000607500000000 ] - [ -0.0029184300000000, 0.0035369800000000, -0.0011227000000000 ] - [ -0.0001114500000000, 0.0002350300000000, 0.0003294600000000 ] - [ 0.0025094800000000, 0.0040790100000000, 0.0034898800000000 ] - [ -0.0002550900000000, -0.0008565700000000, 0.0004349800000000 ] - [ 0.0002044100000000, -0.0004410500000000, 0.0003972800000000 ] - [ -0.0001501800000000, 0.0004577300000000, -0.0004298000000000 ] - [ -0.0045148100000000, -0.0009496300000000, 0.0016868200000000 ] - [ 0.0007013800000000, -0.0000329700000000, -0.0000863000000000 ] - [ -0.0001458400000000, -0.0000107900000000, -0.0001212000000000 ] - [ 0.0016649100000000, 0.0034916800000000, 0.0014529000000000 ] - [ -0.0003753700000000, -0.0005823700000000, -0.0004801500000000 ] - [ 0.0001991000000000, -0.0006799800000000, -0.0002771000000000 ] - [ 0.0000979700000000, 0.0000462400000000, 0.0000984500000000 ] - [ 0.0008591600000000, 0.0003323100000000, 0.0003414300000000 ] - [ 0.0002015200000000, 0.0004503000000000, 0.0002722800000000 ] - [ -0.0002747200000000, 0.0005442000000000, 0.0005042600000000 ] - [ -0.0000439400000000, -0.0004857700000000, 0.0001802700000000 ] - [ -0.0000740100000000, -0.0006464400000000, -0.0001450500000000 ] - [ 0.0001111800000000, 0.0007644400000000, -0.0006045200000000 ] - [ 0.0002278600000000, 0.0005955000000000, -0.0001055400000000 ] - [ -0.0002070700000000, -0.0007578900000000, 0.0000967100000000 ] - [ 0.0002255800000000, -0.0004945400000000, 0.0003859700000000 ] - [ -0.0029934200000000, 0.0041047300000000, -0.0008850800000000 ] - [ 0.0003503400000000, 0.0001342100000000, 0.0009748400000000 ] - [ -0.0029716700000000, -0.0023989900000000, -0.0023497400000000 ] - [ 0.0006845400000000, 0.0010090300000000, -0.0000990700000000 ] - [ 0.0014695300000000, -0.0011736000000000, -0.0037768700000000 ] - [ -0.0003569500000000, -0.0002723700000000, 0.0003200400000000 ] - [ 0.0000764300000000, -0.0005105100000000, -0.0000635900000000 ] - [ 0.0001164500000000, -0.0005425500000000, 0.0001694700000000 ] - [ -0.0001028600000000, -0.0006428700000000, -0.0005005800000000 ] - [ 0.0000277300000000, -0.0007354400000000, -0.0001227500000000 ] - [ 0.0006913000000000, -0.0000785400000000, -0.0003023900000000 ] - [ 0.0007902400000000, -0.0003982900000000, 0.0007867400000000 ] - [ 0.0002854200000000, 0.0005609600000000, -0.0000193700000000 ] - [ 0.0019526300000000, -0.0026714400000000, 0.0015821900000000 ] - [ 0.0000923000000000, -0.0003259600000000, 0.0005895100000000 ] - [ 0.0002631400000000, -0.0005427700000000, 0.0002695200000000 ] - [ 0.0003557600000000, -0.0000956600000000, -0.0003199300000000 ] - [ 0.0004637800000000, 0.0000657200000000, 0.0000514000000000 ] - [ -0.0028012300000000, 0.0005429500000000, 0.0046233900000000 ] - [ 0.0005273700000000, -0.0002599100000000, -0.0001823900000000 ] - [ -0.0017464800000000, 0.0021228100000000, -0.0016417300000000 ] - [ 0.0007472400000000, 0.0003070700000000, 0.0006645800000000 ] - [ 0.0001864300000000, -0.0004002100000000, -0.0007811500000000 ] - [ 0.0002582400000000, -0.0006133300000000, -0.0004554800000000 ] - [ -0.0048732400000000, -0.0013211600000000, -0.0022131400000000 ] - [ 0.0007130400000000, 0.0003802100000000, -0.0002029300000000 ] - [ -0.0014225100000000, -0.0002492800000000, -0.0003370500000000 ] - [ -0.0001040900000000, -0.0001215500000000, -0.0001523300000000 ] - [ -0.0003876300000000, -0.0007295800000000, 0.0003026800000000 ] - [ -0.0000297700000000, -0.0003523500000000, 0.0008942800000000 ] - [ -0.0011995100000000, -0.0021709800000000, -0.0007724400000000 ] - [ 0.0009529900000000, 0.0009867600000000, -0.0005885000000000 ] - [ -0.0008106000000000, 0.0001890300000000, -0.0004362700000000 ] - [ -0.0003543000000000, 0.0001824300000000, 0.0003542500000000 ] - [ -0.0019830300000000, 0.0006289400000000, 0.0013007400000000 ] - [ 0.0013449700000000, -0.0000373200000000, -0.0006869000000000 ] - [ -0.0006651600000000, 0.0003600900000000, -0.0005910600000000 ] - [ -0.0004490600000000, -0.0001261800000000, 0.0001635600000000 ] - [ -0.0006564500000000, -0.0001870300000000, 0.0004105400000000 ] - [ -0.0001985700000000, 0.0000796500000000, -0.0000505500000000 ] - [ 0.0001969000000000, 0.0001698500000000, 0.0000891700000000 ] - [ -0.0002802800000000, 0.0000126800000000, 0.0009726000000000 ] - [ 0.0002063800000000, 0.0000115000000000, -0.0007233900000000 ] - [ 0.0000496200000000, -0.0000751400000000, -0.0002478800000000 ] - [ 0.0007511400000000, -0.0001414300000000, -0.0003949900000000 ] - [ 0.0002524200000000, -0.0001951100000000, 0.0003354100000000 ] - [ -0.0043349500000000, 0.0027362600000000, -0.0006570000000000 ] - [ 0.0011408400000000, 0.0002508200000000, -0.0000843600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019059000000000, -0.0014120800000000, 0.0042393000000000 ] - [ 0.0004911300000000, -0.0011408800000000, 0.0003254800000000 ] - [ 0.0026210500000000, 0.0045930300000000, -0.0012403600000000 ] - [ -0.0006967100000000, 0.0012924200000000, -0.0008704000000000 ] - [ -0.0019595100000000, 0.0006629200000000, -0.0037096300000000 ] - [ 0.0002235600000000, 0.0006476700000000, 0.0003843500000000 ] - [ 0.0000102300000000, 0.0007360900000000, -0.0001053400000000 ] - [ 0.0000342100000000, 0.0007360500000000, -0.0000983500000000 ] - [ -0.0003039500000000, -0.0005245300000000, 0.0005703000000000 ] - [ -0.0002499700000000, -0.0004371600000000, 0.0010915000000000 ] - [ 0.0002356200000000, 0.0003771500000000, 0.0002201000000000 ] - [ -0.0013597300000000, -0.0007017300000000, -0.0016313700000000 ] - [ -0.0014617700000000, -0.0004331100000000, 0.0021252400000000 ] - [ 0.0007777200000000, -0.0004342300000000, -0.0002228700000000 ] - [ 0.0002944200000000, 0.0007360400000000, -0.0009917200000000 ] - [ 0.0002256800000000, 0.0006020600000000, -0.0005622600000000 ] - [ -0.0002210300000000, -0.0001532800000000, 0.0008077400000000 ] - [ -0.0002728200000000, -0.0004917100000000, 0.0006037200000000 ] - [ 0.0029093600000000, 0.0072622100000000, 0.0004515600000000 ] - [ -0.0009841500000000, -0.0005516400000000, 0.0002867300000000 ] - [ -0.0001082700000000, 0.0012671300000000, -0.0001013400000000 ] - [ -0.0000614800000000, 0.0008876000000000, 0.0001129200000000 ] - [ 0.0002884400000000, -0.0006502000000000, -0.0005678900000000 ] - [ 0.0002773000000000, -0.0006519300000000, -0.0005792800000000 ] - [ -0.0012652500000000, -0.0286033600000000, -0.0011345700000000 ] - [ -0.0001616700000000, 0.0003285100000000, 0.0001368000000000 ] - [ 0.0000377600000000, 0.0011230800000000, 0.0000937400000000 ] - [ 0.0000154000000000, 0.0011631900000000, -0.0004607700000000 ] - [ 0.0000844800000000, -0.0005274600000000, -0.0001775700000000 ] - [ 0.0000794500000000, -0.0005246100000000, 0.0001046100000000 ] - [ 0.0002201100000000, 0.0013867000000000, -0.0000683300000000 ] - [ -0.0000567100000000, 0.0005591700000000, -0.0000542800000000 ] - [ -0.0001582000000000, -0.0004794300000000, 0.0001531700000000 ] - [ -0.0001538300000000, -0.0004817800000000, 0.0001517400000000 ] - [ 0.0000145900000000, -0.0012922300000000, 0.0000509400000000 ] - [ 0.0001406800000000, -0.0013573100000000, 0.0000678500000000 ] - [ 0.0000472800000000, -0.0003130600000000, 0.0000564900000000 ] - [ 0.0000681400000000, -0.0003105200000000, 0.0000563100000000 ] - [ -0.0001106800000000, -0.0007972600000000, -0.0000984400000000 ] - [ 0.0001523200000000, -0.0005902400000000, -0.0001248900000000 ] - [ -0.0001284000000000, 0.0003187500000000, 0.0007798900000000 ] - [ -0.0000477500000000, 0.0001601300000000, 0.0008182700000000 ] - [ 0.0002621700000000, 0.0005412900000000, -0.0007016600000000 ] - [ 0.0001702900000000, 0.0004335700000000, -0.0007246700000000 ] - [ 0.0002289900000000, -0.0009111500000000, 0.0001177900000000 ] - [ 0.0000838300000000, -0.0003042900000000, 0.0000575400000000 ] - [ -0.0008169800000000, 0.0028386200000000, -0.0025634500000000 ] - [ 0.0000774700000000, -0.0002101100000000, -0.0007876800000000 ] - [ -0.0004489600000000, 0.0000462900000000, -0.0005743400000000 ] - [ -0.0003574700000000, 0.0000663700000000, -0.0006163700000000 ] - [ 0.0000510100000000, 0.0001400600000000, -0.0004467100000000 ] - [ 0.0001475800000000, -0.0001005400000000, -0.0004011300000000 ] - [ -0.0000361500000000, -0.0003275400000000, -0.0005881700000000 ] - [ 0.0026246000000000, 0.0051224300000000, 0.0017011800000000 ] - [ 0.0003342800000000, -0.0001965400000000, 0.0007139700000000 ] - [ 0.0004587900000000, -0.0000927700000000, 0.0005008200000000 ] - [ -0.0020345900000000, 0.0010271400000000, 0.0031934300000000 ] - [ -0.0005749600000000, 0.0000770000000000, -0.0001263600000000 ] - [ 0.0012439700000000, 0.0003448200000000, -0.0015724100000000 ] - [ 0.0006879200000000, 0.0000407200000000, 0.0000798700000000 ] - [ 0.0003703100000000, 0.0005656600000000, 0.0008236800000000 ] - [ 0.0000746600000000, 0.0000623100000000, 0.0001761900000000 ] - [ -0.0002643200000000, -0.0003023300000000, 0.0003437300000000 ] - [ -0.0001620800000000, -0.0001299900000000, 0.0003777900000000 ] - [ 0.0003138800000000, 0.0010498500000000, 0.0002356100000000 ] - [ 0.0004026100000000, 0.0013431900000000, 0.0001703000000000 ] - [ -0.0032817000000000, 0.0071066500000000, -0.0021413200000000 ] - [ -0.0002912100000000, 0.0003312500000000, 0.0003269400000000 ] - [ 0.0030644800000000, 0.0066469100000000, 0.0041773600000000 ] - [ 0.0001537700000000, 0.0002714200000000, 0.0010420000000000 ] - [ 0.0001357600000000, -0.0001138700000000, 0.0001942900000000 ] - [ 0.0000400500000000, -0.0000728800000000, 0.0001300300000000 ] - [ 0.0016214300000000, 0.0030105100000000, -0.0027120400000000 ] - [ 0.0000921900000000, 0.0002886900000000, -0.0001800800000000 ] - [ 0.0001567000000000, 0.0002054300000000, -0.0000276400000000 ] - [ -0.0018532700000000, -0.0031446300000000, -0.0008919900000000 ] - [ -0.0001679000000000, 0.0000131800000000, -0.0008195800000000 ] - [ -0.0000676800000000, -0.0003741700000000, -0.0004897000000000 ] - [ 0.0003557300000000, -0.0006204800000000, -0.0001787300000000 ] - [ 0.0005121100000000, 0.0000241400000000, 0.0001513000000000 ] - [ -0.0000514800000000, 0.0007760600000000, 0.0004719100000000 ] - [ -0.0001447600000000, 0.0011727100000000, 0.0005994800000000 ] - [ -0.0000506700000000, -0.0005380000000000, -0.0001772000000000 ] - [ -0.0000437800000000, -0.0004678700000000, -0.0000487000000000 ] - [ -0.0003044800000000, -0.0002042400000000, -0.0002292200000000 ] - [ -0.0000004500000000, -0.0005219900000000, -0.0001575600000000 ] - [ 0.0000203500000000, -0.0008762800000000, 0.0002221600000000 ] - [ 0.0000016900000000, -0.0007945900000000, 0.0002057700000000 ] - [ 0.0001176300000000, -0.0009348500000000, 0.0014223200000000 ] - [ -0.0001859600000000, 0.0005070000000000, 0.0007384600000000 ] - [ -0.0019428400000000, -0.0035945900000000, -0.0018755800000000 ] - [ 0.0000222700000000, 0.0000987000000000, -0.0003796900000000 ] - [ -0.0016484800000000, 0.0003794100000000, 0.0027469900000000 ] - [ -0.0006421100000000, 0.0000793900000000, 0.0002423000000000 ] - [ 0.0000514800000000, -0.0006318600000000, 0.0000521000000000 ] - [ 0.0001164200000000, -0.0007894100000000, 0.0000449600000000 ] - [ -0.0000343500000000, -0.0006356700000000, -0.0001429700000000 ] - [ -0.0000803600000000, -0.0005729800000000, -0.0002800200000000 ] - [ 0.0007833900000000, 0.0002682500000000, 0.0000747400000000 ] - [ 0.0005702400000000, 0.0001943900000000, 0.0001374300000000 ] - [ -0.0003333300000000, 0.0001378100000000, -0.0000187000000000 ] - [ 0.0023658400000000, -0.0054533000000000, 0.0021286100000000 ] - [ -0.0004098800000000, -0.0014804800000000, -0.0001304100000000 ] - [ 0.0000506000000000, -0.0013691900000000, 0.0000527700000000 ] - [ 0.0004049900000000, 0.0000101200000000, -0.0000243900000000 ] - [ 0.0003661800000000, -0.0000703300000000, -0.0001363100000000 ] - [ 0.0010895300000000, -0.0004192100000000, -0.0016869500000000 ] - [ -0.0000919700000000, -0.0000335200000000, 0.0001885300000000 ] - [ 0.0002244900000000, 0.0016499300000000, 0.0016026800000000 ] - [ 0.0003331800000000, 0.0009931600000000, 0.0004215000000000 ] - [ 0.0002731200000000, -0.0005668200000000, -0.0006311500000000 ] - [ 0.0002191700000000, -0.0004745500000000, -0.0007507900000000 ] - [ 0.0009596700000000, 0.0033467600000000, 0.0011766200000000 ] - [ 0.0001439900000000, 0.0010098200000000, 0.0000615300000000 ] - [ -0.0004436500000000, -0.0013632300000000, -0.0007685900000000 ] - [ -0.0004810800000000, -0.0005390000000000, -0.0002874500000000 ] - [ -0.0002113200000000, -0.0006106500000000, 0.0003243400000000 ] - [ -0.0003548700000000, -0.0006064600000000, 0.0005072600000000 ] - [ 0.0005124700000000, -0.0016175900000000, -0.0016399000000000 ] - [ -0.0002647200000000, 0.0002940700000000, -0.0007250300000000 ] - [ -0.0004836700000000, -0.0001288800000000, -0.0003169600000000 ] - [ -0.0005939100000000, 0.0000753500000000, -0.0000145600000000 ] - [ 0.0008335100000000, 0.0022747100000000, -0.0011394000000000 ] - [ 0.0007820700000000, 0.0004766000000000, -0.0003779400000000 ] - [ -0.0006568700000000, 0.0003719200000000, -0.0003622500000000 ] - [ -0.0006218800000000, 0.0003407600000000, -0.0003911900000000 ] - [ -0.0002908500000000, -0.0000919800000000, 0.0004313800000000 ] - [ -0.0004378300000000, -0.0000842300000000, 0.0001806600000000 ] - [ -0.0001569500000000, -0.0000873800000000, 0.0005627800000000 ] - [ -0.0000510400000000, -0.0001648600000000, 0.0007604300000000 ] - [ 0.0001812400000000, -0.0000292500000000, -0.0006565400000000 ] - [ 0.0000612000000000, -0.0000818800000000, -0.0004892400000000 ] - [ 0.0005178900000000, -0.0002291300000000, 0.0000350000000000 ] - [ 0.0004629100000000, -0.0002836800000000, 0.0000990000000000 ] - [ -0.0017179300000000, 0.0052942100000000, -0.0004802800000000 ] - [ 0.0003775200000000, -0.0000795600000000, -0.0000316600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018285600000000, -0.0002040700000000, -0.0039965200000000 ] - [ -0.0005670200000000, -0.0004953000000000, -0.0000693700000000 ] - [ -0.0020987400000000, -0.0034614100000000, 0.0000807500000000 ] - [ 0.0012528900000000, -0.0001360200000000, -0.0002935800000000 ] - [ 0.0014760400000000, 0.0004882400000000, 0.0046150500000000 ] - [ -0.0007058900000000, 0.0004872400000000, 0.0005058000000000 ] - [ 0.0000687800000000, 0.0009004400000000, -0.0001509300000000 ] - [ 0.0000453100000000, 0.0009004000000000, -0.0001581300000000 ] - [ -0.0001815800000000, -0.0006069800000000, 0.0003190200000000 ] - [ -0.0002358500000000, -0.0006946200000000, -0.0001988200000000 ] - [ -0.0007888600000000, 0.0007799100000000, 0.0009432200000000 ] - [ 0.0008085900000000, 0.0018500300000000, 0.0027962600000000 ] - [ 0.0019414900000000, -0.0007059100000000, -0.0030074600000000 ] - [ -0.0002934600000000, -0.0007000000000000, -0.0006669500000000 ] - [ 0.0001916000000000, 0.0003965300000000, 0.0001009100000000 ] - [ 0.0002595100000000, 0.0005304300000000, -0.0003290500000000 ] - [ -0.0003309800000000, -0.0010068000000000, 0.0003580500000000 ] - [ -0.0002786000000000, -0.0006652500000000, 0.0005604800000000 ] - [ -0.0027930400000000, -0.0088159700000000, -0.0006993200000000 ] - [ 0.0010624400000000, -0.0010845700000000, -0.0005418600000000 ] - [ 0.0000269300000000, 0.0003721200000000, 0.0003573900000000 ] - [ -0.0000176700000000, 0.0007495800000000, 0.0001445200000000 ] - [ 0.0002629800000000, -0.0005063300000000, -0.0005960400000000 ] - [ 0.0002737700000000, -0.0005039300000000, -0.0005849700000000 ] - [ 0.0012215400000000, 0.0293154500000000, 0.0014463500000000 ] - [ -0.0001164600000000, 0.0007418700000000, 0.0001494700000000 ] - [ 0.0002413300000000, -0.0000549700000000, -0.0003802500000000 ] - [ 0.0002637300000000, -0.0000911500000000, 0.0001738800000000 ] - [ -0.0001628200000000, -0.0002065300000000, 0.0000844700000000 ] - [ -0.0001596900000000, -0.0002087100000000, -0.0001985600000000 ] - [ -0.0003000900000000, -0.0006523500000000, -0.0000254700000000 ] - [ -0.0000208900000000, 0.0001749600000000, -0.0000369800000000 ] - [ -0.0001199800000000, -0.0005901000000000, 0.0001324400000000 ] - [ -0.0001243500000000, -0.0005871200000000, 0.0001326700000000 ] - [ 0.0000413500000000, 0.0020284700000000, 0.0000408700000000 ] - [ -0.0000357800000000, 0.0020932400000000, 0.0000257800000000 ] - [ 0.0000341300000000, -0.0004225200000000, 0.0000405800000000 ] - [ 0.0000120500000000, -0.0004233700000000, 0.0000375000000000 ] - [ 0.0003890200000000, -0.0002715800000000, -0.0001891100000000 ] - [ 0.0001263200000000, -0.0004785900000000, -0.0001601500000000 ] - [ -0.0000804100000000, 0.0002172100000000, 0.0007968000000000 ] - [ -0.0001595800000000, 0.0003735200000000, 0.0007595700000000 ] - [ -0.0000554000000000, -0.0000082300000000, -0.0008769600000000 ] - [ 0.0000370300000000, 0.0000998500000000, -0.0008536500000000 ] - [ -0.0002283300000000, 0.0009108200000000, -0.0001177900000000 ] - [ -0.0000839700000000, 0.0003049500000000, -0.0000579900000000 ] - [ 0.0010515900000000, -0.0033982700000000, 0.0009878500000000 ] - [ 0.0001309300000000, -0.0003248600000000, -0.0007894300000000 ] - [ -0.0005561800000000, 0.0000615100000000, -0.0002441900000000 ] - [ -0.0006494100000000, 0.0000413100000000, -0.0001982700000000 ] - [ 0.0003613100000000, -0.0005396700000000, -0.0002839700000000 ] - [ 0.0002640000000000, -0.0002977200000000, -0.0003300800000000 ] - [ 0.0004492500000000, 0.0007298000000000, -0.0001414100000000 ] - [ -0.0022215400000000, -0.0047164900000000, -0.0024437000000000 ] - [ 0.0006726500000000, 0.0000898000000000, 0.0001008400000000 ] - [ 0.0005472700000000, -0.0000141700000000, 0.0003148000000000 ] - [ 0.0010461000000000, -0.0011357300000000, -0.0040262100000000 ] - [ -0.0004305500000000, -0.0001838300000000, -0.0006912800000000 ] - [ -0.0002343500000000, -0.0002503800000000, 0.0023739000000000 ] - [ 0.0003176000000000, 0.0000672500000000, 0.0007368400000000 ] - [ -0.0003669300000000, -0.0005590900000000, -0.0008174100000000 ] - [ -0.0000742500000000, -0.0000611500000000, -0.0001758800000000 ] - [ -0.0001466100000000, -0.0000949600000000, 0.0003876100000000 ] - [ -0.0002504600000000, -0.0002698000000000, 0.0003524700000000 ] - [ -0.0003140400000000, -0.0010494600000000, -0.0002361600000000 ] - [ -0.0004018400000000, -0.0013392300000000, -0.0001714300000000 ] - [ 0.0028239700000000, -0.0066513200000000, 0.0028716300000000 ] - [ -0.0001190900000000, 0.0000636200000000, 0.0004063400000000 ] - [ -0.0032340700000000, -0.0071969900000000, -0.0025890900000000 ] - [ -0.0003602200000000, -0.0008035200000000, 0.0005367100000000 ] - [ -0.0001364900000000, 0.0001150400000000, -0.0001954500000000 ] - [ -0.0000400200000000, 0.0000726700000000, -0.0001296400000000 ] - [ -0.0015394300000000, -0.0029067000000000, 0.0019242400000000 ] - [ 0.0000411200000000, -0.0001633400000000, -0.0006772900000000 ] - [ -0.0009414700000000, -0.0001534300000000, 0.0002466800000000 ] - [ 0.0010643800000000, 0.0031788000000000, 0.0011084500000000 ] - [ 0.0001472600000000, -0.0011425900000000, 0.0000534400000000 ] - [ 0.0000455900000000, -0.0007562600000000, -0.0002767200000000 ] - [ 0.0007863100000000, 0.0009679800000000, 0.0006572400000000 ] - [ 0.0006316200000000, 0.0003274000000000, 0.0003326900000000 ] - [ 0.0000724900000000, 0.0003556500000000, 0.0002937500000000 ] - [ 0.0001665000000000, -0.0000399000000000, 0.0001654200000000 ] - [ -0.0000546000000000, -0.0005668900000000, 0.0000857600000000 ] - [ -0.0000608400000000, -0.0006371900000000, -0.0000431000000000 ] - [ 0.0002838900000000, 0.0013340300000000, -0.0005383600000000 ] - [ -0.0000217500000000, 0.0016529400000000, -0.0006093500000000 ] - [ 0.0000773600000000, -0.0004478500000000, 0.0002808100000000 ] - [ 0.0000968200000000, -0.0005282000000000, 0.0002977300000000 ] - [ -0.0006258600000000, 0.0020010100000000, -0.0001494300000000 ] - [ -0.0003058800000000, 0.0005376500000000, 0.0005384600000000 ] - [ 0.0018299200000000, 0.0049085200000000, 0.0013668600000000 ] - [ -0.0001209500000000, 0.0012248500000000, -0.0001233700000000 ] - [ 0.0005188800000000, -0.0007278900000000, -0.0025653400000000 ] - [ -0.0004819900000000, -0.0004370100000000, -0.0000730200000000 ] - [ 0.0000541700000000, -0.0004738600000000, 0.0000395400000000 ] - [ -0.0000121000000000, -0.0003153900000000, 0.0000461400000000 ] - [ -0.0000631100000000, -0.0006888300000000, -0.0003593100000000 ] - [ -0.0000178500000000, -0.0007501600000000, -0.0002237300000000 ] - [ 0.0003597000000000, -0.0006206900000000, 0.0004107000000000 ] - [ 0.0005731900000000, -0.0005449100000000, 0.0003460900000000 ] - [ 0.0002230600000000, 0.0009714100000000, -0.0000723100000000 ] - [ -0.0024606400000000, 0.0065462300000000, -0.0022190900000000 ] - [ 0.0004284800000000, 0.0003505600000000, 0.0008903900000000 ] - [ -0.0000290500000000, 0.0002377700000000, 0.0007121300000000 ] - [ 0.0003773800000000, -0.0000641700000000, -0.0001944900000000 ] - [ 0.0004163700000000, 0.0000185400000000, -0.0000819700000000 ] - [ -0.0012328200000000, 0.0002948700000000, 0.0025573000000000 ] - [ -0.0000415100000000, -0.0000915200000000, 0.0006681300000000 ] - [ -0.0001018900000000, -0.0002970500000000, -0.0011311700000000 ] - [ -0.0002364200000000, 0.0003334600000000, 0.0000812900000000 ] - [ 0.0002184400000000, -0.0004762200000000, -0.0006460400000000 ] - [ 0.0002726600000000, -0.0005676600000000, -0.0005269900000000 ] - [ -0.0009149000000000, -0.0022596600000000, -0.0011608500000000 ] - [ -0.0000396300000000, 0.0000945900000000, 0.0000298200000000 ] - [ -0.0006975300000000, 0.0010094600000000, 0.0002767000000000 ] - [ -0.0006623100000000, 0.0001895300000000, -0.0001969000000000 ] - [ -0.0002801300000000, -0.0004299000000000, 0.0009528000000000 ] - [ -0.0001365500000000, -0.0004354400000000, 0.0007694400000000 ] - [ 0.0000662000000000, 0.0025271900000000, 0.0003670200000000 ] - [ 0.0007559800000000, 0.0007466000000000, -0.0005520800000000 ] - [ -0.0006398900000000, 0.0004866000000000, 0.0004874200000000 ] - [ -0.0005312900000000, 0.0002820400000000, 0.0001843100000000 ] - [ 0.0003232500000000, -0.0018894400000000, 0.0010123900000000 ] - [ 0.0003407600000000, -0.0001170800000000, 0.0002094300000000 ] - [ -0.0004860000000000, -0.0000214800000000, -0.0001202900000000 ] - [ -0.0005218100000000, 0.0000108700000000, -0.0000929100000000 ] - [ -0.0004914800000000, 0.0000383800000000, -0.0002144100000000 ] - [ -0.0003449500000000, 0.0000308300000000, 0.0000377400000000 ] - [ 0.0000234100000000, 0.0002134500000000, 0.0002941600000000 ] - [ -0.0000827400000000, 0.0002912300000000, 0.0000960200000000 ] - [ -0.0000481100000000, -0.0000962700000000, -0.0001991700000000 ] - [ 0.0000716600000000, -0.0000436700000000, -0.0003671700000000 ] - [ 0.0006044700000000, -0.0001287800000000, -0.0002014300000000 ] - [ 0.0006624500000000, -0.0000727800000000, -0.0002708100000000 ] - [ 0.0022321500000000, -0.0048931500000000, 0.0002370600000000 ] - [ 0.0004050100000000, 0.0001356200000000, -0.0001877700000000 ]- atom: 25 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0026590400000000, 0.0035683900000000, 0.0058553900000000 ] - [ 0.0004778900000000, -0.0008176000000000, -0.0000418700000000 ] - [ 0.0002249400000000, -0.0007407100000000, -0.0031639800000000 ] - [ -0.0001317100000000, 0.0007555800000000, -0.0015361200000000 ] - [ 0.0032297200000000, -0.0028331200000000, 0.0032970100000000 ] - [ -0.0016281700000000, 0.0000545100000000, 0.0002486200000000 ] - [ -0.0001632900000000, 0.0007524400000000, 0.0008228900000000 ] - [ 0.0001907700000000, 0.0007281200000000, 0.0006740900000000 ] - [ -0.0005623100000000, -0.0004938900000000, 0.0008709700000000 ] - [ 0.0000000600000000, -0.0004960200000000, 0.0012374900000000 ] - [ -0.0016289600000000, 0.0002289700000000, 0.0009858600000000 ] - [ 0.0021826600000000, -0.0006379600000000, 0.0017625900000000 ] - [ -0.0018113300000000, 0.0027784800000000, 0.0008986600000000 ] - [ 0.0007804700000000, -0.0002684600000000, -0.0007531800000000 ] - [ 0.0000584300000000, 0.0003839100000000, 0.0008011300000000 ] - [ 0.0002939000000000, 0.0005341100000000, -0.0001800700000000 ] - [ -0.0000019800000000, -0.0003176700000000, 0.0011574100000000 ] - [ -0.0005326300000000, -0.0005276600000000, 0.0011294400000000 ] - [ 0.0007089900000000, -0.0009368400000000, -0.0036754600000000 ] - [ -0.0003330600000000, -0.0007993900000000, -0.0009657600000000 ] - [ -0.0000214200000000, -0.0000377800000000, 0.0013040700000000 ] - [ 0.0000625400000000, 0.0008242700000000, 0.0005106100000000 ] - [ 0.0001696900000000, -0.0004598900000000, 0.0004504600000000 ] - [ 0.0004245000000000, -0.0004181900000000, 0.0002200300000000 ] - [ 0.0098120800000000, -0.0001096900000000, -0.0293768700000000 ] - [ -0.0003358100000000, 0.0005351800000000, -0.0003077700000000 ] - [ -0.0002624500000000, 0.0002758400000000, -0.0002286500000000 ] - [ 0.0003501100000000, 0.0007876600000000, -0.0003845400000000 ] - [ -0.0004610500000000, -0.0001544900000000, 0.0006523100000000 ] - [ 0.0002109100000000, -0.0004177700000000, 0.0003798200000000 ] - [ 0.0003030500000000, 0.0002553600000000, -0.0002452500000000 ] - [ -0.0001733900000000, 0.0003712500000000, -0.0001757100000000 ] - [ -0.0002516700000000, -0.0005499000000000, 0.0005513500000000 ] - [ -0.0000424500000000, -0.0005475300000000, 0.0004715800000000 ] - [ -0.0021765800000000, 0.0003587100000000, -0.0017933900000000 ] - [ -0.0021943900000000, 0.0003351400000000, -0.0019010100000000 ] - [ 0.0000475400000000, -0.0003901700000000, 0.0004180800000000 ] - [ 0.0000532300000000, -0.0003795600000000, 0.0004233200000000 ] - [ 0.0003467900000000, -0.0004033100000000, 0.0006740300000000 ] - [ 0.0000866800000000, -0.0005214900000000, 0.0001368000000000 ] - [ 0.0001709700000000, -0.0002188500000000, 0.0008659200000000 ] - [ 0.0000893200000000, -0.0001294400000000, 0.0008825000000000 ] - [ 0.0004200400000000, 0.0007770800000000, -0.0006778300000000 ] - [ 0.0002353700000000, 0.0005868900000000, -0.0007170100000000 ] - [ 0.0000764200000000, -0.0003810800000000, -0.0001227100000000 ] - [ -0.0000323600000000, 0.0000501800000000, -0.0001082300000000 ] - [ 0.0034118200000000, -0.0067427600000000, 0.0028115700000000 ] - [ 0.0000491400000000, -0.0001751800000000, -0.0006977700000000 ] - [ -0.0008157700000000, -0.0000586600000000, 0.0003424000000000 ] - [ -0.0008373200000000, -0.0000570600000000, 0.0001795900000000 ] - [ 0.0005042000000000, -0.0008630300000000, -0.0002237600000000 ] - [ 0.0004005900000000, -0.0005026500000000, -0.0003347500000000 ] - [ 0.0002582200000000, 0.0000963900000000, -0.0003431300000000 ] - [ 0.0011911200000000, 0.0028831900000000, 0.0017009900000000 ] - [ -0.0001150700000000, -0.0003147200000000, 0.0015897500000000 ] - [ 0.0003171400000000, -0.0001248700000000, 0.0007484200000000 ] - [ -0.0011554400000000, 0.0008224900000000, 0.0030697000000000 ] - [ -0.0005588100000000, -0.0000286200000000, -0.0001018300000000 ] - [ -0.0032117900000000, 0.0010478100000000, 0.0082632500000000 ] - [ 0.0008323000000000, -0.0000898400000000, -0.0003032500000000 ] - [ -0.0002343200000000, -0.0005078000000000, -0.0004857700000000 ] - [ -0.0001158400000000, -0.0002603600000000, -0.0002585300000000 ] - [ 0.0000123200000000, 0.0001346200000000, 0.0003951100000000 ] - [ 0.0000029100000000, 0.0001897700000000, 0.0004338700000000 ] - [ 0.0000730700000000, -0.0001763100000000, 0.0000048800000000 ] - [ -0.0001286000000000, -0.0002051300000000, 0.0000664200000000 ] - [ -0.0008382800000000, 0.0008521500000000, 0.0011011800000000 ] - [ -0.0004722800000000, 0.0007180100000000, 0.0002204100000000 ] - [ 0.0000360900000000, 0.0004556800000000, 0.0016722600000000 ] - [ -0.0003186500000000, -0.0008978800000000, 0.0005828200000000 ] - [ 0.0004373500000000, -0.0008411200000000, 0.0007759400000000 ] - [ 0.0002222300000000, -0.0005678100000000, 0.0005168900000000 ] - [ -0.0034466200000000, -0.0015072900000000, 0.0051879800000000 ] - [ 0.0001542400000000, 0.0001883000000000, 0.0002451400000000 ] - [ 0.0000442200000000, -0.0001031000000000, 0.0002517500000000 ] - [ -0.0017220700000000, -0.0028937700000000, -0.0009926900000000 ] - [ -0.0001849100000000, -0.0004067100000000, -0.0010733100000000 ] - [ 0.0000598200000000, -0.0006069700000000, -0.0005603000000000 ] - [ 0.0006043500000000, 0.0009041000000000, 0.0002406200000000 ] - [ 0.0007751100000000, 0.0004685600000000, 0.0002886100000000 ] - [ 0.0001023900000000, 0.0005546000000000, 0.0000814500000000 ] - [ -0.0001800900000000, 0.0007291600000000, -0.0000347000000000 ] - [ -0.0001632100000000, -0.0006998300000000, -0.0005300500000000 ] - [ -0.0000922000000000, -0.0006810600000000, -0.0004424800000000 ] - [ 0.0001175000000000, 0.0009222700000000, -0.0003292700000000 ] - [ -0.0004330400000000, 0.0008922800000000, -0.0001630100000000 ] - [ -0.0001638300000000, -0.0008121400000000, -0.0002485500000000 ] - [ -0.0000319900000000, -0.0007870600000000, -0.0000664400000000 ] - [ -0.0028017300000000, 0.0046126200000000, -0.0010316900000000 ] - [ -0.0000412200000000, 0.0005866400000000, 0.0008020800000000 ] - [ -0.0004068200000000, 0.0000733600000000, -0.0001067800000000 ] - [ 0.0001801500000000, 0.0009453400000000, 0.0002209200000000 ] - [ 0.0021466900000000, -0.0013584900000000, -0.0057355000000000 ] - [ -0.0011890100000000, -0.0000306100000000, 0.0003047900000000 ] - [ 0.0001111700000000, -0.0004303700000000, -0.0003196400000000 ] - [ -0.0002490200000000, -0.0002223200000000, -0.0003468000000000 ] - [ -0.0000325000000000, -0.0005458100000000, -0.0009178200000000 ] - [ -0.0002023700000000, -0.0005365400000000, -0.0006029600000000 ] - [ 0.0009304800000000, 0.0002492000000000, -0.0007704600000000 ] - [ 0.0002196800000000, 0.0000590200000000, -0.0002888900000000 ] - [ 0.0003445700000000, 0.0004610100000000, 0.0004589600000000 ] - [ 0.0004886300000000, -0.0004493600000000, 0.0006247200000000 ] - [ 0.0000718200000000, -0.0005973700000000, 0.0007249000000000 ] - [ 0.0005280400000000, -0.0005987800000000, 0.0005848100000000 ] - [ 0.0003789400000000, -0.0001680400000000, -0.0006910100000000 ] - [ 0.0001876100000000, -0.0001975900000000, -0.0005308600000000 ] - [ -0.0001109900000000, -0.0005047500000000, -0.0007233200000000 ] - [ 0.0001085000000000, -0.0001879500000000, 0.0001625800000000 ] - [ -0.0002119800000000, 0.0033218300000000, 0.0000749600000000 ] - [ -0.0000968600000000, 0.0007726200000000, 0.0006651700000000 ] - [ 0.0001128300000000, -0.0002618600000000, -0.0011594900000000 ] - [ 0.0001068600000000, -0.0003443600000000, -0.0011300400000000 ] - [ 0.0008659000000000, 0.0020966900000000, 0.0045621300000000 ] - [ 0.0003916100000000, 0.0004318600000000, 0.0002713300000000 ] - [ -0.0008419600000000, -0.0003162200000000, 0.0006253300000000 ] - [ -0.0004849200000000, -0.0002184200000000, 0.0002243100000000 ] - [ -0.0001757000000000, -0.0009622700000000, -0.0000084400000000 ] - [ -0.0004530400000000, -0.0006623300000000, 0.0003172700000000 ] - [ -0.0003024600000000, -0.0001457100000000, 0.0020418800000000 ] - [ 0.0005511800000000, 0.0008678500000000, 0.0001265300000000 ] - [ -0.0003447400000000, 0.0000329000000000, -0.0009587000000000 ] - [ -0.0004766600000000, 0.0001789100000000, -0.0001655100000000 ] - [ 0.0002031100000000, -0.0002807700000000, 0.0011136300000000 ] - [ 0.0012640900000000, -0.0000850100000000, 0.0000685800000000 ] - [ -0.0006158400000000, 0.0005540800000000, -0.0010693100000000 ] - [ -0.0007479700000000, 0.0004620900000000, -0.0008250600000000 ] - [ -0.0007100200000000, 0.0003125400000000, -0.0005612000000000 ] - [ -0.0002678300000000, 0.0001418100000000, -0.0003239800000000 ] - [ 0.0003943300000000, 0.0002716300000000, -0.0000981700000000 ] - [ -0.0001746300000000, 0.0002119700000000, -0.0000434900000000 ] - [ 0.0004425100000000, 0.0001253400000000, -0.0013317800000000 ] - [ 0.0000038900000000, -0.0000252300000000, -0.0007954800000000 ] - [ 0.0007605000000000, -0.0001564800000000, -0.0007571000000000 ] - [ 0.0005807200000000, -0.0001610000000000, -0.0006256300000000 ] - [ -0.0011835900000000, 0.0008854800000000, 0.0024610600000000 ] - [ 0.0007589700000000, -0.0001084100000000, 0.0005747500000000 ]- atom: 25 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ 0.0026066700000000, -0.0052616100000000, -0.0056677400000000 ] - [ -0.0005523800000000, -0.0008165400000000, 0.0002933700000000 ] - [ 0.0003349900000000, 0.0018979900000000, 0.0019967500000000 ] - [ 0.0006812800000000, 0.0003990900000000, 0.0003781700000000 ] - [ -0.0036891000000000, 0.0039339000000000, -0.0023939600000000 ] - [ 0.0011415800000000, 0.0010685400000000, 0.0006437500000000 ] - [ 0.0002421300000000, 0.0008814400000000, -0.0010738700000000 ] - [ -0.0001129000000000, 0.0009062700000000, -0.0009257600000000 ] - [ 0.0000787400000000, -0.0006307600000000, 0.0000228900000000 ] - [ -0.0004874100000000, -0.0006286000000000, -0.0003409500000000 ] - [ 0.0010799900000000, 0.0009267200000000, 0.0001707800000000 ] - [ -0.0027529100000000, 0.0017975800000000, -0.0006041900000000 ] - [ 0.0022760600000000, -0.0038742900000000, -0.0017788900000000 ] - [ -0.0002970700000000, -0.0008560800000000, -0.0001423900000000 ] - [ 0.0004267000000000, 0.0007409100000000, -0.0016978500000000 ] - [ 0.0001916800000000, 0.0005897000000000, -0.0007138200000000 ] - [ -0.0005511100000000, -0.0008363400000000, -0.0000013800000000 ] - [ -0.0000206200000000, -0.0006248800000000, 0.0000263500000000 ] - [ -0.0006409800000000, -0.0007171200000000, 0.0034265000000000 ] - [ 0.0004153900000000, -0.0008338500000000, 0.0007127000000000 ] - [ -0.0000578300000000, 0.0016704900000000, -0.0010544600000000 ] - [ -0.0001407600000000, 0.0008091900000000, -0.0002618900000000 ] - [ 0.0003833500000000, -0.0006940000000000, -0.0016096600000000 ] - [ 0.0001282600000000, -0.0007346000000000, -0.0013776000000000 ] - [ -0.0098718700000000, 0.0014336500000000, 0.0295446300000000 ] - [ 0.0000568300000000, 0.0005316500000000, 0.0005921700000000 ] - [ 0.0005418200000000, 0.0007916600000000, -0.0000539000000000 ] - [ -0.0000685700000000, 0.0002791600000000, 0.0001015400000000 ] - [ 0.0003782600000000, -0.0005778100000000, -0.0007429000000000 ] - [ -0.0002946400000000, -0.0003151600000000, -0.0004739300000000 ] - [ -0.0003878300000000, 0.0004783900000000, 0.0001579900000000 ] - [ 0.0000910100000000, 0.0003615400000000, 0.0000837100000000 ] - [ -0.0000274200000000, -0.0005170300000000, -0.0002676200000000 ] - [ -0.0002365100000000, -0.0005187000000000, -0.0001890600000000 ] - [ 0.0022504000000000, 0.0003732400000000, 0.0018983300000000 ] - [ 0.0022875400000000, 0.0003976600000000, 0.0019785400000000 ] - [ 0.0000360700000000, -0.0003431100000000, -0.0003258000000000 ] - [ 0.0000296200000000, -0.0003531700000000, -0.0003320000000000 ] - [ -0.0000665900000000, -0.0006624100000000, -0.0009585000000000 ] - [ 0.0001926800000000, -0.0005454400000000, -0.0004226200000000 ] - [ -0.0003776300000000, 0.0007495000000000, 0.0007141200000000 ] - [ -0.0002948300000000, 0.0006585400000000, 0.0006986000000000 ] - [ -0.0002160700000000, -0.0002505400000000, -0.0009056100000000 ] - [ -0.0000308600000000, -0.0000597300000000, -0.0008658300000000 ] - [ -0.0000775600000000, 0.0003867700000000, 0.0001219000000000 ] - [ 0.0000325400000000, -0.0000506500000000, 0.0001075800000000 ] - [ -0.0031806700000000, 0.0062278300000000, -0.0044174500000000 ] - [ 0.0001571400000000, -0.0003551300000000, -0.0008837700000000 ] - [ -0.0001952700000000, 0.0001641200000000, -0.0011482600000000 ] - [ -0.0001742000000000, 0.0001624500000000, -0.0009848300000000 ] - [ -0.0000912600000000, 0.0004603500000000, -0.0005052800000000 ] - [ 0.0000115500000000, 0.0001025300000000, -0.0003952300000000 ] - [ 0.0001545900000000, 0.0003068500000000, -0.0003858500000000 ] - [ -0.0007810800000000, -0.0024702400000000, -0.0024395300000000 ] - [ 0.0011279300000000, 0.0002104400000000, -0.0007880000000000 ] - [ 0.0006918500000000, 0.0000186200000000, 0.0000599300000000 ] - [ 0.0001783000000000, -0.0009246800000000, -0.0039031400000000 ] - [ -0.0004506200000000, -0.0000775800000000, -0.0007056900000000 ] - [ 0.0041765100000000, -0.0009756600000000, -0.0074049300000000 ] - [ 0.0001787000000000, 0.0001953700000000, 0.0011073700000000 ] - [ 0.0002337000000000, 0.0005060300000000, 0.0004841900000000 ] - [ 0.0001161700000000, 0.0002614200000000, 0.0002593400000000 ] - [ -0.0004237600000000, -0.0005340900000000, 0.0003343800000000 ] - [ -0.0004157400000000, -0.0005910900000000, 0.0002950000000000 ] - [ -0.0000717100000000, 0.0001779800000000, -0.0000042400000000 ] - [ 0.0001280100000000, 0.0002057200000000, -0.0000662900000000 ] - [ 0.0004290800000000, -0.0004633900000000, -0.0003632300000000 ] - [ 0.0000613600000000, -0.0003193700000000, 0.0005091400000000 ] - [ -0.0002259800000000, -0.0009605300000000, -0.0000769500000000 ] - [ 0.0001144600000000, 0.0003711500000000, 0.0009996500000000 ] - [ -0.0004388100000000, 0.0008427700000000, -0.0007782400000000 ] - [ -0.0002211800000000, 0.0005646300000000, -0.0005141500000000 ] - [ 0.0032605600000000, 0.0014152600000000, -0.0056518400000000 ] - [ -0.0000267500000000, -0.0000575200000000, -0.0010865600000000 ] - [ -0.0008265700000000, 0.0001600400000000, -0.0000376400000000 ] - [ 0.0009359300000000, 0.0029362800000000, 0.0012087500000000 ] - [ 0.0001662800000000, -0.0007290200000000, 0.0003108100000000 ] - [ -0.0000821300000000, -0.0005292400000000, -0.0002059900000000 ] - [ 0.0005409700000000, -0.0005467100000000, 0.0002455600000000 ] - [ 0.0003706800000000, -0.0001139500000000, 0.0001965100000000 ] - [ -0.0000821300000000, 0.0005820900000000, 0.0006830600000000 ] - [ 0.0002033600000000, 0.0004051800000000, 0.0007992400000000 ] - [ 0.0000620300000000, -0.0003994200000000, 0.0004394800000000 ] - [ -0.0000055600000000, -0.0004151500000000, 0.0003534700000000 ] - [ -0.0001402900000000, 0.0002109600000000, -0.0004350800000000 ] - [ 0.0004106100000000, 0.0002486700000000, -0.0006008200000000 ] - [ 0.0002585500000000, -0.0005177800000000, 0.0007538700000000 ] - [ 0.0001286800000000, -0.0005413000000000, 0.0005726100000000 ] - [ 0.0023147800000000, -0.0035868900000000, 0.0023213600000000 ] - [ -0.0004458200000000, 0.0004479800000000, 0.0004800600000000 ] - [ 0.0003013300000000, 0.0012419700000000, -0.0004108400000000 ] - [ -0.0002756600000000, 0.0003857100000000, -0.0007262000000000 ] - [ -0.0032626600000000, 0.0010094800000000, 0.0058961900000000 ] - [ 0.0000631700000000, -0.0003272200000000, -0.0001336800000000 ] - [ -0.0000111300000000, -0.0006673900000000, 0.0004092000000000 ] - [ 0.0003466900000000, -0.0008729000000000, 0.0004353200000000 ] - [ -0.0000620300000000, -0.0007855800000000, 0.0004131400000000 ] - [ 0.0001075300000000, -0.0007942300000000, 0.0000980500000000 ] - [ 0.0002117500000000, -0.0006078700000000, 0.0012609300000000 ] - [ 0.0009256200000000, -0.0004134400000000, 0.0007725500000000 ] - [ -0.0004450900000000, 0.0006392800000000, -0.0005517500000000 ] - [ -0.0005950400000000, 0.0015618300000000, -0.0007240800000000 ] - [ -0.0000494600000000, -0.0005370100000000, 0.0000412400000000 ] - [ -0.0005047700000000, -0.0005409300000000, 0.0001813000000000 ] - [ 0.0003999700000000, 0.0001088600000000, 0.0004732000000000 ] - [ 0.0005927400000000, 0.0001432200000000, 0.0003143000000000 ] - [ -0.0000387700000000, 0.0003759800000000, 0.0015925800000000 ] - [ -0.0002330000000000, 0.0000575000000000, 0.0006770800000000 ] - [ 0.0004284400000000, -0.0019058200000000, 0.0002728700000000 ] - [ 0.0001904700000000, 0.0005585500000000, -0.0001617400000000 ] - [ 0.0003725000000000, -0.0007726100000000, -0.0001245300000000 ] - [ 0.0003791100000000, -0.0006884700000000, -0.0001546700000000 ] - [ -0.0008515700000000, -0.0010578600000000, -0.0045541700000000 ] - [ -0.0002944000000000, 0.0006646800000000, -0.0001835600000000 ] - [ -0.0003032000000000, -0.0000380200000000, -0.0011054700000000 ] - [ -0.0006589000000000, -0.0001341900000000, -0.0007071000000000 ] - [ -0.0003092900000000, -0.0000697400000000, 0.0012915700000000 ] - [ -0.0000325000000000, -0.0003711200000000, 0.0009663600000000 ] - [ 0.0007944800000000, 0.0011650100000000, -0.0033319500000000 ] - [ -0.0000679500000000, 0.0001636600000000, -0.0014104900000000 ] - [ -0.0007780700000000, 0.0003285700000000, 0.0011313200000000 ] - [ -0.0006484700000000, 0.0001787500000000, 0.0003331500000000 ] - [ 0.0009559000000000, 0.0006606500000000, -0.0012442400000000 ] - [ -0.0001399100000000, 0.0004429200000000, -0.0002338200000000 ] - [ -0.0005287400000000, -0.0002004700000000, 0.0005850900000000 ] - [ -0.0003974600000000, -0.0001058400000000, 0.0003378200000000 ] - [ -0.0000699000000000, -0.0003703800000000, 0.0007774700000000 ] - [ -0.0005113300000000, -0.0001983700000000, 0.0005410200000000 ] - [ -0.0005192900000000, -0.0001412200000000, 0.0009347900000000 ] - [ 0.0000468500000000, -0.0000825000000000, 0.0008881200000000 ] - [ -0.0003173700000000, -0.0002562500000000, 0.0004914000000000 ] - [ 0.0001226400000000, -0.0001049400000000, -0.0000485700000000 ] - [ 0.0003610300000000, -0.0002021900000000, 0.0005916500000000 ] - [ 0.0005475100000000, -0.0001950300000000, 0.0004487500000000 ] - [ 0.0019746000000000, -0.0008449600000000, -0.0026766100000000 ] - [ 0.0000212800000000, 0.0001627500000000, -0.0007919900000000 ]- atom: 29 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0000790300000000, -0.0008195900000000, -0.0001000800000000 ] - [ 0.0000036400000000, -0.0007844600000000, 0.0003535700000000 ] - [ -0.0000550000000000, 0.0001417300000000, -0.0009989700000000 ] - [ 0.0005555300000000, 0.0005201700000000, -0.0003587500000000 ] - [ 0.0009668100000000, 0.0003287700000000, 0.0003864300000000 ] - [ -0.0018515500000000, 0.0025663300000000, 0.0027957100000000 ] - [ -0.0003777000000000, 0.0024451300000000, 0.0029375800000000 ] - [ 0.0013464400000000, 0.0005980600000000, -0.0007947600000000 ] - [ -0.0005449700000000, -0.0006638400000000, 0.0012206100000000 ] - [ 0.0000028700000000, -0.0005447500000000, 0.0002148300000000 ] - [ -0.0003109500000000, 0.0005875600000000, 0.0008035800000000 ] - [ -0.0002447900000000, 0.0005937000000000, 0.0003507100000000 ] - [ -0.0002647000000000, 0.0010243000000000, -0.0033321600000000 ] - [ 0.0015130700000000, -0.0008377700000000, 0.0000914400000000 ] - [ 0.0000751000000000, 0.0005393900000000, -0.0013138800000000 ] - [ 0.0004883000000000, 0.0005442700000000, -0.0001819200000000 ] - [ 0.0009314300000000, -0.0006710000000000, 0.0002123900000000 ] - [ -0.0015280800000000, -0.0027206400000000, 0.0015094900000000 ] - [ 0.0003173400000000, -0.0007698600000000, -0.0003554000000000 ] - [ -0.0001728900000000, -0.0013879200000000, 0.0004408900000000 ] - [ -0.0005389700000000, -0.0013329800000000, -0.0003788400000000 ] - [ 0.0013036000000000, 0.0012445800000000, 0.0002586500000000 ] - [ -0.0010211100000000, 0.0005266800000000, -0.0035720300000000 ] - [ 0.0014143000000000, -0.0003078900000000, -0.0002452800000000 ] - [ 0.0000595900000000, 0.0006585200000000, -0.0002313600000000 ] - [ 0.0000399800000000, 0.0006544600000000, 0.0004786000000000 ] - [ 0.0001170900000000, 0.0005281600000000, -0.0001449300000000 ] - [ 0.0001178000000000, 0.0005066300000000, -0.0001389000000000 ] - [ -0.0288732700000000, -0.0017317700000000, 0.0012393700000000 ] - [ 0.0005359300000000, -0.0003400400000000, -0.0000501300000000 ] - [ -0.0000205400000000, 0.0003533100000000, -0.0001641000000000 ] - [ -0.0000151000000000, 0.0003443800000000, 0.0000716500000000 ] - [ -0.0012140300000000, -0.0007952800000000, 0.0001121000000000 ] - [ 0.0002181600000000, -0.0005166300000000, 0.0001340100000000 ] - [ 0.0002205800000000, 0.0003602900000000, 0.0000572400000000 ] - [ -0.0005243400000000, 0.0006094100000000, 0.0000494900000000 ] - [ 0.0004285300000000, -0.0005046800000000, 0.0003763300000000 ] - [ 0.0003713500000000, -0.0004686500000000, -0.0002753600000000 ] - [ 0.0063673600000000, -0.0005483800000000, -0.0002055700000000 ] - [ 0.0066093900000000, -0.0004469400000000, -0.0001093900000000 ] - [ 0.0025733500000000, -0.0032247900000000, 0.0021513800000000 ] - [ -0.0002854900000000, 0.0004262500000000, 0.0007662400000000 ] - [ 0.0027055400000000, 0.0033100100000000, 0.0010979000000000 ] - [ -0.0000022200000000, 0.0003131000000000, -0.0007831800000000 ] - [ -0.0000848600000000, 0.0002101300000000, 0.0000422100000000 ] - [ -0.0000133100000000, -0.0000340700000000, -0.0000766000000000 ] - [ -0.0000012800000000, -0.0000817600000000, -0.0008311000000000 ] - [ 0.0002191700000000, -0.0004799600000000, -0.0007395500000000 ] - [ -0.0008201700000000, -0.0000695600000000, 0.0001653900000000 ] - [ -0.0003309300000000, 0.0001439800000000, -0.0008187800000000 ] - [ 0.0003881800000000, -0.0008740100000000, -0.0000491200000000 ] - [ -0.0023193900000000, 0.0044782800000000, -0.0025305900000000 ] - [ 0.0003111200000000, 0.0003835000000000, -0.0003425300000000 ] - [ 0.0000917500000000, -0.0000029900000000, -0.0003939100000000 ] - [ 0.0007805200000000, 0.0000308600000000, 0.0001049600000000 ] - [ 0.0003460400000000, -0.0001044500000000, 0.0006082600000000 ] - [ -0.0002120400000000, -0.0002329400000000, -0.0013023100000000 ] - [ -0.0034183300000000, 0.0011726500000000, 0.0054514800000000 ] - [ 0.0032444800000000, -0.0005082000000000, -0.0034735100000000 ] - [ 0.0002780300000000, 0.0000991500000000, 0.0006701800000000 ] - [ -0.0001879600000000, -0.0003584800000000, -0.0003060900000000 ] - [ 0.0000683800000000, 0.0002843000000000, 0.0002560100000000 ] - [ -0.0030970500000000, -0.0057182100000000, -0.0017364700000000 ] - [ 0.0000640900000000, 0.0005990800000000, 0.0006605300000000 ] - [ 0.0000531800000000, -0.0002997000000000, -0.0000217300000000 ] - [ 0.0000029100000000, 0.0001365100000000, 0.0000007500000000 ] - [ -0.0003602200000000, 0.0004942100000000, 0.0003315700000000 ] - [ -0.0000875600000000, -0.0000941000000000, 0.0004514600000000 ] - [ -0.0002061700000000, -0.0003673400000000, 0.0007632300000000 ] - [ 0.0000228000000000, -0.0001946700000000, 0.0007586500000000 ] - [ 0.0000365600000000, 0.0000843300000000, -0.0001055800000000 ] - [ -0.0000020700000000, -0.0000451800000000, 0.0000428600000000 ] - [ -0.0019150200000000, 0.0006111400000000, 0.0035273700000000 ] - [ -0.0000701800000000, -0.0000789100000000, -0.0006659700000000 ] - [ -0.0004177700000000, -0.0000671300000000, -0.0000828000000000 ] - [ -0.0003241100000000, 0.0001463500000000, 0.0002479400000000 ] - [ -0.0000524500000000, -0.0006769100000000, -0.0001312700000000 ] - [ -0.0000927400000000, -0.0005821100000000, -0.0005856000000000 ] - [ 0.0003684200000000, 0.0004056800000000, 0.0006133100000000 ] - [ 0.0003594100000000, -0.0000546200000000, -0.0001433500000000 ] - [ -0.0000770400000000, 0.0005814700000000, 0.0000971400000000 ] - [ -0.0000630700000000, 0.0004517300000000, 0.0006732800000000 ] - [ -0.0008039200000000, -0.0009763900000000, -0.0004511600000000 ] - [ 0.0021558000000000, 0.0008796900000000, 0.0014614600000000 ] - [ 0.0006728000000000, 0.0008729200000000, -0.0002037000000000 ] - [ -0.0003659800000000, 0.0005628100000000, -0.0004803100000000 ] - [ -0.0018008000000000, -0.0035516500000000, -0.0017565900000000 ] - [ -0.0002702500000000, -0.0006395400000000, 0.0002333100000000 ] - [ -0.0002034500000000, 0.0004316300000000, 0.0008503200000000 ] - [ -0.0003286700000000, 0.0006324600000000, 0.0004745400000000 ] - [ -0.0000659500000000, 0.0006934000000000, -0.0001387100000000 ] - [ -0.0001136200000000, 0.0006992600000000, -0.0003877100000000 ] - [ 0.0034122500000000, -0.0009034100000000, -0.0014889300000000 ] - [ -0.0012046400000000, -0.0003629300000000, -0.0003218400000000 ] - [ 0.0030655200000000, -0.0039593100000000, 0.0017264100000000 ] - [ -0.0006746900000000, -0.0001558800000000, -0.0000662000000000 ] - [ 0.0033328600000000, -0.0013700500000000, 0.0001938800000000 ] - [ -0.0007049400000000, -0.0008830400000000, 0.0000233700000000 ] - [ 0.0006836700000000, -0.0003357300000000, 0.0003296600000000 ] - [ 0.0004999700000000, -0.0001563800000000, 0.0002301800000000 ] - [ -0.0002368700000000, 0.0007222300000000, -0.0001617100000000 ] - [ 0.0002225500000000, 0.0004358400000000, 0.0000877900000000 ] - [ -0.0003453300000000, -0.0005667500000000, 0.0004778000000000 ] - [ 0.0007080600000000, -0.0003026400000000, 0.0003545300000000 ] - [ 0.0033074700000000, 0.0037268000000000, 0.0012924000000000 ] - [ -0.0002499900000000, -0.0004385400000000, -0.0004246500000000 ] - [ -0.0008228800000000, -0.0001487700000000, 0.0010425800000000 ] - [ 0.0017362700000000, 0.0005911800000000, -0.0023079400000000 ] - [ 0.0000731500000000, 0.0005558700000000, 0.0003619500000000 ] - [ 0.0000437100000000, 0.0007207600000000, 0.0000236500000000 ] - [ -0.0017148900000000, 0.0029157300000000, -0.0021317300000000 ] - [ 0.0000578300000000, -0.0006007500000000, -0.0003853000000000 ] - [ 0.0001113300000000, 0.0006021300000000, 0.0003065400000000 ] - [ -0.0000251600000000, 0.0004683200000000, -0.0000810800000000 ] - [ -0.0005778900000000, -0.0001197100000000, 0.0001097700000000 ] - [ -0.0007565500000000, -0.0002125700000000, -0.0006561700000000 ] - [ 0.0036194400000000, 0.0008728500000000, 0.0010831600000000 ] - [ -0.0009614800000000, -0.0002988000000000, 0.0005969700000000 ] - [ 0.0000420700000000, 0.0006383800000000, -0.0004873400000000 ] - [ 0.0005220700000000, 0.0003594200000000, -0.0008987300000000 ] - [ -0.0006980800000000, 0.0001621200000000, 0.0003678600000000 ] - [ -0.0005451600000000, 0.0002175600000000, -0.0000938500000000 ] - [ -0.0000390500000000, 0.0001779400000000, 0.0005046600000000 ] - [ 0.0033556900000000, -0.0008677000000000, -0.0041533200000000 ] - [ 0.0000565500000000, 0.0001298800000000, -0.0002288400000000 ] - [ -0.0008822600000000, 0.0000771200000000, -0.0002314600000000 ] - [ -0.0011348400000000, 0.0004548000000000, 0.0000288600000000 ] - [ 0.0020206700000000, -0.0012255700000000, 0.0003160000000000 ] - [ 0.0002580600000000, 0.0001894500000000, -0.0000106000000000 ] - [ -0.0002604800000000, 0.0000048200000000, 0.0007345700000000 ] - [ 0.0003327400000000, -0.0000791400000000, 0.0000254300000000 ] - [ -0.0001479700000000, -0.0000133800000000, -0.0006774100000000 ] - [ 0.0007928000000000, -0.0001835200000000, -0.0006923300000000 ] - [ 0.0002999100000000, -0.0001358600000000, 0.0002665400000000 ] - [ 0.0005302200000000, -0.0001726500000000, 0.0002715400000000 ] - [ 0.0001826700000000, 0.0001699000000000, -0.0003630500000000 ]- atom: 29 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0000006700000000, -0.0008142600000000, 0.0003555800000000 ] - [ -0.0000835700000000, -0.0008502400000000, -0.0000970200000000 ] - [ 0.0006063400000000, 0.0010142700000000, -0.0001642900000000 ] - [ -0.0000036900000000, 0.0006346900000000, -0.0008068000000000 ] - [ -0.0014545300000000, 0.0008008200000000, 0.0005016900000000 ] - [ 0.0013830500000000, -0.0014323400000000, -0.0019005100000000 ] - [ 0.0004491400000000, -0.0008043200000000, -0.0031856700000000 ] - [ -0.0012662200000000, 0.0010385200000000, 0.0005405800000000 ] - [ 0.0000591100000000, -0.0004671200000000, -0.0003320000000000 ] - [ -0.0004875500000000, -0.0005862600000000, 0.0006755600000000 ] - [ -0.0002415300000000, 0.0005685700000000, 0.0003600300000000 ] - [ -0.0003075600000000, 0.0005626600000000, 0.0008138400000000 ] - [ 0.0007416200000000, -0.0021516500000000, 0.0024360600000000 ] - [ -0.0010274200000000, -0.0002909800000000, -0.0009845900000000 ] - [ 0.0004111700000000, 0.0005912000000000, 0.0004220200000000 ] - [ -0.0000044500000000, 0.0005863000000000, -0.0007077900000000 ] - [ -0.0014859500000000, -0.0004837800000000, 0.0009514200000000 ] - [ 0.0009905700000000, 0.0015596300000000, -0.0003451100000000 ] - [ -0.0002380500000000, -0.0008640700000000, 0.0000986900000000 ] - [ 0.0002524100000000, -0.0002468000000000, -0.0006963100000000 ] - [ 0.0004526500000000, 0.0029593400000000, 0.0006351300000000 ] - [ -0.0013830900000000, 0.0003870900000000, -0.0000022700000000 ] - [ 0.0015883300000000, -0.0016797900000000, 0.0024027400000000 ] - [ -0.0008654000000000, -0.0008486300000000, -0.0009171900000000 ] - [ -0.0003390300000000, 0.0004111000000000, 0.0005167800000000 ] - [ -0.0003183200000000, 0.0004154900000000, -0.0001933300000000 ] - [ 0.0001609400000000, 0.0005410900000000, -0.0001394600000000 ] - [ 0.0001608100000000, 0.0005627700000000, -0.0001467700000000 ] - [ 0.0287601800000000, 0.0010238300000000, -0.0013108100000000 ] - [ -0.0006158200000000, -0.0003943400000000, -0.0000429700000000 ] - [ -0.0000591100000000, 0.0003808700000000, 0.0000715100000000 ] - [ -0.0000649800000000, 0.0003900100000000, -0.0001655100000000 ] - [ 0.0009358500000000, -0.0002749500000000, 0.0001730700000000 ] - [ -0.0004966400000000, -0.0005524800000000, 0.0001501300000000 ] - [ -0.0001417200000000, 0.0003739100000000, 0.0000342500000000 ] - [ 0.0006038100000000, 0.0001252100000000, 0.0000443000000000 ] - [ -0.0003508000000000, -0.0002297900000000, -0.0002833000000000 ] - [ -0.0002913400000000, -0.0002661200000000, 0.0003677200000000 ] - [ -0.0059987600000000, -0.0005218200000000, -0.0000816700000000 ] - [ -0.0064331700000000, -0.0006233300000000, -0.0001765300000000 ] - [ -0.0027642000000000, 0.0037553800000000, -0.0005569800000000 ] - [ 0.0000801700000000, 0.0001026200000000, 0.0008136500000000 ] - [ -0.0024799200000000, -0.0027573900000000, -0.0026818300000000 ] - [ 0.0002128900000000, 0.0002261000000000, -0.0007915300000000 ] - [ 0.0000853300000000, -0.0002118800000000, -0.0000420100000000 ] - [ 0.0000127800000000, 0.0000344200000000, 0.0000762400000000 ] - [ 0.0002102100000000, -0.0004545800000000, -0.0007452600000000 ] - [ -0.0000105300000000, -0.0000556400000000, -0.0008375000000000 ] - [ -0.0001854000000000, 0.0001764800000000, -0.0009834500000000 ] - [ -0.0006765700000000, -0.0000369000000000, 0.0000045900000000 ] - [ 0.0000246000000000, 0.0004704500000000, -0.0006797400000000 ] - [ 0.0027109500000000, -0.0048619100000000, 0.0017914200000000 ] - [ 0.0001007900000000, 0.0000163100000000, -0.0003882800000000 ] - [ 0.0003203800000000, 0.0004032900000000, -0.0003366300000000 ] - [ 0.0002258500000000, -0.0001377600000000, 0.0007096100000000 ] - [ 0.0006596000000000, -0.0000028300000000, 0.0002078400000000 ] - [ -0.0007934400000000, 0.0001245700000000, 0.0004828200000000 ] - [ 0.0023996000000000, -0.0012749000000000, -0.0062578900000000 ] - [ -0.0022170600000000, 0.0006014800000000, 0.0042732800000000 ] - [ 0.0007314200000000, 0.0000069800000000, 0.0001390300000000 ] - [ 0.0001875000000000, 0.0003582200000000, 0.0003057800000000 ] - [ -0.0000687900000000, -0.0002843400000000, -0.0002562800000000 ] - [ 0.0026715500000000, 0.0053070100000000, 0.0024663200000000 ] - [ -0.0004758800000000, -0.0009957400000000, 0.0000706000000000 ] - [ -0.0000532500000000, 0.0002999300000000, 0.0000212900000000 ] - [ -0.0000034600000000, -0.0001369600000000, -0.0000009300000000 ] - [ -0.0000526900000000, -0.0000931500000000, 0.0003987000000000 ] - [ -0.0003258300000000, 0.0004958900000000, 0.0002786600000000 ] - [ -0.0000011800000000, -0.0001653600000000, 0.0008151300000000 ] - [ -0.0002309200000000, -0.0003396000000000, 0.0008188600000000 ] - [ -0.0000371700000000, -0.0000835700000000, 0.0001049000000000 ] - [ 0.0000016600000000, 0.0000446800000000, -0.0000427300000000 ] - [ 0.0020426100000000, -0.0004835500000000, -0.0043854400000000 ] - [ 0.0002011100000000, 0.0002052400000000, -0.0001869200000000 ] - [ -0.0003650800000000, 0.0001213800000000, 0.0003018800000000 ] - [ -0.0004588500000000, -0.0000924600000000, -0.0000289100000000 ] - [ 0.0000302100000000, -0.0004539300000000, -0.0006346200000000 ] - [ 0.0000714300000000, -0.0005503400000000, -0.0001807300000000 ] - [ 0.0007760000000000, -0.0000536100000000, -0.0001284600000000 ] - [ 0.0007840400000000, 0.0004075800000000, 0.0006285100000000 ] - [ 0.0000981400000000, 0.0005511300000000, 0.0006685100000000 ] - [ 0.0000836700000000, 0.0006822700000000, 0.0000919500000000 ] - [ 0.0006947800000000, -0.0001329400000000, 0.0003554200000000 ] - [ -0.0023516800000000, -0.0019181000000000, -0.0014628900000000 ] - [ -0.0006943900000000, 0.0002588300000000, -0.0005626000000000 ] - [ 0.0003445700000000, 0.0005710100000000, -0.0002853100000000 ] - [ 0.0018944900000000, 0.0022291400000000, 0.0022639000000000 ] - [ 0.0003658000000000, -0.0006860300000000, 0.0002684300000000 ] - [ -0.0002881900000000, 0.0006100000000000, 0.0004274600000000 ] - [ -0.0001628500000000, 0.0004092000000000, 0.0008028300000000 ] - [ -0.0000327100000000, 0.0006290300000000, -0.0003649100000000 ] - [ 0.0000156100000000, 0.0006243500000000, -0.0001153500000000 ] - [ -0.0044220700000000, 0.0004638400000000, 0.0015195100000000 ] - [ 0.0000814200000000, 0.0000079000000000, 0.0004970400000000 ] - [ -0.0029559500000000, 0.0028536400000000, -0.0016354800000000 ] - [ 0.0007788500000000, -0.0009482400000000, 0.0001570700000000 ] - [ -0.0033314600000000, -0.0000231700000000, -0.0005817700000000 ] - [ 0.0006076000000000, -0.0004364800000000, -0.0005302000000000 ] - [ 0.0004607900000000, -0.0000175700000000, 0.0001559000000000 ] - [ 0.0006439800000000, -0.0001963400000000, 0.0002546600000000 ] - [ 0.0001309400000000, 0.0003844700000000, 0.0000696500000000 ] - [ -0.0003283800000000, 0.0006700500000000, -0.0001798500000000 ] - [ 0.0003664500000000, -0.0005649300000000, 0.0002881600000000 ] - [ -0.0006871500000000, -0.0008306700000000, 0.0004102700000000 ] - [ -0.0025238400000000, -0.0037871600000000, -0.0015128500000000 ] - [ 0.0010311700000000, 0.0003819000000000, 0.0002043500000000 ] - [ 0.0006864100000000, 0.0000217500000000, -0.0001823100000000 ] - [ -0.0019464200000000, -0.0006844300000000, 0.0030780700000000 ] - [ 0.0000240600000000, 0.0007687900000000, 0.0001404700000000 ] - [ 0.0000538400000000, 0.0006031900000000, 0.0004786900000000 ] - [ 0.0022015600000000, -0.0039613000000000, 0.0008526700000000 ] - [ 0.0004306100000000, -0.0004377100000000, -0.0008938200000000 ] - [ -0.0000055000000000, 0.0005050400000000, -0.0002143000000000 ] - [ 0.0001309800000000, 0.0006387000000000, 0.0001735200000000 ] - [ -0.0005663100000000, -0.0002319800000000, -0.0005937600000000 ] - [ -0.0003875700000000, -0.0001392100000000, 0.0001718500000000 ] - [ -0.0040092300000000, -0.0017686700000000, 0.0001881200000000 ] - [ 0.0004709100000000, -0.0007475700000000, 0.0006795900000000 ] - [ 0.0004486800000000, 0.0004030200000000, -0.0007900000000000 ] - [ -0.0000314800000000, 0.0006814600000000, -0.0003791600000000 ] - [ -0.0004266800000000, 0.0001950500000000, -0.0001981200000000 ] - [ -0.0005792000000000, 0.0001396200000000, 0.0002628100000000 ] - [ 0.0011618500000000, 0.0001799300000000, -0.0006714600000000 ] - [ -0.0022308500000000, 0.0012271400000000, 0.0039893200000000 ] - [ -0.0012005300000000, 0.0002222900000000, -0.0002545300000000 ] - [ -0.0002622300000000, 0.0002747700000000, -0.0002534300000000 ] - [ 0.0003496800000000, -0.0005059200000000, 0.0001900600000000 ] - [ -0.0028926700000000, 0.0010416200000000, -0.0000810000000000 ] - [ -0.0003914600000000, -0.0000641400000000, 0.0008661800000000 ] - [ 0.0001264600000000, 0.0001211500000000, 0.0001220000000000 ] - [ -0.0001998200000000, -0.0000464200000000, -0.0008812300000000 ] - [ 0.0002812800000000, -0.0001121900000000, -0.0001792700000000 ] - [ 0.0003301100000000, -0.0001751000000000, 0.0005253300000000 ] - [ 0.0008244000000000, -0.0002206800000000, -0.0004384800000000 ] - [ 0.0002524700000000, 0.0002275900000000, -0.0004905400000000 ] - [ 0.0005999900000000, -0.0001168700000000, 0.0001446500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000847400000000, -0.0008832800000000, 0.0001439900000000 ] - [ -0.0000290700000000, -0.0009059800000000, 0.0001665500000000 ] - [ 0.0003116200000000, 0.0010713600000000, -0.0004333600000000 ] - [ 0.0002920000000000, 0.0006712800000000, -0.0005802500000000 ] - [ -0.0007351000000000, 0.0006717800000000, 0.0004602400000000 ] - [ 0.0013871500000000, 0.0017995100000000, 0.0050158100000000 ] - [ 0.0014114900000000, -0.0002670000000000, 0.0025867200000000 ] - [ -0.0005535100000000, 0.0005984100000000, 0.0001999100000000 ] - [ -0.0002330400000000, -0.0003962200000000, -0.0001160700000000 ] - [ -0.0002010100000000, -0.0005018500000000, 0.0003491000000000 ] - [ -0.0002801100000000, 0.0005038000000000, 0.0005936700000000 ] - [ -0.0002544400000000, 0.0004883200000000, 0.0005786700000000 ] - [ 0.0017534600000000, -0.0009698700000000, -0.0031645500000000 ] - [ -0.0002009800000000, -0.0005085800000000, -0.0006650000000000 ] - [ 0.0001484200000000, 0.0006815400000000, 0.0002096300000000 ] - [ 0.0002779100000000, 0.0006000500000000, -0.0003062900000000 ] - [ 0.0007252800000000, -0.0003248800000000, 0.0000909300000000 ] - [ -0.0031071400000000, 0.0065166500000000, -0.0003474300000000 ] - [ 0.0000421400000000, -0.0007554700000000, -0.0001561300000000 ] - [ -0.0000486000000000, -0.0004322600000000, -0.0004051800000000 ] - [ -0.0028186500000000, 0.0050168900000000, 0.0006576300000000 ] - [ 0.0009624500000000, 0.0014194600000000, 0.0004091200000000 ] - [ 0.0016919300000000, -0.0013455200000000, -0.0042898800000000 ] - [ -0.0002340500000000, -0.0009543700000000, -0.0007926900000000 ] - [ -0.0002781000000000, 0.0003744300000000, 0.0003176800000000 ] - [ -0.0002339300000000, 0.0003775800000000, 0.0000533800000000 ] - [ 0.0001119000000000, 0.0005892600000000, -0.0001267300000000 ] - [ 0.0001311500000000, 0.0005912200000000, -0.0001315900000000 ] - [ -0.0014934100000000, -0.0278472800000000, -0.0012540400000000 ] - [ -0.0000125500000000, -0.0005704700000000, -0.0000528600000000 ] - [ -0.0000257400000000, 0.0004238300000000, -0.0000367300000000 ] - [ -0.0000166400000000, 0.0004227500000000, -0.0000325000000000 ] - [ -0.0003781000000000, 0.0004849800000000, 0.0001740600000000 ] - [ -0.0001223500000000, -0.0003425700000000, 0.0001441700000000 ] - [ 0.0000326700000000, 0.0003088600000000, 0.0000545800000000 ] - [ 0.0002819800000000, 0.0001047800000000, 0.0000737900000000 ] - [ 0.0001777500000000, 0.0002427700000000, 0.0003680900000000 ] - [ 0.0001407500000000, 0.0002485400000000, -0.0001984100000000 ] - [ 0.0000916600000000, -0.0021948600000000, -0.0001637100000000 ] - [ 0.0001733300000000, -0.0022589100000000, -0.0001677800000000 ] - [ -0.0020089500000000, 0.0045695300000000, -0.0010147400000000 ] - [ 0.0001302200000000, -0.0001885300000000, 0.0010318200000000 ] - [ 0.0031239800000000, 0.0067308100000000, 0.0023529900000000 ] - [ 0.0001988900000000, 0.0003883000000000, -0.0007250400000000 ] - [ 0.0002069800000000, -0.0007665600000000, 0.0001752100000000 ] - [ 0.0001374700000000, -0.0005787500000000, 0.0000257100000000 ] - [ 0.0001741400000000, -0.0003835600000000, -0.0007543600000000 ] - [ 0.0000835500000000, -0.0002353900000000, -0.0007916500000000 ] - [ -0.0006594500000000, -0.0000597100000000, -0.0001733500000000 ] - [ -0.0005655600000000, -0.0000200800000000, -0.0002344900000000 ] - [ -0.0000412800000000, 0.0003562900000000, -0.0005593300000000 ] - [ -0.0027926900000000, 0.0073651200000000, -0.0032047100000000 ] - [ 0.0001615400000000, 0.0001110000000000, -0.0003814000000000 ] - [ 0.0002478600000000, 0.0002772500000000, -0.0003515000000000 ] - [ 0.0006377400000000, -0.0000542000000000, 0.0001556900000000 ] - [ 0.0005560700000000, -0.0000529300000000, 0.0002977200000000 ] - [ -0.0004231200000000, -0.0000422300000000, -0.0007524900000000 ] - [ 0.0011496700000000, -0.0004360500000000, -0.0037580400000000 ] - [ -0.0004147300000000, 0.0013997800000000, 0.0028375400000000 ] - [ 0.0003670600000000, 0.0001324800000000, 0.0005789000000000 ] - [ 0.0001982000000000, 0.0002100000000000, 0.0003274100000000 ] - [ 0.0001087600000000, 0.0000789800000000, 0.0003427100000000 ] - [ 0.0005002800000000, 0.0030437000000000, 0.0021922700000000 ] - [ -0.0001753200000000, -0.0001702100000000, 0.0003649200000000 ] - [ 0.0005978600000000, 0.0019317900000000, 0.0004041000000000 ] - [ 0.0001676200000000, 0.0005213800000000, 0.0000844000000000 ] - [ -0.0003458500000000, 0.0004512800000000, 0.0003009400000000 ] - [ -0.0002564500000000, 0.0003381700000000, 0.0003243600000000 ] - [ -0.0000237700000000, -0.0001387000000000, 0.0008483700000000 ] - [ 0.0000900900000000, 0.0001273500000000, 0.0009121300000000 ] - [ 0.0000894700000000, -0.0001086300000000, 0.0001807600000000 ] - [ 0.0000602100000000, -0.0000588700000000, 0.0001019900000000 ] - [ 0.0011515800000000, -0.0006120100000000, -0.0031888000000000 ] - [ 0.0000153300000000, 0.0001959300000000, -0.0005782600000000 ] - [ -0.0003742000000000, 0.0000577700000000, 0.0001896500000000 ] - [ -0.0004213300000000, -0.0000283700000000, 0.0000795500000000 ] - [ -0.0002561200000000, -0.0001028300000000, -0.0001173900000000 ] - [ -0.0000511300000000, -0.0001411000000000, -0.0002662500000000 ] - [ 0.0007561800000000, -0.0003968700000000, 0.0000559700000000 ] - [ 0.0006408600000000, -0.0007824000000000, 0.0002441100000000 ] - [ -0.0001865400000000, 0.0009619600000000, 0.0000843700000000 ] - [ -0.0000100100000000, 0.0010296700000000, 0.0000951900000000 ] - [ -0.0003410600000000, -0.0002289600000000, -0.0002060300000000 ] - [ -0.0005411100000000, 0.0004608600000000, -0.0010695700000000 ] - [ -0.0001911800000000, -0.0009467900000000, -0.0009310700000000 ] - [ -0.0000974300000000, 0.0002003300000000, -0.0005846400000000 ] - [ -0.0023324500000000, -0.0063920200000000, -0.0025565900000000 ] - [ 0.0003011400000000, -0.0010838900000000, 0.0002416600000000 ] - [ -0.0002608200000000, 0.0005743200000000, 0.0005226900000000 ] - [ -0.0002355000000000, 0.0004918100000000, 0.0006377600000000 ] - [ -0.0000571000000000, 0.0005620500000000, -0.0002793600000000 ] - [ -0.0001506700000000, 0.0003683300000000, -0.0003103100000000 ] - [ -0.0014520500000000, 0.0026915300000000, 0.0014538800000000 ] - [ -0.0005994100000000, 0.0000346100000000, -0.0001111700000000 ] - [ 0.0020380700000000, -0.0049884900000000, 0.0013310100000000 ] - [ -0.0000181500000000, -0.0010969200000000, 0.0001506000000000 ] - [ 0.0001161800000000, 0.0015862200000000, -0.0000663800000000 ] - [ -0.0001349900000000, -0.0002139600000000, -0.0002533100000000 ] - [ 0.0004902300000000, 0.0000605100000000, 0.0000742800000000 ] - [ 0.0005284400000000, -0.0000739800000000, 0.0001687200000000 ] - [ -0.0000181200000000, 0.0004404400000000, -0.0000332200000000 ] - [ -0.0000423600000000, 0.0003703100000000, -0.0000484500000000 ] - [ -0.0000617100000000, -0.0009599400000000, 0.0004905800000000 ] - [ -0.0003110400000000, -0.0021009100000000, 0.0008306600000000 ] - [ 0.0002379400000000, -0.0014057300000000, -0.0008404100000000 ] - [ 0.0003343300000000, -0.0000192900000000, -0.0001985200000000 ] - [ -0.0002998900000000, 0.0002935300000000, 0.0007051200000000 ] - [ 0.0002036900000000, 0.0020034600000000, 0.0019373000000000 ] - [ 0.0000339000000000, 0.0007604400000000, 0.0002268200000000 ] - [ 0.0000401500000000, 0.0006969800000000, 0.0003412900000000 ] - [ 0.0015552200000000, -0.0035029800000000, 0.0004208200000000 ] - [ -0.0002473500000000, -0.0003569200000000, -0.0005083100000000 ] - [ 0.0000357400000000, 0.0005640400000000, -0.0000888500000000 ] - [ 0.0000722800000000, 0.0006309900000000, 0.0000415600000000 ] - [ -0.0007257900000000, -0.0005499200000000, -0.0003094600000000 ] - [ -0.0006172100000000, -0.0005014900000000, -0.0004802500000000 ] - [ 0.0008291500000000, 0.0032191400000000, 0.0008158300000000 ] - [ -0.0002290500000000, -0.0006248800000000, 0.0005786000000000 ] - [ 0.0002945700000000, 0.0004407200000000, -0.0007392700000000 ] - [ 0.0001356900000000, 0.0003840000000000, -0.0010624100000000 ] - [ -0.0006712900000000, 0.0000807900000000, 0.0002997100000000 ] - [ -0.0005841400000000, 0.0001210800000000, 0.0001455100000000 ] - [ 0.0005759500000000, 0.0003290600000000, 0.0001886000000000 ] - [ -0.0007571400000000, 0.0008507100000000, 0.0020153600000000 ] - [ -0.0004618000000000, 0.0007289600000000, -0.0003916200000000 ] - [ -0.0005049600000000, 0.0003870900000000, -0.0003295600000000 ] - [ 0.0001232600000000, -0.0002477200000000, 0.0002017300000000 ] - [ 0.0005226200000000, -0.0005310100000000, 0.0010912400000000 ] - [ 0.0000151300000000, 0.0000767100000000, 0.0002285500000000 ] - [ -0.0000287900000000, 0.0000716700000000, 0.0003064500000000 ] - [ -0.0000125700000000, -0.0003676900000000, -0.0001054900000000 ] - [ 0.0000944000000000, -0.0001700800000000, -0.0003328400000000 ] - [ 0.0005428500000000, -0.0004328100000000, -0.0004711400000000 ] - [ 0.0006642400000000, -0.0003100600000000, -0.0002462400000000 ] - [ 0.0003663000000000, -0.0000110800000000, 0.0001600300000000 ] - [ 0.0004848100000000, -0.0000323600000000, -0.0000154000000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000056900000000, -0.0007514900000000, 0.0001117600000000 ] - [ -0.0000503600000000, -0.0007294200000000, 0.0000892700000000 ] - [ 0.0002415400000000, 0.0000873300000000, -0.0007307800000000 ] - [ 0.0002588300000000, 0.0004857300000000, -0.0005855600000000 ] - [ 0.0002464900000000, 0.0004622000000000, 0.0004294000000000 ] - [ -0.0018800300000000, -0.0006590400000000, -0.0041563300000000 ] - [ -0.0013309000000000, 0.0018918600000000, -0.0028398600000000 ] - [ 0.0006350700000000, 0.0010370300000000, -0.0004568000000000 ] - [ -0.0002523700000000, -0.0007355100000000, 0.0010043300000000 ] - [ -0.0002842500000000, -0.0006301800000000, 0.0005415700000000 ] - [ -0.0002716500000000, 0.0006527000000000, 0.0005695700000000 ] - [ -0.0002976400000000, 0.0006681500000000, 0.0005854300000000 ] - [ -0.0012660100000000, -0.0001739900000000, 0.0022710200000000 ] - [ 0.0006891500000000, -0.0006258800000000, -0.0002253400000000 ] - [ 0.0003384900000000, 0.0004500000000000, -0.0011011000000000 ] - [ 0.0002068400000000, 0.0005318000000000, -0.0005843600000000 ] - [ -0.0012758300000000, -0.0008320900000000, 0.0010725300000000 ] - [ 0.0025220400000000, -0.0076040100000000, 0.0014984000000000 ] - [ 0.0000378300000000, -0.0008805100000000, -0.0001000800000000 ] - [ 0.0001283600000000, -0.0012071100000000, 0.0001486000000000 ] - [ 0.0027705800000000, -0.0034062700000000, -0.0004056900000000 ] - [ -0.0010459800000000, 0.0002159500000000, -0.0001522600000000 ] - [ -0.0011393600000000, 0.0002053200000000, 0.0031336300000000 ] - [ 0.0007824400000000, -0.0002023400000000, -0.0003715600000000 ] - [ -0.0000013300000000, 0.0006950400000000, -0.0000310700000000 ] - [ -0.0000440200000000, 0.0006929600000000, 0.0002332100000000 ] - [ 0.0001668000000000, 0.0004798800000000, -0.0001570600000000 ] - [ 0.0001478500000000, 0.0004778500000000, -0.0001534800000000 ] - [ 0.0012687400000000, 0.0269549400000000, 0.0011668500000000 ] - [ -0.0000673100000000, -0.0001638700000000, -0.0000401000000000 ] - [ -0.0000534200000000, 0.0003103800000000, -0.0000554700000000 ] - [ -0.0000624600000000, 0.0003114000000000, -0.0000602200000000 ] - [ 0.0001011500000000, -0.0015544300000000, 0.0001141600000000 ] - [ -0.0001566200000000, -0.0007268400000000, 0.0001412100000000 ] - [ 0.0000464800000000, 0.0004254300000000, 0.0000374900000000 ] - [ -0.0002022100000000, 0.0006300300000000, 0.0000210700000000 ] - [ -0.0000977300000000, -0.0009762400000000, -0.0002721100000000 ] - [ -0.0000615400000000, -0.0009836500000000, 0.0002936300000000 ] - [ 0.0001628700000000, 0.0011254400000000, -0.0001219200000000 ] - [ 0.0001295300000000, 0.0011913000000000, -0.0001169700000000 ] - [ 0.0018089500000000, -0.0040327100000000, 0.0026025000000000 ] - [ -0.0003390200000000, 0.0007248700000000, 0.0005447500000000 ] - [ -0.0028775600000000, -0.0061447900000000, -0.0039377800000000 ] - [ 0.0000075500000000, 0.0001416500000000, -0.0008551900000000 ] - [ -0.0002065400000000, 0.0007668100000000, -0.0001755300000000 ] - [ -0.0001373800000000, 0.0005783300000000, -0.0000258500000000 ] - [ 0.0000354100000000, -0.0001531400000000, -0.0008219500000000 ] - [ 0.0001257200000000, -0.0003006800000000, -0.0007851700000000 ] - [ -0.0003458000000000, 0.0001669800000000, -0.0006444500000000 ] - [ -0.0004416000000000, 0.0001272900000000, -0.0005787900000000 ] - [ 0.0004536200000000, -0.0007567200000000, -0.0001711500000000 ] - [ 0.0031590800000000, -0.0077813100000000, 0.0024673500000000 ] - [ 0.0002510000000000, 0.0002891800000000, -0.0003489800000000 ] - [ 0.0001653000000000, 0.0001240700000000, -0.0003784100000000 ] - [ 0.0003688300000000, -0.0000530200000000, 0.0006587900000000 ] - [ 0.0004508900000000, -0.0000541400000000, 0.0005168900000000 ] - [ -0.0005835300000000, -0.0000646100000000, -0.0000623500000000 ] - [ -0.0021682000000000, 0.0003335300000000, 0.0029617700000000 ] - [ 0.0014267800000000, -0.0013006000000000, -0.0020205200000000 ] - [ 0.0006397700000000, -0.0000251600000000, 0.0002367800000000 ] - [ -0.0001994400000000, -0.0002118900000000, -0.0003288400000000 ] - [ -0.0001114000000000, -0.0000871600000000, -0.0003501600000000 ] - [ -0.0009461800000000, -0.0034743300000000, -0.0014592300000000 ] - [ -0.0002378100000000, -0.0002318400000000, 0.0003648700000000 ] - [ -0.0005976000000000, -0.0019308300000000, -0.0004017200000000 ] - [ -0.0001678600000000, -0.0005222800000000, -0.0000843900000000 ] - [ -0.0000665100000000, -0.0000507500000000, 0.0004296900000000 ] - [ -0.0001566300000000, 0.0000635000000000, 0.0004057500000000 ] - [ -0.0001825700000000, -0.0003931200000000, 0.0007306800000000 ] - [ -0.0002986600000000, -0.0006630800000000, 0.0006654200000000 ] - [ -0.0000895300000000, 0.0001090800000000, -0.0001808500000000 ] - [ -0.0000604700000000, 0.0000593300000000, -0.0001025100000000 ] - [ -0.0010147500000000, 0.0007400300000000, 0.0023221600000000 ] - [ 0.0001190700000000, -0.0000708500000000, -0.0002772100000000 ] - [ -0.0004083500000000, -0.0000048300000000, 0.0000289800000000 ] - [ -0.0003615800000000, 0.0000801900000000, 0.0001387100000000 ] - [ 0.0002347700000000, -0.0010276200000000, -0.0006498000000000 ] - [ 0.0000296600000000, -0.0009896500000000, -0.0004993400000000 ] - [ 0.0003853500000000, 0.0007493400000000, 0.0004318500000000 ] - [ 0.0005088400000000, 0.0011343000000000, 0.0002487800000000 ] - [ 0.0002078400000000, 0.0001702100000000, 0.0006810500000000 ] - [ 0.0000319800000000, 0.0001025800000000, 0.0006706800000000 ] - [ 0.0002367000000000, -0.0008749900000000, 0.0001145600000000 ] - [ 0.0004070100000000, -0.0015368800000000, 0.0010130700000000 ] - [ 0.0001679500000000, 0.0020776500000000, 0.0001682100000000 ] - [ 0.0000771400000000, 0.0009323100000000, -0.0001803900000000 ] - [ 0.0024206500000000, 0.0050537200000000, 0.0030589500000000 ] - [ -0.0001989500000000, -0.0002380800000000, 0.0002612500000000 ] - [ -0.0002305700000000, 0.0004687700000000, 0.0007543900000000 ] - [ -0.0002558100000000, 0.0005512600000000, 0.0006395400000000 ] - [ -0.0000410900000000, 0.0007613300000000, -0.0002243000000000 ] - [ 0.0000537600000000, 0.0009570800000000, -0.0001919900000000 ] - [ 0.0003788900000000, -0.0030815600000000, -0.0013436800000000 ] - [ -0.0005248500000000, -0.0003921100000000, 0.0002822300000000 ] - [ -0.0019140700000000, 0.0038704800000000, -0.0012339800000000 ] - [ 0.0001234800000000, -0.0000092700000000, -0.0000593600000000 ] - [ -0.0001727400000000, -0.0029329800000000, -0.0003850800000000 ] - [ 0.0000381400000000, -0.0011120200000000, -0.0002491700000000 ] - [ 0.0006536400000000, -0.0004126000000000, 0.0004104100000000 ] - [ 0.0006157900000000, -0.0002783300000000, 0.0003160700000000 ] - [ -0.0000863500000000, 0.0006652900000000, -0.0000578600000000 ] - [ -0.0000624000000000, 0.0007347800000000, -0.0000425700000000 ] - [ 0.0000836700000000, -0.0001696300000000, 0.0002753600000000 ] - [ 0.0003316700000000, 0.0009684300000000, -0.0000603100000000 ] - [ 0.0005655800000000, 0.0013765400000000, 0.0006233100000000 ] - [ 0.0004487800000000, -0.0000313400000000, -0.0000193600000000 ] - [ 0.0001670500000000, -0.0004182200000000, 0.0001507000000000 ] - [ -0.0003559900000000, -0.0021064300000000, -0.0011162000000000 ] - [ 0.0000628000000000, 0.0005661900000000, 0.0002752500000000 ] - [ 0.0000570500000000, 0.0006289500000000, 0.0001607700000000 ] - [ -0.0010590000000000, 0.0024458500000000, -0.0016954300000000 ] - [ 0.0007403700000000, -0.0006862600000000, -0.0007696000000000 ] - [ 0.0000694200000000, 0.0005417400000000, 0.0001803000000000 ] - [ 0.0000329500000000, 0.0004745700000000, 0.0000504100000000 ] - [ -0.0004172600000000, 0.0002009000000000, -0.0001721700000000 ] - [ -0.0005238900000000, 0.0001561100000000, 0.0000019600000000 ] - [ -0.0010951800000000, -0.0039484500000000, 0.0004488600000000 ] - [ -0.0002617400000000, -0.0004141000000000, 0.0006997500000000 ] - [ 0.0001968600000000, 0.0006007200000000, -0.0005382400000000 ] - [ 0.0003551800000000, 0.0006578500000000, -0.0002123700000000 ] - [ -0.0004530800000000, 0.0002762800000000, -0.0001294000000000 ] - [ -0.0005405000000000, 0.0002357600000000, 0.0000255200000000 ] - [ 0.0005488900000000, 0.0000279900000000, -0.0003594000000000 ] - [ 0.0018873600000000, -0.0004978900000000, -0.0021944500000000 ] - [ -0.0006818700000000, -0.0003775800000000, -0.0000910200000000 ] - [ -0.0006380700000000, -0.0000361000000000, -0.0001533000000000 ] - [ -0.0009060500000000, 0.0001930600000000, 0.0000162500000000 ] - [ -0.0014474200000000, 0.0002884700000000, -0.0008614100000000 ] - [ -0.0001483900000000, 0.0000490100000000, 0.0006272700000000 ] - [ -0.0001042400000000, 0.0000548300000000, 0.0005494200000000 ] - [ 0.0001452700000000, 0.0002414500000000, -0.0007506500000000 ] - [ 0.0000389700000000, 0.0000438600000000, -0.0005222600000000 ] - [ 0.0005801700000000, 0.0000745600000000, 0.0003041800000000 ] - [ 0.0004616000000000, -0.0000460800000000, 0.0000733700000000 ] - [ 0.0004168200000000, 0.0000652200000000, -0.0003778200000000 ] - [ 0.0002987600000000, 0.0000838700000000, -0.0002018800000000 ]- atom: 29 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0002209800000000, -0.0009104800000000, 0.0011394700000000 ] - [ 0.0000850700000000, -0.0009199100000000, 0.0009241600000000 ] - [ 0.0002460300000000, 0.0013202700000000, 0.0003933500000000 ] - [ 0.0003652300000000, 0.0005523400000000, -0.0002550200000000 ] - [ -0.0015646200000000, 0.0010217700000000, 0.0000677700000000 ] - [ 0.0026471500000000, 0.0041597400000000, 0.0022043200000000 ] - [ 0.0029206400000000, 0.0025852400000000, 0.0011674800000000 ] - [ -0.0013748400000000, 0.0010770500000000, 0.0001933000000000 ] - [ -0.0000143500000000, -0.0007009500000000, 0.0011938600000000 ] - [ -0.0005675700000000, -0.0006187700000000, 0.0008685300000000 ] - [ -0.0000518200000000, 0.0007724700000000, 0.0014212000000000 ] - [ -0.0004491600000000, 0.0006604200000000, 0.0016028700000000 ] - [ -0.0020098700000000, -0.0039248900000000, 0.0024946200000000 ] - [ 0.0008024200000000, -0.0008748800000000, -0.0006261600000000 ] - [ 0.0000207000000000, 0.0007219900000000, 0.0008793700000000 ] - [ 0.0003265600000000, 0.0005948900000000, -0.0001907100000000 ] - [ -0.0007425500000000, -0.0005270700000000, -0.0001518300000000 ] - [ 0.0004136700000000, -0.0008473200000000, -0.0027896800000000 ] - [ -0.0002406200000000, -0.0008584700000000, 0.0004148000000000 ] - [ 0.0003821700000000, -0.0011977500000000, 0.0006537500000000 ] - [ -0.0000533000000000, 0.0020512500000000, -0.0025895400000000 ] - [ -0.0005156500000000, 0.0006646000000000, -0.0008366300000000 ] - [ -0.0020314100000000, -0.0044574900000000, 0.0052179100000000 ] - [ 0.0007683000000000, -0.0005259100000000, -0.0007461600000000 ] - [ -0.0005616400000000, 0.0003690500000000, 0.0008389200000000 ] - [ 0.0001310800000000, 0.0006354600000000, 0.0005764100000000 ] - [ 0.0001506400000000, 0.0005294200000000, 0.0002303500000000 ] - [ 0.0001436800000000, 0.0005354900000000, 0.0002315400000000 ] - [ 0.0110940300000000, -0.0009377600000000, -0.0262131400000000 ] - [ -0.0002441100000000, -0.0003830900000000, -0.0004928000000000 ] - [ -0.0001563400000000, 0.0003633100000000, 0.0003742800000000 ] - [ 0.0000630200000000, 0.0003624800000000, 0.0002891900000000 ] - [ 0.0002590100000000, -0.0004236400000000, -0.0000416100000000 ] - [ -0.0002737800000000, -0.0005332100000000, 0.0000117100000000 ] - [ -0.0000123100000000, 0.0003778600000000, 0.0003307700000000 ] - [ 0.0002381000000000, 0.0003075600000000, 0.0008830300000000 ] - [ 0.0002114000000000, -0.0006191200000000, -0.0002559500000000 ] - [ -0.0003765900000000, -0.0001009600000000, 0.0000004600000000 ] - [ -0.0020534300000000, -0.0005251300000000, -0.0019723400000000 ] - [ -0.0020820600000000, -0.0005459600000000, -0.0020848400000000 ] - [ 0.0006943600000000, -0.0022785700000000, 0.0028010700000000 ] - [ -0.0000255800000000, 0.0003436700000000, 0.0008295600000000 ] - [ -0.0006325100000000, -0.0007167100000000, -0.0005672500000000 ] - [ -0.0001979100000000, -0.0003664100000000, -0.0009934100000000 ] - [ 0.0000069600000000, 0.0000172100000000, -0.0001969500000000 ] - [ 0.0000500600000000, -0.0002110300000000, -0.0000905000000000 ] - [ 0.0003337700000000, -0.0006586500000000, -0.0007289600000000 ] - [ 0.0003262800000000, -0.0007212100000000, -0.0006895900000000 ] - [ -0.0008375900000000, -0.0000727000000000, 0.0001808500000000 ] - [ -0.0008215500000000, -0.0001019300000000, 0.0003254300000000 ] - [ 0.0000148200000000, 0.0003411600000000, -0.0004887500000000 ] - [ 0.0006688400000000, -0.0017594900000000, 0.0007567200000000 ] - [ 0.0003863700000000, 0.0005226300000000, -0.0003009500000000 ] - [ 0.0004772000000000, 0.0006439500000000, -0.0003222200000000 ] - [ -0.0000664000000000, -0.0002333000000000, 0.0015124500000000 ] - [ 0.0003149200000000, -0.0001246100000000, 0.0007633000000000 ] - [ -0.0005671300000000, -0.0000012800000000, -0.0000666900000000 ] - [ -0.0010511400000000, 0.0000188400000000, 0.0029378000000000 ] - [ -0.0024733000000000, 0.0010090700000000, 0.0072508500000000 ] - [ 0.0008234700000000, -0.0000511900000000, -0.0002798600000000 ] - [ -0.0001304300000000, -0.0002419000000000, -0.0003778800000000 ] - [ -0.0001322600000000, -0.0003879500000000, -0.0002464900000000 ] - [ 0.0028319700000000, 0.0066370500000000, 0.0037661900000000 ] - [ -0.0002663900000000, -0.0002615400000000, 0.0004716600000000 ] - [ -0.0000229300000000, -0.0000244800000000, 0.0000083100000000 ] - [ -0.0000281300000000, -0.0001277300000000, 0.0000313500000000 ] - [ 0.0001324600000000, -0.0003624800000000, 0.0004206100000000 ] - [ -0.0000662700000000, -0.0001312700000000, 0.0004163700000000 ] - [ 0.0001069400000000, 0.0000556500000000, 0.0008546100000000 ] - [ 0.0001837400000000, 0.0003846500000000, 0.0009913900000000 ] - [ 0.0004468500000000, -0.0011606900000000, 0.0009862400000000 ] - [ 0.0001939800000000, -0.0003887300000000, 0.0003481400000000 ] - [ 0.0025848900000000, -0.0008204000000000, -0.0061890700000000 ] - [ -0.0005214100000000, 0.0000565100000000, -0.0001862200000000 ] - [ -0.0005124200000000, -0.0000968900000000, -0.0003715800000000 ] - [ -0.0005184200000000, -0.0001851400000000, -0.0004099400000000 ] - [ 0.0002816400000000, -0.0005712500000000, -0.0010405000000000 ] - [ -0.0002144700000000, -0.0004641500000000, -0.0006100100000000 ] - [ 0.0007449000000000, 0.0001087700000000, 0.0008141500000000 ] - [ 0.0004170600000000, 0.0000189500000000, 0.0010458900000000 ] - [ -0.0002048600000000, 0.0006460200000000, 0.0000408600000000 ] - [ 0.0002773000000000, 0.0005396300000000, -0.0000402300000000 ] - [ -0.0002216200000000, -0.0006526600000000, 0.0004146700000000 ] - [ -0.0010081800000000, -0.0027919300000000, 0.0007604800000000 ] - [ 0.0000952500000000, 0.0002580500000000, -0.0001155500000000 ] - [ 0.0002370700000000, 0.0005482100000000, -0.0001952600000000 ] - [ 0.0007662400000000, 0.0006932200000000, 0.0014314400000000 ] - [ 0.0004593600000000, -0.0005475000000000, 0.0007978300000000 ] - [ -0.0002627800000000, 0.0007074000000000, 0.0000553000000000 ] - [ -0.0004644400000000, 0.0007311300000000, 0.0001949800000000 ] - [ -0.0000046900000000, 0.0005666300000000, -0.0006396900000000 ] - [ -0.0003546200000000, 0.0003771400000000, -0.0006958700000000 ] - [ -0.0027577500000000, 0.0004877200000000, 0.0044097400000000 ] - [ -0.0004807300000000, -0.0002337900000000, 0.0007744300000000 ] - [ -0.0006309200000000, 0.0004846400000000, 0.0000664500000000 ] - [ 0.0003097600000000, -0.0008026700000000, 0.0004478400000000 ] - [ -0.0004996300000000, -0.0011759300000000, 0.0027438500000000 ] - [ 0.0003255800000000, -0.0004834100000000, -0.0000512600000000 ] - [ 0.0003161500000000, 0.0004800800000000, -0.0007882500000000 ] - [ 0.0005753300000000, -0.0000115100000000, -0.0002341200000000 ] - [ -0.0001286300000000, 0.0007068300000000, -0.0003518200000000 ] - [ -0.0002659900000000, 0.0007719100000000, -0.0005121300000000 ] - [ 0.0000052700000000, -0.0004202700000000, 0.0004481500000000 ] - [ -0.0004470200000000, -0.0003241900000000, 0.0004404400000000 ] - [ -0.0020899900000000, -0.0041302900000000, -0.0015293200000000 ] - [ 0.0006188500000000, -0.0001302200000000, 0.0000658700000000 ] - [ 0.0006596400000000, 0.0001281800000000, 0.0005018500000000 ] - [ -0.0008614600000000, 0.0002609800000000, 0.0009717400000000 ] - [ 0.0000147100000000, 0.0007944600000000, -0.0001748900000000 ] - [ -0.0000663000000000, 0.0008071200000000, -0.0002545400000000 ] - [ -0.0009790500000000, 0.0022453000000000, -0.0018157500000000 ] - [ 0.0006358100000000, -0.0003981600000000, -0.0005487100000000 ] - [ 0.0000756900000000, 0.0004080300000000, -0.0006251200000000 ] - [ -0.0001150200000000, 0.0004357900000000, -0.0002975800000000 ] - [ -0.0001534700000000, 0.0003289900000000, -0.0002712700000000 ] - [ -0.0006363600000000, 0.0002701300000000, -0.0001356000000000 ] - [ -0.0018390000000000, -0.0013912900000000, 0.0030567600000000 ] - [ 0.0001041400000000, -0.0002983800000000, 0.0013377600000000 ] - [ 0.0003770700000000, 0.0003173300000000, -0.0010432600000000 ] - [ -0.0000710200000000, 0.0001396500000000, -0.0012642900000000 ] - [ -0.0001908900000000, 0.0002099300000000, -0.0008472300000000 ] - [ -0.0006186300000000, 0.0001835100000000, -0.0003127100000000 ] - [ 0.0007659100000000, 0.0002787000000000, -0.0003587400000000 ] - [ 0.0004251900000000, 0.0003185900000000, -0.0011782500000000 ] - [ -0.0009988900000000, 0.0005438400000000, -0.0015629100000000 ] - [ -0.0005105200000000, 0.0004344500000000, -0.0006251100000000 ] - [ -0.0001136800000000, -0.0003062300000000, 0.0008906600000000 ] - [ -0.0012767900000000, 0.0003856600000000, 0.0027929300000000 ] - [ -0.0000608200000000, 0.0001237400000000, -0.0000827300000000 ] - [ 0.0001330200000000, 0.0001678200000000, -0.0002178300000000 ] - [ 0.0002831100000000, 0.0002623100000000, -0.0013511000000000 ] - [ 0.0001526300000000, 0.0000334600000000, -0.0006632600000000 ] - [ 0.0004598400000000, -0.0002173200000000, -0.0005859000000000 ] - [ 0.0010218800000000, -0.0002257800000000, -0.0006274800000000 ] - [ 0.0004563300000000, 0.0004424800000000, -0.0008966800000000 ] - [ 0.0001555000000000, 0.0001561200000000, -0.0004627400000000 ]- atom: 29 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ 0.0001421900000000, -0.0007251900000000, -0.0008826900000000 ] - [ -0.0001649700000000, -0.0007160000000000, -0.0006689400000000 ] - [ 0.0003057600000000, -0.0001653700000000, -0.0015570500000000 ] - [ 0.0001869400000000, 0.0006035900000000, -0.0009087800000000 ] - [ 0.0010806200000000, 0.0001093100000000, 0.0008239100000000 ] - [ -0.0031494900000000, -0.0030472500000000, -0.0013150000000000 ] - [ -0.0028228100000000, -0.0009412300000000, -0.0014275800000000 ] - [ 0.0014511500000000, 0.0005607800000000, -0.0004514600000000 ] - [ -0.0004694400000000, -0.0004319300000000, -0.0003073200000000 ] - [ 0.0000810100000000, -0.0005142600000000, 0.0000205100000000 ] - [ -0.0004991100000000, 0.0003851300000000, -0.0002572500000000 ] - [ -0.0001041400000000, 0.0004965300000000, -0.0004388200000000 ] - [ 0.0025198100000000, 0.0028238700000000, -0.0034152600000000 ] - [ -0.0003146000000000, -0.0002571200000000, -0.0002633300000000 ] - [ 0.0004654900000000, 0.0004112700000000, -0.0017704200000000 ] - [ 0.0001577800000000, 0.0005371800000000, -0.0007018800000000 ] - [ 0.0001866100000000, -0.0006292100000000, 0.0013187700000000 ] - [ -0.0009554400000000, -0.0003265100000000, 0.0039557400000000 ] - [ 0.0003210300000000, -0.0007767000000000, -0.0006702600000000 ] - [ -0.0003039900000000, -0.0004384500000000, -0.0009091000000000 ] - [ -0.0000351700000000, -0.0004102000000000, 0.0028551700000000 ] - [ 0.0004393900000000, 0.0009719000000000, 0.0010928100000000 ] - [ 0.0025601500000000, 0.0032482900000000, -0.0063180200000000 ] - [ -0.0002207200000000, -0.0006312200000000, -0.0004205500000000 ] - [ 0.0002837500000000, 0.0007006900000000, -0.0005550200000000 ] - [ -0.0004098300000000, 0.0004338700000000, -0.0002912500000000 ] - [ 0.0001284100000000, 0.0005397200000000, -0.0005161000000000 ] - [ 0.0001348700000000, 0.0005335300000000, -0.0005174300000000 ] - [ -0.0113234900000000, 0.0003750100000000, 0.0262809400000000 ] - [ 0.0001641200000000, -0.0003512700000000, 0.0003993400000000 ] - [ 0.0000771700000000, 0.0003707500000000, -0.0004667600000000 ] - [ -0.0001423100000000, 0.0003716900000000, -0.0003824500000000 ] - [ -0.0005352900000000, -0.0006449100000000, 0.0003233800000000 ] - [ -0.0000054900000000, -0.0005365800000000, 0.0002721400000000 ] - [ 0.0000919300000000, 0.0003564400000000, -0.0002383200000000 ] - [ -0.0001599600000000, 0.0004270200000000, -0.0007918200000000 ] - [ -0.0001331700000000, -0.0001157700000000, 0.0003482200000000 ] - [ 0.0004565300000000, -0.0006327500000000, 0.0000903000000000 ] - [ 0.0023209300000000, -0.0005441100000000, 0.0016993500000000 ] - [ 0.0023710100000000, -0.0005238200000000, 0.0017858100000000 ] - [ -0.0008999700000000, 0.0028213900000000, -0.0012149500000000 ] - [ -0.0001824000000000, 0.0001920600000000, 0.0007472300000000 ] - [ 0.0008363700000000, 0.0012374800000000, -0.0010248500000000 ] - [ 0.0004059200000000, 0.0009008400000000, -0.0005840600000000 ] - [ -0.0000073900000000, -0.0000141200000000, 0.0001949400000000 ] - [ -0.0000498100000000, 0.0002105500000000, 0.0000900300000000 ] - [ -0.0001243900000000, 0.0001219700000000, -0.0008478500000000 ] - [ -0.0001177500000000, 0.0001863000000000, -0.0008880900000000 ] - [ -0.0001669500000000, 0.0001800100000000, -0.0010004600000000 ] - [ -0.0001853600000000, 0.0002091100000000, -0.0011397600000000 ] - [ 0.0003980300000000, -0.0007424000000000, -0.0002420100000000 ] - [ -0.0002695500000000, 0.0013786200000000, -0.0014968200000000 ] - [ 0.0000260100000000, -0.0001225800000000, -0.0004300700000000 ] - [ -0.0000652100000000, -0.0002446600000000, -0.0004089500000000 ] - [ 0.0010719100000000, 0.0001263600000000, -0.0006964300000000 ] - [ 0.0006925500000000, 0.0000177300000000, 0.0000494900000000 ] - [ -0.0004398900000000, -0.0001058500000000, -0.0007490600000000 ] - [ 0.0000060200000000, -0.0001088600000000, -0.0037270900000000 ] - [ 0.0035302600000000, -0.0009360000000000, -0.0064901400000000 ] - [ 0.0001819800000000, 0.0001589000000000, 0.0010974500000000 ] - [ 0.0001324200000000, 0.0002458900000000, 0.0003828900000000 ] - [ 0.0001323600000000, 0.0003888500000000, 0.0002456200000000 ] - [ -0.0032779600000000, -0.0070261000000000, -0.0030131500000000 ] - [ -0.0001469500000000, -0.0001404300000000, 0.0002577700000000 ] - [ 0.0000239300000000, 0.0000265600000000, -0.0000087600000000 ] - [ 0.0000279500000000, 0.0001277900000000, -0.0000322500000000 ] - [ -0.0005461700000000, 0.0007654200000000, 0.0003088500000000 ] - [ -0.0003464200000000, 0.0005323600000000, 0.0003135300000000 ] - [ -0.0003137900000000, -0.0005876900000000, 0.0007235200000000 ] - [ -0.0003916700000000, -0.0009195300000000, 0.0005855100000000 ] - [ -0.0004450700000000, 0.0011551400000000, -0.0009832500000000 ] - [ -0.0001949100000000, 0.0003902200000000, -0.0003502900000000 ] - [ -0.0024638400000000, 0.0009535100000000, 0.0053473100000000 ] - [ 0.0006562500000000, 0.0000691400000000, -0.0006718000000000 ] - [ -0.0002709100000000, 0.0001493400000000, 0.0005887300000000 ] - [ -0.0002640400000000, 0.0002371800000000, 0.0006276200000000 ] - [ -0.0003001400000000, -0.0005625500000000, 0.0002697300000000 ] - [ 0.0001925200000000, -0.0006675500000000, -0.0001553800000000 ] - [ 0.0003988100000000, 0.0002413700000000, -0.0003354100000000 ] - [ 0.0007273400000000, 0.0003358100000000, -0.0005641700000000 ] - [ 0.0002254400000000, 0.0004872500000000, 0.0007246800000000 ] - [ -0.0002544900000000, 0.0005914700000000, 0.0008055400000000 ] - [ 0.0001178200000000, -0.0004526300000000, -0.0005058700000000 ] - [ 0.0007561100000000, 0.0017884100000000, -0.0006834100000000 ] - [ -0.0001180500000000, 0.0008737200000000, -0.0006529700000000 ] - [ -0.0002587900000000, 0.0005855500000000, -0.0005714000000000 ] - [ -0.0006613600000000, -0.0020028800000000, -0.0009151500000000 ] - [ -0.0003614000000000, -0.0007767200000000, -0.0002931900000000 ] - [ -0.0002291500000000, 0.0003361800000000, 0.0012203600000000 ] - [ -0.0000272700000000, 0.0003121200000000, 0.0010815900000000 ] - [ -0.0000942000000000, 0.0007556700000000, 0.0001342100000000 ] - [ 0.0002572200000000, 0.0009468900000000, 0.0001918400000000 ] - [ 0.0019002100000000, -0.0010340200000000, -0.0045458800000000 ] - [ -0.0006444100000000, -0.0001231900000000, -0.0006063600000000 ] - [ 0.0007453100000000, -0.0016039400000000, 0.0000324100000000 ] - [ -0.0002048400000000, -0.0003025800000000, -0.0003562800000000 ] - [ 0.0004582400000000, -0.0001884700000000, -0.0031793000000000 ] - [ -0.0004222800000000, -0.0008398200000000, -0.0004520200000000 ] - [ 0.0008261800000000, -0.0008294000000000, 0.0012696300000000 ] - [ 0.0005697600000000, -0.0003422900000000, 0.0007199600000000 ] - [ 0.0000235100000000, 0.0003991500000000, 0.0002591000000000 ] - [ 0.0001622000000000, 0.0003323200000000, 0.0004202700000000 ] - [ 0.0000162500000000, -0.0007115500000000, 0.0003160100000000 ] - [ 0.0004705200000000, -0.0008117400000000, 0.0003229900000000 ] - [ 0.0028772100000000, 0.0040715800000000, 0.0013055700000000 ] - [ 0.0001653700000000, 0.0000789500000000, -0.0002825500000000 ] - [ -0.0007948000000000, -0.0002548700000000, 0.0003525700000000 ] - [ 0.0006997000000000, -0.0003679600000000, -0.0001643800000000 ] - [ 0.0000822800000000, 0.0005305000000000, 0.0006769700000000 ] - [ 0.0001645400000000, 0.0005169000000000, 0.0007576500000000 ] - [ 0.0014758800000000, -0.0033000900000000, 0.0005392200000000 ] - [ -0.0001419300000000, -0.0006442600000000, -0.0007264900000000 ] - [ 0.0000301500000000, 0.0006992800000000, 0.0007173700000000 ] - [ 0.0002200600000000, 0.0006703900000000, 0.0003888100000000 ] - [ -0.0009931700000000, -0.0006861600000000, -0.0002156600000000 ] - [ -0.0005068800000000, -0.0006223600000000, -0.0003499100000000 ] - [ 0.0013545400000000, 0.0003589900000000, -0.0017817400000000 ] - [ -0.0005959400000000, -0.0007454600000000, -0.0000612900000000 ] - [ 0.0001137400000000, 0.0007258500000000, -0.0002345200000000 ] - [ 0.0005628700000000, 0.0009032100000000, -0.0000125800000000 ] - [ -0.0009330300000000, 0.0001470500000000, 0.0010160700000000 ] - [ -0.0005067300000000, 0.0001731900000000, 0.0004840800000000 ] - [ 0.0003580700000000, 0.0000780400000000, 0.0001867800000000 ] - [ 0.0007234500000000, 0.0000284400000000, 0.0009834400000000 ] - [ -0.0001483900000000, -0.0001917500000000, 0.0010715600000000 ] - [ -0.0006321600000000, -0.0000830000000000, 0.0001421900000000 ] - [ -0.0006683300000000, 0.0002541700000000, -0.0006747200000000 ] - [ 0.0004824900000000, -0.0004551600000000, -0.0025708100000000 ] - [ -0.0000735600000000, 0.0000014100000000, 0.0009394600000000 ] - [ -0.0002661100000000, -0.0000415600000000, 0.0010742100000000 ] - [ -0.0001513600000000, -0.0003847900000000, 0.0004935900000000 ] - [ -0.0000192700000000, -0.0001598900000000, -0.0001915300000000 ] - [ 0.0006624200000000, -0.0001415500000000, 0.0004201900000000 ] - [ 0.0001040500000000, -0.0001308300000000, 0.0004552200000000 ] - [ 0.0003268800000000, -0.0003908000000000, 0.0006809500000000 ] - [ 0.0006281200000000, -0.0001053000000000, 0.0002447800000000 ]- atom: 41 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0002735200000000, -0.0003199800000000, 0.0002269100000000 ] - [ 0.0004257700000000, -0.0007251400000000, 0.0006971700000000 ] - [ 0.0003056600000000, 0.0007651600000000, -0.0001760000000000 ] - [ 0.0003022000000000, 0.0004215200000000, -0.0000332800000000 ] - [ -0.0006634100000000, 0.0008194800000000, 0.0003176700000000 ] - [ 0.0001699500000000, 0.0008186300000000, 0.0010098300000000 ] - [ -0.0007215600000000, -0.0055545200000000, -0.0041710500000000 ] - [ 0.0001604200000000, 0.0008975300000000, -0.0005862000000000 ] - [ -0.0009669900000000, -0.0003448400000000, 0.0069042400000000 ] - [ -0.0001057200000000, -0.0003070100000000, 0.0003815700000000 ] - [ -0.0006346800000000, 0.0004846200000000, 0.0007029300000000 ] - [ -0.0001057700000000, 0.0006129100000000, 0.0006977300000000 ] - [ 0.0002412300000000, -0.0011040700000000, 0.0001361200000000 ] - [ 0.0002484900000000, -0.0006065800000000, -0.0002563300000000 ] - [ 0.0001468300000000, -0.0004181100000000, -0.0009426400000000 ] - [ 0.0005685500000000, 0.0002249500000000, -0.0008714700000000 ] - [ -0.0004015200000000, -0.0011914700000000, 0.0006430700000000 ] - [ -0.0001089800000000, -0.0007668600000000, 0.0007364900000000 ] - [ -0.0000679600000000, -0.0009110000000000, 0.0001825700000000 ] - [ 0.0001404300000000, -0.0008554400000000, 0.0002418900000000 ] - [ -0.0045523100000000, 0.0042587700000000, -0.0026717000000000 ] - [ 0.0004674800000000, 0.0008326900000000, 0.0000136100000000 ] - [ 0.0099457000000000, 0.0011182600000000, -0.0054507500000000 ] - [ 0.0101295600000000, 0.0046354500000000, 0.0002440800000000 ] - [ -0.0002405900000000, 0.0005106900000000, 0.0003977700000000 ] - [ -0.0000461300000000, 0.0005905400000000, 0.0003815100000000 ] - [ 0.0000080600000000, 0.0003758400000000, 0.0001455100000000 ] - [ 0.0002575100000000, 0.0004677100000000, 0.0000433900000000 ] - [ 0.0026329900000000, -0.0022518000000000, 0.0017650000000000 ] - [ -0.0002229100000000, -0.0001302000000000, -0.0000301500000000 ] - [ -0.0001414000000000, 0.0002873600000000, 0.0001396200000000 ] - [ 0.0000853600000000, 0.0001723900000000, 0.0003061000000000 ] - [ -0.0027366500000000, -0.0036894400000000, -0.0006794800000000 ] - [ 0.0000148500000000, -0.0007939600000000, -0.0000298100000000 ] - [ -0.0000657600000000, 0.0004363500000000, 0.0002506700000000 ] - [ 0.0001550600000000, 0.0003457000000000, 0.0003253900000000 ] - [ 0.0026247000000000, -0.0034027100000000, 0.0002278200000000 ] - [ -0.0000678100000000, -0.0004628000000000, -0.0003135100000000 ] - [ -0.0025451000000000, -0.0014573200000000, 0.0023678600000000 ] - [ 0.0003732100000000, -0.0005599700000000, -0.0001140000000000 ] - [ -0.3471857600000000, 0.3998041400000000, -0.2027070500000000 ] - [ -0.0000054700000000, -0.0003291700000000, 0.0011289700000000 ] - [ -0.0020088600000000, -0.0024033200000000, -0.0023382400000000 ] - [ 0.0000357000000000, 0.0001753600000000, -0.0008135900000000 ] - [ 0.0001291000000000, -0.0002062100000000, 0.0001811900000000 ] - [ -0.0014628000000000, 0.0040686700000000, -0.0009180800000000 ] - [ 0.0001686100000000, -0.0003399400000000, -0.0007869700000000 ] - [ 0.0001470000000000, -0.0003842900000000, -0.0007627400000000 ] - [ -0.0007221900000000, 0.0007250800000000, 0.0001032800000000 ] - [ -0.0003986600000000, 0.0001076900000000, -0.0006625600000000 ] - [ 0.0002692600000000, 0.0006207100000000, -0.0010142200000000 ] - [ -0.0001180700000000, 0.0018896300000000, -0.0007557200000000 ] - [ 0.0010610500000000, 0.0016601100000000, -0.0002055600000000 ] - [ 0.0003600700000000, 0.0005316000000000, -0.0002778400000000 ] - [ 0.0004477600000000, -0.0002423100000000, 0.0019969500000000 ] - [ 0.0004533800000000, -0.0000058000000000, 0.0003118800000000 ] - [ -0.0007023400000000, 0.0000869900000000, 0.0001058100000000 ] - [ -0.0007124800000000, 0.0000193200000000, -0.0000870500000000 ] - [ -0.0006797700000000, 0.0004151600000000, 0.0019245100000000 ] - [ 0.0003894900000000, 0.0000778300000000, 0.0005649200000000 ] - [ 0.0000918200000000, 0.0001049600000000, 0.0000424100000000 ] - [ 0.0000844700000000, 0.0002316600000000, 0.0002346000000000 ] - [ -0.0005214900000000, -0.0006260400000000, 0.0001787400000000 ] - [ -0.0006650700000000, -0.0022546500000000, -0.0005766800000000 ] - [ -0.0000068200000000, -0.0002555000000000, 0.0000397700000000 ] - [ -0.0000346800000000, -0.0001416300000000, -0.0000551700000000 ] - [ -0.0000810000000000, -0.0000171400000000, 0.0004041800000000 ] - [ -0.0000904600000000, 0.0000018800000000, 0.0003919700000000 ] - [ -0.0000113700000000, -0.0001338700000000, 0.0008155700000000 ] - [ 0.0000521600000000, 0.0000746300000000, 0.0008782100000000 ] - [ -0.0015441700000000, 0.0031893200000000, -0.0031225800000000 ] - [ 0.0000697700000000, -0.0001813600000000, 0.0000604600000000 ] - [ 0.0010134200000000, -0.0003063400000000, -0.0020728600000000 ] - [ 0.0000165100000000, 0.0000276900000000, -0.0006444800000000 ] - [ -0.0002669300000000, -0.0006495900000000, -0.0016984900000000 ] - [ -0.0005539500000000, -0.0001148900000000, -0.0001144900000000 ] - [ -0.0003232000000000, -0.0005799600000000, 0.0001886500000000 ] - [ -0.0004376300000000, -0.0037328300000000, -0.0016714500000000 ] - [ 0.0007336500000000, 0.0002583100000000, 0.0001104600000000 ] - [ 0.0004078300000000, 0.0000197200000000, 0.0000577100000000 ] - [ 0.0012084000000000, -0.0015287000000000, 0.0018719300000000 ] - [ -0.0000858800000000, 0.0006638900000000, 0.0004812700000000 ] - [ 0.0025633100000000, 0.0008949300000000, 0.0007026800000000 ] - [ -0.0002403300000000, 0.0000661500000000, 0.0000662500000000 ] - [ 0.0002613300000000, 0.0007453100000000, -0.0001389200000000 ] - [ 0.0000405600000000, 0.0006322600000000, -0.0004132100000000 ] - [ 0.0009251800000000, 0.0025104900000000, 0.0022029300000000 ] - [ -0.0000479200000000, -0.0005511600000000, 0.0003284800000000 ] - [ -0.0002095900000000, 0.0006311800000000, 0.0005881800000000 ] - [ -0.0003269600000000, 0.0006157300000000, 0.0004958100000000 ] - [ -0.0000040900000000, 0.0006346400000000, -0.0004620000000000 ] - [ -0.0002155200000000, 0.0005512700000000, -0.0005404500000000 ] - [ -0.0004350000000000, -0.0007879600000000, -0.0025851200000000 ] - [ -0.0005378000000000, -0.0002429900000000, -0.0000286700000000 ] - [ 0.0012478000000000, -0.0017993600000000, 0.0010076800000000 ] - [ -0.0003046100000000, -0.0011378400000000, 0.0010717100000000 ] - [ 0.1660707200000000, -0.1950249700000000, 0.1087513700000000 ] - [ -0.0006343600000000, -0.0005712100000000, -0.0000878600000000 ] - [ 0.0018331600000000, -0.0026726400000000, 0.0015511900000000 ] - [ 0.0003763700000000, -0.0002531600000000, 0.0002063500000000 ] - [ -0.0000572900000000, 0.0006858900000000, -0.0002594600000000 ] - [ -0.0001525300000000, 0.0006546900000000, -0.0002175300000000 ] - [ 0.0000449600000000, -0.0004611100000000, 0.0003115000000000 ] - [ -0.0000552600000000, -0.0003064400000000, 0.0001960000000000 ] - [ 0.0001938300000000, 0.0007709200000000, 0.0001617400000000 ] - [ 0.0008663700000000, 0.0017759900000000, 0.0007876000000000 ] - [ 0.0003612900000000, 0.0000503000000000, -0.0000425700000000 ] - [ -0.0001510900000000, -0.0000206400000000, 0.0000958000000000 ] - [ 0.0000785600000000, 0.0006631100000000, 0.0001338200000000 ] - [ -0.0000892500000000, 0.0006390200000000, 0.0000508500000000 ] - [ 0.1649203400000000, -0.2066090600000000, 0.0950235000000000 ] - [ -0.0003232200000000, -0.0005425500000000, -0.0006456600000000 ] - [ -0.0000203200000000, 0.0003889200000000, -0.0001680200000000 ] - [ -0.0003925600000000, -0.0002775800000000, -0.0002576500000000 ] - [ -0.0005214800000000, -0.0001086200000000, -0.0003602500000000 ] - [ -0.0006486600000000, -0.0002416600000000, -0.0005238100000000 ] - [ 0.0004337500000000, 0.0029647900000000, 0.0004534400000000 ] - [ -0.0001779300000000, -0.0004626700000000, 0.0006168500000000 ] - [ 0.0003361900000000, 0.0004055200000000, -0.0008226100000000 ] - [ 0.0000747100000000, 0.0003422900000000, -0.0009764300000000 ] - [ -0.0001053900000000, 0.0004337900000000, -0.0012685300000000 ] - [ -0.0011723400000000, 0.0004008900000000, -0.0000944600000000 ] - [ 0.0007853700000000, 0.0001143600000000, -0.0005467400000000 ] - [ 0.0005331800000000, 0.0002151900000000, -0.0004354200000000 ] - [ -0.0009468100000000, -0.0003138700000000, 0.0035608700000000 ] - [ -0.0009282400000000, -0.0002126700000000, -0.0003722400000000 ] - [ 0.0004653900000000, -0.0012541000000000, 0.0008189500000000 ] - [ -0.0009454200000000, -0.0016656600000000, 0.0000616200000000 ] - [ 0.0002990300000000, 0.0003769200000000, -0.0001198400000000 ] - [ -0.0002353100000000, 0.0001061800000000, 0.0005307500000000 ] - [ 0.0025290800000000, 0.0000760300000000, -0.0015107800000000 ] - [ -0.0003787800000000, 0.0002358000000000, -0.0004182400000000 ] - [ 0.0005498500000000, 0.0031241100000000, 0.0000945600000000 ] - [ 0.0005474700000000, -0.0000226900000000, 0.0001841800000000 ] - [ 0.0003612700000000, 0.0001801400000000, -0.0003672100000000 ] - [ 0.0003033100000000, 0.0001096100000000, -0.0003387200000000 ]- atom: 41 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0001992900000000, -0.0013150300000000, 0.0000265500000000 ] - [ -0.0005099000000000, -0.0009061800000000, -0.0004406700000000 ] - [ 0.0002464500000000, 0.0003909100000000, -0.0009872200000000 ] - [ 0.0002487700000000, 0.0007350400000000, -0.0011375600000000 ] - [ 0.0001737500000000, 0.0003126800000000, 0.0005628500000000 ] - [ -0.0006498000000000, 0.0003121100000000, -0.0001297200000000 ] - [ 0.0008188500000000, 0.0072072100000000, 0.0039174200000000 ] - [ -0.0000843400000000, 0.0007370700000000, 0.0003337700000000 ] - [ 0.0004620000000000, -0.0007932800000000, -0.0060093200000000 ] - [ -0.0003734900000000, -0.0008237200000000, 0.0005114900000000 ] - [ 0.0000817700000000, 0.0006725600000000, 0.0004545500000000 ] - [ -0.0004456400000000, 0.0005442400000000, 0.0004685200000000 ] - [ 0.0002446300000000, -0.0000273200000000, -0.0010204600000000 ] - [ 0.0002365000000000, -0.0005244500000000, -0.0006370600000000 ] - [ 0.0003491400000000, 0.0015515900000000, 0.0000556200000000 ] - [ -0.0000945600000000, 0.0009002900000000, -0.0000203500000000 ] - [ -0.0001593600000000, 0.0000260900000000, 0.0005196100000000 ] - [ -0.0004341600000000, -0.0003940300000000, 0.0004225900000000 ] - [ 0.0001471900000000, -0.0007243000000000, -0.0004414100000000 ] - [ -0.0000603900000000, -0.0007793200000000, -0.0005000900000000 ] - [ 0.0044649100000000, -0.0026089100000000, 0.0029665200000000 ] - [ -0.0005454600000000, 0.0008004100000000, 0.0002376600000000 ] - [ -0.0096016400000000, -0.0022758500000000, 0.0044165000000000 ] - [ -0.0093602500000000, -0.0056784200000000, -0.0013323600000000 ] - [ -0.0000381200000000, 0.0005589800000000, -0.0001126000000000 ] - [ -0.0002330500000000, 0.0004790100000000, -0.0000979600000000 ] - [ 0.0002725600000000, 0.0006935700000000, -0.0004343400000000 ] - [ 0.0000217400000000, 0.0006010500000000, -0.0003278700000000 ] - [ -0.0027053100000000, 0.0015614800000000, -0.0019153000000000 ] - [ 0.0001423800000000, -0.0005999400000000, -0.0000625900000000 ] - [ 0.0000633800000000, 0.0004467500000000, -0.0002322700000000 ] - [ -0.0001692100000000, 0.0005614800000000, -0.0004015500000000 ] - [ 0.0024663300000000, 0.0026019100000000, 0.0009755800000000 ] - [ -0.0002891500000000, -0.0002804700000000, 0.0003177400000000 ] - [ 0.0001452900000000, 0.0002979900000000, -0.0001599500000000 ] - [ -0.0000748700000000, 0.0003886400000000, -0.0002325700000000 ] - [ -0.0025568400000000, 0.0025910300000000, -0.0001295500000000 ] - [ 0.0001480600000000, -0.0002719300000000, 0.0004105600000000 ] - [ 0.0028186500000000, 0.0004076600000000, -0.0026639900000000 ] - [ -0.0000984200000000, -0.0005066800000000, -0.0001736100000000 ] - [ 0.3469565900000000, -0.3991763600000000, 0.2045510400000000 ] - [ -0.0002027800000000, 0.0008640200000000, 0.0004481600000000 ] - [ 0.0022126100000000, 0.0029322300000000, 0.0007525300000000 ] - [ 0.0001702600000000, 0.0003553900000000, -0.0007660100000000 ] - [ -0.0001289800000000, 0.0002091100000000, -0.0001845000000000 ] - [ 0.0014590500000000, -0.0040597600000000, 0.0009116100000000 ] - [ 0.0000409200000000, -0.0001980600000000, -0.0007886100000000 ] - [ 0.0000616400000000, -0.0001500100000000, -0.0008147500000000 ] - [ -0.0002652900000000, -0.0006143500000000, -0.0009450400000000 ] - [ -0.0006096400000000, -0.0000010500000000, -0.0001489100000000 ] - [ 0.0001428200000000, -0.0010178900000000, 0.0002816200000000 ] - [ 0.0005372700000000, -0.0023134000000000, 0.0000327600000000 ] - [ -0.0006539300000000, -0.0012678700000000, -0.0005243200000000 ] - [ 0.0000530500000000, -0.0001294800000000, -0.0004517800000000 ] - [ 0.0005608900000000, 0.0001379400000000, -0.0011901500000000 ] - [ 0.0005276000000000, -0.0001092900000000, 0.0005489500000000 ] - [ -0.0003034600000000, -0.0001940700000000, -0.0009207600000000 ] - [ -0.0002897900000000, -0.0001280200000000, -0.0007360600000000 ] - [ 0.0016808600000000, -0.0003087600000000, -0.0011052200000000 ] - [ 0.0006203700000000, 0.0000274900000000, 0.0002430900000000 ] - [ -0.0000906400000000, -0.0001039700000000, -0.0000410900000000 ] - [ -0.0000868000000000, -0.0002371000000000, -0.0002402100000000 ] - [ 0.0001331400000000, 0.0002667700000000, 0.0005686700000000 ] - [ 0.0002461400000000, 0.0018389900000000, 0.0013012900000000 ] - [ 0.0000070500000000, 0.0002591000000000, -0.0000402100000000 ] - [ 0.0000326500000000, 0.0001351500000000, 0.0000548800000000 ] - [ -0.0003318500000000, 0.0004183400000000, 0.0003257600000000 ] - [ -0.0003244900000000, 0.0004032200000000, 0.0003373400000000 ] - [ -0.0001971100000000, -0.0004014500000000, 0.0007625200000000 ] - [ -0.0002607900000000, -0.0006105300000000, 0.0006992200000000 ] - [ 0.0015470600000000, -0.0031974700000000, 0.0031245200000000 ] - [ -0.0000696600000000, 0.0001761000000000, -0.0000583800000000 ] - [ -0.0008750800000000, 0.0004309100000000, 0.0012129600000000 ] - [ 0.0001157700000000, 0.0000989200000000, -0.0002063100000000 ] - [ -0.0005166500000000, 0.0007065800000000, 0.0019296200000000 ] - [ -0.0002295900000000, 0.0001674000000000, 0.0003323200000000 ] - [ 0.0003023800000000, -0.0005541500000000, -0.0009614700000000 ] - [ 0.0004284700000000, 0.0025922300000000, 0.0009046100000000 ] - [ 0.0004174900000000, 0.0000931500000000, 0.0003722900000000 ] - [ 0.0007360200000000, 0.0003374600000000, 0.0004329400000000 ] - [ -0.0011800100000000, 0.0026540500000000, -0.0010980000000000 ] - [ 0.0001057400000000, 0.0004654500000000, 0.0002839100000000 ] - [ -0.0026463000000000, -0.0019960000000000, -0.0007944900000000 ] - [ 0.0001478100000000, -0.0012060000000000, -0.0001703900000000 ] - [ -0.0002887200000000, 0.0003853200000000, -0.0006311800000000 ] - [ -0.0000609100000000, 0.0005035600000000, -0.0003477700000000 ] - [ -0.0008121200000000, -0.0038282700000000, -0.0017010700000000 ] - [ 0.0001465600000000, -0.0007672600000000, 0.0001756600000000 ] - [ -0.0002839600000000, 0.0004111000000000, 0.0006893900000000 ] - [ -0.0001622200000000, 0.0004266800000000, 0.0007828000000000 ] - [ -0.0000944400000000, 0.0006884900000000, -0.0000403000000000 ] - [ 0.0001184200000000, 0.0007720500000000, 0.0000379500000000 ] - [ -0.0006985900000000, 0.0004311500000000, 0.0027464700000000 ] - [ -0.0005876000000000, -0.0001151800000000, 0.0002047200000000 ] - [ -0.0011584100000000, 0.0007072500000000, -0.0009200900000000 ] - [ 0.0003929500000000, 0.0000359300000000, -0.0009633400000000 ] - [ -0.1654156800000000, 0.1995946400000000, -0.1125418000000000 ] - [ 0.0005357300000000, -0.0007532800000000, -0.0004181000000000 ] - [ -0.0006948200000000, 0.0023289500000000, -0.0010665500000000 ] - [ 0.0007680200000000, -0.0000968900000000, 0.0002752000000000 ] - [ -0.0000475700000000, 0.0004197300000000, 0.0001702700000000 ] - [ 0.0000464500000000, 0.0004515400000000, 0.0001254800000000 ] - [ -0.0000213900000000, -0.0006663000000000, 0.0004552500000000 ] - [ 0.0000748100000000, -0.0008279700000000, 0.0005699600000000 ] - [ 0.0005663000000000, -0.0008453600000000, -0.0003918800000000 ] - [ -0.0000785700000000, -0.0018153100000000, -0.0010036100000000 ] - [ -0.0004923000000000, -0.0001761500000000, 0.0008988800000000 ] - [ 0.0000161500000000, -0.0001061800000000, 0.0007665900000000 ] - [ 0.0000179100000000, 0.0006618700000000, 0.0003697900000000 ] - [ 0.0001880900000000, 0.0006835900000000, 0.0004527800000000 ] - [ -0.1651572600000000, 0.1994839900000000, -0.0934569600000000 ] - [ 0.0008146900000000, -0.0005000300000000, -0.0006350400000000 ] - [ 0.0001250800000000, 0.0007176200000000, 0.0002602100000000 ] - [ 0.0005027500000000, 0.0013889200000000, 0.0003525700000000 ] - [ -0.0006223800000000, -0.0002423100000000, -0.0001231200000000 ] - [ -0.0004932800000000, -0.0001064300000000, 0.0000453600000000 ] - [ -0.0009363200000000, -0.0039899400000000, 0.0008114500000000 ] - [ -0.0003106300000000, -0.0005774900000000, 0.0006618000000000 ] - [ 0.0001550900000000, 0.0006368000000000, -0.0004515000000000 ] - [ 0.0004162300000000, 0.0006996500000000, -0.0002988700000000 ] - [ -0.0010231900000000, -0.0000773900000000, 0.0014453200000000 ] - [ 0.0000691700000000, -0.0000393100000000, 0.0002405700000000 ] - [ 0.0003395300000000, 0.0002420900000000, 0.0003775500000000 ] - [ 0.0005873600000000, 0.0001428700000000, 0.0002721900000000 ] - [ -0.0002092500000000, 0.0006667900000000, -0.0040523100000000 ] - [ -0.0002168100000000, 0.0005613300000000, -0.0001188500000000 ] - [ -0.0012402600000000, 0.0011972300000000, -0.0005929700000000 ] - [ 0.0001811400000000, 0.0016328200000000, 0.0001664100000000 ] - [ -0.0004449700000000, -0.0002569700000000, 0.0009962800000000 ] - [ 0.0001021300000000, 0.0000207600000000, 0.0003241200000000 ] - [ -0.0024166100000000, -0.0002035100000000, 0.0006556400000000 ] - [ 0.0004954200000000, -0.0003520500000000, -0.0004759500000000 ] - [ 0.0005812300000000, -0.0034965500000000, -0.0002359500000000 ] - [ 0.0005757500000000, -0.0003334300000000, -0.0003581500000000 ] - [ 0.0004213900000000, -0.0001257500000000, 0.0001481000000000 ] - [ 0.0004814100000000, -0.0000583100000000, 0.0001234700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004230100000000, -0.0016931800000000, 0.0001413100000000 ] - [ -0.0008498900000000, -0.0010591600000000, -0.0013492100000000 ] - [ 0.0002070300000000, 0.0002491800000000, -0.0013933600000000 ] - [ 0.0002340600000000, 0.0008558700000000, -0.0015822400000000 ] - [ 0.0005132100000000, 0.0001735100000000, 0.0008455200000000 ] - [ -0.0010324900000000, 0.0000480400000000, -0.0009381100000000 ] - [ 0.0022789100000000, 0.0161304700000000, 0.0065336000000000 ] - [ -0.0009695500000000, 0.0006631400000000, 0.0008383000000000 ] - [ 0.0021845400000000, 0.0005409300000000, -0.0124314100000000 ] - [ -0.0012702300000000, -0.0011191200000000, 0.0005061500000000 ] - [ 0.0006042500000000, 0.0006691600000000, 0.0002783900000000 ] - [ -0.0008980100000000, 0.0004592700000000, 0.0003516100000000 ] - [ 0.0003646400000000, 0.0004230700000000, -0.0013409700000000 ] - [ 0.0001165800000000, -0.0004933700000000, -0.0008034500000000 ] - [ 0.0003308000000000, 0.0023109200000000, 0.0006268500000000 ] - [ -0.0001686300000000, 0.0013271900000000, 0.0001337700000000 ] - [ -0.0001255400000000, 0.0004451500000000, 0.0008281200000000 ] - [ -0.0005185200000000, -0.0001935200000000, -0.0000050700000000 ] - [ 0.0002386100000000, -0.0006834300000000, -0.0006352800000000 ] - [ -0.0001327300000000, -0.0007338900000000, -0.0009401400000000 ] - [ 0.0054175000000000, -0.0021499900000000, 0.0147577200000000 ] - [ -0.0012901700000000, 0.0007837200000000, 0.0003916700000000 ] - [ -0.0063634600000000, -0.0070369700000000, 0.0070090100000000 ] - [ -0.0034004200000000, -0.0102405600000000, 0.0022763700000000 ] - [ 0.0000405800000000, 0.0005839200000000, -0.0003068900000000 ] - [ -0.0002966500000000, 0.0004262400000000, -0.0003370600000000 ] - [ 0.0004022000000000, 0.0008105600000000, -0.0005900000000000 ] - [ -0.0001679100000000, 0.0007011500000000, -0.0006018000000000 ] - [ -0.0035574600000000, 0.0039231900000000, -0.0040858400000000 ] - [ 0.0001220600000000, -0.0008262500000000, 0.0000968700000000 ] - [ 0.0000595200000000, 0.0004940900000000, -0.0003505200000000 ] - [ -0.0001119700000000, 0.0007638500000000, -0.0007662100000000 ] - [ 0.0041406900000000, 0.0063565800000000, 0.0009971700000000 ] - [ -0.0007295100000000, 0.0000064400000000, 0.0005991600000000 ] - [ 0.0002273000000000, 0.0002509700000000, -0.0003021400000000 ] - [ -0.0001712800000000, 0.0003991300000000, -0.0005171100000000 ] - [ -0.0029391000000000, 0.0060447700000000, -0.0000327500000000 ] - [ -0.0000028700000000, -0.0002411000000000, 0.0007063700000000 ] - [ 0.0049936200000000, 0.0025796300000000, -0.0052906100000000 ] - [ -0.0005868600000000, -0.0004789200000000, -0.0003157800000000 ] - [ 0.3995000500000000, -0.8717963000000000, 0.3731040700000000 ] - [ -0.0006991000000000, 0.0027130500000000, -0.0005555100000000 ] - [ 0.0027675900000000, 0.0039655700000000, 0.0013835000000000 ] - [ 0.0001924800000000, 0.0003298300000000, -0.0008081200000000 ] - [ -0.0005039300000000, 0.0013385500000000, -0.0007156800000000 ] - [ 0.0031142300000000, -0.0085320600000000, 0.0020551400000000 ] - [ 0.0000324700000000, -0.0001963800000000, -0.0007721300000000 ] - [ -0.0000142300000000, -0.0000081000000000, -0.0008394400000000 ] - [ -0.0003973900000000, -0.0006434100000000, -0.0010726400000000 ] - [ -0.0007623800000000, -0.0000702100000000, 0.0002533400000000 ] - [ 0.0008867700000000, -0.0022552600000000, 0.0007130900000000 ] - [ 0.0023123400000000, -0.0053283900000000, 0.0013801100000000 ] - [ -0.0011606400000000, -0.0021459100000000, -0.0006045900000000 ] - [ -0.0001310900000000, -0.0005457300000000, -0.0005827500000000 ] - [ 0.0004430400000000, 0.0000530500000000, -0.0016981600000000 ] - [ 0.0018124300000000, 0.0002413100000000, -0.0014750600000000 ] - [ -0.0002452700000000, -0.0002525100000000, -0.0011203400000000 ] - [ 0.0000525200000000, -0.0002591900000000, -0.0012702700000000 ] - [ 0.0024918800000000, -0.0006718300000000, -0.0024260300000000 ] - [ 0.0007032800000000, 0.0000186200000000, 0.0001598900000000 ] - [ -0.0002713500000000, -0.0003122200000000, -0.0002218300000000 ] - [ -0.0001764800000000, -0.0005069800000000, -0.0005136500000000 ] - [ 0.0014435800000000, 0.0022345800000000, 0.0013828200000000 ] - [ 0.0005069600000000, 0.0027443600000000, 0.0017953200000000 ] - [ -0.0000267700000000, 0.0003163700000000, -0.0000806900000000 ] - [ 0.0000680300000000, 0.0002367000000000, 0.0000895300000000 ] - [ -0.0004409300000000, 0.0006081600000000, 0.0002886900000000 ] - [ -0.0004027100000000, 0.0005319300000000, 0.0003270300000000 ] - [ -0.0002342300000000, -0.0004466600000000, 0.0007530300000000 ] - [ -0.0004441400000000, -0.0009887400000000, 0.0006171900000000 ] - [ 0.0030480800000000, -0.0063345300000000, 0.0061594500000000 ] - [ -0.0004504800000000, 0.0012090800000000, -0.0007804200000000 ] - [ -0.0016389900000000, 0.0007612100000000, 0.0026580600000000 ] - [ 0.0002017700000000, 0.0001209000000000, -0.0000595300000000 ] - [ -0.0006392300000000, 0.0011535900000000, 0.0031126300000000 ] - [ 0.0000419400000000, 0.0003315600000000, 0.0006083000000000 ] - [ 0.0010670400000000, -0.0010428300000000, -0.0023401700000000 ] - [ 0.0004094100000000, 0.0058300500000000, 0.0028834700000000 ] - [ -0.0000781900000000, 0.0002227900000000, 0.0006480300000000 ] - [ 0.0009600100000000, 0.0005411300000000, 0.0006850200000000 ] - [ -0.0025763700000000, 0.0048091100000000, -0.0025444300000000 ] - [ 0.0004866200000000, -0.0000968000000000, 0.0003268000000000 ] - [ -0.0042270200000000, -0.0024594200000000, -0.0012786900000000 ] - [ 0.0011477500000000, -0.0031743000000000, -0.0006264900000000 ] - [ -0.0004459500000000, 0.0003274600000000, -0.0007359900000000 ] - [ -0.0000576400000000, 0.0004526200000000, -0.0003383500000000 ] - [ -0.0014036900000000, -0.0049925800000000, -0.0023754200000000 ] - [ 0.0003903100000000, -0.0008169300000000, 0.0001332200000000 ] - [ -0.0002732100000000, 0.0003715000000000, 0.0006472100000000 ] - [ -0.0001426900000000, 0.0002914500000000, 0.0010062100000000 ] - [ -0.0001311300000000, 0.0006864500000000, 0.0000760400000000 ] - [ 0.0002594700000000, 0.0008940100000000, 0.0003896900000000 ] - [ -0.0011961700000000, 0.0007470300000000, 0.0049829400000000 ] - [ -0.0005091900000000, -0.0000652700000000, 0.0002622300000000 ] - [ -0.0021403100000000, 0.0019128300000000, -0.0017795700000000 ] - [ 0.0005042500000000, 0.0011686700000000, -0.0026245100000000 ] - [ -0.2061676700000000, 0.4288150900000000, -0.2119541400000000 ] - [ 0.0020935300000000, -0.0013627400000000, -0.0006942900000000 ] - [ -0.0019703900000000, 0.0046684300000000, -0.0022260000000000 ] - [ 0.0012368300000000, -0.0004336200000000, 0.0007477800000000 ] - [ -0.0000666500000000, 0.0003234700000000, 0.0003239200000000 ] - [ 0.0001506700000000, 0.0003673700000000, 0.0003031600000000 ] - [ -0.0000240300000000, -0.0007379000000000, 0.0004634200000000 ] - [ 0.0001074000000000, -0.0009278100000000, 0.0007464400000000 ] - [ -0.0000737300000000, -0.0021351100000000, -0.0009393600000000 ] - [ -0.0001654900000000, -0.0028452300000000, -0.0015899400000000 ] - [ -0.0007520100000000, -0.0002490900000000, 0.0010255200000000 ] - [ 0.0001274500000000, -0.0002058200000000, 0.0013301500000000 ] - [ -0.0000516900000000, 0.0006773100000000, 0.0004203900000000 ] - [ 0.0003458700000000, 0.0007272000000000, 0.0007186600000000 ] - [ -0.1948076800000000, 0.4290614800000000, -0.1715322500000000 ] - [ 0.0022397700000000, -0.0007802400000000, -0.0002103600000000 ] - [ 0.0002916500000000, 0.0009304900000000, 0.0004579500000000 ] - [ 0.0006821500000000, 0.0019091600000000, 0.0006110300000000 ] - [ -0.0006172900000000, -0.0002103000000000, 0.0000454300000000 ] - [ -0.0004031000000000, 0.0000112200000000, 0.0003708500000000 ] - [ -0.0015616800000000, -0.0051877600000000, 0.0006013700000000 ] - [ -0.0002086400000000, -0.0005736600000000, 0.0006773100000000 ] - [ 0.0000695000000000, 0.0006884600000000, -0.0003678400000000 ] - [ 0.0005810100000000, 0.0008906700000000, 0.0000936000000000 ] - [ -0.0011058700000000, -0.0001560000000000, 0.0019714600000000 ] - [ -0.0002575900000000, -0.0004634200000000, 0.0015226600000000 ] - [ 0.0002523400000000, 0.0002585700000000, 0.0005674800000000 ] - [ 0.0004916300000000, 0.0001400600000000, 0.0007773300000000 ] - [ -0.0004775500000000, 0.0007100300000000, -0.0076814100000000 ] - [ 0.0006341700000000, 0.0013316900000000, 0.0009478700000000 ] - [ -0.0014829300000000, 0.0021291000000000, -0.0018909200000000 ] - [ 0.0007587700000000, 0.0047589900000000, 0.0003531700000000 ] - [ -0.0005719800000000, -0.0006095900000000, 0.0009275300000000 ] - [ 0.0004432600000000, -0.0000122100000000, 0.0001608700000000 ] - [ -0.0039644800000000, -0.0001497800000000, 0.0007078100000000 ] - [ 0.0018717700000000, -0.0012033700000000, 0.0012741500000000 ] - [ 0.0001865300000000, -0.0039904400000000, -0.0007310200000000 ] - [ 0.0008334700000000, -0.0005010100000000, -0.0006582300000000 ] - [ 0.0004560700000000, -0.0002571800000000, 0.0003636900000000 ] - [ 0.0005373600000000, -0.0000980900000000, 0.0003211500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005013800000000, 0.0000588000000000, 0.0001082800000000 ] - [ 0.0007708200000000, -0.0005768400000000, 0.0015981100000000 ] - [ 0.0003448700000000, 0.0009082500000000, 0.0002315800000000 ] - [ 0.0003188000000000, 0.0003011600000000, 0.0004195900000000 ] - [ -0.0010002300000000, 0.0009545800000000, 0.0000502600000000 ] - [ 0.0005497900000000, 0.0010811800000000, 0.0018364800000000 ] - [ -0.0021869300000000, -0.0144300800000000, -0.0066971600000000 ] - [ 0.0010479200000000, 0.0009617900000000, -0.0010872300000000 ] - [ -0.0026722500000000, -0.0016243500000000, 0.0133956400000000 ] - [ 0.0007840700000000, -0.0000055900000000, 0.0003802700000000 ] - [ -0.0011550100000000, 0.0004730800000000, 0.0008859900000000 ] - [ 0.0003447600000000, 0.0006932600000000, 0.0008059100000000 ] - [ 0.0001199400000000, -0.0015571800000000, 0.0004328000000000 ] - [ 0.0003697300000000, -0.0006368400000000, -0.0000892700000000 ] - [ 0.0001388600000000, -0.0011867500000000, -0.0015180600000000 ] - [ 0.0006700200000000, -0.0002033100000000, -0.0010184300000000 ] - [ -0.0004110500000000, -0.0015987800000000, 0.0003221800000000 ] - [ -0.0000482500000000, -0.0009516000000000, 0.0011600500000000 ] - [ -0.0001599300000000, -0.0009516100000000, 0.0003815200000000 ] - [ 0.0002114200000000, -0.0009006500000000, 0.0006865200000000 ] - [ -0.0055055700000000, 0.0037844100000000, -0.0147084300000000 ] - [ 0.0012119100000000, 0.0008561500000000, -0.0001330000000000 ] - [ 0.0069130900000000, 0.0058521500000000, -0.0081672100000000 ] - [ 0.0039743800000000, 0.0090859900000000, -0.0034273500000000 ] - [ -0.0003204700000000, 0.0004832200000000, 0.0005918400000000 ] - [ 0.0000177500000000, 0.0006407400000000, 0.0006215400000000 ] - [ -0.0001262600000000, 0.0002613100000000, 0.0003091200000000 ] - [ 0.0004471700000000, 0.0003678900000000, 0.0003162100000000 ] - [ 0.0034314900000000, -0.0046769100000000, 0.0039506000000000 ] - [ -0.0002009400000000, 0.0000878000000000, -0.0001866800000000 ] - [ -0.0001406400000000, 0.0002395400000000, 0.0002593700000000 ] - [ 0.0000352700000000, -0.0000264000000000, 0.0006772800000000 ] - [ -0.0045310900000000, -0.0074871900000000, -0.0007140800000000 ] - [ 0.0004531600000000, -0.0010695500000000, -0.0003130300000000 ] - [ -0.0001462400000000, 0.0004812900000000, 0.0003935900000000 ] - [ 0.0002524100000000, 0.0003332300000000, 0.0006086600000000 ] - [ 0.0031265700000000, -0.0068285300000000, 0.0001389900000000 ] - [ 0.0000807900000000, -0.0004866300000000, -0.0006145400000000 ] - [ -0.0046658600000000, -0.0036578200000000, 0.0049551700000000 ] - [ 0.0008659200000000, -0.0005939800000000, 0.0000315900000000 ] - [ -0.4007807100000000, 0.8751327400000000, -0.3705156500000000 ] - [ 0.0004948600000000, -0.0021854800000000, 0.0021348400000000 ] - [ -0.0025702200000000, -0.0034400500000000, -0.0029483400000000 ] - [ 0.0000141600000000, 0.0002010900000000, -0.0007715200000000 ] - [ 0.0005078900000000, -0.0013506300000000, 0.0007204000000000 ] - [ -0.0031076900000000, 0.0084950000000000, -0.0020518200000000 ] - [ 0.0001762600000000, -0.0003376700000000, -0.0008058100000000 ] - [ 0.0002220700000000, -0.0005265800000000, -0.0007388400000000 ] - [ -0.0006631500000000, 0.0007415700000000, 0.0003485900000000 ] - [ -0.0002466300000000, 0.0001755700000000, -0.0010627500000000 ] - [ -0.0004890800000000, 0.0018900100000000, -0.0014628300000000 ] - [ -0.0019143900000000, 0.0049550800000000, -0.0021228400000000 ] - [ 0.0015701900000000, 0.0025421100000000, -0.0001240800000000 ] - [ 0.0005436000000000, 0.0009462400000000, -0.0001469800000000 ] - [ 0.0005708600000000, -0.0001622600000000, 0.0025083500000000 ] - [ -0.0007993500000000, -0.0003464800000000, 0.0022728100000000 ] - [ -0.0007613100000000, 0.0001452900000000, 0.0003037200000000 ] - [ -0.0010596300000000, 0.0001524300000000, 0.0004575100000000 ] - [ -0.0014806700000000, 0.0007790800000000, 0.0032337200000000 ] - [ 0.0003046900000000, 0.0000883100000000, 0.0006517800000000 ] - [ 0.0002735300000000, 0.0003140700000000, 0.0002252100000000 ] - [ 0.0001773300000000, 0.0005080100000000, 0.0005157400000000 ] - [ -0.0018619000000000, -0.0026505600000000, -0.0006594300000000 ] - [ -0.0009264100000000, -0.0031418400000000, -0.0010627700000000 ] - [ 0.0000302500000000, -0.0003032100000000, 0.0000819900000000 ] - [ -0.0000660200000000, -0.0002293800000000, -0.0000881800000000 ] - [ 0.0000278300000000, -0.0002065000000000, 0.0004416100000000 ] - [ -0.0000066500000000, -0.0001371100000000, 0.0004049700000000 ] - [ 0.0000312300000000, -0.0000783200000000, 0.0008296200000000 ] - [ 0.0002394400000000, 0.0004605100000000, 0.0009638100000000 ] - [ -0.0030328800000000, 0.0063115200000000, -0.0061414000000000 ] - [ 0.0004496700000000, -0.0012065600000000, 0.0007816600000000 ] - [ 0.0017712400000000, -0.0006344200000000, -0.0035107400000000 ] - [ -0.0000723300000000, 0.0000074800000000, -0.0007895900000000 ] - [ -0.0001415700000000, -0.0010993200000000, -0.0028898300000000 ] - [ -0.0008225900000000, -0.0002782800000000, -0.0003889800000000 ] - [ -0.0010918300000000, -0.0000824200000000, 0.0015839700000000 ] - [ -0.0004347300000000, -0.0069437100000000, -0.0036342800000000 ] - [ 0.0012277100000000, 0.0001242700000000, -0.0001626300000000 ] - [ 0.0001855600000000, -0.0001919600000000, -0.0002012500000000 ] - [ 0.0025842600000000, -0.0036479100000000, 0.0032920300000000 ] - [ -0.0004647800000000, 0.0012410200000000, 0.0004361700000000 ] - [ 0.0041059800000000, 0.0013624300000000, 0.0011773200000000 ] - [ -0.0012398700000000, 0.0020908800000000, 0.0005381300000000 ] - [ 0.0004200700000000, 0.0008008500000000, -0.0000353700000000 ] - [ 0.0000354600000000, 0.0006781000000000, -0.0004289500000000 ] - [ 0.0015002700000000, 0.0036947100000000, 0.0029174600000000 ] - [ -0.0002899900000000, -0.0005100900000000, 0.0003731100000000 ] - [ -0.0002137000000000, 0.0006697400000000, 0.0006316000000000 ] - [ -0.0003496800000000, 0.0007507700000000, 0.0002713300000000 ] - [ 0.0000318500000000, 0.0006338700000000, -0.0005838000000000 ] - [ -0.0003578100000000, 0.0004290700000000, -0.0008952200000000 ] - [ 0.0000721400000000, -0.0010980300000000, -0.0048175000000000 ] - [ -0.0006143000000000, -0.0002910500000000, -0.0000962300000000 ] - [ 0.0022501900000000, -0.0030486700000000, 0.0018764100000000 ] - [ -0.0004079200000000, -0.0023000900000000, 0.0027307900000000 ] - [ 0.1912666800000000, -0.4103533300000000, 0.1965408400000000 ] - [ -0.0021845400000000, 0.0000414100000000, 0.0001822000000000 ] - [ 0.0031085000000000, -0.0050079200000000, 0.0027054300000000 ] - [ -0.0000919200000000, 0.0000795600000000, -0.0002611300000000 ] - [ -0.0000377700000000, 0.0007818400000000, -0.0004197000000000 ] - [ -0.0002521100000000, 0.0007323800000000, -0.0003936300000000 ] - [ 0.0000432400000000, -0.0004004500000000, 0.0003034300000000 ] - [ -0.0000861900000000, -0.0002174900000000, 0.0000225300000000 ] - [ 0.0008751700000000, 0.0020869100000000, 0.0007229800000000 ] - [ 0.0009389900000000, 0.0027940600000000, 0.0013714500000000 ] - [ 0.0006181000000000, 0.0001232800000000, -0.0001712900000000 ] - [ -0.0002544100000000, 0.0000798500000000, -0.0004819300000000 ] - [ 0.0001489500000000, 0.0006506900000000, 0.0000852400000000 ] - [ -0.0002484200000000, 0.0006000200000000, -0.0002119500000000 ] - [ 0.2111296900000000, -0.4526320500000000, 0.1843052500000000 ] - [ -0.0017576800000000, -0.0002635800000000, -0.0010727400000000 ] - [ -0.0001886500000000, 0.0001726600000000, -0.0003653800000000 ] - [ -0.0005789300000000, -0.0008025300000000, -0.0005200800000000 ] - [ -0.0005290400000000, -0.0001459700000000, -0.0005305800000000 ] - [ -0.0007410200000000, -0.0003653700000000, -0.0008560500000000 ] - [ 0.0010905400000000, 0.0041429400000000, 0.0007101700000000 ] - [ -0.0002836200000000, -0.0004656600000000, 0.0006020300000000 ] - [ 0.0004186400000000, 0.0003485500000000, -0.0009134200000000 ] - [ -0.0000927200000000, 0.0001460700000000, -0.0013747400000000 ] - [ -0.0000171800000000, 0.0005119400000000, -0.0018013100000000 ] - [ -0.0008712300000000, 0.0008142400000000, -0.0013474600000000 ] - [ 0.0008696000000000, 0.0001002300000000, -0.0007316900000000 ] - [ 0.0006314700000000, 0.0002192800000000, -0.0009423100000000 ] - [ -0.0006584500000000, -0.0003295400000000, 0.0071734800000000 ] - [ -0.0017772900000000, -0.0009695500000000, -0.0014273900000000 ] - [ 0.0007261300000000, -0.0021963200000000, 0.0020926900000000 ] - [ -0.0015430600000000, -0.0048408000000000, -0.0001373400000000 ] - [ 0.0004791700000000, 0.0007474200000000, -0.0001463700000000 ] - [ -0.0005741900000000, 0.0001401500000000, 0.0006894400000000 ] - [ 0.0040996500000000, 0.0000025500000000, -0.0015618300000000 ] - [ -0.0017379000000000, 0.0010604000000000, -0.0021168800000000 ] - [ 0.0009414300000000, 0.0036546900000000, 0.0004686700000000 ] - [ 0.0002935100000000, 0.0001419700000000, 0.0004862600000000 ] - [ 0.0003246300000000, 0.0003137700000000, -0.0005788800000000 ] - [ 0.0002426000000000, 0.0001551400000000, -0.0005397100000000 ]- atom: 41 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0000106700000000, -0.0005828000000000, -0.0001343100000000 ] - [ 0.0000057100000000, -0.0007373700000000, 0.0003839900000000 ] - [ 0.0002962800000000, 0.0006447200000000, -0.0007120500000000 ] - [ 0.0002795000000000, 0.0005876000000000, -0.0005986900000000 ] - [ -0.0001790800000000, 0.0006774100000000, 0.0001860900000000 ] - [ -0.0003324700000000, 0.0006976400000000, 0.0006981500000000 ] - [ -0.0012303600000000, -0.0020711100000000, -0.0013021900000000 ] - [ 0.0005277300000000, 0.0007851400000000, -0.0002788800000000 ] - [ -0.0007169100000000, -0.0027600000000000, 0.0068842400000000 ] - [ 0.0001668600000000, -0.0003865500000000, 0.0003806100000000 ] - [ -0.0005830500000000, 0.0004637400000000, 0.0004289500000000 ] - [ -0.0000406200000000, 0.0005856800000000, 0.0004613000000000 ] - [ 0.0002299200000000, -0.0007194300000000, -0.0004884200000000 ] - [ 0.0002998400000000, -0.0005838900000000, -0.0003840400000000 ] - [ 0.0003876100000000, -0.0000087700000000, -0.0008156000000000 ] - [ 0.0001936800000000, 0.0003670600000000, -0.0005351000000000 ] - [ 0.0000057000000000, -0.0010488300000000, 0.0004697500000000 ] - [ -0.0004967900000000, -0.0007277200000000, 0.0010374000000000 ] - [ 0.0000889600000000, -0.0008730200000000, -0.0002377300000000 ] - [ -0.0000107200000000, -0.0008726100000000, -0.0001315800000000 ] - [ -0.0014640100000000, 0.0121432100000000, 0.0132075600000000 ] - [ 0.0003818100000000, 0.0008608900000000, 0.0001913300000000 ] - [ -0.0023499700000000, 0.0025175200000000, -0.0018545500000000 ] - [ 0.0012061800000000, 0.0024145900000000, -0.0013636900000000 ] - [ -0.0001308300000000, 0.0005357200000000, 0.0001181500000000 ] - [ -0.0001496900000000, 0.0005429800000000, 0.0001593500000000 ] - [ 0.0001369300000000, 0.0005068700000000, -0.0001488200000000 ] - [ 0.0002047000000000, 0.0004973600000000, -0.0000946600000000 ] - [ 0.0002773900000000, -0.0013836800000000, 0.0017905900000000 ] - [ 0.0000030200000000, -0.0002194900000000, -0.0000178200000000 ] - [ -0.0000286200000000, 0.0003394100000000, -0.0000555800000000 ] - [ -0.0001119200000000, 0.0003187100000000, 0.0000211800000000 ] - [ -0.0017614100000000, -0.0026100900000000, 0.0003609900000000 ] - [ 0.0001408800000000, -0.0006822900000000, 0.0001203100000000 ] - [ 0.0000362500000000, 0.0003748200000000, 0.0000184200000000 ] - [ 0.0000450300000000, 0.0003720500000000, 0.0000642100000000 ] - [ 0.0009145400000000, -0.0022793000000000, 0.0008717900000000 ] - [ 0.0000819700000000, -0.0003944200000000, -0.0000317300000000 ] - [ -0.0007659700000000, -0.0018554300000000, 0.0018880500000000 ] - [ 0.0003359000000000, -0.0005246100000000, 0.0000451600000000 ] - [ -0.0698619800000000, 0.2087844000000000, -0.2401335000000000 ] - [ 0.0001812500000000, -0.0007877600000000, 0.0013025600000000 ] - [ -0.0006044800000000, -0.0008284200000000, -0.0012240400000000 ] - [ 0.0001052600000000, 0.0003148200000000, -0.0007792300000000 ] - [ 0.0002396400000000, -0.0006053800000000, 0.0002803200000000 ] - [ -0.0006794300000000, 0.0019990900000000, -0.0004360800000000 ] - [ 0.0000822600000000, -0.0002244200000000, -0.0007970600000000 ] - [ 0.0001131600000000, -0.0002710800000000, -0.0007863100000000 ] - [ -0.0003247300000000, 0.0004700100000000, -0.0005412600000000 ] - [ -0.0004111500000000, 0.0000936500000000, -0.0006461000000000 ] - [ -0.0004081700000000, 0.0007160300000000, -0.0006135000000000 ] - [ -0.0002260500000000, 0.0011568300000000, -0.0008092400000000 ] - [ 0.0001724800000000, 0.0001593100000000, -0.0003525900000000 ] - [ 0.0002614100000000, 0.0003392100000000, -0.0002992300000000 ] - [ 0.0005930900000000, -0.0000226600000000, 0.0007449000000000 ] - [ -0.0001333100000000, -0.0002174000000000, 0.0013442800000000 ] - [ -0.0004865300000000, -0.0000467800000000, -0.0004369100000000 ] - [ -0.0006257900000000, -0.0000166400000000, -0.0002065400000000 ] - [ 0.0004307900000000, 0.0001964600000000, 0.0006326200000000 ] - [ 0.0004862900000000, 0.0000451400000000, 0.0004046800000000 ] - [ -0.0000834600000000, -0.0002604600000000, -0.0002747400000000 ] - [ 0.0000086400000000, 0.0000652900000000, 0.0000578100000000 ] - [ -0.0008604400000000, -0.0012389500000000, -0.0001010900000000 ] - [ -0.0004682400000000, -0.0010344700000000, -0.0001058000000000 ] - [ -0.0000777900000000, -0.0006260600000000, 0.0000752600000000 ] - [ -0.0000179800000000, -0.0000609500000000, -0.0000069600000000 ] - [ -0.0001958800000000, 0.0001739200000000, 0.0003786500000000 ] - [ -0.0001990400000000, 0.0001885800000000, 0.0003714000000000 ] - [ -0.0001114700000000, -0.0002760400000000, 0.0008059600000000 ] - [ -0.0000745900000000, -0.0002230700000000, 0.0007903200000000 ] - [ -0.0012985500000000, 0.0026158400000000, -0.0023588900000000 ] - [ 0.0001629600000000, -0.0005062800000000, 0.0003421300000000 ] - [ 0.0001622700000000, -0.0000270300000000, -0.0006086000000000 ] - [ 0.0000588700000000, 0.0000596900000000, -0.0004181500000000 ] - [ -0.0003167200000000, 0.0000026900000000, 0.0001606200000000 ] - [ -0.0004750000000000, -0.0000417500000000, 0.0000760300000000 ] - [ -0.0004334700000000, -0.0003094700000000, 0.0003905700000000 ] - [ 0.0001554400000000, -0.0020134500000000, -0.0011264300000000 ] - [ 0.0004389100000000, 0.0003878500000000, 0.0004503900000000 ] - [ 0.0005363200000000, 0.0001430000000000, 0.0001433900000000 ] - [ 0.0006824700000000, -0.0004611600000000, 0.0011013900000000 ] - [ -0.0002550500000000, 0.0008748900000000, 0.0003830300000000 ] - [ 0.0011788500000000, -0.0000260000000000, 0.0001032800000000 ] - [ -0.0006967500000000, 0.0005611700000000, -0.0000442700000000 ] - [ 0.0005367700000000, 0.0009139400000000, 0.0002575600000000 ] - [ -0.0000795100000000, 0.0006076300000000, -0.0003407300000000 ] - [ 0.0003946600000000, 0.0010498000000000, 0.0010421300000000 ] - [ -0.0000758500000000, -0.0006166700000000, 0.0001854200000000 ] - [ -0.0002632600000000, 0.0005376300000000, 0.0007571200000000 ] - [ -0.0002111000000000, 0.0005593700000000, 0.0006188000000000 ] - [ -0.0000626900000000, 0.0006563500000000, -0.0002217200000000 ] - [ -0.0000517700000000, 0.0006448400000000, -0.0003080000000000 ] - [ -0.0004918500000000, -0.0002841900000000, -0.0001289300000000 ] - [ -0.0006634800000000, -0.0002066400000000, 0.0000641100000000 ] - [ 0.0007997300000000, -0.0013448000000000, 0.0003713400000000 ] - [ -0.0002282400000000, -0.0014992400000000, 0.0011109800000000 ] - [ 0.0433688300000000, -0.1176123000000000, 0.1187648600000000 ] - [ -0.0007670300000000, -0.0003265400000000, -0.0002835300000000 ] - [ 0.0014923800000000, -0.0018897200000000, 0.0011436300000000 ] - [ 0.0003635200000000, 0.0000056200000000, 0.0000557700000000 ] - [ -0.0000532200000000, 0.0005732600000000, -0.0000302300000000 ] - [ -0.0000674200000000, 0.0005781200000000, -0.0000278200000000 ] - [ -0.0000247900000000, -0.0005170400000000, 0.0004134300000000 ] - [ 0.0001319400000000, -0.0001132500000000, 0.0003162200000000 ] - [ 0.0005713500000000, 0.0008403600000000, 0.0000115100000000 ] - [ 0.0004306200000000, 0.0008518100000000, 0.0001806600000000 ] - [ -0.0000539900000000, -0.0000176900000000, 0.0004110900000000 ] - [ -0.0000354700000000, -0.0000444600000000, 0.0001974200000000 ] - [ 0.0000583200000000, 0.0006644400000000, 0.0003163000000000 ] - [ 0.0000137200000000, 0.0006389100000000, 0.0002143800000000 ] - [ 0.0333448700000000, -0.1005662300000000, 0.0975174300000000 ] - [ -0.0006525500000000, -0.0004586700000000, -0.0009860800000000 ] - [ -0.0000414000000000, 0.0004680400000000, 0.0000627900000000 ] - [ 0.0001376300000000, 0.0005620800000000, 0.0000441800000000 ] - [ -0.0005229100000000, 0.0000081500000000, -0.0000277300000000 ] - [ -0.0005724300000000, -0.0002174800000000, -0.0003034300000000 ] - [ 0.0004615300000000, 0.0005689800000000, 0.0007832400000000 ] - [ -0.0003376300000000, -0.0005072700000000, 0.0005474100000000 ] - [ 0.0002408800000000, 0.0005084900000000, -0.0005592900000000 ] - [ 0.0002476800000000, 0.0004778700000000, -0.0006856800000000 ] - [ -0.0004962500000000, 0.0002578100000000, -0.0002863000000000 ] - [ -0.0002548100000000, 0.0003573600000000, -0.0004808400000000 ] - [ 0.0005514400000000, 0.0001568200000000, -0.0000704700000000 ] - [ 0.0006620500000000, 0.0001722600000000, -0.0002484400000000 ] - [ -0.0006983000000000, 0.0002307500000000, 0.0027393100000000 ] - [ -0.0009962100000000, -0.0002167800000000, -0.0007767100000000 ] - [ -0.0005243800000000, -0.0006637300000000, 0.0007844600000000 ] - [ -0.0005162400000000, -0.0012650100000000, -0.0001589600000000 ] - [ 0.0000079800000000, 0.0001073000000000, 0.0004549600000000 ] - [ -0.0002107500000000, 0.0000701900000000, 0.0005619400000000 ] - [ 0.0009488300000000, -0.0001343400000000, -0.0006330500000000 ] - [ -0.0004181400000000, 0.0002425000000000, -0.0013549900000000 ] - [ 0.0008006200000000, 0.0010542800000000, 0.0002595200000000 ] - [ 0.0003963100000000, -0.0000962200000000, 0.0000726900000000 ] - [ 0.0003779300000000, 0.0000584300000000, -0.0000758800000000 ] - [ 0.0004030200000000, 0.0000409600000000, -0.0001070200000000 ]- atom: 41 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0000924700000000, -0.0010492000000000, 0.0003824500000000 ] - [ -0.0000828600000000, -0.0008965300000000, -0.0001366400000000 ] - [ 0.0002552600000000, 0.0005081100000000, -0.0004533800000000 ] - [ 0.0002736700000000, 0.0005660800000000, -0.0005616300000000 ] - [ -0.0003009400000000, 0.0004486100000000, 0.0007021100000000 ] - [ -0.0001606400000000, 0.0004286000000000, 0.0001962700000000 ] - [ 0.0013109300000000, 0.0037219500000000, 0.0010567600000000 ] - [ -0.0004454600000000, 0.0008464200000000, 0.0000255600000000 ] - [ 0.0002357200000000, 0.0016114700000000, -0.0059156100000000 ] - [ -0.0006529300000000, -0.0007399300000000, 0.0005071700000000 ] - [ 0.0000313100000000, 0.0006932400000000, 0.0007256000000000 ] - [ -0.0005127600000000, 0.0005687800000000, 0.0006936800000000 ] - [ 0.0002543100000000, -0.0004016300000000, -0.0004060600000000 ] - [ 0.0001879400000000, -0.0005436300000000, -0.0005065200000000 ] - [ 0.0000996300000000, 0.0011352600000000, -0.0000824600000000 ] - [ 0.0002903200000000, 0.0007604400000000, -0.0003610200000000 ] - [ -0.0005585100000000, -0.0001101400000000, 0.0006973000000000 ] - [ -0.0000567600000000, -0.0004260500000000, 0.0001341300000000 ] - [ -0.0000081800000000, -0.0007621300000000, -0.0000186000000000 ] - [ 0.0000887500000000, -0.0007625000000000, -0.0001240000000000 ] - [ 0.0013410700000000, -0.0107932900000000, -0.0132951100000000 ] - [ -0.0004521700000000, 0.0007747900000000, 0.0000666800000000 ] - [ 0.0028224200000000, -0.0036672900000000, 0.0006923900000000 ] - [ -0.0006842100000000, -0.0035670400000000, 0.0002082500000000 ] - [ -0.0001473700000000, 0.0005329300000000, 0.0001633900000000 ] - [ -0.0001290400000000, 0.0005252400000000, 0.0001252600000000 ] - [ 0.0001417900000000, 0.0005591900000000, -0.0001374300000000 ] - [ 0.0000742400000000, 0.0005699700000000, -0.0001918600000000 ] - [ -0.0004073000000000, 0.0006783000000000, -0.0018864000000000 ] - [ -0.0000811400000000, -0.0005116600000000, -0.0000709300000000 ] - [ -0.0000525000000000, 0.0003934200000000, -0.0000373700000000 ] - [ 0.0000318700000000, 0.0004133500000000, -0.0001148300000000 ] - [ 0.0014757500000000, 0.0015404800000000, -0.0000891000000000 ] - [ -0.0004195900000000, -0.0003859200000000, 0.0001672100000000 ] - [ 0.0000445200000000, 0.0003588700000000, 0.0000715600000000 ] - [ 0.0000343300000000, 0.0003622200000000, 0.0000245900000000 ] - [ -0.0008227400000000, 0.0015282100000000, -0.0007800200000000 ] - [ 0.0000011700000000, -0.0003381500000000, 0.0001224600000000 ] - [ 0.0010948700000000, 0.0008239200000000, -0.0021987200000000 ] - [ -0.0000550700000000, -0.0005437000000000, -0.0003259700000000 ] - [ 0.0705186700000000, -0.2091581100000000, 0.2422025000000000 ] - [ -0.0003880800000000, 0.0013181200000000, 0.0002757600000000 ] - [ 0.0008218700000000, 0.0013721900000000, -0.0003469400000000 ] - [ 0.0001017000000000, 0.0002178300000000, -0.0007998900000000 ] - [ -0.0002386900000000, 0.0006038400000000, -0.0002789200000000 ] - [ 0.0006741000000000, -0.0019895400000000, 0.0004337000000000 ] - [ 0.0001238500000000, -0.0003055300000000, -0.0007824200000000 ] - [ 0.0000928200000000, -0.0002587000000000, -0.0007932600000000 ] - [ -0.0006819900000000, -0.0003609100000000, -0.0002728200000000 ] - [ -0.0005977600000000, 0.0000128200000000, -0.0001637400000000 ] - [ 0.0008454600000000, -0.0011704700000000, -0.0000945000000000 ] - [ 0.0006520300000000, -0.0015852500000000, 0.0000886900000000 ] - [ 0.0002494000000000, 0.0002581800000000, -0.0003742900000000 ] - [ 0.0001517100000000, 0.0000628000000000, -0.0004296000000000 ] - [ 0.0004212700000000, -0.0000816400000000, 0.0000604300000000 ] - [ 0.0011532800000000, 0.0001140000000000, -0.0005529400000000 ] - [ -0.0005221100000000, -0.0000605200000000, -0.0003746800000000 ] - [ -0.0003854600000000, -0.0000891000000000, -0.0005983400000000 ] - [ 0.0005979100000000, -0.0000983700000000, 0.0001584300000000 ] - [ 0.0005225500000000, 0.0000607600000000, 0.0004039300000000 ] - [ 0.0000822400000000, 0.0002592600000000, 0.0002735100000000 ] - [ -0.0000075600000000, -0.0000616800000000, -0.0000547600000000 ] - [ 0.0004409600000000, 0.0008274600000000, 0.0008262600000000 ] - [ 0.0000525200000000, 0.0006294100000000, 0.0008308800000000 ] - [ 0.0000769200000000, 0.0006176200000000, -0.0000746800000000 ] - [ 0.0000179800000000, 0.0000616000000000, 0.0000066100000000 ] - [ -0.0002186700000000, 0.0002304700000000, 0.0003505000000000 ] - [ -0.0002140800000000, 0.0002134100000000, 0.0003584800000000 ] - [ -0.0000946100000000, -0.0002539500000000, 0.0007747300000000 ] - [ -0.0001317100000000, -0.0003085900000000, 0.0007893900000000 ] - [ 0.0012944700000000, -0.0026059000000000, 0.0023479900000000 ] - [ -0.0001646300000000, 0.0005106400000000, -0.0003450900000000 ] - [ -0.0000460200000000, 0.0001606200000000, -0.0002173100000000 ] - [ 0.0000705600000000, 0.0000688800000000, -0.0004290600000000 ] - [ -0.0004652600000000, 0.0000449900000000, 0.0000407200000000 ] - [ -0.0003061100000000, 0.0000943300000000, 0.0001435900000000 ] - [ 0.0004110300000000, -0.0008234500000000, -0.0011505300000000 ] - [ -0.0001792400000000, 0.0008678500000000, 0.0003680400000000 ] - [ 0.0007036000000000, -0.0000302500000000, 0.0000377100000000 ] - [ 0.0006083500000000, 0.0002113500000000, 0.0003386600000000 ] - [ -0.0006579000000000, 0.0015919400000000, -0.0003288600000000 ] - [ 0.0002762900000000, 0.0002624700000000, 0.0003832600000000 ] - [ -0.0012794000000000, -0.0010720000000000, -0.0002044100000000 ] - [ 0.0005863000000000, -0.0016505100000000, -0.0000472600000000 ] - [ -0.0005574000000000, 0.0002269200000000, -0.0010238000000000 ] - [ 0.0000567200000000, 0.0005302500000000, -0.0004248400000000 ] - [ -0.0003033100000000, -0.0023896600000000, -0.0005531300000000 ] - [ 0.0001709900000000, -0.0007091700000000, 0.0003179200000000 ] - [ -0.0002242900000000, 0.0004996700000000, 0.0005267900000000 ] - [ -0.0002769700000000, 0.0004786400000000, 0.0006644500000000 ] - [ -0.0000346000000000, 0.0006692300000000, -0.0002828700000000 ] - [ -0.0000447700000000, 0.0006829800000000, -0.0001951500000000 ] - [ -0.0006354000000000, -0.0000661900000000, 0.0003386900000000 ] - [ -0.0004634000000000, -0.0001508600000000, 0.0001045100000000 ] - [ -0.0007132200000000, 0.0002434700000000, -0.0002970100000000 ] - [ 0.0003160000000000, 0.0004323800000000, -0.0010428700000000 ] - [ -0.0443511200000000, 0.1164480400000000, -0.1171995300000000 ] - [ 0.0006716600000000, -0.0010008400000000, -0.0002260600000000 ] - [ -0.0003427900000000, 0.0015233700000000, -0.0006547800000000 ] - [ 0.0007820600000000, -0.0003632000000000, 0.0004351400000000 ] - [ -0.0000498500000000, 0.0005307600000000, -0.0000602300000000 ] - [ -0.0000329100000000, 0.0005219200000000, -0.0000604100000000 ] - [ 0.0000457300000000, -0.0006174000000000, 0.0003513000000000 ] - [ -0.0001074700000000, -0.0010180200000000, 0.0004483900000000 ] - [ 0.0002105900000000, -0.0008895000000000, -0.0002273800000000 ] - [ 0.0003529600000000, -0.0009032600000000, -0.0003978100000000 ] - [ -0.0000790000000000, -0.0001136400000000, 0.0004384100000000 ] - [ -0.0000906600000000, -0.0000855500000000, 0.0006443200000000 ] - [ 0.0000382100000000, 0.0006626000000000, 0.0001898800000000 ] - [ 0.0000833300000000, 0.0006874600000000, 0.0002927000000000 ] - [ -0.0326809200000000, 0.1005141100000000, -0.1010749900000000 ] - [ 0.0011356300000000, -0.0005820600000000, -0.0002967300000000 ] - [ 0.0001441800000000, 0.0006343500000000, 0.0000314700000000 ] - [ -0.0000411200000000, 0.0005304700000000, 0.0000462400000000 ] - [ -0.0006215700000000, -0.0003602300000000, -0.0004541600000000 ] - [ -0.0005717900000000, -0.0001373100000000, -0.0001825800000000 ] - [ -0.0009500600000000, -0.0016288100000000, 0.0004891900000000 ] - [ -0.0001526000000000, -0.0005321200000000, 0.0007297200000000 ] - [ 0.0002468500000000, 0.0005302400000000, -0.0007193300000000 ] - [ 0.0002414800000000, 0.0005594900000000, -0.0005937600000000 ] - [ -0.0006295100000000, 0.0000988500000000, 0.0004608800000000 ] - [ -0.0008780100000000, -0.0000010000000000, 0.0006604000000000 ] - [ 0.0005709800000000, 0.0001998100000000, -0.0000974000000000 ] - [ 0.0004649800000000, 0.0001843400000000, 0.0000786900000000 ] - [ -0.0004452200000000, 0.0001230400000000, -0.0032125400000000 ] - [ -0.0001457900000000, 0.0005721000000000, 0.0002973400000000 ] - [ -0.0002808700000000, 0.0006326200000000, -0.0005780900000000 ] - [ -0.0002677400000000, 0.0012249900000000, 0.0003648500000000 ] - [ -0.0001387700000000, 0.0000203900000000, 0.0003972000000000 ] - [ 0.0000808300000000, 0.0000582600000000, 0.0002906500000000 ] - [ -0.0008181400000000, 0.0000020400000000, -0.0002078900000000 ] - [ 0.0005506300000000, -0.0003750300000000, 0.0005225200000000 ] - [ 0.0003185600000000, -0.0014047600000000, -0.0004154900000000 ] - [ 0.0007286400000000, -0.0002600500000000, -0.0002443600000000 ] - [ 0.0004035000000000, -0.0000048300000000, -0.0001384600000000 ] - [ 0.0003789600000000, 0.0000112700000000, -0.0001086900000000 ]- atom: 45 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0029658100000000, -0.0032188200000000, 0.0049599100000000 ] - [ 0.0001669400000000, -0.0002260400000000, -0.0001526000000000 ] - [ 0.0001970100000000, 0.0002886500000000, -0.0002823800000000 ] - [ 0.0003628900000000, 0.0004374600000000, -0.0004184400000000 ] - [ -0.0002367500000000, 0.0006014900000000, 0.0005501600000000 ] - [ -0.0002446100000000, 0.0006021900000000, 0.0003732900000000 ] - [ 0.0002517500000000, 0.0014265200000000, -0.0004305900000000 ] - [ 0.0030930500000000, -0.0015707300000000, 0.0046566300000000 ] - [ 0.0000995800000000, -0.0012334100000000, 0.0002944200000000 ] - [ -0.0025827700000000, -0.0016600200000000, -0.0000009000000000 ] - [ 0.0000363500000000, 0.0013252500000000, 0.0009689200000000 ] - [ 0.0030219100000000, -0.0007577600000000, -0.0080420400000000 ] - [ 0.0002411300000000, -0.0005300700000000, -0.0005189500000000 ] - [ 0.0002496200000000, -0.0005308000000000, -0.0003389400000000 ] - [ -0.0021176100000000, -0.0004694100000000, -0.0008942500000000 ] - [ 0.0005836100000000, -0.0000750200000000, -0.0005901300000000 ] - [ -0.0001878200000000, -0.0007182500000000, 0.0007423600000000 ] - [ -0.0003556900000000, -0.0008680900000000, 0.0008843100000000 ] - [ -0.0000300000000000, -0.0010647000000000, -0.0003430100000000 ] - [ 0.0001317800000000, -0.0009432100000000, -0.0002617800000000 ] - [ 0.0000496300000000, 0.0006915200000000, -0.0000083500000000 ] - [ -0.0001082200000000, 0.0005726100000000, -0.0000830800000000 ] - [ 0.0035320500000000, -0.0019466200000000, -0.0092904300000000 ] - [ 0.0005869500000000, 0.0001523000000000, -0.0002169300000000 ] - [ -0.0001045500000000, 0.0007637500000000, 0.0002370000000000 ] - [ -0.0000703300000000, 0.0006190900000000, 0.0001355000000000 ] - [ 0.0001026400000000, 0.0001309800000000, -0.0002927300000000 ] - [ 0.0000953000000000, 0.0002214600000000, -0.0000839900000000 ] - [ -0.0001261700000000, -0.0001605600000000, -0.0000701800000000 ] - [ -0.0000518600000000, -0.0002301200000000, 0.0000015900000000 ] - [ 0.0000137200000000, -0.0002305600000000, -0.0000541300000000 ] - [ -0.0000368500000000, 0.0001992500000000, -0.0000755400000000 ] - [ -0.0001878000000000, -0.0008490900000000, 0.0002038900000000 ] - [ -0.0001707200000000, -0.0009358600000000, -0.0000051900000000 ] - [ 0.0000255300000000, 0.0005050000000000, 0.0000950600000000 ] - [ -0.0000438300000000, 0.0005741900000000, 0.0000230600000000 ] - [ 0.0000432300000000, -0.0005351900000000, 0.0000186900000000 ] - [ 0.0000926700000000, -0.0009644200000000, 0.0000436800000000 ] - [ 0.0002084500000000, -0.0004511500000000, -0.0001531500000000 ] - [ 0.0001748400000000, -0.0003064000000000, -0.0000462600000000 ] - [ 0.0000251400000000, -0.0002357700000000, 0.0010908900000000 ] - [ -0.0015600800000000, 0.0033654700000000, -0.0004705100000000 ] - [ 0.0000699600000000, 0.0001994600000000, -0.0008202400000000 ] - [ 0.0000980500000000, 0.0002973500000000, -0.0008725600000000 ] - [ -0.2174584400000000, 0.3212240100000000, -0.0451894000000000 ] - [ 0.0001739500000000, 0.0001855800000000, -0.0001011300000000 ] - [ -0.0013620700000000, 0.0028517300000000, -0.0020578300000000 ] - [ 0.0002331100000000, -0.0007740200000000, -0.0004859700000000 ] - [ -0.0006728700000000, -0.0000343900000000, 0.0005783000000000 ] - [ -0.0001332300000000, 0.0001832000000000, -0.0009202700000000 ] - [ 0.0002031200000000, -0.0001941600000000, -0.0003761500000000 ] - [ 0.0003067300000000, -0.0003517300000000, -0.0002381600000000 ] - [ 0.0003989100000000, 0.0008010700000000, -0.0000835600000000 ] - [ 0.0002026200000000, 0.0001683300000000, -0.0003815400000000 ] - [ 0.0008574300000000, 0.0000710700000000, -0.0000782900000000 ] - [ 0.0003370200000000, -0.0001398000000000, 0.0013754200000000 ] - [ -0.0005267700000000, -0.0000579700000000, -0.0003643200000000 ] - [ -0.0005309300000000, -0.0000593100000000, -0.0003687600000000 ] - [ 0.0004777500000000, 0.0000469700000000, 0.0004427400000000 ] - [ 0.0004796300000000, 0.0000490900000000, 0.0004505800000000 ] - [ -0.0000154800000000, -0.0000005900000000, -0.0000269100000000 ] - [ -0.0000147200000000, 0.0000010200000000, -0.0000255100000000 ] - [ -0.0002136900000000, -0.0002334200000000, 0.0003482800000000 ] - [ -0.0000130900000000, 0.0004070200000000, 0.0006484400000000 ] - [ -0.0000612800000000, -0.0002294700000000, -0.0000451600000000 ] - [ -0.0000523200000000, -0.0002160500000000, -0.0000283300000000 ] - [ -0.0001071700000000, 0.0000509900000000, 0.0004924000000000 ] - [ -0.0002110400000000, 0.0002099900000000, 0.0003524800000000 ] - [ -0.0001117300000000, -0.0002396900000000, 0.0007024000000000 ] - [ -0.0001371400000000, -0.0003327300000000, 0.0007576000000000 ] - [ 0.0043154400000000, 0.0006028600000000, -0.0007552500000000 ] - [ 0.0041963400000000, 0.0006782400000000, -0.0008558100000000 ] - [ 0.0000750000000000, 0.0000185900000000, -0.0005056400000000 ] - [ 0.0000604200000000, 0.0000307200000000, -0.0004810300000000 ] - [ -0.0009904100000000, 0.0000243800000000, -0.0001099300000000 ] - [ -0.0002161000000000, -0.0000380000000000, -0.0005504900000000 ] - [ 0.0992036200000000, -0.1575547700000000, 0.0265252600000000 ] - [ -0.0004520100000000, -0.0007604800000000, -0.0002865600000000 ] - [ 0.0005531900000000, 0.0002492000000000, 0.0002593300000000 ] - [ 0.0005617900000000, 0.0002812600000000, 0.0002485800000000 ] - [ -0.0004335800000000, 0.0003654200000000, 0.0004746300000000 ] - [ 0.1015581600000000, -0.1553796200000000, 0.0270950400000000 ] - [ -0.0002803800000000, -0.0008551900000000, -0.0002140600000000 ] - [ 0.0006493400000000, -0.0010020700000000, -0.0007400700000000 ] - [ 0.0000375100000000, 0.0007114700000000, -0.0003739800000000 ] - [ 0.0000312000000000, 0.0007159600000000, -0.0003801900000000 ] - [ 0.0000424600000000, -0.0005799400000000, 0.0002504500000000 ] - [ 0.0000205500000000, -0.0004047500000000, 0.0000376800000000 ] - [ 0.0011441600000000, -0.0000885700000000, 0.0028837300000000 ] - [ -0.0004023600000000, 0.0007845500000000, 0.0005828000000000 ] - [ -0.0000758800000000, 0.0009212000000000, -0.0004628600000000 ] - [ -0.0000558300000000, 0.0007462400000000, -0.0002543700000000 ] - [ -0.0005371900000000, -0.0002285900000000, 0.0000665700000000 ] - [ -0.0005397400000000, -0.0002364500000000, 0.0000690200000000 ] - [ 0.0000444100000000, -0.0003054100000000, 0.0001774700000000 ] - [ 0.0001019100000000, -0.0004798000000000, 0.0000869100000000 ] - [ -0.0006646600000000, -0.0005795000000000, -0.0001115200000000 ] - [ 0.0005271600000000, -0.0026987300000000, -0.0000471200000000 ] - [ -0.0016399600000000, -0.0001599500000000, -0.0001101600000000 ] - [ 0.0020121100000000, -0.0026181400000000, 0.0007367400000000 ] - [ 0.0000001700000000, 0.0006246000000000, -0.0000047900000000 ] - [ -0.0000616100000000, 0.0008001800000000, 0.0000891600000000 ] - [ 0.0000532200000000, -0.0004170400000000, 0.0003861100000000 ] - [ 0.0000592900000000, -0.0004213300000000, 0.0003909200000000 ] - [ 0.0005762900000000, -0.0000911500000000, -0.0007716000000000 ] - [ -0.0002111500000000, -0.0000308400000000, -0.0003242600000000 ] - [ -0.0000738200000000, -0.0000948500000000, 0.0003764700000000 ] - [ -0.0000574000000000, -0.0001073900000000, 0.0003474500000000 ] - [ 0.0006363000000000, -0.0013852100000000, 0.0004577700000000 ] - [ -0.0005731300000000, 0.0007416300000000, 0.0003858700000000 ] - [ 0.0000908700000000, -0.0002573000000000, -0.0006911900000000 ] - [ 0.0016262900000000, -0.0011262300000000, 0.0015877600000000 ] - [ 0.0007507800000000, 0.0001007600000000, -0.0006402400000000 ] - [ -0.0001714900000000, 0.0002545600000000, -0.0001264300000000 ] - [ -0.0005818500000000, -0.0000703500000000, -0.0002341500000000 ] - [ -0.0005902700000000, -0.0001036100000000, -0.0002269200000000 ] - [ -0.0001501900000000, -0.0005197400000000, 0.0006419300000000 ] - [ -0.0002233300000000, -0.0004396100000000, 0.0003946100000000 ] - [ 0.0002701500000000, 0.0006057000000000, -0.0008816100000000 ] - [ 0.0003387800000000, 0.0005222500000000, -0.0006374500000000 ] - [ -0.0012642000000000, 0.0015293000000000, 0.0004124200000000 ] - [ -0.0004818900000000, 0.0003853000000000, -0.0003605400000000 ] - [ 0.0005853700000000, 0.0001203000000000, -0.0001010600000000 ] - [ 0.0005881100000000, 0.0001282600000000, -0.0001065900000000 ] - [ 0.0008266600000000, -0.0022558000000000, 0.0002449800000000 ] - [ -0.0027439200000000, 0.0001566400000000, -0.0005126000000000 ] - [ -0.0004237300000000, -0.0000579000000000, 0.0000822700000000 ] - [ -0.0004129400000000, 0.0001292300000000, 0.0004121800000000 ] - [ 0.0010404500000000, 0.0001547700000000, 0.0003860600000000 ] - [ -0.0005737200000000, 0.0010062000000000, 0.0007484900000000 ] - [ -0.0004251400000000, 0.0008959400000000, -0.0001201600000000 ] - [ 0.0011548000000000, 0.0000319900000000, -0.0004670600000000 ] - [ 0.0006472000000000, 0.0000272800000000, -0.0005388600000000 ] - [ -0.0001551100000000, 0.0011833200000000, 0.0002451400000000 ] - [ 0.0003700300000000, 0.0001808400000000, 0.0001975200000000 ] - [ 0.0003612300000000, -0.0000094900000000, -0.0001361900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0082698000000000, 0.0032711300000000, -0.0135570000000000 ] - [ 0.0001424300000000, -0.0018870200000000, 0.0004149800000000 ] - [ 0.0006801100000000, 0.0015901200000000, -0.0016318700000000 ] - [ -0.0001703600000000, 0.0011405100000000, -0.0012763500000000 ] - [ -0.0002478000000000, 0.0004071200000000, -0.0001376500000000 ] - [ -0.0002416800000000, 0.0004342300000000, 0.0006981200000000 ] - [ 0.0002235500000000, -0.0002521600000000, 0.0001516200000000 ] - [ -0.0082415900000000, 0.0048941100000000, -0.0139018100000000 ] - [ -0.0021071600000000, 0.0005871700000000, 0.0007320900000000 ] - [ 0.0123708800000000, 0.0172329000000000, 0.0007828900000000 ] - [ -0.0006262200000000, -0.0009578200000000, 0.0001646800000000 ] - [ -0.0058220700000000, -0.0056204100000000, 0.0156340100000000 ] - [ 0.0002431900000000, -0.0007001400000000, -0.0001943200000000 ] - [ 0.0002376800000000, -0.0007265100000000, -0.0010275500000000 ] - [ 0.0129742600000000, 0.0184457500000000, -0.0001025900000000 ] - [ -0.0016279900000000, 0.0017132600000000, -0.0001610700000000 ] - [ -0.0007204600000000, -0.0000174200000000, -0.0001133600000000 ] - [ 0.0001271300000000, 0.0004338800000000, -0.0004699400000000 ] - [ 0.0003309100000000, 0.0001258500000000, 0.0003666500000000 ] - [ -0.0003364400000000, -0.0003985400000000, 0.0002771300000000 ] - [ -0.0004171400000000, 0.0012394500000000, 0.0005314500000000 ] - [ 0.0002528400000000, 0.0017623500000000, 0.0006190600000000 ] - [ -0.0052335800000000, -0.0067304900000000, 0.0143766400000000 ] - [ -0.0000737200000000, -0.0021122500000000, -0.0010054100000000 ] - [ -0.0001203100000000, -0.0003763900000000, -0.0002604600000000 ] - [ -0.0003640800000000, 0.0002302300000000, 0.0001136100000000 ] - [ 0.0000738300000000, 0.0018761300000000, 0.0000555700000000 ] - [ 0.0000753600000000, 0.0015844400000000, 0.0000263400000000 ] - [ 0.0001709800000000, -0.0011349300000000, 0.0000492700000000 ] - [ -0.0000736200000000, -0.0009452300000000, -0.0002842700000000 ] - [ 0.0002603500000000, 0.0022980500000000, 0.0000996200000000 ] - [ -0.0001762100000000, 0.0008889300000000, 0.0000412900000000 ] - [ -0.0002009000000000, 0.0005152900000000, 0.0003043300000000 ] - [ -0.0002075100000000, 0.0008066700000000, 0.0003321600000000 ] - [ 0.0000045000000000, -0.0002123300000000, -0.0001920700000000 ] - [ 0.0002518000000000, -0.0003986400000000, 0.0001416700000000 ] - [ -0.0000968600000000, 0.0001544400000000, 0.0001312500000000 ] - [ 0.0003403800000000, 0.0015640300000000, 0.0001788000000000 ] - [ -0.0000854800000000, -0.0008394100000000, -0.0001727700000000 ] - [ 0.0001584800000000, -0.0014457500000000, -0.0005442700000000 ] - [ -0.0003140300000000, 0.0016158100000000, 0.0000656900000000 ] - [ 0.0039574900000000, -0.0082255900000000, 0.0044258000000000 ] - [ 0.0002414400000000, 0.0004975500000000, -0.0006736400000000 ] - [ 0.0003596500000000, 0.0005720400000000, -0.0000298100000000 ] - [ 0.3218060500000000, -1.1950751900000001, 0.1620898800000000 ] - [ 0.0001855800000000, -0.0007287900000000, 0.0001101800000000 ] - [ 0.0041785700000000, -0.0088031400000000, 0.0028523800000000 ] - [ -0.0001030000000000, 0.0010723400000000, -0.0015091600000000 ] - [ -0.0002665000000000, 0.0000900600000000, -0.0018425200000000 ] - [ -0.0008352300000000, 0.0010085500000000, -0.0005833600000000 ] - [ 0.0001395300000000, -0.0000666700000000, -0.0003813800000000 ] - [ -0.0002960000000000, 0.0005327300000000, -0.0009914000000000 ] - [ -0.0005390200000000, -0.0022002100000000, -0.0013596600000000 ] - [ 0.0006194400000000, 0.0015796600000000, 0.0000443700000000 ] - [ 0.0001803000000000, 0.0009072600000000, 0.0002085900000000 ] - [ 0.0007360000000000, -0.0000182200000000, -0.0010074400000000 ] - [ -0.0003401900000000, -0.0000606100000000, -0.0007072000000000 ] - [ -0.0003822000000000, -0.0000373100000000, -0.0006118400000000 ] - [ 0.0006241600000000, 0.0000698200000000, 0.0002039800000000 ] - [ 0.0006656600000000, 0.0000466500000000, 0.0001097600000000 ] - [ 0.0000208400000000, -0.0000722800000000, 0.0000314300000000 ] - [ 0.0000209800000000, -0.0000720400000000, 0.0000316500000000 ] - [ 0.0001922400000000, 0.0011546800000000, 0.0007744000000000 ] - [ -0.0009520700000000, -0.0025994800000000, -0.0006271900000000 ] - [ 0.0002300900000000, 0.0008358600000000, 0.0001766900000000 ] - [ 0.0002161900000000, 0.0008381800000000, 0.0001466100000000 ] - [ -0.0007060200000000, 0.0009256200000000, -0.0002624000000000 ] - [ -0.0002710100000000, 0.0003307300000000, 0.0003496300000000 ] - [ 0.0001571500000000, 0.0000495900000000, 0.0015495000000000 ] - [ 0.0000354300000000, -0.0000332100000000, 0.0009051300000000 ] - [ 0.0011671800000000, -0.0088939800000000, 0.0106611800000000 ] - [ 0.0011844700000000, -0.0088580700000000, 0.0106264100000000 ] - [ -0.0000152100000000, 0.0002506900000000, -0.0001108000000000 ] - [ 0.0000673700000000, 0.0002100800000000, -0.0001206700000000 ] - [ 0.0020968600000000, 0.0001675800000000, 0.0007462100000000 ] - [ -0.0010076200000000, -0.0006509500000000, 0.0014322000000000 ] - [ -0.1529729700000000, 0.5612259900000000, -0.0795518700000000 ] - [ 0.0006508100000000, 0.0003141000000000, -0.0007081600000000 ] - [ 0.0006439900000000, -0.0000831000000000, 0.0002677300000000 ] - [ 0.0005852300000000, -0.0001836500000000, 0.0002909100000000 ] - [ 0.0006743700000000, 0.0014470600000000, 0.0000578800000000 ] - [ -0.1678813200000000, 0.6028831900000000, -0.0864540900000000 ] - [ 0.0006066900000000, 0.0007837300000000, 0.0005028200000000 ] - [ -0.0028797100000000, 0.0002107800000000, 0.0022109000000000 ] - [ -0.0001736900000000, 0.0000332500000000, -0.0003881000000000 ] - [ -0.0001390300000000, -0.0000116000000000, -0.0003078700000000 ] - [ 0.0001262800000000, -0.0010415800000000, 0.0002899200000000 ] - [ -0.0000100700000000, -0.0017072300000000, 0.0009666000000000 ] - [ -0.0044154700000000, 0.0021907700000000, -0.0054015800000000 ] - [ 0.0002536800000000, -0.0001686800000000, 0.0006871700000000 ] - [ -0.0001114100000000, -0.0003898800000000, 0.0004583800000000 ] - [ 0.0000287200000000, 0.0002819400000000, -0.0002155200000000 ] - [ -0.0006470000000000, 0.0000070300000000, 0.0002249400000000 ] - [ -0.0006712300000000, 0.0000571400000000, 0.0002709000000000 ] - [ 0.0000919700000000, -0.0014829300000000, -0.0004528800000000 ] - [ -0.0000365800000000, -0.0009109800000000, -0.0000169400000000 ] - [ 0.0020032900000000, -0.0004781700000000, -0.0004623200000000 ] - [ -0.0014810600000000, 0.0052172200000000, -0.0009901000000000 ] - [ 0.0052321000000000, 0.0067311000000000, -0.0054486700000000 ] - [ -0.0033437300000000, 0.0087006700000000, -0.0027226800000000 ] - [ -0.0001415600000000, 0.0001958300000000, -0.0001110300000000 ] - [ -0.0000135200000000, -0.0003699800000000, -0.0005456700000000 ] - [ -0.0001178800000000, -0.0011428200000000, 0.0004576400000000 ] - [ -0.0001524600000000, -0.0010978500000000, 0.0003778100000000 ] - [ -0.0002199400000000, -0.0006878500000000, 0.0012332200000000 ] - [ 0.0028759800000000, 0.0001184300000000, 0.0005338000000000 ] - [ -0.0000668100000000, 0.0000846100000000, 0.0007367800000000 ] - [ -0.0001481600000000, 0.0001252500000000, 0.0007450200000000 ] - [ -0.0013876800000000, 0.0065629900000000, -0.0004892800000000 ] - [ 0.0020948700000000, 0.0008460600000000, 0.0000372500000000 ] - [ 0.0007459900000000, -0.0012182000000000, -0.0005848400000000 ] - [ -0.0039106900000000, 0.0011209700000000, -0.0066496800000000 ] - [ -0.0027871400000000, 0.0013037400000000, 0.0023120800000000 ] - [ 0.0007119600000000, 0.0018891600000000, 0.0005935600000000 ] - [ -0.0005587800000000, -0.0005344500000000, -0.0001927600000000 ] - [ -0.0004992800000000, -0.0004340300000000, -0.0002172200000000 ] - [ -0.0005574600000000, -0.0005683400000000, 0.0006915700000000 ] - [ -0.0003979200000000, -0.0012481600000000, 0.0021544300000000 ] - [ 0.0000912100000000, -0.0002110600000000, 0.0008850900000000 ] - [ -0.0000669700000000, 0.0004726700000000, -0.0005870400000000 ] - [ 0.0002717800000000, -0.0042069400000000, -0.0002380300000000 ] - [ -0.0005113400000000, -0.0004065000000000, 0.0007148400000000 ] - [ 0.0004531300000000, 0.0004146300000000, 0.0001009500000000 ] - [ 0.0004772000000000, 0.0003645800000000, 0.0000547600000000 ] - [ -0.0045135100000000, 0.0091036300000000, -0.0032244400000000 ] - [ 0.0040717900000000, 0.0070753000000000, -0.0059286300000000 ] - [ -0.0002301200000000, -0.0000254300000000, 0.0002683300000000 ] - [ -0.0004029700000000, -0.0007772000000000, -0.0011529200000000 ] - [ -0.0018463400000000, -0.0004368800000000, 0.0003892400000000 ] - [ 0.0013417500000000, -0.0040072200000000, -0.0004402200000000 ] - [ 0.0014658100000000, -0.0041334600000000, -0.0012979800000000 ] - [ -0.0016924900000000, -0.0005608900000000, -0.0004671000000000 ] - [ 0.0006117500000000, -0.0007630500000000, 0.0005545500000000 ] - [ 0.0014303700000000, -0.0045825600000000, -0.0004180700000000 ] - [ 0.0003810700000000, -0.0007197600000000, -0.0013661800000000 ] - [ 0.0005523100000000, 0.0000282900000000, 0.0000491700000000 ]- atom: 45 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0009988100000000, -0.0020569000000000, 0.0022379200000000 ] - [ -0.0002134100000000, -0.0008251000000000, 0.0004694000000000 ] - [ 0.0003446000000000, 0.0005239600000000, -0.0007880800000000 ] - [ 0.0001852300000000, 0.0006196700000000, -0.0007780400000000 ] - [ -0.0002578900000000, 0.0005524400000000, 0.0002353100000000 ] - [ -0.0001900600000000, 0.0005740700000000, 0.0002162400000000 ] - [ -0.0001320800000000, 0.0008121300000000, 0.0002124100000000 ] - [ 0.0010540200000000, -0.0004119100000000, 0.0019740300000000 ] - [ -0.0001457800000000, -0.0003854700000000, 0.0008183100000000 ] - [ -0.0010041900000000, -0.0023675800000000, 0.0012703000000000 ] - [ -0.0004672100000000, 0.0004091400000000, 0.0006293800000000 ] - [ -0.0057530000000000, 0.0070242300000000, 0.0090533900000000 ] - [ 0.0002959400000000, -0.0005499400000000, -0.0006784500000000 ] - [ 0.0002281400000000, -0.0005714800000000, -0.0006585700000000 ] - [ -0.0005148000000000, -0.0012347100000000, 0.0003929600000000 ] - [ 0.0003432500000000, 0.0007462200000000, -0.0000733400000000 ] - [ -0.0003673000000000, -0.0005345600000000, 0.0003793900000000 ] - [ -0.0002090500000000, -0.0006285300000000, 0.0003689300000000 ] - [ -0.0000615400000000, -0.0008758800000000, -0.0004381000000000 ] - [ 0.0001490100000000, -0.0008731600000000, -0.0003704000000000 ] - [ 0.0000690100000000, 0.0007603900000000, -0.0001192900000000 ] - [ -0.0001398900000000, 0.0007580400000000, -0.0001856800000000 ] - [ -0.0050258000000000, 0.0057144300000000, 0.0076332900000000 ] - [ 0.0000861400000000, -0.0007504100000000, -0.0005350600000000 ] - [ -0.0001375700000000, 0.0005644800000000, -0.0000083200000000 ] - [ -0.0001350700000000, 0.0005585500000000, 0.0000490200000000 ] - [ 0.0000941700000000, 0.0005129100000000, -0.0000456500000000 ] - [ 0.0002243700000000, 0.0004205600000000, -0.0001340000000000 ] - [ 0.0000279600000000, -0.0002743500000000, -0.0002173400000000 ] - [ -0.0001078700000000, -0.0003899600000000, -0.0001787100000000 ] - [ -0.0000794000000000, 0.0001956600000000, -0.0000433200000000 ] - [ -0.0000416000000000, 0.0003454500000000, -0.0000035900000000 ] - [ -0.0000570300000000, -0.0006443300000000, 0.0001512100000000 ] - [ -0.0001836000000000, -0.0005528600000000, 0.0002396000000000 ] - [ -0.0000266900000000, 0.0003423700000000, -0.0000894400000000 ] - [ 0.0001102400000000, 0.0004594500000000, -0.0001278200000000 ] - [ 0.0000413700000000, -0.0003871700000000, 0.0000882000000000 ] - [ 0.0000022500000000, -0.0005350700000000, 0.0000493000000000 ] - [ 0.0001449900000000, -0.0005082900000000, -0.0002360200000000 ] - [ 0.0001420200000000, -0.0005029100000000, -0.0002920100000000 ] - [ 0.0000234500000000, -0.0002310500000000, 0.0010280400000000 ] - [ -0.0004494700000000, 0.0011032300000000, 0.0004802600000000 ] - [ 0.0000620800000000, 0.0002032300000000, -0.0008063400000000 ] - [ 0.0001431500000000, 0.0003315000000000, -0.0006716300000000 ] - [ 0.0332567600000000, 0.0398108100000000, -0.1406820800000000 ] - [ -0.0001554300000000, 0.0000389300000000, -0.0000043100000000 ] - [ -0.0002484300000000, 0.0005794100000000, -0.0011064400000000 ] - [ 0.0002291700000000, -0.0007615600000000, -0.0005534400000000 ] - [ -0.0006391800000000, 0.0000190800000000, -0.0002515700000000 ] - [ -0.0012446100000000, -0.0007574700000000, 0.0016399700000000 ] - [ 0.0001726500000000, -0.0001402200000000, -0.0003808200000000 ] - [ 0.0003214900000000, -0.0003678800000000, -0.0001972200000000 ] - [ 0.0001640100000000, 0.0000279400000000, -0.0004588100000000 ] - [ 0.0004917900000000, 0.0006098400000000, -0.0002145400000000 ] - [ -0.0002390900000000, -0.0008569100000000, 0.0024522200000000 ] - [ 0.0003742800000000, -0.0000855600000000, 0.0005449200000000 ] - [ -0.0003792700000000, -0.0000989200000000, -0.0006253900000000 ] - [ -0.0003814100000000, -0.0001066800000000, -0.0006516200000000 ] - [ 0.0006306000000000, -0.0000014500000000, 0.0001511400000000 ] - [ 0.0006324900000000, 0.0000063500000000, 0.0001780300000000 ] - [ -0.0000864600000000, -0.0001896500000000, -0.0001808400000000 ] - [ -0.0000861100000000, -0.0001888700000000, -0.0001801000000000 ] - [ 0.0000812700000000, 0.0002133700000000, 0.0005155000000000 ] - [ -0.0002500400000000, -0.0003755100000000, 0.0002690900000000 ] - [ -0.0000209500000000, -0.0000859100000000, 0.0000202900000000 ] - [ -0.0000077200000000, -0.0000600800000000, 0.0000386100000000 ] - [ -0.0000928900000000, 0.0000364600000000, 0.0005303400000000 ] - [ -0.0002409900000000, 0.0002634400000000, 0.0003473500000000 ] - [ -0.0000618500000000, -0.0001967600000000, 0.0009099300000000 ] - [ -0.0001420300000000, -0.0003236000000000, 0.0007763300000000 ] - [ -0.0015196500000000, 0.0004461600000000, -0.0009182200000000 ] - [ -0.0015357000000000, 0.0004830100000000, -0.0009656500000000 ] - [ -0.0000091200000000, 0.0000890900000000, -0.0001993800000000 ] - [ 0.0000226800000000, 0.0000970900000000, -0.0002236100000000 ] - [ -0.0001249200000000, -0.0000310900000000, 0.0000652400000000 ] - [ -0.0005655700000000, -0.0001047900000000, -0.0001361100000000 ] - [ -0.0102374100000000, -0.0217762000000000, 0.0577828400000000 ] - [ 0.0001627700000000, -0.0006405300000000, -0.0005018900000000 ] - [ 0.0006022000000000, 0.0002830900000000, 0.0004455900000000 ] - [ 0.0005988600000000, 0.0002938800000000, 0.0004567500000000 ] - [ 0.0001839100000000, 0.0004942000000000, 0.0002607400000000 ] - [ -0.0092220700000000, -0.0243609000000000, 0.0594442200000000 ] - [ 0.0000295000000000, -0.0005221800000000, 0.0000122200000000 ] - [ -0.0002368800000000, -0.0008048800000000, -0.0000143700000000 ] - [ -0.0000273100000000, 0.0006212500000000, -0.0002770300000000 ] - [ 0.0000334500000000, 0.0006014800000000, -0.0002641100000000 ] - [ 0.0000538400000000, -0.0006121700000000, 0.0002760900000000 ] - [ 0.0000414500000000, -0.0007045700000000, 0.0002914800000000 ] - [ 0.0003571400000000, 0.0006030300000000, 0.0011615500000000 ] - [ -0.0003508900000000, 0.0008041800000000, 0.0004699900000000 ] - [ -0.0000553500000000, 0.0006236700000000, -0.0002144100000000 ] - [ -0.0000415200000000, 0.0007177100000000, -0.0002302700000000 ] - [ -0.0006538800000000, -0.0001780900000000, 0.0003109500000000 ] - [ -0.0005830000000000, -0.0001705200000000, 0.0003084000000000 ] - [ -0.0000024900000000, -0.0004137500000000, 0.0001732400000000 ] - [ 0.0001149100000000, -0.0005546600000000, 0.0000961400000000 ] - [ -0.0006778000000000, -0.0006507100000000, -0.0002868300000000 ] - [ 0.0000677600000000, -0.0010086000000000, -0.0001387000000000 ] - [ 0.0012536300000000, -0.0009526800000000, 0.0008998700000000 ] - [ 0.0001759600000000, -0.0003949900000000, -0.0001144000000000 ] - [ 0.0000162900000000, 0.0005438900000000, 0.0000062100000000 ] - [ -0.0001008100000000, 0.0006841000000000, 0.0000869400000000 ] - [ 0.0000548100000000, -0.0005363200000000, 0.0005008000000000 ] - [ -0.0000057200000000, -0.0005153700000000, 0.0004878800000000 ] - [ 0.0002141300000000, -0.0001640200000000, -0.0003554700000000 ] - [ 0.0006558900000000, -0.0000849400000000, -0.0001500500000000 ] - [ -0.0001037900000000, -0.0000331500000000, 0.0006193700000000 ] - [ -0.0001340600000000, -0.0000411600000000, 0.0006416000000000 ] - [ 0.0001639100000000, 0.0003190600000000, 0.0003672700000000 ] - [ -0.0005848400000000, 0.0006766300000000, 0.0002180500000000 ] - [ 0.0001368700000000, -0.0002320400000000, -0.0008122400000000 ] - [ 0.0008411000000000, -0.0004315100000000, -0.0001256900000000 ] - [ -0.0001352900000000, 0.0002974100000000, 0.0000724600000000 ] - [ 0.0001305500000000, 0.0005768000000000, 0.0001009000000000 ] - [ -0.0005462900000000, -0.0000607100000000, -0.0000280500000000 ] - [ -0.0005420400000000, -0.0000714600000000, -0.0000397300000000 ] - [ -0.0002497700000000, -0.0004881200000000, 0.0007269500000000 ] - [ -0.0002673300000000, -0.0006371900000000, 0.0009649100000000 ] - [ 0.0002200900000000, 0.0003999800000000, -0.0003173300000000 ] - [ 0.0002363200000000, 0.0005466200000000, -0.0005570400000000 ] - [ 0.0000402900000000, 0.0000496700000000, -0.0010707300000000 ] - [ -0.0005222800000000, 0.0002221000000000, -0.0000723500000000 ] - [ 0.0005416500000000, 0.0001867800000000, 0.0001375700000000 ] - [ 0.0004700100000000, 0.0001797500000000, 0.0001416300000000 ] - [ -0.0009846700000000, -0.0000373600000000, -0.0006211600000000 ] - [ 0.0001193600000000, -0.0006208700000000, 0.0004504200000000 ] - [ -0.0003801600000000, -0.0000515400000000, 0.0002235300000000 ] - [ -0.0003798200000000, 0.0002047000000000, 0.0004677600000000 ] - [ -0.0001186700000000, 0.0001760300000000, 0.0002295000000000 ] - [ -0.0002401300000000, 0.0012366300000000, -0.0004806000000000 ] - [ -0.0001101000000000, 0.0011047800000000, -0.0013281800000000 ] - [ 0.0000000500000000, 0.0000463400000000, -0.0006101800000000 ] - [ 0.0006023000000000, -0.0001365100000000, -0.0002439600000000 ] - [ 0.0011582800000000, -0.0002949100000000, -0.0012464600000000 ] - [ 0.0004004100000000, 0.0002593000000000, 0.0002533300000000 ] - [ 0.0004010400000000, 0.0000010300000000, 0.0000076000000000 ]- atom: 49 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0006772900000000, -0.0009737900000000, 0.0003940500000000 ] - [ -0.0006422100000000, -0.0004504100000000, 0.0012079200000000 ] - [ 0.0002741500000000, 0.0005757800000000, -0.0011036600000000 ] - [ 0.0002144700000000, 0.0003618100000000, -0.0019655800000000 ] - [ 0.0000493200000000, 0.0005659900000000, -0.0001292800000000 ] - [ -0.0004599900000000, 0.0005506700000000, -0.0001544700000000 ] - [ -0.0020695500000000, -0.0044509800000000, -0.0004221400000000 ] - [ 0.0002498900000000, 0.0007561200000000, 0.0004081400000000 ] - [ -0.0049349100000000, 0.0005706400000000, 0.0061917000000000 ] - [ 0.0003292600000000, -0.0005459900000000, 0.0008906300000000 ] - [ -0.0007301400000000, 0.0068528000000000, -0.0011629600000000 ] - [ -0.0001216500000000, 0.0007219300000000, 0.0010797200000000 ] - [ 0.0003033600000000, -0.0006311600000000, -0.0013837300000000 ] - [ 0.0003305800000000, -0.0005424100000000, -0.0014279900000000 ] - [ 0.0101105800000000, 0.0031155800000000, 0.0034285100000000 ] - [ 0.0112530000000000, -0.0033362600000000, 0.0032480500000000 ] - [ 0.0003533100000000, -0.0005473200000000, -0.0004554600000000 ] - [ -0.0009320500000000, -0.0003050900000000, -0.0003189800000000 ] - [ 0.0007653800000000, -0.0008366600000000, -0.0011238900000000 ] - [ -0.0006108500000000, -0.0010147900000000, -0.0010659800000000 ] - [ -0.0000184200000000, 0.0011012200000000, -0.0012506500000000 ] - [ -0.0000269900000000, 0.0008461300000000, -0.0003744400000000 ] - [ -0.0002696200000000, -0.0007020200000000, 0.0005627800000000 ] - [ 0.0009997200000000, -0.0003524900000000, -0.0002615700000000 ] - [ 0.0000268900000000, 0.0005885300000000, -0.0001260000000000 ] - [ -0.0004289500000000, 0.0006816400000000, -0.0003197900000000 ] - [ 0.0032039500000000, -0.0001916300000000, -0.0029218400000000 ] - [ -0.0000497900000000, 0.0003483500000000, 0.0001390600000000 ] - [ -0.0003577100000000, -0.0005235500000000, -0.0005229300000000 ] - [ 0.0001329700000000, -0.0004296100000000, -0.0003240000000000 ] - [ 0.0002492500000000, 0.0002871700000000, -0.0000045700000000 ] - [ -0.0029576700000000, -0.0012948300000000, -0.0016864300000000 ] - [ -0.0027790200000000, 0.0010107200000000, -0.0015653900000000 ] - [ 0.0001484100000000, -0.0004622500000000, 0.0001882400000000 ] - [ 0.0003193900000000, 0.0005021100000000, -0.0004591600000000 ] - [ -0.0001180700000000, 0.0004200700000000, -0.0002131600000000 ] - [ 0.0027671400000000, 0.0005719400000000, -0.0021794500000000 ] - [ -0.0001854700000000, -0.0002316600000000, 0.0003032500000000 ] - [ 0.0004417400000000, -0.0007038200000000, -0.0006931500000000 ] - [ -0.0000144900000000, -0.0005792100000000, -0.0004004500000000 ] - [ -0.0003313000000000, 0.0004026600000000, 0.0008923900000000 ] - [ 0.0000003300000000, 0.0000121400000000, 0.0009258700000000 ] - [ -0.0010713400000000, -0.0017107400000000, -0.0013143000000000 ] - [ -0.0000115000000000, 0.0000690600000000, -0.0008493200000000 ] - [ -0.0001663400000000, 0.0002316500000000, -0.0002033000000000 ] - [ 0.0003653500000000, -0.0003281300000000, -0.0006571400000000 ] - [ 0.0000607800000000, -0.0003534400000000, -0.0007066500000000 ] - [ 0.0000668200000000, 0.0010403200000000, -0.0014908800000000 ] - [ -0.3411325300000000, -0.0803967600000000, 0.4369424200000000 ] - [ -0.0005994700000000, 0.0000652000000000, -0.0006948000000000 ] - [ 0.0000646200000000, -0.0000582900000000, -0.0003634900000000 ] - [ -0.0000367900000000, 0.0003998900000000, -0.0005639500000000 ] - [ -0.0000328300000000, 0.0000294400000000, -0.0000453500000000 ] - [ 0.0003113900000000, 0.0004391800000000, -0.0002441700000000 ] - [ -0.0003773900000000, -0.0010908500000000, 0.0037244100000000 ] - [ 0.0001840900000000, -0.0001236700000000, 0.0018754800000000 ] - [ -0.0000441100000000, -0.0002429700000000, -0.0013931000000000 ] - [ -0.0000638000000000, -0.0002116200000000, -0.0011542900000000 ] - [ 0.0009455000000000, -0.0001023100000000, -0.0004137700000000 ] - [ 0.0009395000000000, -0.0001103200000000, -0.0003920700000000 ] - [ -0.0003177900000000, -0.0006716200000000, -0.0006021900000000 ] - [ -0.0003034700000000, -0.0007480600000000, -0.0006972900000000 ] - [ -0.0003004700000000, -0.0015783200000000, -0.0001093200000000 ] - [ -0.0002007800000000, -0.0000273000000000, 0.0005149400000000 ] - [ -0.0000234200000000, -0.0001631100000000, 0.0001264800000000 ] - [ -0.0000270500000000, -0.0001219000000000, 0.0001228100000000 ] - [ -0.0003084600000000, 0.0003460200000000, 0.0003260600000000 ] - [ -0.0014823500000000, 0.0023216900000000, -0.0001094900000000 ] - [ -0.0003025000000000, -0.0005241500000000, 0.0007332000000000 ] - [ -0.0003162200000000, -0.0008265200000000, 0.0005797900000000 ] - [ 0.0003567900000000, -0.0007868300000000, 0.0000389000000000 ] - [ 0.0004106700000000, -0.0008433400000000, 0.0009993400000000 ] - [ -0.0002080300000000, 0.0001938300000000, 0.0002463800000000 ] - [ -0.0000367000000000, 0.0001477500000000, 0.0003480900000000 ] - [ -0.0007632400000000, 0.0016931200000000, 0.0002779400000000 ] - [ -0.0004929000000000, -0.0001174800000000, -0.0000927200000000 ] - [ -0.0000568700000000, -0.0007829600000000, -0.0006837800000000 ] - [ -0.0002593100000000, -0.0000189200000000, -0.0005801600000000 ] - [ 0.0005220600000000, 0.0004254700000000, 0.0010078000000000 ] - [ 0.0008206200000000, 0.0005343400000000, 0.0009782200000000 ] - [ 0.0010355500000000, 0.0008723700000000, -0.0028185400000000 ] - [ -0.0004871500000000, 0.0000676400000000, 0.0000902800000000 ] - [ -0.0008318900000000, -0.0005444000000000, 0.0001450800000000 ] - [ 0.0005053400000000, 0.0006396100000000, 0.0002973100000000 ] - [ 0.0001204400000000, 0.0006418000000000, -0.0000307700000000 ] - [ -0.0000993700000000, 0.0006346300000000, -0.0000386000000000 ] - [ -0.0001635600000000, -0.0000910300000000, 0.0026886100000000 ] - [ 0.0001909500000000, -0.0006159700000000, 0.0003819500000000 ] - [ -0.0007278800000000, 0.0005310900000000, 0.0007804100000000 ] - [ 0.0020906800000000, -0.0004456600000000, 0.0007606300000000 ] - [ -0.0003091400000000, 0.0008653100000000, 0.0000335300000000 ] - [ 0.0004628900000000, 0.0010313900000000, 0.0000790200000000 ] - [ -0.0006772200000000, -0.0001167500000000, 0.0009054200000000 ] - [ -0.0008358500000000, -0.0001325700000000, 0.0007752100000000 ] - [ 0.0006250300000000, -0.0009540200000000, 0.0004264400000000 ] - [ -0.0001859500000000, -0.0006897200000000, 0.0002795200000000 ] - [ 0.0010093400000000, 0.0001097700000000, 0.0006330100000000 ] - [ -0.0002162800000000, -0.0004744700000000, -0.0002669100000000 ] - [ 0.0004490400000000, -0.0008103200000000, -0.0010839200000000 ] - [ 0.0003304000000000, 0.0002347900000000, -0.0006800800000000 ] - [ -0.0002452700000000, -0.0001838400000000, 0.0025434400000000 ] - [ 0.0001046000000000, 0.0005377900000000, 0.0000633300000000 ] - [ -0.0001250300000000, -0.0004940800000000, 0.0008668600000000 ] - [ 0.0001677000000000, -0.0005116200000000, 0.0008191100000000 ] - [ 0.0026319300000000, 0.0009377500000000, 0.0000345500000000 ] - [ -0.0001779700000000, -0.0001332800000000, 0.0000116600000000 ] - [ -0.0004471500000000, 0.0001233900000000, 0.0012620700000000 ] - [ -0.0000836700000000, 0.0000645700000000, 0.0011261000000000 ] - [ -0.0005808800000000, 0.0005887700000000, 0.0004632000000000 ] - [ 0.0006335300000000, -0.0005275200000000, 0.0007932700000000 ] - [ -0.0003798300000000, -0.0019597900000000, -0.0006381000000000 ] - [ 0.0001367100000000, -0.0003835800000000, -0.0008439800000000 ] - [ -0.0001386000000000, 0.0003757600000000, 0.0000407400000000 ] - [ 0.0010989600000000, 0.0001882600000000, 0.0009066500000000 ] - [ -0.0005965400000000, 0.0001682300000000, 0.0004397400000000 ] - [ -0.0003247700000000, 0.0002019500000000, 0.0005543900000000 ] - [ 0.0006204000000000, 0.0006462200000000, 0.0018786300000000 ] - [ -0.0003222900000000, -0.0003863200000000, 0.0009940200000000 ] - [ 0.0001491100000000, 0.0006627300000000, -0.0002549000000000 ] - [ 0.0005697100000000, 0.0008727800000000, -0.0002560600000000 ] - [ -0.0010289400000000, 0.0013471200000000, -0.0022503700000000 ] - [ 0.0001680200000000, 0.0003185400000000, -0.0017851900000000 ] - [ 0.0001757600000000, 0.0001902800000000, 0.0007819800000000 ] - [ 0.0005368500000000, 0.0002058000000000, 0.0006494700000000 ] - [ -0.0001265200000000, -0.0003561900000000, -0.0022151100000000 ] - [ -0.0010702300000000, 0.0009269500000000, -0.0008535100000000 ] - [ -0.0005406800000000, -0.0000967600000000, 0.0004774100000000 ] - [ -0.0000333400000000, -0.0004047800000000, 0.0004815500000000 ] - [ 0.1627090500000000, 0.0337473300000000, -0.2207356100000000 ] - [ -0.0005443200000000, 0.0000209200000000, 0.0001463900000000 ] - [ 0.0019476500000000, -0.0001385500000000, -0.0028220700000000 ] - [ -0.0002155300000000, -0.0002237900000000, -0.0019174300000000 ] - [ 0.1601159300000000, 0.0465105000000000, -0.2164211900000000 ] - [ 0.0000745200000000, -0.0000809000000000, -0.0003737200000000 ] - [ 0.0003017200000000, -0.0000697900000000, 0.0002368300000000 ] - [ 0.0012799500000000, -0.0011738000000000, 0.0011142800000000 ]- atom: 49 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0007478000000000, -0.0006564600000000, -0.0001346300000000 ] - [ 0.0005543300000000, -0.0011772900000000, -0.0009448300000000 ] - [ 0.0002761400000000, 0.0005802600000000, -0.0000557700000000 ] - [ 0.0003387800000000, 0.0007907900000000, 0.0007956800000000 ] - [ -0.0005351800000000, 0.0005642600000000, 0.0010188500000000 ] - [ -0.0000248100000000, 0.0005804000000000, 0.0010440600000000 ] - [ 0.0021335500000000, 0.0060901200000000, 0.0001767300000000 ] - [ -0.0001653300000000, 0.0008769500000000, -0.0006684200000000 ] - [ 0.0044349600000000, -0.0017504600000000, -0.0053025900000000 ] - [ -0.0008129500000000, -0.0005809200000000, -0.0000003800000000 ] - [ 0.0001967100000000, -0.0056973600000000, 0.0023371500000000 ] - [ -0.0004370600000000, 0.0004330400000000, 0.0000884700000000 ] - [ 0.0001800100000000, -0.0004986300000000, 0.0004994300000000 ] - [ 0.0001570300000000, -0.0005875900000000, 0.0005327200000000 ] - [ -0.0098338100000000, -0.0020692700000000, -0.0043868200000000 ] - [ -0.0105217800000000, 0.0043442100000000, -0.0040907800000000 ] - [ -0.0009109500000000, -0.0006069200000000, 0.0016142400000000 ] - [ 0.0003858300000000, -0.0008525300000000, 0.0014835900000000 ] - [ -0.0006797300000000, -0.0007954200000000, 0.0008745600000000 ] - [ 0.0006850700000000, -0.0006203500000000, 0.0008096900000000 ] - [ -0.0000639500000000, 0.0005289100000000, 0.0015128500000000 ] - [ -0.0000510000000000, 0.0007882300000000, 0.0006271000000000 ] - [ 0.0008293800000000, -0.0004484900000000, -0.0017341300000000 ] - [ -0.0004574000000000, -0.0007992800000000, -0.0009055300000000 ] - [ -0.0003062500000000, 0.0004803500000000, 0.0004139500000000 ] - [ 0.0001483500000000, 0.0003892000000000, 0.0006040500000000 ] - [ -0.0029150000000000, 0.0012899400000000, 0.0027004700000000 ] - [ 0.0003269400000000, 0.0007187900000000, -0.0004205000000000 ] - [ 0.0002804600000000, -0.0002089500000000, 0.0004315900000000 ] - [ -0.0002120600000000, -0.0003053300000000, 0.0002278400000000 ] - [ -0.0003329100000000, 0.0004481300000000, -0.0000846000000000 ] - [ 0.0028740700000000, 0.0020289300000000, 0.0016135600000000 ] - [ 0.0025055000000000, -0.0020759400000000, 0.0018278400000000 ] - [ -0.0004226100000000, -0.0006069000000000, 0.0000921000000000 ] - [ -0.0002354200000000, 0.0002327700000000, 0.0005523600000000 ] - [ 0.0001961800000000, 0.0003144000000000, 0.0003074800000000 ] - [ -0.0026983900000000, -0.0012737200000000, 0.0022068600000000 ] - [ 0.0002667900000000, -0.0005042100000000, -0.0002147100000000 ] - [ -0.0001676800000000, -0.0003646300000000, 0.0004078900000000 ] - [ 0.0002947200000000, -0.0004902100000000, 0.0001137100000000 ] - [ 0.0001271500000000, 0.0001315900000000, 0.0006843600000000 ] - [ -0.0002106200000000, 0.0005261500000000, 0.0006503100000000 ] - [ 0.0012922600000000, 0.0022635700000000, -0.0002600000000000 ] - [ 0.0002189200000000, 0.0004646200000000, -0.0007274100000000 ] - [ 0.0001717200000000, -0.0002397100000000, 0.0002043200000000 ] - [ -0.0003585900000000, 0.0003263000000000, 0.0006608100000000 ] - [ 0.0001756900000000, -0.0002256100000000, -0.0008492400000000 ] - [ 0.0001413500000000, -0.0015715400000000, -0.0000912600000000 ] - [ 0.3400010000000000, 0.0803070800000000, -0.4380398000000000 ] - [ -0.0004077400000000, 0.0000414900000000, -0.0001178400000000 ] - [ 0.0003445200000000, -0.0003367200000000, -0.0003681700000000 ] - [ 0.0004495300000000, -0.0008023500000000, -0.0001654300000000 ] - [ 0.0004443200000000, 0.0003710200000000, -0.0006830300000000 ] - [ 0.0001024100000000, -0.0000363900000000, -0.0004857200000000 ] - [ 0.0013882000000000, 0.0009895100000000, -0.0029299700000000 ] - [ 0.0008140300000000, 0.0000128300000000, -0.0010411900000000 ] - [ -0.0009623400000000, 0.0001356400000000, 0.0005776900000000 ] - [ -0.0009420000000000, 0.0001042600000000, 0.0003374900000000 ] - [ 0.0000591200000000, 0.0002101000000000, 0.0012325700000000 ] - [ 0.0000685300000000, 0.0002170200000000, 0.0012046900000000 ] - [ 0.0003185500000000, 0.0006732100000000, 0.0006036400000000 ] - [ 0.0003025500000000, 0.0007455000000000, 0.0006945000000000 ] - [ -0.0001096100000000, 0.0011845500000000, 0.0008456200000000 ] - [ -0.0002351800000000, -0.0004123700000000, 0.0002006200000000 ] - [ 0.0000234700000000, 0.0001627500000000, -0.0001268000000000 ] - [ 0.0000263600000000, 0.0001204500000000, -0.0001230100000000 ] - [ -0.0001036200000000, 0.0000544900000000, 0.0004033000000000 ] - [ 0.0010562700000000, -0.0019012100000000, 0.0008361300000000 ] - [ 0.0000982900000000, -0.0000034800000000, 0.0008465800000000 ] - [ 0.0001085600000000, 0.0002912400000000, 0.0009970400000000 ] - [ -0.0003554500000000, 0.0007847600000000, -0.0000331900000000 ] - [ -0.0004123100000000, 0.0008445500000000, -0.0009996300000000 ] - [ 0.0003429600000000, -0.0000687000000000, -0.0011056200000000 ] - [ 0.0001693500000000, -0.0000217300000000, -0.0012018900000000 ] - [ -0.0000322100000000, -0.0016371700000000, -0.0000560000000000 ] - [ -0.0002890100000000, 0.0001690500000000, 0.0003081000000000 ] - [ 0.0000312800000000, -0.0003456300000000, -0.0000823000000000 ] - [ 0.0002470600000000, -0.0011162600000000, -0.0001855900000000 ] - [ 0.0006229100000000, -0.0000746000000000, -0.0005248500000000 ] - [ 0.0003235400000000, -0.0001802500000000, -0.0004911600000000 ] - [ -0.0009919300000000, 0.0002523900000000, 0.0035727200000000 ] - [ 0.0005085100000000, 0.0010703200000000, 0.0006743800000000 ] - [ 0.0007449200000000, -0.0005445300000000, -0.0002304000000000 ] - [ -0.0006154200000000, -0.0017535900000000, -0.0003906800000000 ] - [ -0.0001415300000000, 0.0004895500000000, -0.0007363700000000 ] - [ 0.0000778500000000, 0.0004983300000000, -0.0007259700000000 ] - [ 0.0002684100000000, -0.0012376700000000, -0.0022119700000000 ] - [ -0.0000937000000000, -0.0007058000000000, 0.0001244300000000 ] - [ 0.0002508700000000, 0.0005425800000000, 0.0004721400000000 ] - [ -0.0025648800000000, 0.0014877600000000, 0.0005128100000000 ] - [ 0.0002088400000000, 0.0004533700000000, -0.0005431200000000 ] - [ -0.0005583200000000, 0.0002924800000000, -0.0005832500000000 ] - [ -0.0004457400000000, -0.0002408900000000, -0.0007391000000000 ] - [ -0.0002898800000000, -0.0002244100000000, -0.0006024300000000 ] - [ -0.0005223200000000, -0.0001511700000000, -0.0003341000000000 ] - [ 0.0002922800000000, -0.0004201100000000, -0.0001816100000000 ] - [ -0.0011156700000000, -0.0014359200000000, -0.0011420400000000 ] - [ 0.0001181700000000, -0.0008490600000000, -0.0002340900000000 ] - [ 0.0006857700000000, 0.0004597000000000, 0.0015668900000000 ] - [ 0.0008162400000000, -0.0005885700000000, 0.0011623200000000 ] - [ 0.0001327400000000, 0.0012861100000000, -0.0026083400000000 ] - [ -0.0002083400000000, 0.0005687300000000, -0.0001578900000000 ] - [ 0.0001450400000000, -0.0006361400000000, -0.0001003300000000 ] - [ -0.0001461100000000, -0.0006200200000000, -0.0000540500000000 ] - [ -0.0018668500000000, -0.0009944800000000, -0.0002526700000000 ] - [ 0.0009479900000000, 0.0001072000000000, -0.0002081700000000 ] - [ 0.0003147100000000, -0.0002495100000000, -0.0004047300000000 ] - [ -0.0000504300000000, -0.0001905600000000, -0.0002700100000000 ] - [ 0.0006581000000000, 0.0007542800000000, 0.0000294800000000 ] - [ -0.0005310000000000, 0.0018435300000000, -0.0002884700000000 ] - [ 0.0008839000000000, 0.0009262200000000, -0.0006421600000000 ] - [ 0.0003543100000000, -0.0006619000000000, -0.0004290200000000 ] - [ 0.0002443900000000, 0.0007307200000000, 0.0000498400000000 ] - [ -0.0009868000000000, 0.0009119700000000, -0.0008082900000000 ] - [ -0.0005471300000000, -0.0005196600000000, -0.0009253900000000 ] - [ -0.0008174500000000, -0.0005518000000000, -0.0010359700000000 ] - [ -0.0011213100000000, -0.0017029200000000, -0.0006097400000000 ] - [ -0.0001705400000000, -0.0006563400000000, 0.0002860000000000 ] - [ 0.0003388000000000, 0.0003773700000000, -0.0010244700000000 ] - [ -0.0000764100000000, 0.0001704700000000, -0.0010214400000000 ] - [ -0.0000810000000000, -0.0010087000000000, 0.0024310100000000 ] - [ -0.0012769100000000, 0.0000372900000000, 0.0019449700000000 ] - [ 0.0009469200000000, 0.0001668000000000, -0.0009528600000000 ] - [ 0.0005878800000000, 0.0001516900000000, -0.0008176600000000 ] - [ -0.0010290700000000, 0.0007112500000000, 0.0017294400000000 ] - [ -0.0000741700000000, -0.0005743300000000, 0.0003704200000000 ] - [ -0.0002382200000000, 0.0000394900000000, -0.0002562500000000 ] - [ -0.0007513700000000, 0.0003524200000000, -0.0002623300000000 ] - [ -0.1617991800000000, -0.0345632400000000, 0.2279235400000000 ] - [ 0.0004103200000000, 0.0001070800000000, 0.0007089000000000 ] - [ -0.0018303400000000, 0.0000072500000000, 0.0019808700000000 ] - [ 0.0003363200000000, 0.0000838900000000, 0.0010470300000000 ] - [ -0.1599625200000000, -0.0455277900000000, 0.2102088800000000 ] - [ 0.0010527600000000, -0.0002748400000000, 0.0002034400000000 ] - [ 0.0004823500000000, 0.0001238100000000, -0.0004591600000000 ] - [ -0.0004877900000000, 0.0012131200000000, -0.0013248000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003335500000000, -0.0010375000000000, 0.0001071300000000 ] - [ -0.0004120500000000, -0.0007050700000000, 0.0002659200000000 ] - [ 0.0002899900000000, 0.0005957500000000, -0.0007971700000000 ] - [ 0.0002274500000000, 0.0005212800000000, -0.0011603500000000 ] - [ -0.0001448700000000, 0.0005511400000000, 0.0002194600000000 ] - [ -0.0003127600000000, 0.0005535200000000, 0.0002368300000000 ] - [ -0.0009219200000000, 0.0008874700000000, 0.0042158300000000 ] - [ 0.0002673400000000, 0.0006883100000000, 0.0001265500000000 ] - [ -0.0003332500000000, 0.0223045600000000, 0.0037665700000000 ] - [ -0.0000153700000000, -0.0004847400000000, 0.0006333300000000 ] - [ -0.0003839100000000, 0.0036409900000000, -0.0018294300000000 ] - [ -0.0001787000000000, 0.0005490700000000, 0.0007303200000000 ] - [ 0.0002579600000000, -0.0005971900000000, -0.0008049700000000 ] - [ 0.0002787600000000, -0.0005633900000000, -0.0007933200000000 ] - [ 0.0032847700000000, 0.0011812700000000, 0.0008878500000000 ] - [ -0.0016463200000000, -0.0000175700000000, 0.0016648100000000 ] - [ -0.0000516900000000, -0.0004635600000000, 0.0000337800000000 ] - [ -0.0005099500000000, -0.0004451600000000, 0.0002492500000000 ] - [ 0.0002851500000000, -0.0007553900000000, -0.0005088800000000 ] - [ -0.0001715100000000, -0.0008528600000000, -0.0004414000000000 ] - [ -0.0000412300000000, 0.0009674200000000, -0.0002198700000000 ] - [ -0.0000244500000000, 0.0008581100000000, -0.0000470900000000 ] - [ 0.0001907800000000, -0.0006599800000000, -0.0000895700000000 ] - [ 0.0002485200000000, -0.0006575200000000, -0.0001185300000000 ] - [ -0.0000839500000000, 0.0005274600000000, 0.0000446600000000 ] - [ -0.0002286400000000, 0.0005478100000000, -0.0000069000000000 ] - [ 0.0009369400000000, 0.0008341400000000, -0.0009123700000000 ] - [ 0.0000648300000000, 0.0005210400000000, -0.0000184700000000 ] - [ -0.0001630100000000, -0.0004793600000000, -0.0002268100000000 ] - [ 0.0000504600000000, -0.0004404300000000, -0.0001787200000000 ] - [ 0.0001399600000000, 0.0003778000000000, -0.0000358600000000 ] - [ -0.0012612400000000, -0.0000202800000000, -0.0005695900000000 ] - [ -0.0009263800000000, 0.0005396600000000, -0.0010816800000000 ] - [ -0.0000110500000000, -0.0004056600000000, 0.0001633900000000 ] - [ 0.0001232900000000, 0.0003667200000000, -0.0001131200000000 ] - [ -0.0000108500000000, 0.0003678500000000, -0.0000475600000000 ] - [ 0.0006048900000000, 0.0009759600000000, -0.0007999500000000 ] - [ -0.0000057200000000, -0.0002895100000000, 0.0001415700000000 ] - [ 0.0002191800000000, -0.0006765200000000, -0.0003925700000000 ] - [ 0.0000950700000000, -0.0005736300000000, -0.0002352400000000 ] - [ 0.0005592400000000, -0.0004190900000000, 0.0014776700000000 ] - [ -0.0000499200000000, 0.0001447800000000, 0.0008516100000000 ] - [ -0.0002551100000000, -0.0004514500000000, -0.0010777200000000 ] - [ 0.0000789400000000, 0.0002327400000000, -0.0007892400000000 ] - [ -0.0000889500000000, 0.0000393300000000, -0.0000680900000000 ] - [ 0.0001195600000000, 0.0009302700000000, -0.0007985200000000 ] - [ -0.0000891000000000, -0.0001553700000000, -0.0008297100000000 ] - [ 0.0001554600000000, 0.0000264100000000, -0.0009459300000000 ] - [ -0.0809766700000000, -0.1766017300000000, 0.1663045000000000 ] - [ -0.0004911200000000, 0.0000522600000000, -0.0007094500000000 ] - [ 0.0001500200000000, -0.0001401000000000, -0.0003698200000000 ] - [ 0.0001334100000000, -0.0000323300000000, -0.0004292200000000 ] - [ -0.0005177100000000, -0.0005851300000000, -0.0008061200000000 ] - [ 0.0002350800000000, 0.0002622700000000, -0.0003304900000000 ] - [ -0.0005366700000000, -0.0003978500000000, 0.0024368400000000 ] - [ 0.0004328500000000, 0.0000283500000000, 0.0008737100000000 ] - [ -0.0003143400000000, -0.0001254800000000, -0.0007973200000000 ] - [ -0.0003455300000000, -0.0001082100000000, -0.0006811600000000 ] - [ 0.0006588300000000, 0.0000032600000000, 0.0001144100000000 ] - [ 0.0006659800000000, -0.0000037500000000, 0.0001094400000000 ] - [ -0.0001135900000000, -0.0002522800000000, -0.0002205500000000 ] - [ -0.0001064000000000, -0.0002659400000000, -0.0002412200000000 ] - [ -0.0002823000000000, -0.0007462900000000, 0.0001938300000000 ] - [ -0.0005485900000000, -0.0007896500000000, 0.0001437500000000 ] - [ 0.0000044900000000, -0.0000074300000000, 0.0000509100000000 ] - [ 0.0000058000000000, 0.0000149800000000, 0.0000594500000000 ] - [ -0.0002461200000000, 0.0002585200000000, 0.0003478900000000 ] - [ -0.0007075900000000, 0.0010814600000000, 0.0002465400000000 ] - [ -0.0002449100000000, -0.0004666500000000, 0.0007285200000000 ] - [ -0.0001778400000000, -0.0004736400000000, 0.0007219600000000 ] - [ 0.0002109700000000, -0.0003293100000000, 0.0002051100000000 ] - [ 0.0001730100000000, -0.0004307300000000, 0.0005398700000000 ] - [ -0.0000277300000000, 0.0001152700000000, -0.0001855300000000 ] - [ 0.0000260600000000, 0.0001059500000000, -0.0001356500000000 ] - [ -0.0000891300000000, 0.0016389900000000, 0.0007888400000000 ] - [ -0.0004031500000000, -0.0000298900000000, 0.0000477500000000 ] - [ -0.0000606800000000, -0.0006312400000000, -0.0004995800000000 ] - [ 0.0004678200000000, -0.0011868200000000, -0.0001902900000000 ] - [ 0.0005752800000000, 0.0002392900000000, 0.0005248200000000 ] - [ 0.0006546500000000, 0.0002883400000000, 0.0004999300000000 ] - [ -0.0003289400000000, 0.0018575200000000, -0.0005137700000000 ] - [ -0.0002632200000000, 0.0003542100000000, 0.0002942200000000 ] - [ -0.0002614800000000, -0.0001931500000000, 0.0001190600000000 ] - [ 0.0001497700000000, -0.0000760900000000, 0.0000702200000000 ] - [ 0.0000225900000000, 0.0005587500000000, -0.0002691000000000 ] - [ -0.0000518700000000, 0.0005530900000000, -0.0002553000000000 ] - [ 0.0001378300000000, -0.0007380900000000, 0.0010585700000000 ] - [ 0.0000697800000000, -0.0006816900000000, 0.0003086400000000 ] - [ -0.0003693600000000, 0.0002512400000000, 0.0007129600000000 ] - [ 0.0004498100000000, 0.0002726600000000, 0.0006253700000000 ] - [ -0.0001824100000000, 0.0007912000000000, -0.0000319800000000 ] - [ 0.0001502800000000, 0.0007764500000000, -0.0001060400000000 ] - [ -0.0006019200000000, -0.0001385400000000, 0.0003658800000000 ] - [ -0.0006666200000000, -0.0001496100000000, 0.0003408400000000 ] - [ 0.0001999200000000, -0.0006896300000000, 0.0001238600000000 ] - [ -0.0000078800000000, -0.0006427700000000, 0.0000962900000000 ] - [ -0.0000697200000000, 0.0008832800000000, -0.0001819900000000 ] - [ -0.0000946600000000, -0.0005435500000000, -0.0002737000000000 ] - [ 0.0002320000000000, 0.0002121600000000, 0.0001170900000000 ] - [ 0.0005281500000000, 0.0000896700000000, -0.0001707500000000 ] - [ -0.0000163000000000, 0.0000252300000000, 0.0009685800000000 ] - [ -0.0000046700000000, 0.0005283500000000, -0.0000159100000000 ] - [ -0.0000499500000000, -0.0005780200000000, 0.0005710500000000 ] - [ 0.0000593800000000, -0.0005820300000000, 0.0005404200000000 ] - [ 0.0012925300000000, 0.0002852300000000, -0.0000642700000000 ] - [ -0.0003143900000000, 0.0003155200000000, 0.0003317900000000 ] - [ -0.0002046600000000, 0.0000195200000000, 0.0007741400000000 ] - [ -0.0000780000000000, -0.0000090100000000, 0.0006811700000000 ] - [ 0.0000628500000000, 0.0006014500000000, 0.0003580700000000 ] - [ 0.0002153300000000, 0.0003621300000000, 0.0004162700000000 ] - [ -0.0002361900000000, 0.0002462100000000, -0.0013670600000000 ] - [ 0.0001735500000000, -0.0004685300000000, -0.0007403900000000 ] - [ -0.0000374600000000, 0.0005186200000000, 0.0000564800000000 ] - [ 0.0006718400000000, 0.0016158100000000, 0.0003351100000000 ] - [ -0.0005791400000000, -0.0000646000000000, 0.0000125600000000 ] - [ -0.0004876100000000, -0.0000643300000000, 0.0000399900000000 ] - [ 0.0000330800000000, -0.0001200500000000, 0.0011123100000000 ] - [ -0.0003221800000000, -0.0004881400000000, 0.0007892900000000 ] - [ 0.0002470700000000, 0.0006428200000000, -0.0004520100000000 ] - [ 0.0003599500000000, 0.0006513000000000, -0.0004757300000000 ] - [ -0.0008523800000000, 0.0009515600000000, -0.0014390800000000 ] - [ -0.0001719500000000, 0.0001037500000000, -0.0006125400000000 ] - [ 0.0004134000000000, 0.0001965400000000, 0.0002564200000000 ] - [ 0.0005477600000000, 0.0001960700000000, 0.0001787700000000 ] - [ -0.0004680600000000, 0.0000001700000000, -0.0012077400000000 ] - [ -0.0006822200000000, 0.0007495800000000, -0.0005021500000000 ] - [ -0.0004096200000000, -0.0000478000000000, 0.0002217500000000 ] - [ -0.0002924100000000, -0.0001283000000000, 0.0002161300000000 ] - [ 0.0357543700000000, 0.0685249500000000, -0.0758196400000000 ] - [ -0.0004648600000000, -0.0000694400000000, 0.0003260700000000 ] - [ 0.0008036700000000, -0.0002852000000000, -0.0013866100000000 ] - [ 0.0000812900000000, -0.0002425300000000, -0.0008661900000000 ] - [ 0.0457427100000000, 0.0755073100000000, -0.0950574500000000 ] - [ 0.0003354000000000, -0.0001913800000000, -0.0000926100000000 ] - [ 0.0003687200000000, -0.0000085800000000, 0.0000161600000000 ] - [ 0.0007727600000000, -0.0005053800000000, 0.0002469400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004185400000000, -0.0006013600000000, 0.0001512100000000 ] - [ 0.0003407100000000, -0.0009351500000000, 0.0000010100000000 ] - [ 0.0002624700000000, 0.0005597200000000, -0.0003648000000000 ] - [ 0.0003237700000000, 0.0006310700000000, -0.0000012100000000 ] - [ -0.0003412800000000, 0.0005804000000000, 0.0006706300000000 ] - [ -0.0001721400000000, 0.0005785800000000, 0.0006538900000000 ] - [ 0.0009947200000000, 0.0007287400000000, -0.0045763200000000 ] - [ -0.0001862000000000, 0.0009501400000000, -0.0003855400000000 ] - [ -0.0001354800000000, -0.0227761300000000, -0.0028119200000000 ] - [ -0.0004660000000000, -0.0006500900000000, 0.0002559400000000 ] - [ -0.0001629400000000, -0.0025078600000000, 0.0030493000000000 ] - [ -0.0003723900000000, 0.0006107500000000, 0.0004336700000000 ] - [ 0.0002270500000000, -0.0005336500000000, -0.0000822600000000 ] - [ 0.0002071400000000, -0.0005675400000000, -0.0000965600000000 ] - [ -0.0027868000000000, -0.0000152400000000, -0.0017960000000000 ] - [ 0.0021246100000000, 0.0011841700000000, -0.0025543600000000 ] - [ -0.0005027800000000, -0.0006944600000000, 0.0011348800000000 ] - [ -0.0000396000000000, -0.0007135600000000, 0.0009182100000000 ] - [ -0.0002042600000000, -0.0008791300000000, 0.0002527000000000 ] - [ 0.0002502900000000, -0.0007821100000000, 0.0001867700000000 ] - [ -0.0000390400000000, 0.0006624400000000, 0.0004737300000000 ] - [ -0.0000550300000000, 0.0007759800000000, 0.0003035100000000 ] - [ 0.0003558800000000, -0.0004987800000000, -0.0010782200000000 ] - [ 0.0003119900000000, -0.0004984600000000, -0.0010624400000000 ] - [ -0.0001947800000000, 0.0005424900000000, 0.0002418000000000 ] - [ -0.0000492000000000, 0.0005228500000000, 0.0002946200000000 ] - [ -0.0006731000000000, 0.0002389200000000, 0.0006477000000000 ] - [ 0.0002138300000000, 0.0005473900000000, -0.0002675100000000 ] - [ 0.0000835100000000, -0.0002521200000000, 0.0001346400000000 ] - [ -0.0001302900000000, -0.0002927300000000, 0.0000857600000000 ] - [ -0.0002179800000000, 0.0003558600000000, -0.0000576700000000 ] - [ 0.0011866000000000, 0.0007496500000000, 0.0004752300000000 ] - [ 0.0006310800000000, -0.0016233600000000, 0.0013611100000000 ] - [ -0.0002675900000000, -0.0006664800000000, 0.0001208600000000 ] - [ -0.0000451600000000, 0.0003681800000000, 0.0002082000000000 ] - [ 0.0000905100000000, 0.0003668400000000, 0.0001413600000000 ] - [ -0.0005029600000000, -0.0017243100000000, 0.0008629500000000 ] - [ 0.0000862800000000, -0.0004468500000000, -0.0000487100000000 ] - [ 0.0000592600000000, -0.0003902400000000, 0.0001073400000000 ] - [ 0.0001843300000000, -0.0004949800000000, -0.0000497600000000 ] - [ -0.0007813200000000, 0.0009648000000000, 0.0000943900000000 ] - [ -0.0001585400000000, 0.0003896600000000, 0.0007260900000000 ] - [ 0.0004691200000000, 0.0009985200000000, -0.0004952100000000 ] - [ 0.0001290200000000, 0.0003013500000000, -0.0007883400000000 ] - [ 0.0000851100000000, -0.0000320000000000, 0.0000669000000000 ] - [ -0.0001334700000000, -0.0009855600000000, 0.0008299800000000 ] - [ 0.0002909000000000, -0.0003694900000000, -0.0007526000000000 ] - [ 0.0000519400000000, -0.0005603600000000, -0.0006318000000000 ] - [ 0.0793843500000000, 0.1763620100000000, -0.1659213800000000 ] - [ -0.0005148700000000, 0.0000558000000000, -0.0001066000000000 ] - [ 0.0002636500000000, -0.0002628800000000, -0.0003591500000000 ] - [ 0.0002796700000000, -0.0003694700000000, -0.0003007600000000 ] - [ 0.0009260500000000, 0.0009783000000000, 0.0000649400000000 ] - [ 0.0001773800000000, 0.0001385400000000, -0.0003996600000000 ] - [ 0.0015406100000000, 0.0002930500000000, -0.0016196500000000 ] - [ 0.0005692300000000, -0.0001371300000000, -0.0000474200000000 ] - [ -0.0006929800000000, 0.0000186200000000, -0.0000163300000000 ] - [ -0.0006614800000000, 0.0000013600000000, -0.0001333600000000 ] - [ 0.0003476300000000, 0.0001036200000000, 0.0007010300000000 ] - [ 0.0003398600000000, 0.0001109700000000, 0.0007069500000000 ] - [ 0.0001136900000000, 0.0002531600000000, 0.0002212600000000 ] - [ 0.0001065200000000, 0.0002661600000000, 0.0002411300000000 ] - [ -0.0001234800000000, 0.0003621500000000, 0.0005408100000000 ] - [ 0.0001444200000000, 0.0004043800000000, 0.0005928300000000 ] - [ -0.0000045400000000, 0.0000065600000000, -0.0000512200000000 ] - [ -0.0000064900000000, -0.0000171300000000, -0.0000600700000000 ] - [ -0.0001664200000000, 0.0001422200000000, 0.0003823900000000 ] - [ 0.0002868100000000, -0.0006648300000000, 0.0004799600000000 ] - [ 0.0000364900000000, -0.0000680000000000, 0.0008488600000000 ] - [ -0.0000299500000000, -0.0000608600000000, 0.0008552900000000 ] - [ -0.0002143300000000, 0.0003306500000000, -0.0002091200000000 ] - [ -0.0001721900000000, 0.0004323500000000, -0.0005423600000000 ] - [ 0.0001609600000000, 0.0000100600000000, -0.0006705900000000 ] - [ 0.0001077200000000, 0.0000193600000000, -0.0007218300000000 ] - [ -0.0006923300000000, -0.0015772400000000, -0.0005717000000000 ] - [ -0.0003815900000000, 0.0000840900000000, 0.0001709600000000 ] - [ 0.0000430100000000, -0.0005038300000000, -0.0002654100000000 ] - [ -0.0004968300000000, 0.0000961100000000, -0.0005882100000000 ] - [ 0.0005681200000000, 0.0001131800000000, -0.0000409500000000 ] - [ 0.0004894600000000, 0.0000647600000000, -0.0000154000000000 ] - [ 0.0003614000000000, -0.0007122600000000, 0.0012638900000000 ] - [ 0.0002820700000000, 0.0007687100000000, 0.0004724700000000 ] - [ 0.0001528800000000, -0.0009232500000000, -0.0002108900000000 ] - [ -0.0002596400000000, -0.0010417800000000, -0.0001644500000000 ] - [ -0.0000438900000000, 0.0005733600000000, -0.0004968100000000 ] - [ 0.0000311800000000, 0.0005810400000000, -0.0005106500000000 ] - [ -0.0000437000000000, -0.0005854500000000, -0.0005709600000000 ] - [ 0.0000283900000000, -0.0006406100000000, 0.0001946200000000 ] - [ -0.0001241600000000, 0.0007798600000000, 0.0005706400000000 ] - [ -0.0009424700000000, 0.0007622400000000, 0.0006546600000000 ] - [ 0.0000831800000000, 0.0005334100000000, -0.0004709800000000 ] - [ -0.0002480700000000, 0.0005483800000000, -0.0003974900000000 ] - [ -0.0005221300000000, -0.0002194100000000, -0.0001967500000000 ] - [ -0.0004571400000000, -0.0002080700000000, -0.0001722600000000 ] - [ -0.0000936500000000, -0.0004151200000000, -0.0000317000000000 ] - [ 0.0001128400000000, -0.0004610400000000, -0.0000038300000000 ] - [ -0.0000228100000000, -0.0022235300000000, -0.0003157900000000 ] - [ -0.0000057100000000, -0.0007804500000000, -0.0002287600000000 ] - [ 0.0009193200000000, -0.0005623500000000, 0.0003712700000000 ] - [ 0.0006117300000000, -0.0004443400000000, 0.0006565800000000 ] - [ -0.0000854000000000, 0.0010746600000000, -0.0010453200000000 ] - [ -0.0001010000000000, 0.0005776000000000, -0.0000759600000000 ] - [ 0.0000719300000000, -0.0005518900000000, 0.0001943700000000 ] - [ -0.0000379200000000, -0.0005497100000000, 0.0002242200000000 ] - [ -0.0005200100000000, -0.0003485000000000, -0.0001645800000000 ] - [ 0.0011063100000000, -0.0003793100000000, -0.0005591400000000 ] - [ 0.0000716000000000, -0.0001458700000000, 0.0000804100000000 ] - [ -0.0000548200000000, -0.0001171900000000, 0.0001725900000000 ] - [ 0.0000442900000000, 0.0007165900000000, 0.0001446600000000 ] - [ -0.0001165300000000, 0.0009569600000000, 0.0000869200000000 ] - [ 0.0007373000000000, -0.0013078600000000, 0.0001048600000000 ] - [ 0.0003183900000000, -0.0005729600000000, -0.0005363400000000 ] - [ 0.0001439900000000, 0.0005883200000000, 0.0000353800000000 ] - [ -0.0005642100000000, -0.0004951900000000, -0.0002470100000000 ] - [ -0.0005647200000000, -0.0002866200000000, -0.0004968400000000 ] - [ -0.0006554200000000, -0.0002867300000000, -0.0005243100000000 ] - [ -0.0005288200000000, -0.0009321400000000, 0.0001616300000000 ] - [ -0.0001686800000000, -0.0005541100000000, 0.0004871800000000 ] - [ 0.0002456200000000, 0.0004006700000000, -0.0008258300000000 ] - [ 0.0001310100000000, 0.0003911700000000, -0.0008033300000000 ] - [ -0.0002736200000000, -0.0005887800000000, 0.0016046400000000 ] - [ -0.0009442900000000, 0.0002698500000000, 0.0007812100000000 ] - [ 0.0007111500000000, 0.0001603900000000, -0.0004273500000000 ] - [ 0.0005764600000000, 0.0001614500000000, -0.0003484800000000 ] - [ -0.0006670800000000, 0.0003498400000000, 0.0007329700000000 ] - [ -0.0004670900000000, -0.0004055900000000, 0.0000200900000000 ] - [ -0.0003745600000000, -0.0000051300000000, -0.0000017700000000 ] - [ -0.0004906000000000, 0.0000752100000000, 0.0000025800000000 ] - [ -0.0346837600000000, -0.0666897100000000, 0.0741070100000000 ] - [ 0.0003322700000000, 0.0001962900000000, 0.0005323600000000 ] - [ -0.0006703400000000, 0.0001707900000000, 0.0005312600000000 ] - [ 0.0000479700000000, 0.0001196000000000, 0.0000041000000000 ] - [ -0.0452569600000000, -0.0778671600000000, 0.0962658700000000 ] - [ 0.0007864300000000, -0.0001641000000000, -0.0000772200000000 ] - [ 0.0004139400000000, 0.0000624500000000, -0.0002356000000000 ] - [ 0.0000162500000000, 0.0005447700000000, -0.0004664100000000 ]- atom: 49 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0014416800000000, -0.0005667300000000, -0.0003013500000000 ] - [ 0.0011947800000000, -0.0017432700000000, -0.0022654600000000 ] - [ 0.0001641600000000, 0.0006229200000000, 0.0005621200000000 ] - [ 0.0005167500000000, 0.0008536200000000, 0.0021970200000000 ] - [ -0.0008056800000000, 0.0005626900000000, 0.0018050300000000 ] - [ 0.0001583200000000, 0.0005866300000000, 0.0016096900000000 ] - [ 0.0049983100000000, 0.0165230800000000, 0.0054471700000000 ] - [ -0.0012449700000000, 0.0010045600000000, -0.0014511600000000 ] - [ 0.0077291800000000, -0.0012991100000000, -0.0145156100000000 ] - [ -0.0020484400000000, -0.0006404500000000, -0.0005697300000000 ] - [ 0.0017699700000000, -0.0144930900000000, 0.0067553000000000 ] - [ -0.0014408300000000, 0.0000729200000000, -0.0004532500000000 ] - [ 0.0001139700000000, -0.0004551300000000, 0.0014353800000000 ] - [ 0.0000855100000000, -0.0005788700000000, 0.0014731200000000 ] - [ -0.0097081700000000, -0.0024178700000000, -0.0107483200000000 ] - [ -0.0085476600000000, 0.0056363800000000, -0.0109677500000000 ] - [ -0.0013853700000000, -0.0007657300000000, 0.0031998500000000 ] - [ 0.0008929800000000, -0.0010841100000000, 0.0023103100000000 ] - [ -0.0012411700000000, -0.0006178900000000, 0.0024895900000000 ] - [ 0.0011653400000000, -0.0004527500000000, 0.0016633100000000 ] - [ 0.0000510600000000, 0.0003970400000000, 0.0029316100000000 ] - [ -0.0001925300000000, 0.0007185700000000, 0.0012025700000000 ] - [ 0.0014101900000000, -0.0003859900000000, -0.0031928900000000 ] - [ -0.0011436400000000, -0.0011038700000000, -0.0012938000000000 ] - [ -0.0005803500000000, 0.0003591400000000, 0.0008394000000000 ] - [ 0.0004412300000000, 0.0002849900000000, 0.0010626400000000 ] - [ -0.0050851700000000, 0.0026670300000000, 0.0071693000000000 ] - [ 0.0003405000000000, 0.0009051800000000, -0.0008990500000000 ] - [ 0.0006083800000000, -0.0000922800000000, 0.0009127200000000 ] - [ -0.0004858300000000, -0.0001840200000000, 0.0006394200000000 ] - [ -0.0009810200000000, 0.0007180900000000, -0.0000332600000000 ] - [ 0.0065087400000000, 0.0041112400000000, 0.0059158000000000 ] - [ 0.0058397700000000, -0.0044322600000000, 0.0060977900000000 ] - [ -0.0010996200000000, -0.0008223400000000, 0.0001111100000000 ] - [ -0.0003384100000000, 0.0000825400000000, 0.0012210500000000 ] - [ 0.0002838000000000, 0.0002452000000000, 0.0005616500000000 ] - [ -0.0045020200000000, -0.0029307100000000, 0.0063081700000000 ] - [ 0.0003684100000000, -0.0005747400000000, -0.0006365600000000 ] - [ -0.0003201100000000, -0.0001882600000000, 0.0011074200000000 ] - [ 0.0003879800000000, -0.0004310000000000, 0.0003634700000000 ] - [ 0.0004678100000000, -0.0004522300000000, 0.0008037400000000 ] - [ -0.0003797500000000, 0.0009671900000000, 0.0004146100000000 ] - [ 0.0019205200000000, 0.0035784500000000, 0.0001478800000000 ] - [ 0.0002952700000000, 0.0005650300000000, -0.0007145900000000 ] - [ 0.0009732600000000, -0.0014126900000000, 0.0005562800000000 ] - [ -0.0005865700000000, -0.0000709400000000, 0.0021002500000000 ] - [ 0.0016253000000000, -0.0022207200000000, 0.0000839300000000 ] - [ 0.0000028300000000, -0.0024735500000000, 0.0003582400000000 ] - [ 0.5281849100000000, 0.1826365100000000, -1.1443417100000000 ] - [ -0.0007399400000000, -0.0002322900000000, 0.0020038900000000 ] - [ 0.0006777900000000, -0.0007778900000000, -0.0002957500000000 ] - [ 0.0006637600000000, -0.0013167600000000, 0.0000241800000000 ] - [ 0.0006856000000000, 0.0007904200000000, -0.0009332200000000 ] - [ -0.0000701800000000, -0.0004770300000000, -0.0006994500000000 ] - [ 0.0039338400000000, 0.0022147800000000, -0.0088603700000000 ] - [ 0.0019719300000000, 0.0004006600000000, -0.0033604600000000 ] - [ -0.0015867600000000, 0.0003784900000000, 0.0017899200000000 ] - [ -0.0013556500000000, 0.0002580000000000, 0.0010713300000000 ] - [ -0.0004184400000000, 0.0003827400000000, 0.0021208500000000 ] - [ -0.0003949100000000, 0.0003911800000000, 0.0020586700000000 ] - [ 0.0007002400000000, 0.0014906800000000, 0.0013481400000000 ] - [ 0.0006016200000000, 0.0014620100000000, 0.0013565600000000 ] - [ -0.0001811700000000, 0.0022661700000000, 0.0011235100000000 ] - [ 0.0009860900000000, 0.0013122700000000, 0.0007946300000000 ] - [ 0.0000489100000000, 0.0003376600000000, -0.0002525900000000 ] - [ 0.0000454000000000, 0.0002371900000000, -0.0002789800000000 ] - [ -0.0000613500000000, 0.0000584500000000, 0.0003713300000000 ] - [ 0.0017145100000000, -0.0031754000000000, 0.0011286300000000 ] - [ 0.0004514000000000, 0.0004995800000000, 0.0009631300000000 ] - [ 0.0002761000000000, 0.0007432600000000, 0.0011762000000000 ] - [ -0.0006761800000000, 0.0010679100000000, 0.0007667100000000 ] - [ -0.0011723500000000, 0.0024135900000000, -0.0030800000000000 ] - [ 0.0006431800000000, -0.0001988800000000, -0.0018403800000000 ] - [ 0.0002729500000000, -0.0001242900000000, -0.0020255600000000 ] - [ -0.0000749000000000, -0.0035106800000000, -0.0003794200000000 ] - [ 0.0000181400000000, 0.0004206500000000, 0.0006220800000000 ] - [ -0.0001140600000000, 0.0006026800000000, 0.0001731200000000 ] - [ 0.0002052500000000, -0.0011151600000000, -0.0001662900000000 ] - [ 0.0005805500000000, -0.0003856100000000, -0.0014242800000000 ] - [ 0.0001222100000000, -0.0005239500000000, -0.0012035700000000 ] - [ -0.0024133300000000, -0.0010566300000000, 0.0072641500000000 ] - [ 0.0018016600000000, 0.0031269500000000, 0.0009611400000000 ] - [ 0.0008340300000000, -0.0014885800000000, -0.0008394200000000 ] - [ -0.0010422600000000, -0.0028536500000000, -0.0006407300000000 ] - [ -0.0002629000000000, 0.0004041900000000, -0.0011123900000000 ] - [ 0.0001579900000000, 0.0004344300000000, -0.0011085200000000 ] - [ 0.0000670900000000, -0.0015377200000000, -0.0035711200000000 ] - [ -0.0000962100000000, -0.0007049300000000, -0.0000022300000000 ] - [ 0.0019208700000000, 0.0020476700000000, -0.0011859000000000 ] - [ -0.0050232300000000, 0.0020483900000000, 0.0007137800000000 ] - [ 0.0005087900000000, 0.0000687000000000, -0.0010812900000000 ] - [ -0.0010294900000000, -0.0000120400000000, -0.0008077700000000 ] - [ -0.0003241300000000, -0.0002984600000000, -0.0016300700000000 ] - [ 0.0000071200000000, -0.0002799400000000, -0.0013485000000000 ] - [ -0.0010541500000000, 0.0001828600000000, -0.0006257500000000 ] - [ 0.0005997500000000, -0.0000558400000000, -0.0007018700000000 ] - [ -0.0023690200000000, -0.0017105300000000, -0.0020926400000000 ] - [ 0.0004508600000000, -0.0011744100000000, -0.0001961200000000 ] - [ 0.0003525400000000, 0.0018175400000000, 0.0029183200000000 ] - [ 0.0014237300000000, -0.0013426700000000, 0.0027996000000000 ] - [ -0.0001014700000000, 0.0017247900000000, -0.0039951100000000 ] - [ -0.0002064400000000, 0.0005023500000000, -0.0002673300000000 ] - [ 0.0002303100000000, -0.0007045800000000, -0.0006843100000000 ] - [ -0.0002698200000000, -0.0006923000000000, -0.0004668800000000 ] - [ -0.0043545300000000, -0.0016583000000000, -0.0000796200000000 ] - [ 0.0025486100000000, -0.0012227700000000, -0.0016430600000000 ] - [ 0.0007258900000000, -0.0004719700000000, -0.0014957600000000 ] - [ 0.0000008900000000, -0.0003191800000000, -0.0009476600000000 ] - [ 0.0005024400000000, 0.0018419100000000, -0.0008170700000000 ] - [ -0.0009307800000000, 0.0028728100000000, -0.0006990400000000 ] - [ 0.0009444300000000, 0.0026527200000000, -0.0009850000000000 ] - [ 0.0006441900000000, -0.0008674500000000, -0.0001185200000000 ] - [ 0.0006295300000000, 0.0010682500000000, 0.0000663300000000 ] - [ -0.0021456100000000, 0.0009963100000000, -0.0016570000000000 ] - [ -0.0005181400000000, -0.0009584600000000, -0.0017620200000000 ] - [ -0.0010418800000000, -0.0008955100000000, -0.0018023000000000 ] - [ -0.0017120500000000, -0.0022702700000000, -0.0017082900000000 ] - [ 0.0000302900000000, -0.0007338500000000, -0.0001202500000000 ] - [ 0.0002867200000000, 0.0001148100000000, -0.0016026700000000 ] - [ -0.0003292900000000, -0.0001223900000000, -0.0013603200000000 ] - [ 0.0004804400000000, -0.0035396100000000, 0.0066608600000000 ] - [ -0.0015493400000000, 0.0004841400000000, 0.0047099100000000 ] - [ 0.0013594500000000, 0.0001373600000000, -0.0020869800000000 ] - [ 0.0006453300000000, 0.0001289300000000, -0.0015200600000000 ] - [ -0.0019061200000000, 0.0020066300000000, 0.0042028800000000 ] - [ 0.0009169400000000, -0.0025368800000000, 0.0010126200000000 ] - [ -0.0002424100000000, 0.0002491400000000, -0.0008039700000000 ] - [ -0.0010425000000000, 0.0006819300000000, -0.0005763200000000 ] - [ -0.2752538800000000, -0.0831668200000000, 0.6014190699999999 ] - [ 0.0021426100000000, 0.0005780500000000, 0.0005332800000000 ] - [ -0.0044506000000000, 0.0000970000000000, 0.0051901800000000 ] - [ 0.0008719500000000, 0.0007826300000000, 0.0040739800000000 ] - [ -0.2466331900000000, -0.1027219400000000, 0.5313638500000000 ] - [ 0.0028609000000000, -0.0006481800000000, -0.0000042400000000 ] - [ 0.0007277600000000, 0.0001457200000000, -0.0008942900000000 ] - [ -0.0010641400000000, 0.0017507900000000, -0.0024125300000000 ]- atom: 49 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ 0.0013632900000000, -0.0010614300000000, 0.0005377700000000 ] - [ -0.0012749800000000, 0.0001083100000000, 0.0025017400000000 ] - [ 0.0003864500000000, 0.0005319700000000, -0.0017276100000000 ] - [ 0.0000383800000000, 0.0003090800000000, -0.0033535700000000 ] - [ 0.0003207900000000, 0.0005636800000000, -0.0009123800000000 ] - [ -0.0006422700000000, 0.0005400300000000, -0.0007171500000000 ] - [ -0.0049770500000000, -0.0150256500000000, -0.0057016400000000 ] - [ 0.0013295400000000, 0.0006286600000000, 0.0012134800000000 ] - [ -0.0082111700000000, 0.0001827800000000, 0.0153800700000000 ] - [ 0.0015625200000000, -0.0004881900000000, 0.0014601700000000 ] - [ -0.0023002900000000, 0.0155483800000000, -0.0056017500000000 ] - [ 0.0008830700000000, 0.0010802500000000, 0.0015989100000000 ] - [ 0.0003698400000000, -0.0006729000000000, -0.0023358600000000 ] - [ 0.0003992400000000, -0.0005480700000000, -0.0023563300000000 ] - [ 0.0101770100000000, 0.0035369000000000, 0.0097975300000000 ] - [ 0.0090603500000000, -0.0045225700000000, 0.0101412500000000 ] - [ 0.0008424000000000, -0.0003889700000000, -0.0020436000000000 ] - [ -0.0014529700000000, -0.0000679300000000, -0.0011445200000000 ] - [ 0.0013091100000000, -0.0010182800000000, -0.0027387300000000 ] - [ -0.0010778500000000, -0.0011797200000000, -0.0019210200000000 ] - [ -0.0001332500000000, 0.0012471300000000, -0.0026780500000000 ] - [ 0.0001147300000000, 0.0009164100000000, -0.0009422600000000 ] - [ -0.0008555700000000, -0.0007666700000000, 0.0020468000000000 ] - [ 0.0016939500000000, -0.0000504000000000, 0.0001506600000000 ] - [ 0.0002997600000000, 0.0007085300000000, -0.0005571100000000 ] - [ -0.0007168300000000, 0.0007801600000000, -0.0007801600000000 ] - [ 0.0052806700000000, -0.0015448000000000, -0.0073888300000000 ] - [ -0.0000618500000000, 0.0001627000000000, 0.0006059600000000 ] - [ -0.0006923000000000, -0.0006444000000000, -0.0010015500000000 ] - [ 0.0004056800000000, -0.0005506700000000, -0.0007309600000000 ] - [ 0.0008954500000000, 0.0000160000000000, -0.0000659300000000 ] - [ -0.0065032400000000, -0.0033417800000000, -0.0059750700000000 ] - [ -0.0061948000000000, 0.0034057000000000, -0.0058422600000000 ] - [ 0.0008231800000000, -0.0002443500000000, 0.0001800400000000 ] - [ 0.0004183200000000, 0.0006482100000000, -0.0011308600000000 ] - [ -0.0002023900000000, 0.0004881100000000, -0.0004725200000000 ] - [ 0.0046495100000000, 0.0022630300000000, -0.0062605400000000 ] - [ -0.0002861100000000, -0.0001600600000000, 0.0007360500000000 ] - [ 0.0005996900000000, -0.0008826600000000, -0.0013889900000000 ] - [ -0.0001083400000000, -0.0006376100000000, -0.0006455300000000 ] - [ -0.0006759900000000, 0.0009831900000000, 0.0007710400000000 ] - [ 0.0001737600000000, -0.0004380600000000, 0.0011650200000000 ] - [ -0.0017403500000000, -0.0030994300000000, -0.0017402100000000 ] - [ -0.0000843800000000, -0.0000249400000000, -0.0008623300000000 ] - [ -0.0009763500000000, 0.0014188900000000, -0.0005578200000000 ] - [ 0.0005977000000000, 0.0000519300000000, -0.0021033600000000 ] - [ -0.0014005800000000, 0.0016673900000000, -0.0016529200000000 ] - [ 0.0001998100000000, 0.0019393100000000, -0.0019361500000000 ] - [ -0.5280688000000000, -0.1852046400000000, 1.1408023599999999 ] - [ -0.0002679500000000, 0.0003402600000000, -0.0028158000000000 ] - [ -0.0002675600000000, 0.0003786000000000, -0.0004349100000000 ] - [ -0.0002507500000000, 0.0009163900000000, -0.0007550100000000 ] - [ -0.0002616400000000, -0.0003807500000000, 0.0002114500000000 ] - [ 0.0004809500000000, 0.0008743100000000, -0.0000304700000000 ] - [ -0.0029048100000000, -0.0023106400000000, 0.0096217100000000 ] - [ -0.0009770300000000, -0.0005093400000000, 0.0042076400000000 ] - [ 0.0005791600000000, -0.0004846200000000, -0.0026028200000000 ] - [ 0.0003485200000000, -0.0003648600000000, -0.0018850200000000 ] - [ 0.0014277300000000, -0.0002763100000000, -0.0013109200000000 ] - [ 0.0013998100000000, -0.0002833600000000, -0.0012414500000000 ] - [ -0.0007003800000000, -0.0014919200000000, -0.0013486400000000 ] - [ -0.0006004200000000, -0.0014581600000000, -0.0013528400000000 ] - [ -0.0002229400000000, -0.0026633300000000, -0.0003930400000000 ] - [ -0.0014166500000000, -0.0017368800000000, -0.0000736700000000 ] - [ -0.0000478300000000, -0.0003348200000000, 0.0002530200000000 ] - [ -0.0000437300000000, -0.0002313400000000, 0.0002793700000000 ] - [ -0.0003538400000000, 0.0003484400000000, 0.0003566500000000 ] - [ -0.0020934600000000, 0.0035119600000000, -0.0003857200000000 ] - [ -0.0006535200000000, -0.0010257700000000, 0.0006199900000000 ] - [ -0.0004836600000000, -0.0012754500000000, 0.0004045600000000 ] - [ 0.0006766900000000, -0.0010639800000000, -0.0007644400000000 ] - [ 0.0011697100000000, -0.0024109000000000, 0.0030717200000000 ] - [ -0.0005124200000000, 0.0003265800000000, 0.0009916200000000 ] - [ -0.0001410600000000, 0.0002516600000000, 0.0011701600000000 ] - [ -0.0007198500000000, 0.0035296600000000, 0.0005998500000000 ] - [ -0.0007968300000000, -0.0003624900000000, -0.0003964900000000 ] - [ 0.0000960300000000, -0.0017393100000000, -0.0009361400000000 ] - [ -0.0002157900000000, -0.0000137000000000, -0.0005945400000000 ] - [ 0.0005632400000000, 0.0007353900000000, 0.0019098300000000 ] - [ 0.0010222700000000, 0.0008722800000000, 0.0016830900000000 ] - [ 0.0024321900000000, 0.0021996700000000, -0.0065135500000000 ] - [ -0.0017883300000000, -0.0020041200000000, -0.0001956700000000 ] - [ -0.0009332600000000, 0.0003973900000000, 0.0007454800000000 ] - [ 0.0009360000000000, 0.0017462100000000, 0.0005432500000000 ] - [ 0.0002416100000000, 0.0007239700000000, 0.0003468900000000 ] - [ -0.0001797700000000, 0.0006948300000000, 0.0003405800000000 ] - [ 0.0000443600000000, 0.0002283300000000, 0.0041374800000000 ] - [ 0.0001921400000000, -0.0006225400000000, 0.0005007800000000 ] - [ -0.0023970500000000, -0.0009899800000000, 0.0024697100000000 ] - [ 0.0045318800000000, -0.0010033900000000, 0.0005774600000000 ] - [ -0.0006026200000000, 0.0012477000000000, 0.0005743000000000 ] - [ 0.0009280000000000, 0.0013337800000000, 0.0003064800000000 ] - [ -0.0008000300000000, -0.0000581300000000, 0.0018001100000000 ] - [ -0.0011305400000000, -0.0000776600000000, 0.0015129100000000 ] - [ 0.0011618900000000, -0.0012894500000000, 0.0007141700000000 ] - [ -0.0005010600000000, -0.0010516500000000, 0.0007921700000000 ] - [ 0.0022717100000000, 0.0003888000000000, 0.0015861500000000 ] - [ -0.0005496900000000, -0.0001496600000000, -0.0003119800000000 ] - [ 0.0007875200000000, -0.0021631700000000, -0.0024150200000000 ] - [ -0.0002777100000000, 0.0009909000000000, -0.0023081300000000 ] - [ -0.0000192000000000, -0.0005934000000000, 0.0038343100000000 ] - [ 0.0001041700000000, 0.0005985900000000, 0.0001806400000000 ] - [ -0.0002094500000000, -0.0004297600000000, 0.0014480900000000 ] - [ 0.0002917400000000, -0.0004415600000000, 0.0012333300000000 ] - [ 0.0051382600000000, 0.0016052100000000, -0.0001559900000000 ] - [ -0.0017839700000000, 0.0011872100000000, 0.0014250700000000 ] - [ -0.0008586800000000, 0.0003456900000000, 0.0023478200000000 ] - [ -0.0001306000000000, 0.0001924500000000, 0.0017973000000000 ] - [ -0.0004110400000000, -0.0005055600000000, 0.0013225100000000 ] - [ 0.0010306600000000, -0.0015504000000000, 0.0012089500000000 ] - [ -0.0004497600000000, -0.0037039300000000, -0.0003058700000000 ] - [ -0.0001579300000000, -0.0001662700000000, -0.0011690600000000 ] - [ -0.0005233900000000, 0.0000378900000000, 0.0000302200000000 ] - [ 0.0022431900000000, 0.0000938300000000, 0.0017504500000000 ] - [ -0.0006248200000000, 0.0006064300000000, 0.0012796700000000 ] - [ -0.0001046000000000, 0.0005419300000000, 0.0013157600000000 ] - [ 0.0012444400000000, 0.0012733500000000, 0.0029995600000000 ] - [ -0.0005227200000000, -0.0003044000000000, 0.0013964300000000 ] - [ 0.0002004600000000, 0.0009180800000000, 0.0003223000000000 ] - [ 0.0008171600000000, 0.0011562700000000, 0.0000812500000000 ] - [ -0.0015989600000000, 0.0038856500000000, -0.0064557000000000 ] - [ 0.0004547800000000, -0.0001078400000000, -0.0045303000000000 ] - [ -0.0002342500000000, 0.0002214000000000, 0.0019178700000000 ] - [ 0.0004775700000000, 0.0002300600000000, 0.0013536000000000 ] - [ 0.0007613500000000, -0.0016686500000000, -0.0047101300000000 ] - [ -0.0020586800000000, 0.0028788800000000, -0.0015009800000000 ] - [ -0.0005379600000000, -0.0003102300000000, 0.0010212000000000 ] - [ 0.0002621300000000, -0.0007421800000000, 0.0007926500000000 ] - [ 0.2544472400000000, 0.0756075900000000, -0.5581314200000000 ] - [ -0.0022681100000000, -0.0004485700000000, 0.0003261900000000 ] - [ 0.0045518300000000, -0.0002092000000000, -0.0060407500000000 ] - [ -0.0007363500000000, -0.0009098500000000, -0.0049584400000000 ] - [ 0.2673142600000000, 0.1127861500000000, -0.5712027600000000 ] - [ -0.0017440100000000, 0.0002932300000000, -0.0001720000000000 ] - [ 0.0000565700000000, -0.0000883900000000, 0.0006795800000000 ] - [ 0.0018229200000000, -0.0016516400000000, 0.0021850200000000 ]- atom: 51 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0000068300000000, -0.0009507600000000, 0.0006597100000000 ] - [ -0.0000652500000000, -0.0005433600000000, 0.0005338000000000 ] - [ 0.0006127000000000, 0.0007063900000000, -0.0002587300000000 ] - [ 0.0000673200000000, 0.0010623100000000, -0.0006947100000000 ] - [ -0.0023723200000000, 0.0025513900000000, 0.0056825800000000 ] - [ -0.0000075500000000, 0.0008411000000000, 0.0003008400000000 ] - [ -0.0000719700000000, 0.0001243700000000, -0.0001137800000000 ] - [ 0.0001539100000000, 0.0005673800000000, -0.0000055400000000 ] - [ -0.0006568300000000, -0.0001862600000000, 0.0003613600000000 ] - [ 0.0002191100000000, -0.0003718400000000, 0.0010720300000000 ] - [ -0.0003467600000000, 0.0004577300000000, 0.0007955800000000 ] - [ -0.0001706000000000, 0.0005715500000000, 0.0009210500000000 ] - [ 0.0005758600000000, -0.0009759800000000, -0.0006606900000000 ] - [ 0.0000662600000000, -0.0014492700000000, -0.0006347400000000 ] - [ 0.0002923900000000, 0.0005002100000000, -0.0002907200000000 ] - [ 0.0001190400000000, -0.0000846400000000, -0.0000500500000000 ] - [ -0.0009433200000000, -0.0071376000000000, -0.0038821800000000 ] - [ -0.0001127600000000, -0.0005497000000000, 0.0001671800000000 ] - [ -0.0002059000000000, -0.0009139100000000, -0.0000260100000000 ] - [ 0.0001795500000000, -0.0008514900000000, 0.0000080900000000 ] - [ 0.0104859200000000, 0.0056091600000000, 0.0013143100000000 ] - [ 0.0106476300000000, 0.0022600700000000, -0.0045421300000000 ] - [ 0.0008222600000000, -0.0004864100000000, -0.0007046100000000 ] - [ -0.0028151600000000, 0.0031202400000000, -0.0037313100000000 ] - [ 0.0000015900000000, 0.0003801000000000, 0.0005130400000000 ] - [ -0.0002325300000000, 0.0004765200000000, 0.0003162700000000 ] - [ 0.0000349900000000, 0.0005934800000000, 0.0000514500000000 ] - [ 0.0002535600000000, 0.0004907400000000, 0.0001224000000000 ] - [ 0.0001395200000000, -0.0006124000000000, -0.0001853800000000 ] - [ -0.0025565600000000, -0.0033292400000000, -0.0004850400000000 ] - [ 0.0000656000000000, 0.0004121100000000, 0.0001846400000000 ] - [ -0.0001539500000000, 0.0003260600000000, 0.0001991600000000 ] - [ -0.0002813700000000, -0.0002941200000000, 0.0001452500000000 ] - [ 0.0028869400000000, -0.0029776300000000, 0.0023476700000000 ] - [ -0.0001151800000000, 0.0002277000000000, 0.0003524000000000 ] - [ 0.0001586300000000, 0.0003179400000000, 0.0002396300000000 ] - [ -0.0028387400000000, -0.0010996200000000, 0.0022399300000000 ] - [ 0.0003109900000000, -0.0003999100000000, 0.0000841500000000 ] - [ 0.0028448000000000, -0.0035463500000000, 0.0001768700000000 ] - [ 0.0000423500000000, -0.0006205900000000, -0.0004652400000000 ] - [ -0.0000371700000000, 0.0009445900000000, 0.0001492400000000 ] - [ -0.0004324900000000, 0.0023860400000000, 0.0001970200000000 ] - [ -0.0002225300000000, -0.0013796900000000, -0.0016025400000000 ] - [ -0.0003650700000000, -0.0004696700000000, -0.0012470700000000 ] - [ -0.0000041900000000, -0.0000642700000000, -0.0000389300000000 ] - [ 0.0001000000000000, -0.0005018000000000, 0.0001595100000000 ] - [ 0.0002304900000000, -0.0005039700000000, -0.0007295100000000 ] - [ 0.0002209800000000, -0.0004660300000000, -0.0007368600000000 ] - [ -0.0006427000000000, -0.0000029500000000, 0.0000421300000000 ] - [ -0.0007480100000000, -0.0000197300000000, -0.0000072400000000 ] - [ -0.3582974000000000, 0.4228350800000000, -0.1766892000000000 ] - [ 0.0003381500000000, -0.0009262600000000, 0.0000016500000000 ] - [ 0.0002910100000000, 0.0003140600000000, -0.0003448000000000 ] - [ 0.0003689800000000, 0.0005383800000000, -0.0002917400000000 ] - [ 0.0003996700000000, -0.0000940900000000, 0.0005294000000000 ] - [ -0.0007604900000000, -0.0005499000000000, 0.0019644100000000 ] - [ -0.0007506800000000, 0.0006710600000000, 0.0000209800000000 ] - [ -0.0003982100000000, -0.0000830500000000, -0.0006654900000000 ] - [ 0.0004196900000000, 0.0001285500000000, 0.0003738900000000 ] - [ 0.0005216100000000, 0.0003991600000000, 0.0016990900000000 ] - [ 0.0003087000000000, -0.0004049900000000, 0.0004405600000000 ] - [ -0.0002625600000000, -0.0004445400000000, -0.0004250300000000 ] - [ -0.0002632500000000, -0.0002795300000000, 0.0003616200000000 ] - [ -0.0031397000000000, -0.0040784600000000, -0.0014963100000000 ] - [ 0.0001930100000000, 0.0007426600000000, 0.0000265900000000 ] - [ -0.0000058900000000, -0.0004068000000000, 0.0003028700000000 ] - [ -0.0001440100000000, 0.0000576400000000, 0.0003928800000000 ] - [ -0.0001302600000000, 0.0000919000000000, 0.0003665200000000 ] - [ 0.0007565000000000, 0.0011023900000000, 0.0010677900000000 ] - [ 0.0000495500000000, 0.0000695800000000, 0.0009050100000000 ] - [ 0.0000612800000000, -0.0000998400000000, 0.0000980900000000 ] - [ 0.0000001700000000, -0.0000342400000000, 0.0000747600000000 ] - [ -0.0005472900000000, 0.0001731300000000, -0.0006446000000000 ] - [ 0.0004565400000000, -0.0002335600000000, -0.0016004800000000 ] - [ -0.0002954600000000, -0.0000801000000000, -0.0000481000000000 ] - [ -0.0005677300000000, -0.0001385400000000, -0.0002169500000000 ] - [ -0.0001747400000000, -0.0005814700000000, -0.0005123600000000 ] - [ -0.0003156400000000, -0.0003534100000000, -0.0000259100000000 ] - [ 0.0015868400000000, -0.0023714100000000, 0.0015084500000000 ] - [ 0.0000567600000000, 0.0005233300000000, 0.0010227200000000 ] - [ 0.0000660400000000, 0.0009224400000000, 0.0002803600000000 ] - [ -0.0000307200000000, 0.0006225700000000, 0.0002741000000000 ] - [ 0.0009017300000000, 0.0037881700000000, 0.0022002800000000 ] - [ -0.0001770900000000, -0.0004489900000000, 0.0000133700000000 ] - [ -0.0003816700000000, 0.0000996400000000, -0.0007824400000000 ] - [ 0.0005688300000000, -0.0001191200000000, 0.0013160100000000 ] - [ 0.0023054400000000, 0.0003142500000000, 0.0011017800000000 ] - [ -0.0001596500000000, 0.0002422800000000, 0.0004917200000000 ] - [ -0.0003457700000000, 0.0006364700000000, 0.0004210400000000 ] - [ -0.0002561200000000, 0.0006916200000000, 0.0004119700000000 ] - [ -0.0005862100000000, -0.0002163600000000, -0.0006985400000000 ] - [ -0.0001358100000000, 0.0005047900000000, -0.0004707400000000 ] - [ -0.0010387800000000, 0.0001412300000000, -0.0000296500000000 ] - [ 0.0017087700000000, -0.0004490400000000, -0.0007791000000000 ] - [ -0.0006052700000000, -0.0003952200000000, 0.0001810800000000 ] - [ 0.1706118000000000, -0.2153856900000000, 0.0961275500000000 ] - [ -0.0004325100000000, -0.0011171600000000, 0.0007250900000000 ] - [ 0.0013748700000000, -0.0019201300000000, 0.0008337700000000 ] - [ 0.0005858900000000, -0.0001410900000000, 0.0000850900000000 ] - [ 0.0005179400000000, -0.0002006600000000, -0.0000128300000000 ] - [ -0.0000134400000000, 0.0005968600000000, -0.0001229800000000 ] - [ -0.0001969900000000, 0.0005802500000000, -0.0002309600000000 ] - [ -0.0002481300000000, -0.0004980400000000, 0.0010794500000000 ] - [ -0.0002590700000000, -0.0010041300000000, 0.0004644700000000 ] - [ 0.0004230100000000, 0.0000293300000000, -0.0001320600000000 ] - [ 0.0014408700000000, 0.0045845600000000, -0.0003069600000000 ] - [ -0.0002156300000000, 0.0030580200000000, 0.0000948400000000 ] - [ -0.0000883000000000, 0.0001025700000000, 0.0006617100000000 ] - [ 0.0000285900000000, 0.0007928600000000, 0.0000317100000000 ] - [ -0.0000407900000000, 0.0007476300000000, 0.0000802000000000 ] - [ 0.0007509300000000, -0.0017072500000000, 0.0000479600000000 ] - [ -0.0003331700000000, -0.0024055700000000, -0.0006182800000000 ] - [ -0.0001201500000000, 0.0004237500000000, -0.0002209300000000 ] - [ 0.0000987400000000, 0.0005132800000000, -0.0001280500000000 ] - [ -0.0008234200000000, -0.0002992000000000, -0.0007809900000000 ] - [ -0.0004520900000000, 0.0001907600000000, 0.0000949000000000 ] - [ 0.0001093800000000, 0.0009887800000000, 0.0014101900000000 ] - [ -0.0002309200000000, 0.0004540500000000, 0.0009578200000000 ] - [ 0.0003625800000000, -0.0003234600000000, -0.0025019000000000 ] - [ 0.0000953200000000, 0.0003490800000000, -0.0008583700000000 ] - [ -0.0006287600000000, 0.0001602100000000, -0.0001126800000000 ] - [ 0.0004841100000000, 0.0005118400000000, -0.0016414200000000 ] - [ 0.0007821700000000, 0.0005818100000000, -0.0004932200000000 ] - [ 0.0003928700000000, 0.0002852500000000, 0.0000080800000000 ] - [ -0.0006346100000000, 0.0003101000000000, -0.0002834500000000 ] - [ -0.0005620100000000, 0.0004768800000000, -0.0003142200000000 ] - [ 0.1690974400000000, -0.2077717900000000, 0.0807953000000000 ] - [ -0.0010639200000000, 0.0000227100000000, 0.0000749000000000 ] - [ 0.0001246900000000, 0.0001551300000000, 0.0000019100000000 ] - [ -0.0000523100000000, 0.0001833200000000, 0.0000696500000000 ] - [ 0.0000544400000000, -0.0000878700000000, -0.0005193600000000 ] - [ 0.0001721100000000, -0.0004549100000000, -0.0033099300000000 ] - [ 0.0010036800000000, 0.0000203400000000, -0.0004786700000000 ] - [ 0.0004415500000000, -0.0000260900000000, -0.0004826200000000 ] - [ 0.0002954000000000, 0.0001326800000000, -0.0002798000000000 ] - [ 0.0004323300000000, 0.0001315700000000, -0.0001867500000000 ]- atom: 51 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0000715500000000, -0.0006856100000000, -0.0003992000000000 ] - [ -0.0000142700000000, -0.0010936300000000, -0.0002801700000000 ] - [ -0.0000567100000000, 0.0004470400000000, -0.0009061200000000 ] - [ 0.0004801100000000, 0.0000961900000000, -0.0004691900000000 ] - [ 0.0019014900000000, -0.0014238700000000, -0.0047814900000000 ] - [ -0.0004812200000000, 0.0002925900000000, 0.0005860200000000 ] - [ 0.0001617800000000, 0.0015229700000000, -0.0001397900000000 ] - [ -0.0000854700000000, 0.0010719400000000, -0.0002449300000000 ] - [ 0.0001759600000000, -0.0009493100000000, 0.0005364800000000 ] - [ -0.0007089400000000, -0.0007617600000000, -0.0001729000000000 ] - [ -0.0002039300000000, 0.0006999000000000, 0.0003694600000000 ] - [ -0.0003829000000000, 0.0005851500000000, 0.0002446100000000 ] - [ -0.0000814400000000, -0.0001524900000000, -0.0002303600000000 ] - [ 0.0004100200000000, 0.0003122600000000, -0.0002596600000000 ] - [ 0.0001946100000000, 0.0006332200000000, -0.0005980800000000 ] - [ 0.0003648400000000, 0.0012179600000000, -0.0008488600000000 ] - [ 0.0003747600000000, 0.0059698100000000, 0.0050555600000000 ] - [ -0.0004336400000000, -0.0006091300000000, 0.0009939100000000 ] - [ 0.0002860700000000, -0.0007254800000000, -0.0002240100000000 ] - [ -0.0001003800000000, -0.0007858000000000, -0.0002667100000000 ] - [ -0.0107976100000000, -0.0040806800000000, -0.0011326400000000 ] - [ -0.0105134700000000, -0.0006175200000000, 0.0046866300000000 ] - [ -0.0002718600000000, -0.0006682800000000, -0.0004524900000000 ] - [ 0.0033696900000000, -0.0042975400000000, 0.0025312200000000 ] - [ -0.0002764500000000, 0.0006902300000000, -0.0002258600000000 ] - [ -0.0000470300000000, 0.0005928400000000, -0.0000310200000000 ] - [ 0.0002435100000000, 0.0004756600000000, -0.0003355200000000 ] - [ 0.0000243800000000, 0.0005789700000000, -0.0004082800000000 ] - [ -0.0002227300000000, -0.0001175800000000, 0.0000893000000000 ] - [ 0.0024688600000000, 0.0026167900000000, 0.0003828400000000 ] - [ -0.0001449600000000, 0.0003222500000000, -0.0002768100000000 ] - [ 0.0000744700000000, 0.0004083200000000, -0.0002932100000000 ] - [ 0.0000047200000000, -0.0007792000000000, 0.0001402000000000 ] - [ -0.0031758100000000, 0.0018640900000000, -0.0020049600000000 ] - [ 0.0001920700000000, 0.0005068100000000, -0.0002571000000000 ] - [ -0.0000798900000000, 0.0004169700000000, -0.0001487600000000 ] - [ 0.0029199700000000, 0.0003441700000000, -0.0021336700000000 ] - [ -0.0002279200000000, -0.0003371300000000, 0.0000111300000000 ] - [ -0.0025533800000000, 0.0025536800000000, -0.0004739400000000 ] - [ 0.0002352400000000, -0.0004483500000000, 0.0001760500000000 ] - [ -0.0001637100000000, -0.0004298800000000, 0.0014385600000000 ] - [ 0.0002231600000000, -0.0018377600000000, 0.0013756300000000 ] - [ 0.0004334000000000, 0.0019231500000000, 0.0000291200000000 ] - [ 0.0005452200000000, 0.0009601500000000, -0.0003534500000000 ] - [ 0.0000033900000000, 0.0000669300000000, 0.0000374600000000 ] - [ -0.0000998400000000, 0.0004989400000000, -0.0001581000000000 ] - [ -0.0000203400000000, -0.0000341700000000, -0.0008465400000000 ] - [ -0.0000130000000000, -0.0000678400000000, -0.0008402900000000 ] - [ -0.0003629800000000, 0.0001102100000000, -0.0008616000000000 ] - [ -0.0002623200000000, 0.0001260500000000, -0.0008008600000000 ] - [ 0.3587494100000000, -0.4231006500000000, 0.1756733300000000 ] - [ 0.0000743200000000, 0.0005246500000000, -0.0007320600000000 ] - [ 0.0001217500000000, 0.0000864700000000, -0.0003861800000000 ] - [ 0.0000431400000000, -0.0001389800000000, -0.0004393200000000 ] - [ 0.0006035300000000, -0.0000139900000000, 0.0002924700000000 ] - [ 0.0017732600000000, 0.0004445500000000, -0.0011543700000000 ] - [ -0.0002730800000000, -0.0007713400000000, -0.0008121500000000 ] - [ -0.0006060300000000, -0.0000249000000000, -0.0001539700000000 ] - [ 0.0006090000000000, -0.0000303100000000, 0.0004006500000000 ] - [ 0.0004846300000000, -0.0002937400000000, -0.0008778800000000 ] - [ -0.0003130100000000, 0.0004046500000000, -0.0004367600000000 ] - [ 0.0002555400000000, 0.0004350100000000, 0.0004139800000000 ] - [ -0.0001454600000000, -0.0001138800000000, 0.0003720600000000 ] - [ 0.0027321100000000, 0.0036875800000000, 0.0022376000000000 ] - [ -0.0001926700000000, -0.0007461800000000, -0.0000255800000000 ] - [ 0.0000047300000000, 0.0004031600000000, -0.0003026400000000 ] - [ -0.0002678400000000, 0.0003406500000000, 0.0003387400000000 ] - [ -0.0002823300000000, 0.0003091600000000, 0.0003638100000000 ] - [ -0.0009586600000000, -0.0016272500000000, 0.0005117700000000 ] - [ -0.0002577200000000, -0.0006049200000000, 0.0006723900000000 ] - [ -0.0000594000000000, 0.0000948700000000, -0.0000940600000000 ] - [ -0.0000019300000000, 0.0000400500000000, -0.0000805200000000 ] - [ 0.0006620900000000, -0.0000428100000000, -0.0001910400000000 ] - [ -0.0003196700000000, 0.0003581100000000, 0.0007388300000000 ] - [ -0.0004871400000000, 0.0001333900000000, 0.0002642300000000 ] - [ -0.0002139600000000, 0.0001916800000000, 0.0004345500000000 ] - [ 0.0001538400000000, -0.0005520800000000, -0.0002579200000000 ] - [ 0.0002878300000000, -0.0007784300000000, -0.0007346800000000 ] - [ -0.0004681500000000, 0.0027276600000000, -0.0010370200000000 ] - [ 0.0010881400000000, -0.0001627900000000, -0.0005289400000000 ] - [ -0.0000469600000000, 0.0002116100000000, 0.0004850900000000 ] - [ 0.0000540200000000, 0.0005091200000000, 0.0004906700000000 ] - [ -0.0010291900000000, -0.0049009000000000, -0.0022902600000000 ] - [ 0.0000718000000000, -0.0006608200000000, -0.0001065300000000 ] - [ 0.0003609800000000, 0.0010345400000000, 0.0000193500000000 ] - [ -0.0005781800000000, 0.0012542700000000, -0.0020784600000000 ] - [ -0.0022288500000000, -0.0016395600000000, -0.0006024400000000 ] - [ 0.0002450600000000, -0.0015258400000000, 0.0000263200000000 ] - [ -0.0001466600000000, 0.0004077200000000, 0.0008537200000000 ] - [ -0.0002350700000000, 0.0003508000000000, 0.0008664900000000 ] - [ 0.0004835000000000, 0.0015344400000000, 0.0001910200000000 ] - [ 0.0000390200000000, 0.0008195100000000, -0.0000315100000000 ] - [ -0.0000730700000000, -0.0005018500000000, 0.0002341300000000 ] - [ -0.0028129400000000, 0.0000903400000000, 0.0009495400000000 ] - [ 0.0007117000000000, -0.0007085500000000, -0.0000880800000000 ] - [ -0.1711507700000000, 0.2077668800000000, -0.0931159400000000 ] - [ 0.0003506500000000, -0.0002042800000000, -0.0012511100000000 ] - [ -0.0014582700000000, 0.0005849000000000, -0.0013349700000000 ] - [ 0.0005562200000000, -0.0002096200000000, 0.0003960000000000 ] - [ 0.0006283100000000, -0.0001561700000000, 0.0005016500000000 ] - [ -0.0000905200000000, 0.0005086500000000, 0.0000307600000000 ] - [ 0.0000911200000000, 0.0005258600000000, 0.0001391600000000 ] - [ 0.0002743800000000, -0.0006301000000000, -0.0003192800000000 ] - [ 0.0002792000000000, -0.0001257900000000, 0.0003026800000000 ] - [ 0.0003555700000000, -0.0000859000000000, -0.0000887400000000 ] - [ -0.0006439000000000, -0.0046595300000000, 0.0001041800000000 ] - [ 0.0000738800000000, -0.0031743900000000, 0.0007342100000000 ] - [ -0.0000436300000000, -0.0002281200000000, 0.0001968000000000 ] - [ 0.0000681800000000, 0.0005324200000000, 0.0004686500000000 ] - [ 0.0001394100000000, 0.0005760000000000, 0.0004240700000000 ] - [ -0.0002767500000000, 0.0006746200000000, -0.0013315500000000 ] - [ 0.0008103600000000, 0.0013466600000000, -0.0006689900000000 ] - [ 0.0002253900000000, 0.0006830100000000, 0.0003135400000000 ] - [ 0.0000064700000000, 0.0005920900000000, 0.0002196600000000 ] - [ -0.0003225600000000, -0.0000569100000000, 0.0002909400000000 ] - [ -0.0006860400000000, -0.0005364600000000, -0.0005714000000000 ] - [ -0.0006051000000000, -0.0020417400000000, -0.0001353400000000 ] - [ -0.0002365600000000, -0.0014741400000000, 0.0003314400000000 ] - [ 0.0001290200000000, 0.0013622000000000, 0.0012145100000000 ] - [ 0.0003963800000000, 0.0006936100000000, -0.0004167900000000 ] - [ -0.0004936600000000, 0.0001977000000000, 0.0002765000000000 ] - [ -0.0016141900000000, -0.0001558100000000, 0.0018167200000000 ] - [ 0.0003548100000000, -0.0002256400000000, 0.0003017300000000 ] - [ 0.0007303400000000, 0.0000719100000000, -0.0001734700000000 ] - [ -0.0005107900000000, 0.0000408100000000, -0.0002058500000000 ] - [ -0.0005725600000000, -0.0001231400000000, -0.0001633800000000 ] - [ -0.1692384900000000, 0.2142071300000000, -0.0830524900000000 ] - [ 0.0002789100000000, -0.0000764100000000, 0.0001449200000000 ] - [ -0.0002588800000000, -0.0000296100000000, 0.0008541400000000 ] - [ -0.0000773400000000, -0.0000558400000000, 0.0007818100000000 ] - [ 0.0000792400000000, -0.0000358600000000, -0.0003421300000000 ] - [ -0.0000302200000000, 0.0003290500000000, 0.0024632000000000 ] - [ 0.0001149100000000, -0.0003784400000000, 0.0003127600000000 ] - [ 0.0006850100000000, -0.0003284400000000, 0.0003052200000000 ] - [ 0.0004848200000000, -0.0000785900000000, 0.0000609200000000 ] - [ 0.0003522800000000, -0.0000789900000000, -0.0000307300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001042700000000, -0.0005981500000000, -0.0007591100000000 ] - [ 0.0000009300000000, -0.0013116500000000, -0.0005887500000000 ] - [ -0.0001082500000000, 0.0000093200000000, -0.0012945200000000 ] - [ 0.0006399800000000, -0.0003407000000000, -0.0001340000000000 ] - [ 0.0040221600000000, -0.0030616500000000, -0.0115688900000000 ] - [ -0.0014797000000000, -0.0000848300000000, 0.0006857100000000 ] - [ 0.0000619200000000, 0.0021750900000000, 0.0002115800000000 ] - [ -0.0000098500000000, 0.0014149400000000, -0.0006910600000000 ] - [ 0.0004951000000000, -0.0012226700000000, 0.0008666200000000 ] - [ -0.0011344200000000, -0.0009719200000000, -0.0009129000000000 ] - [ -0.0001517800000000, 0.0007864600000000, 0.0003152700000000 ] - [ -0.0004492000000000, 0.0006279200000000, -0.0000570100000000 ] - [ -0.0001472100000000, 0.0006731300000000, -0.0003976600000000 ] - [ 0.0004838100000000, 0.0010735200000000, 0.0001090600000000 ] - [ 0.0000295700000000, 0.0006945100000000, -0.0007174500000000 ] - [ 0.0005580300000000, 0.0017416700000000, -0.0009314900000000 ] - [ 0.0016841800000000, 0.0137886600000000, 0.0079310700000000 ] - [ -0.0013404400000000, -0.0004846100000000, 0.0013703600000000 ] - [ 0.0004552400000000, -0.0005835100000000, -0.0001221300000000 ] - [ -0.0004110000000000, -0.0007111900000000, -0.0003547500000000 ] - [ -0.0038573800000000, -0.0080510000000000, 0.0018853800000000 ] - [ -0.0077660200000000, -0.0044179000000000, 0.0067422200000000 ] - [ -0.0010256100000000, -0.0007646100000000, -0.0002819500000000 ] - [ 0.0039223300000000, -0.0040554700000000, 0.0141550600000000 ] - [ -0.0002600800000000, 0.0008724500000000, -0.0006084900000000 ] - [ -0.0000365700000000, 0.0006329800000000, -0.0001429600000000 ] - [ 0.0003119600000000, 0.0004316800000000, -0.0004347700000000 ] - [ -0.0000552700000000, 0.0006051600000000, -0.0006310800000000 ] - [ -0.0007126000000000, 0.0001864400000000, 0.0002816600000000 ] - [ 0.0046835600000000, 0.0072352000000000, 0.0000108800000000 ] - [ -0.0002238400000000, 0.0002779100000000, -0.0004584600000000 ] - [ 0.0001631800000000, 0.0004436500000000, -0.0004444700000000 ] - [ -0.0000626200000000, -0.0010605900000000, 0.0002823500000000 ] - [ -0.0040092700000000, 0.0043906000000000, -0.0041336100000000 ] - [ 0.0003344100000000, 0.0006154900000000, -0.0004481300000000 ] - [ -0.0002554500000000, 0.0005032200000000, -0.0004173200000000 ] - [ 0.0055168900000000, 0.0028978600000000, -0.0051665900000000 ] - [ -0.0007580100000000, -0.0003333700000000, -0.0001866000000000 ] - [ -0.0032341800000000, 0.0063594000000000, -0.0006889000000000 ] - [ 0.0001094700000000, -0.0004043500000000, 0.0004002400000000 ] - [ 0.0007229100000000, -0.0018210800000000, 0.0021092500000000 ] - [ 0.0020058000000000, -0.0048810300000000, 0.0030374900000000 ] - [ 0.0005546200000000, 0.0027059200000000, 0.0004782800000000 ] - [ 0.0021560400000000, 0.0032179100000000, 0.0008645000000000 ] - [ 0.0000089000000000, 0.0001282300000000, 0.0000698300000000 ] - [ -0.0001482100000000, 0.0007201300000000, -0.0002308700000000 ] - [ -0.0001134400000000, 0.0001403000000000, -0.0008985500000000 ] - [ -0.0000952700000000, 0.0000666700000000, -0.0008759400000000 ] - [ -0.0003638200000000, 0.0001137100000000, -0.0009712400000000 ] - [ 0.0000970000000000, 0.0002214300000000, -0.0013738400000000 ] - [ 0.4240890700000000, -0.9310621600000000, 0.3275814400000000 ] - [ -0.0005208200000000, 0.0027012200000000, -0.0017635700000000 ] - [ 0.0000922200000000, 0.0000546700000000, -0.0004018400000000 ] - [ -0.0001327800000000, -0.0004901100000000, -0.0005091300000000 ] - [ 0.0006488900000000, 0.0000050700000000, 0.0003045400000000 ] - [ 0.0026100500000000, 0.0008190300000000, -0.0023745600000000 ] - [ -0.0003091600000000, -0.0008450600000000, -0.0010071600000000 ] - [ -0.0007392700000000, 0.0000089100000000, 0.0002250400000000 ] - [ 0.0018796200000000, -0.0004995500000000, -0.0017015200000000 ] - [ 0.0003052800000000, -0.0005429500000000, -0.0012915300000000 ] - [ -0.0004373800000000, 0.0018692200000000, -0.0003716500000000 ] - [ 0.0010183400000000, 0.0013050900000000, 0.0013793900000000 ] - [ -0.0001237400000000, -0.0001368500000000, 0.0003317900000000 ] - [ 0.0036799100000000, 0.0054472500000000, 0.0030799800000000 ] - [ -0.0006023300000000, -0.0023912100000000, -0.0000397700000000 ] - [ 0.0000377100000000, 0.0013851300000000, -0.0004220800000000 ] - [ -0.0003489200000000, 0.0005112600000000, 0.0003260700000000 ] - [ -0.0003161400000000, 0.0003831100000000, 0.0003575200000000 ] - [ -0.0015658800000000, -0.0026067700000000, 0.0002970100000000 ] - [ -0.0004345300000000, -0.0010134100000000, 0.0005167100000000 ] - [ -0.0000606100000000, 0.0000825600000000, -0.0000875800000000 ] - [ 0.0000015000000000, 0.0000011200000000, -0.0000918900000000 ] - [ 0.0004476900000000, 0.0001146700000000, 0.0010713300000000 ] - [ -0.0004440800000000, 0.0005428600000000, 0.0013066400000000 ] - [ -0.0005671800000000, 0.0001938700000000, 0.0002913600000000 ] - [ -0.0000562300000000, 0.0003732200000000, 0.0007443700000000 ] - [ 0.0003269400000000, -0.0005346400000000, -0.0001556000000000 ] - [ 0.0003599100000000, -0.0008939300000000, -0.0008934600000000 ] - [ -0.0011095900000000, 0.0053114800000000, -0.0007600300000000 ] - [ 0.0021539300000000, -0.0012717100000000, -0.0022279700000000 ] - [ -0.0001172000000000, 0.0000143000000000, 0.0004624500000000 ] - [ 0.0001146300000000, 0.0004507600000000, 0.0006041300000000 ] - [ -0.0016903000000000, -0.0067886400000000, -0.0029943700000000 ] - [ 0.0003353800000000, -0.0007410300000000, -0.0001014600000000 ] - [ 0.0010019800000000, 0.0019590200000000, 0.0013058500000000 ] - [ -0.0013002800000000, 0.0018039000000000, -0.0040248700000000 ] - [ -0.0037980300000000, -0.0019522600000000, -0.0011093000000000 ] - [ 0.0013361400000000, -0.0039882100000000, -0.0006099500000000 ] - [ -0.0000682500000000, 0.0003178600000000, 0.0009947200000000 ] - [ -0.0002316000000000, 0.0002175100000000, 0.0010052400000000 ] - [ 0.0008340000000000, 0.0022119900000000, 0.0004915300000000 ] - [ 0.0001958800000000, 0.0010364300000000, 0.0001489000000000 ] - [ 0.0013584700000000, -0.0010147500000000, 0.0022432900000000 ] - [ -0.0044869700000000, 0.0002840400000000, 0.0010352700000000 ] - [ 0.0024407700000000, -0.0014826900000000, -0.0003133300000000 ] - [ -0.2032082800000000, 0.4409110300000000, -0.1709629800000000 ] - [ 0.0007464500000000, 0.0008842900000000, -0.0032122200000000 ] - [ -0.0028118800000000, 0.0018489900000000, -0.0022900000000000 ] - [ 0.0005406300000000, -0.0002109500000000, 0.0004326200000000 ] - [ 0.0006472000000000, -0.0000796300000000, 0.0006839700000000 ] - [ -0.0001251800000000, 0.0004677300000000, 0.0000230900000000 ] - [ 0.0002332800000000, 0.0004882000000000, 0.0003147900000000 ] - [ 0.0002887000000000, -0.0009943900000000, -0.0006756700000000 ] - [ 0.0007309800000000, 0.0008241500000000, 0.0002574500000000 ] - [ 0.0005029300000000, -0.0001061300000000, -0.0000546900000000 ] - [ -0.0015711000000000, -0.0062053200000000, -0.0003704300000000 ] - [ -0.0003218700000000, -0.0040799700000000, 0.0005461300000000 ] - [ 0.0001977100000000, -0.0004223300000000, -0.0000531900000000 ] - [ 0.0000736600000000, 0.0004165400000000, 0.0006066700000000 ] - [ 0.0002104000000000, 0.0005150700000000, 0.0005538700000000 ] - [ -0.0003814600000000, 0.0018439900000000, -0.0025205400000000 ] - [ 0.0011819900000000, 0.0046496400000000, -0.0007000100000000 ] - [ 0.0003679200000000, 0.0008217200000000, 0.0006046800000000 ] - [ -0.0000330000000000, 0.0006024300000000, 0.0002964100000000 ] - [ -0.0004500400000000, -0.0006552800000000, 0.0001508800000000 ] - [ -0.0009799800000000, -0.0012554400000000, -0.0013758700000000 ] - [ -0.0005980400000000, -0.0030630600000000, -0.0005580200000000 ] - [ -0.0010468600000000, -0.0030232100000000, -0.0003229800000000 ] - [ 0.0000085400000000, 0.0020349900000000, 0.0025570500000000 ] - [ 0.0006127200000000, 0.0009014800000000, -0.0001558300000000 ] - [ -0.0003816600000000, 0.0002249600000000, 0.0003432200000000 ] - [ -0.0024556400000000, -0.0004406800000000, 0.0032524300000000 ] - [ 0.0001799500000000, -0.0007092000000000, 0.0004468600000000 ] - [ 0.0010256500000000, -0.0000856400000000, -0.0003013500000000 ] - [ -0.0003953700000000, -0.0000287900000000, -0.0002932900000000 ] - [ -0.0006608500000000, -0.0003421600000000, -0.0001832200000000 ] - [ -0.2213377700000000, 0.4741954900000000, -0.1636573800000000 ] - [ 0.0019501600000000, -0.0004920700000000, 0.0006967000000000 ] - [ -0.0003119800000000, -0.0000609400000000, 0.0009814700000000 ] - [ -0.0002209200000000, -0.0001926800000000, 0.0012537900000000 ] - [ 0.0002064600000000, 0.0000149300000000, -0.0003463200000000 ] - [ -0.0004613800000000, 0.0005272200000000, 0.0048228800000000 ] - [ -0.0001398000000000, -0.0004887100000000, 0.0003639100000000 ] - [ 0.0008260500000000, -0.0005595300000000, 0.0009081300000000 ] - [ 0.0005058300000000, -0.0002560800000000, 0.0002558800000000 ] - [ 0.0003445200000000, -0.0001615800000000, -0.0000542100000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000259900000000, -0.0010386100000000, 0.0010107000000000 ] - [ -0.0000794000000000, -0.0003249300000000, 0.0008392600000000 ] - [ 0.0006571000000000, 0.0011518700000000, 0.0001336100000000 ] - [ -0.0000865700000000, 0.0014974900000000, -0.0010270100000000 ] - [ -0.0044992200000000, 0.0041508300000000, 0.0124430300000000 ] - [ 0.0009962400000000, 0.0012107400000000, 0.0002149000000000 ] - [ -0.0000033900000000, -0.0005454800000000, -0.0004511800000000 ] - [ 0.0001060900000000, 0.0002071200000000, 0.0004477000000000 ] - [ -0.0009785400000000, 0.0000972000000000, 0.0000211300000000 ] - [ 0.0006468100000000, -0.0001548100000000, 0.0017991100000000 ] - [ -0.0003996600000000, 0.0003667000000000, 0.0008430700000000 ] - [ -0.0001043100000000, 0.0005255100000000, 0.0012155000000000 ] - [ 0.0006156400000000, -0.0018069000000000, -0.0005024200000000 ] - [ 0.0000152400000000, -0.0022013500000000, -0.0010069200000000 ] - [ 0.0004554400000000, 0.0004349400000000, -0.0001765800000000 ] - [ -0.0000752200000000, -0.0006129100000000, 0.0000582100000000 ] - [ -0.0022538900000000, -0.0150233700000000, -0.0068776000000000 ] - [ 0.0007899000000000, -0.0006611300000000, -0.0002131000000000 ] - [ -0.0003761400000000, -0.0010447900000000, -0.0001416100000000 ] - [ 0.0004891100000000, -0.0009227900000000, 0.0001034100000000 ] - [ 0.0037615300000000, 0.0097007100000000, -0.0016326600000000 ] - [ 0.0076897400000000, 0.0060935600000000, -0.0064854900000000 ] - [ 0.0015773800000000, -0.0003961100000000, -0.0008832200000000 ] - [ -0.0033705400000000, 0.0028931400000000, -0.0151406700000000 ] - [ -0.0000223000000000, 0.0001911800000000, 0.0008920700000000 ] - [ -0.0002422100000000, 0.0004343600000000, 0.0004283900000000 ] - [ -0.0000331000000000, 0.0006374000000000, 0.0001493300000000 ] - [ 0.0003345100000000, 0.0004639900000000, 0.0003453100000000 ] - [ 0.0006309300000000, -0.0009257900000000, -0.0003729600000000 ] - [ -0.0046564800000000, -0.0079102400000000, -0.0001098200000000 ] - [ 0.0001430200000000, 0.0004563200000000, 0.0003663100000000 ] - [ -0.0002440000000000, 0.0002908700000000, 0.0003515100000000 ] - [ -0.0002176800000000, -0.0000015900000000, 0.0000003400000000 ] - [ 0.0037901300000000, -0.0054464400000000, 0.0044760200000000 ] - [ -0.0002512600000000, 0.0001136800000000, 0.0005364300000000 ] - [ 0.0003365600000000, 0.0002288700000000, 0.0005101200000000 ] - [ -0.0054954900000000, -0.0036202800000000, 0.0053175600000000 ] - [ 0.0008392300000000, -0.0003951200000000, 0.0002780400000000 ] - [ 0.0034128100000000, -0.0073964400000000, 0.0003763400000000 ] - [ 0.0001726100000000, -0.0006706000000000, -0.0006837200000000 ] - [ -0.0009165900000000, 0.0023212600000000, -0.0005089700000000 ] - [ -0.0022000700000000, 0.0053993600000000, -0.0014462300000000 ] - [ -0.0003436500000000, -0.0021847500000000, -0.0020645800000000 ] - [ -0.0019430500000000, -0.0026719200000000, -0.0024379700000000 ] - [ -0.0000073400000000, -0.0001339800000000, -0.0000694200000000 ] - [ 0.0001530300000000, -0.0007379200000000, 0.0002343400000000 ] - [ 0.0003199600000000, -0.0006716400000000, -0.0006809600000000 ] - [ 0.0003036600000000, -0.0006013400000000, -0.0007034600000000 ] - [ -0.0006455700000000, -0.0000094900000000, 0.0001641700000000 ] - [ -0.0011064700000000, -0.0001159100000000, 0.0005645400000000 ] - [ -0.4231499800000000, 0.9287952900000001, -0.3296891000000000 ] - [ 0.0009316400000000, -0.0031000400000000, 0.0010350200000000 ] - [ 0.0003190200000000, 0.0003438600000000, -0.0003286300000000 ] - [ 0.0005451400000000, 0.0008905300000000, -0.0002206900000000 ] - [ 0.0003609800000000, -0.0001114300000000, 0.0005029600000000 ] - [ -0.0016040400000000, -0.0009272800000000, 0.0031886300000000 ] - [ -0.0006530700000000, 0.0007180200000000, 0.0001175400000000 ] - [ -0.0002679200000000, -0.0001152300000000, -0.0010392900000000 ] - [ -0.0008764300000000, 0.0006087200000000, 0.0025302800000000 ] - [ 0.0006963100000000, 0.0006509400000000, 0.0021036200000000 ] - [ 0.0004381000000000, -0.0018926100000000, 0.0003649700000000 ] - [ -0.0010123700000000, -0.0012957700000000, -0.0013678500000000 ] - [ -0.0002885100000000, -0.0002641500000000, 0.0003981700000000 ] - [ -0.0040908200000000, -0.0058593300000000, -0.0023761700000000 ] - [ 0.0006059300000000, 0.0024069900000000, 0.0000390900000000 ] - [ -0.0000265400000000, -0.0013462200000000, 0.0004296900000000 ] - [ -0.0000648100000000, -0.0001073100000000, 0.0004025400000000 ] - [ -0.0000966700000000, 0.0000177100000000, 0.0003727600000000 ] - [ 0.0013655400000000, 0.0020858100000000, 0.0012856500000000 ] - [ 0.0002296400000000, 0.0004844600000000, 0.0010646000000000 ] - [ 0.0000624400000000, -0.0000852100000000, 0.0000906100000000 ] - [ -0.0000015400000000, -0.0000000900000000, 0.0000918800000000 ] - [ -0.0003146700000000, 0.0000138600000000, -0.0019309600000000 ] - [ 0.0005748500000000, -0.0004148200000000, -0.0021589100000000 ] - [ -0.0002144700000000, -0.0001401100000000, -0.0000731000000000 ] - [ -0.0007255800000000, -0.0003210900000000, -0.0005262100000000 ] - [ -0.0003488800000000, -0.0005956500000000, -0.0006080800000000 ] - [ -0.0003888500000000, -0.0002337600000000, 0.0001375600000000 ] - [ 0.0022611700000000, -0.0049644500000000, 0.0012551800000000 ] - [ -0.0010032600000000, 0.0016148200000000, 0.0027037000000000 ] - [ 0.0001374900000000, 0.0011333500000000, 0.0002969500000000 ] - [ -0.0000944600000000, 0.0006902300000000, 0.0001581600000000 ] - [ 0.0015990100000000, 0.0056583500000000, 0.0028639800000000 ] - [ -0.0004392300000000, -0.0003568500000000, 0.0000102400000000 ] - [ -0.0010249100000000, -0.0008342400000000, -0.0020825300000000 ] - [ 0.0012759200000000, -0.0006925800000000, 0.0032449600000000 ] - [ 0.0039177700000000, 0.0006236200000000, 0.0016211400000000 ] - [ -0.0012493200000000, 0.0026479100000000, 0.0011107200000000 ] - [ -0.0004205000000000, 0.0007214500000000, 0.0002859500000000 ] - [ -0.0002585800000000, 0.0008246500000000, 0.0002708200000000 ] - [ -0.0009356100000000, -0.0008979500000000, -0.0009976700000000 ] - [ -0.0002934700000000, 0.0002871200000000, -0.0006540100000000 ] - [ -0.0024941300000000, 0.0006703500000000, -0.0020849100000000 ] - [ 0.0033568700000000, -0.0006235900000000, -0.0008615500000000 ] - [ -0.0023442800000000, 0.0003756700000000, 0.0004090700000000 ] - [ 0.2199073400000000, -0.4653478600000000, 0.1849228900000000 ] - [ -0.0008420200000000, -0.0021804200000000, 0.0026933000000000 ] - [ 0.0027132100000000, -0.0031406500000000, 0.0017781600000000 ] - [ 0.0006029000000000, -0.0001419200000000, 0.0000534200000000 ] - [ 0.0004972300000000, -0.0002736600000000, -0.0001969600000000 ] - [ 0.0000203600000000, 0.0006356600000000, -0.0001144800000000 ] - [ -0.0003339200000000, 0.0006109200000000, -0.0004046700000000 ] - [ -0.0002835700000000, -0.0001704600000000, 0.0014518600000000 ] - [ -0.0007091900000000, -0.0019729300000000, 0.0005077500000000 ] - [ 0.0002816200000000, 0.0000508000000000, -0.0001628900000000 ] - [ 0.0023381900000000, 0.0061859100000000, 0.0001135300000000 ] - [ 0.0001891300000000, 0.0039462600000000, 0.0003882800000000 ] - [ -0.0003294100000000, 0.0002965700000000, 0.0009031400000000 ] - [ 0.0000229200000000, 0.0009104800000000, -0.0000994200000000 ] - [ -0.0001138300000000, 0.0008120700000000, -0.0000489700000000 ] - [ 0.0008422500000000, -0.0028771800000000, 0.0012583400000000 ] - [ -0.0006890200000000, -0.0056739200000000, -0.0005772900000000 ] - [ -0.0002644900000000, 0.0002825100000000, -0.0005131300000000 ] - [ 0.0001354900000000, 0.0005016900000000, -0.0002045500000000 ] - [ -0.0006911700000000, 0.0003031100000000, -0.0006312800000000 ] - [ -0.0001699900000000, 0.0008924200000000, 0.0008828100000000 ] - [ 0.0001156500000000, 0.0020249100000000, 0.0018395500000000 ] - [ 0.0005336000000000, 0.0019730600000000, 0.0015994100000000 ] - [ 0.0004805300000000, -0.0009964900000000, -0.0038441700000000 ] - [ -0.0001240100000000, 0.0001365600000000, -0.0011254200000000 ] - [ -0.0007437600000000, 0.0001312300000000, -0.0001696300000000 ] - [ 0.0013271200000000, 0.0007951400000000, -0.0030764200000000 ] - [ 0.0009153800000000, 0.0010820300000000, -0.0005658000000000 ] - [ 0.0000982800000000, 0.0004459500000000, 0.0001336800000000 ] - [ -0.0007473100000000, 0.0003877200000000, -0.0001948600000000 ] - [ -0.0004780300000000, 0.0007121200000000, -0.0003020600000000 ] - [ 0.2034503200000000, -0.4490614500000000, 0.1512613200000000 ] - [ -0.0027263600000000, 0.0004426800000000, -0.0004791300000000 ] - [ 0.0001841900000000, 0.0001890300000000, -0.0001370900000000 ] - [ 0.0000891100000000, 0.0003203500000000, -0.0004008400000000 ] - [ -0.0000774700000000, -0.0001451800000000, -0.0005011500000000 ] - [ 0.0005925800000000, -0.0006612500000000, -0.0056749400000000 ] - [ 0.0012668300000000, 0.0001275300000000, -0.0005369500000000 ] - [ 0.0002985800000000, 0.0001998000000000, -0.0010855200000000 ] - [ 0.0002787700000000, 0.0003100400000000, -0.0004701200000000 ] - [ 0.0004365200000000, 0.0002123800000000, -0.0001604100000000 ]- atom: 51 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0000217500000000, -0.0007827800000000, 0.0000403600000000 ] - [ -0.0000638400000000, -0.0007597200000000, -0.0000439800000000 ] - [ 0.0002778800000000, 0.0005918600000000, -0.0004084000000000 ] - [ 0.0003497300000000, 0.0006981800000000, -0.0008973000000000 ] - [ -0.0009194300000000, -0.0014190900000000, 0.0084233500000000 ] - [ 0.0001612200000000, 0.0006724900000000, 0.0003337100000000 ] - [ 0.0003679400000000, 0.0003838300000000, -0.0002122000000000 ] - [ -0.0002466500000000, 0.0006303400000000, 0.0002895500000000 ] - [ -0.0001428500000000, -0.0004205300000000, 0.0002243200000000 ] - [ -0.0003159100000000, -0.0004968700000000, 0.0006219000000000 ] - [ -0.0002092100000000, 0.0005208800000000, 0.0003783100000000 ] - [ -0.0003355600000000, 0.0005265000000000, 0.0005436200000000 ] - [ 0.0001760800000000, -0.0006004700000000, -0.0004834800000000 ] - [ 0.0003712500000000, -0.0008503000000000, -0.0006701900000000 ] - [ 0.0003128000000000, 0.0005354700000000, -0.0004067700000000 ] - [ 0.0001763500000000, 0.0004307500000000, -0.0005825400000000 ] - [ -0.0011349500000000, -0.0026059500000000, -0.0004391600000000 ] - [ 0.0001950800000000, -0.0006891500000000, 0.0004580200000000 ] - [ -0.0001815000000000, -0.0007824400000000, -0.0002431300000000 ] - [ 0.0002058300000000, -0.0008525100000000, -0.0002262700000000 ] - [ 0.0003719300000000, 0.0024306700000000, -0.0004879800000000 ] - [ -0.0026149900000000, 0.0028741300000000, -0.0005949600000000 ] - [ 0.0006404400000000, -0.0004973000000000, -0.0005043000000000 ] - [ -0.0002330400000000, 0.0090409200000000, 0.0109446700000000 ] - [ -0.0002203800000000, 0.0005110100000000, 0.0001434000000000 ] - [ -0.0001186800000000, 0.0005204800000000, 0.0001093200000000 ] - [ 0.0001510600000000, 0.0005323500000000, -0.0001874200000000 ] - [ 0.0001315600000000, 0.0005363200000000, -0.0001535000000000 ] - [ 0.0001910900000000, -0.0004619800000000, -0.0000116800000000 ] - [ -0.0011847700000000, -0.0019869200000000, 0.0004881700000000 ] - [ -0.0000564800000000, 0.0003656900000000, -0.0000531200000000 ] - [ -0.0000282600000000, 0.0003676400000000, -0.0000966500000000 ] - [ -0.0000645400000000, -0.0004088100000000, 0.0001702600000000 ] - [ 0.0002830900000000, -0.0016444500000000, 0.0019987500000000 ] - [ 0.0000635900000000, 0.0003549800000000, -0.0000165100000000 ] - [ 0.0000807600000000, 0.0003456900000000, 0.0000597300000000 ] - [ -0.0009457000000000, -0.0018436700000000, 0.0019544900000000 ] - [ 0.0002231000000000, -0.0003551600000000, 0.0002407700000000 ] - [ 0.0005870900000000, -0.0018083500000000, 0.0009952600000000 ] - [ 0.0002042800000000, -0.0005412400000000, -0.0001627200000000 ] - [ -0.0007428900000000, 0.0010633900000000, 0.0005210900000000 ] - [ -0.0003646600000000, 0.0011836300000000, 0.0004046300000000 ] - [ 0.0000338400000000, -0.0001178700000000, -0.0010381800000000 ] - [ -0.0006154700000000, -0.0008200200000000, -0.0014282600000000 ] - [ -0.0000100600000000, 0.0000095000000000, -0.0000080500000000 ] - [ 0.0000838400000000, -0.0004114100000000, 0.0001554300000000 ] - [ 0.0000959900000000, -0.0002546200000000, -0.0007837800000000 ] - [ 0.0000878500000000, -0.0002323800000000, -0.0007931100000000 ] - [ -0.0004558400000000, 0.0000672600000000, -0.0004878700000000 ] - [ -0.0006070600000000, 0.0000182800000000, -0.0002224100000000 ] - [ -0.0405112500000000, 0.1603851800000000, -0.2009630400000000 ] - [ 0.0005051200000000, -0.0012600600000000, 0.0000863300000000 ] - [ 0.0001972300000000, 0.0001972500000000, -0.0003418300000000 ] - [ 0.0002199700000000, 0.0002202100000000, -0.0003706100000000 ] - [ 0.0005062600000000, -0.0000547100000000, 0.0003541100000000 ] - [ 0.0004984400000000, 0.0000091700000000, 0.0004563100000000 ] - [ -0.0001253200000000, 0.0001035800000000, -0.0010081400000000 ] - [ -0.0004297600000000, -0.0000749600000000, -0.0006053300000000 ] - [ 0.0000886000000000, 0.0001889300000000, 0.0010051800000000 ] - [ 0.0006451000000000, 0.0001427600000000, 0.0004447500000000 ] - [ 0.0001389800000000, 0.0004217900000000, 0.0007145500000000 ] - [ -0.0003573900000000, -0.0004295000000000, -0.0004777400000000 ] - [ -0.0001909000000000, -0.0001417700000000, 0.0003815300000000 ] - [ -0.0009405500000000, -0.0014117800000000, -0.0000494300000000 ] - [ 0.0001977500000000, 0.0006725700000000, -0.0000058500000000 ] - [ -0.0000164900000000, -0.0002486100000000, 0.0000380600000000 ] - [ -0.0002028600000000, 0.0002151200000000, 0.0003680500000000 ] - [ -0.0002307300000000, 0.0002305200000000, 0.0003649600000000 ] - [ -0.0002520000000000, -0.0005144700000000, 0.0007622500000000 ] - [ -0.0000733700000000, -0.0001751300000000, 0.0008475800000000 ] - [ -0.0000025700000000, 0.0000222100000000, -0.0000036600000000 ] - [ -0.0000901600000000, 0.0002689300000000, -0.0002123300000000 ] - [ 0.0002887800000000, 0.0000346600000000, -0.0007879700000000 ] - [ 0.0000461200000000, -0.0000004300000000, -0.0005756900000000 ] - [ -0.0004053100000000, 0.0000125200000000, 0.0002135000000000 ] - [ -0.0003735500000000, 0.0000069600000000, 0.0000898200000000 ] - [ -0.0000251700000000, -0.0005843200000000, -0.0004014000000000 ] - [ -0.0003562000000000, -0.0003924000000000, 0.0000488300000000 ] - [ 0.0014736700000000, -0.0007407200000000, 0.0007435000000000 ] - [ 0.0000739000000000, 0.0007236300000000, 0.0010589000000000 ] - [ -0.0000543900000000, 0.0008325000000000, 0.0004034700000000 ] - [ 0.0000209300000000, 0.0005799200000000, 0.0003394600000000 ] - [ 0.0002049600000000, 0.0012967900000000, 0.0006230900000000 ] - [ -0.0001727700000000, -0.0005209600000000, -0.0001340100000000 ] - [ -0.0003775600000000, 0.0002518600000000, -0.0008869200000000 ] - [ 0.0002749300000000, 0.0002010500000000, 0.0004220500000000 ] - [ 0.0008219400000000, -0.0004993800000000, 0.0003761100000000 ] - [ -0.0006570800000000, 0.0005521900000000, 0.0002927200000000 ] - [ -0.0002285900000000, 0.0005182400000000, 0.0006649900000000 ] - [ -0.0002352100000000, 0.0005200000000000, 0.0007074700000000 ] - [ 0.0000875100000000, 0.0008016100000000, -0.0001992100000000 ] - [ -0.0001171300000000, 0.0006027500000000, -0.0002191400000000 ] - [ -0.0007802900000000, -0.0000436800000000, -0.0005900800000000 ] - [ 0.0000043700000000, -0.0002529200000000, 0.0000777600000000 ] - [ -0.0006361000000000, -0.0001646200000000, -0.0000060200000000 ] - [ 0.0276614600000000, -0.0900728200000000, 0.0923842500000000 ] - [ -0.0003790400000000, -0.0014455300000000, 0.0007394600000000 ] - [ 0.0005969500000000, -0.0012513900000000, -0.0000566400000000 ] - [ 0.0005082300000000, -0.0001717000000000, 0.0002922800000000 ] - [ 0.0006256200000000, -0.0002930800000000, 0.0003366800000000 ] - [ -0.0000314900000000, 0.0005654500000000, 0.0000361500000000 ] - [ -0.0000753100000000, 0.0005270300000000, -0.0000624000000000 ] - [ -0.0000377600000000, -0.0005880500000000, 0.0007763100000000 ] - [ -0.0002084600000000, -0.0009747900000000, 0.0004450300000000 ] - [ 0.0002675200000000, -0.0000127200000000, -0.0002042200000000 ] - [ 0.0011936400000000, 0.0009689300000000, 0.0000283200000000 ] - [ 0.0000259300000000, 0.0006127800000000, 0.0009079900000000 ] - [ -0.0002089400000000, 0.0000100400000000, 0.0005421600000000 ] - [ 0.0000405800000000, 0.0006676400000000, 0.0002946400000000 ] - [ 0.0000515600000000, 0.0006684900000000, 0.0002979600000000 ] - [ 0.0000582800000000, -0.0010568100000000, -0.0001627000000000 ] - [ 0.0001695000000000, -0.0014528300000000, -0.0008360200000000 ] - [ 0.0000634900000000, 0.0005394500000000, 0.0000329800000000 ] - [ 0.0000285300000000, 0.0005372700000000, 0.0001092700000000 ] - [ -0.0006782300000000, -0.0006502900000000, -0.0008383000000000 ] - [ -0.0004611700000000, 0.0001504700000000, 0.0001832000000000 ] - [ -0.0002765800000000, -0.0000265300000000, 0.0007331600000000 ] - [ 0.0000211900000000, 0.0002697500000000, 0.0008200200000000 ] - [ 0.0003495900000000, 0.0006372300000000, -0.0003817700000000 ] - [ 0.0001779600000000, 0.0004741900000000, -0.0006465000000000 ] - [ -0.0005771000000000, 0.0001752000000000, 0.0001342200000000 ] - [ -0.0005162300000000, 0.0001566100000000, 0.0000558300000000 ] - [ 0.0004098200000000, 0.0003129800000000, 0.0003655200000000 ] - [ 0.0004563200000000, 0.0002111100000000, 0.0000377700000000 ] - [ -0.0006667900000000, 0.0001827800000000, -0.0002074700000000 ] - [ -0.0001991200000000, 0.0004365200000000, -0.0000022000000000 ] - [ 0.0185181600000000, -0.0759637900000000, 0.0827724400000000 ] - [ -0.0012776900000000, 0.0000922200000000, -0.0002495200000000 ] - [ -0.0001031200000000, 0.0000596100000000, 0.0004751500000000 ] - [ 0.0000439600000000, 0.0001124700000000, 0.0002970800000000 ] - [ -0.0000527700000000, -0.0001027200000000, -0.0004166300000000 ] - [ 0.0001083500000000, -0.0001462100000000, -0.0004881000000000 ] - [ 0.0005451100000000, -0.0001538500000000, -0.0000433200000000 ] - [ 0.0005932700000000, -0.0001446500000000, -0.0002896100000000 ] - [ 0.0004220400000000, 0.0000373700000000, -0.0001172800000000 ] - [ 0.0003716900000000, 0.0000314900000000, 0.0000026700000000 ]- atom: 51 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0000577500000000, -0.0008498100000000, 0.0002114200000000 ] - [ -0.0000147300000000, -0.0008720200000000, 0.0002998500000000 ] - [ 0.0002724500000000, 0.0005650300000000, -0.0007502300000000 ] - [ 0.0002058600000000, 0.0004565500000000, -0.0002630300000000 ] - [ 0.0004276000000000, 0.0025817000000000, -0.0076985200000000 ] - [ -0.0006466200000000, 0.0004543400000000, 0.0005619300000000 ] - [ -0.0002875400000000, 0.0012529300000000, -0.0000449600000000 ] - [ 0.0003268200000000, 0.0010011800000000, -0.0005525200000000 ] - [ -0.0003461900000000, -0.0007059900000000, 0.0006709000000000 ] - [ -0.0001650700000000, -0.0006294900000000, 0.0002658900000000 ] - [ -0.0003435700000000, 0.0006340500000000, 0.0007827100000000 ] - [ -0.0002170000000000, 0.0006293700000000, 0.0006173500000000 ] - [ 0.0003071200000000, -0.0005296800000000, -0.0004048800000000 ] - [ 0.0001176100000000, -0.0002786100000000, -0.0002167300000000 ] - [ 0.0001720900000000, 0.0005920200000000, -0.0004883200000000 ] - [ 0.0003089300000000, 0.0006916200000000, -0.0003101300000000 ] - [ 0.0005788100000000, 0.0014423600000000, 0.0016082000000000 ] - [ -0.0007498300000000, -0.0004637800000000, 0.0007050100000000 ] - [ 0.0002605800000000, -0.0008535700000000, -0.0000118300000000 ] - [ -0.0001268000000000, -0.0007812700000000, -0.0000241300000000 ] - [ -0.0004191700000000, -0.0008009400000000, 0.0007428300000000 ] - [ 0.0026083800000000, -0.0012395100000000, 0.0008626000000000 ] - [ -0.0000973000000000, -0.0006599700000000, -0.0006595200000000 ] - [ 0.0008378600000000, -0.0099611900000000, -0.0118101500000000 ] - [ -0.0000597800000000, 0.0005569500000000, 0.0001426600000000 ] - [ -0.0001603500000000, 0.0005478600000000, 0.0001773200000000 ] - [ 0.0001273700000000, 0.0005342400000000, -0.0000953500000000 ] - [ 0.0001488300000000, 0.0005310100000000, -0.0001305300000000 ] - [ -0.0002726500000000, -0.0002710700000000, -0.0000820300000000 ] - [ 0.0011145900000000, 0.0012562400000000, -0.0005648600000000 ] - [ -0.0000247100000000, 0.0003672300000000, -0.0000383800000000 ] - [ -0.0000533300000000, 0.0003649500000000, 0.0000061700000000 ] - [ -0.0002165600000000, -0.0006607800000000, 0.0001112600000000 ] - [ -0.0005163200000000, 0.0005518900000000, -0.0017065500000000 ] - [ 0.0000178600000000, 0.0003787200000000, 0.0001083100000000 ] - [ 0.0000003200000000, 0.0003877700000000, 0.0000334400000000 ] - [ 0.0009798300000000, 0.0010744500000000, -0.0018369100000000 ] - [ -0.0001438900000000, -0.0003774300000000, -0.0001519900000000 ] - [ -0.0003230400000000, 0.0007625000000000, -0.0012785100000000 ] - [ 0.0000726400000000, -0.0005280000000000, -0.0001205200000000 ] - [ 0.0005155900000000, -0.0004946400000000, 0.0010395700000000 ] - [ 0.0001461000000000, -0.0006254500000000, 0.0011636500000000 ] - [ 0.0001736300000000, 0.0006494200000000, -0.0005392800000000 ] - [ 0.0008302000000000, 0.0013629300000000, -0.0001452500000000 ] - [ 0.0000099400000000, -0.0000081700000000, 0.0000078600000000 ] - [ -0.0000853200000000, 0.0004148000000000, -0.0001556200000000 ] - [ 0.0001112900000000, -0.0002776800000000, -0.0007951400000000 ] - [ 0.0001195500000000, -0.0003000700000000, -0.0007862900000000 ] - [ -0.0005535800000000, 0.0000387900000000, -0.0003203200000000 ] - [ -0.0004001200000000, 0.0000887200000000, -0.0005908500000000 ] - [ 0.0403473000000000, -0.1603186300000000, 0.2002167300000000 ] - [ -0.0000920700000000, 0.0008588300000000, -0.0008155000000000 ] - [ 0.0002168000000000, 0.0002059700000000, -0.0003875000000000 ] - [ 0.0001939200000000, 0.0001834600000000, -0.0003581700000000 ] - [ 0.0005043200000000, -0.0000509700000000, 0.0004536100000000 ] - [ 0.0004976800000000, -0.0001191500000000, 0.0003626400000000 ] - [ -0.0008849100000000, -0.0002109600000000, 0.0002000400000000 ] - [ -0.0005800400000000, -0.0000309200000000, -0.0002027300000000 ] - [ 0.0009132700000000, -0.0000801500000000, -0.0001837000000000 ] - [ 0.0003594000000000, -0.0000359700000000, 0.0003690600000000 ] - [ -0.0001298800000000, -0.0004323000000000, -0.0007258700000000 ] - [ 0.0003618900000000, 0.0004373400000000, 0.0004862400000000 ] - [ -0.0002216600000000, -0.0002600100000000, 0.0003481000000000 ] - [ 0.0005162900000000, 0.0009983900000000, 0.0007721900000000 ] - [ -0.0001972600000000, -0.0006697400000000, 0.0000050300000000 ] - [ 0.0000104300000000, 0.0002338400000000, -0.0000397100000000 ] - [ -0.0002100600000000, 0.0001866500000000, 0.0003612100000000 ] - [ -0.0001807600000000, 0.0001684000000000, 0.0003656700000000 ] - [ 0.0000447500000000, -0.0000179800000000, 0.0008190700000000 ] - [ -0.0001312600000000, -0.0003527500000000, 0.0007333500000000 ] - [ 0.0000022700000000, -0.0000220400000000, 0.0000029200000000 ] - [ 0.0000911100000000, -0.0002733300000000, 0.0002166000000000 ] - [ -0.0001537500000000, 0.0000915400000000, -0.0000671500000000 ] - [ 0.0000850900000000, 0.0001275500000000, -0.0002778600000000 ] - [ -0.0003762000000000, 0.0000404900000000, 0.0000027800000000 ] - [ -0.0004093000000000, 0.0000452600000000, 0.0001271400000000 ] - [ 0.0000037100000000, -0.0005496800000000, -0.0003630900000000 ] - [ 0.0003332300000000, -0.0007458200000000, -0.0008121900000000 ] - [ -0.0003397700000000, 0.0011045000000000, -0.0002730300000000 ] - [ 0.0010744500000000, -0.0003747500000000, -0.0005830500000000 ] - [ 0.0000766200000000, 0.0003012000000000, 0.0003630900000000 ] - [ 0.0000008700000000, 0.0005557100000000, 0.0004271300000000 ] - [ -0.0003057800000000, -0.0023849800000000, -0.0007036100000000 ] - [ 0.0000736200000000, -0.0005801700000000, 0.0000445500000000 ] - [ 0.0003561300000000, 0.0008797900000000, 0.0001162500000000 ] - [ -0.0003023200000000, 0.0009488400000000, -0.0011859600000000 ] - [ -0.0007271000000000, -0.0008316500000000, 0.0001336100000000 ] - [ 0.0007645000000000, -0.0018909300000000, 0.0002110300000000 ] - [ -0.0002597600000000, 0.0005203600000000, 0.0006160000000000 ] - [ -0.0002537600000000, 0.0005197200000000, 0.0005719300000000 ] - [ -0.0001836500000000, 0.0005249500000000, -0.0003060500000000 ] - [ 0.0000195500000000, 0.0007229800000000, -0.0002871400000000 ] - [ -0.0003471500000000, -0.0003124000000000, 0.0007480700000000 ] - [ -0.0011305800000000, -0.0001026400000000, 0.0000852800000000 ] - [ 0.0007381000000000, -0.0009377600000000, 0.0000999300000000 ] - [ -0.0276939900000000, 0.0903404400000000, -0.0945500300000000 ] - [ 0.0002936700000000, 0.0000934000000000, -0.0012252200000000 ] - [ -0.0006745700000000, -0.0000737400000000, -0.0004322100000000 ] - [ 0.0006375100000000, -0.0001845100000000, 0.0001945200000000 ] - [ 0.0005175500000000, -0.0000596700000000, 0.0001473900000000 ] - [ -0.0000733000000000, 0.0005403600000000, -0.0001286300000000 ] - [ -0.0000266100000000, 0.0005746800000000, -0.0000287700000000 ] - [ 0.0000620000000000, -0.0005335200000000, -0.0000140800000000 ] - [ 0.0002303500000000, -0.0001627700000000, 0.0003182700000000 ] - [ 0.0005147800000000, -0.0000429700000000, -0.0000115300000000 ] - [ -0.0004107900000000, -0.0010015400000000, -0.0002358400000000 ] - [ -0.0001531900000000, -0.0007503200000000, -0.0000642100000000 ] - [ 0.0000807300000000, -0.0001388100000000, 0.0003030300000000 ] - [ 0.0000556500000000, 0.0006600500000000, 0.0002094100000000 ] - [ 0.0000448700000000, 0.0006580700000000, 0.0002058200000000 ] - [ 0.0004450800000000, -0.0000001500000000, -0.0011087800000000 ] - [ 0.0003238300000000, 0.0003995300000000, -0.0004343700000000 ] - [ 0.0000394600000000, 0.0005630900000000, 0.0000579000000000 ] - [ 0.0000735500000000, 0.0005642400000000, -0.0000188900000000 ] - [ -0.0004664800000000, 0.0003003700000000, 0.0003569100000000 ] - [ -0.0006860500000000, -0.0005074500000000, -0.0006740500000000 ] - [ -0.0002133400000000, -0.0010120100000000, 0.0005465100000000 ] - [ -0.0005134000000000, -0.0013149000000000, 0.0004553800000000 ] - [ 0.0001396000000000, 0.0004023000000000, -0.0008935000000000 ] - [ 0.0003094000000000, 0.0005614000000000, -0.0006363500000000 ] - [ -0.0005479200000000, 0.0001818400000000, 0.0000368200000000 ] - [ -0.0006004700000000, 0.0002037700000000, 0.0001018800000000 ] - [ 0.0007156300000000, 0.0000442200000000, -0.0005392700000000 ] - [ 0.0006678900000000, 0.0001470800000000, -0.0002081500000000 ] - [ -0.0004768900000000, 0.0001707600000000, -0.0002768800000000 ] - [ -0.0009468100000000, -0.0000802400000000, -0.0004825700000000 ] - [ -0.0187330800000000, 0.0738298900000000, -0.0804526100000000 ] - [ 0.0005013800000000, -0.0001447600000000, 0.0004673900000000 ] - [ -0.0000241700000000, 0.0000690900000000, 0.0003695900000000 ] - [ -0.0001772000000000, 0.0000153900000000, 0.0005573800000000 ] - [ 0.0001842400000000, -0.0000255700000000, -0.0004303900000000 ] - [ 0.0000217000000000, 0.0000150600000000, -0.0003882700000000 ] - [ 0.0005797400000000, -0.0002021300000000, -0.0001242400000000 ] - [ 0.0005311800000000, -0.0002114000000000, 0.0001201400000000 ] - [ 0.0003598200000000, 0.0000184400000000, -0.0001009100000000 ] - [ 0.0004096800000000, 0.0000224300000000, -0.0002211500000000 ]- atom: 61 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0002208700000000, -0.0007532100000000, 0.0007499500000000 ] - [ 0.0001262000000000, -0.0008483600000000, 0.0005751200000000 ] - [ 0.0038317200000000, -0.0056337900000000, 0.0049434700000000 ] - [ 0.0005179500000000, 0.0004924800000000, -0.0017092400000000 ] - [ 0.0027060900000000, 0.0065939200000000, -0.0009895200000000 ] - [ 0.0000981600000000, 0.0002142100000000, -0.0001855100000000 ] - [ -0.0001403600000000, 0.0008810300000000, 0.0004904100000000 ] - [ 0.0002040800000000, 0.0007854900000000, 0.0003224200000000 ] - [ -0.0003616200000000, -0.0006016000000000, 0.0009608900000000 ] - [ -0.0001948100000000, -0.0005849000000000, 0.0009284000000000 ] - [ -0.0005029200000000, 0.0006788400000000, 0.0011470000000000 ] - [ -0.0000452100000000, 0.0008172500000000, 0.0013545900000000 ] - [ 0.0032393700000000, 0.0054130500000000, -0.0018610400000000 ] - [ 0.0005878800000000, -0.0009416200000000, -0.0010771300000000 ] - [ 0.0001247100000000, 0.0005294900000000, 0.0000737100000000 ] - [ 0.0002893800000000, 0.0005462400000000, 0.0000363200000000 ] - [ 0.0032410300000000, -0.0068463000000000, 0.0061799000000000 ] - [ -0.0000336400000000, -0.0006720600000000, -0.0005156400000000 ] - [ -0.0026974800000000, -0.0005634800000000, 0.0000704000000000 ] - [ 0.0006278000000000, -0.0006720800000000, -0.0000290300000000 ] - [ -0.0027592300000000, 0.0011035300000000, 0.0003740400000000 ] - [ 0.0005529100000000, 0.0009717700000000, 0.0002531000000000 ] - [ 0.0000527200000000, -0.0004773200000000, -0.0000158200000000 ] - [ 0.0005034100000000, -0.0003392600000000, 0.0001885600000000 ] - [ -0.0001007800000000, 0.0009033000000000, -0.0000922600000000 ] - [ -0.0000561000000000, 0.0006092400000000, 0.0000484000000000 ] - [ -0.0000654900000000, 0.0003979900000000, 0.0002496200000000 ] - [ 0.0002906300000000, 0.0004949400000000, 0.0001488900000000 ] - [ -0.0002251200000000, -0.0001692400000000, -0.0002548900000000 ] - [ 0.0000264300000000, -0.0002574700000000, -0.0001611600000000 ] - [ -0.0000008100000000, 0.0002773700000000, 0.0004447700000000 ] - [ -0.0000417600000000, 0.0003065500000000, 0.0001587600000000 ] - [ -0.0003409900000000, -0.0006704600000000, 0.0005336800000000 ] - [ 0.0000106300000000, -0.0005748400000000, 0.0004347500000000 ] - [ -0.0001509000000000, 0.0005661300000000, -0.0001656000000000 ] - [ 0.0001102300000000, 0.0004772600000000, -0.0000695200000000 ] - [ 0.0000762400000000, -0.0004567600000000, 0.0005342400000000 ] - [ 0.0000384000000000, -0.0004272200000000, 0.0002536600000000 ] - [ 0.0001769000000000, -0.0001675000000000, -0.0003774000000000 ] - [ 0.0002230100000000, -0.0004606600000000, -0.0002333200000000 ] - [ -0.0000138600000000, -0.0000042100000000, 0.0007333300000000 ] - [ -0.0000186500000000, 0.0000905400000000, 0.0008288600000000 ] - [ -0.0014356800000000, -0.0027576500000000, -0.0027374500000000 ] - [ 0.0001745600000000, 0.0007165300000000, -0.0005889800000000 ] - [ -0.0000147100000000, 0.0000199100000000, -0.0000980700000000 ] - [ -0.0000152900000000, 0.0000212800000000, -0.0000979000000000 ] - [ 0.0001963300000000, -0.0005412800000000, -0.0008412300000000 ] - [ 0.0001899100000000, -0.0004446800000000, -0.0007471600000000 ] - [ -0.0008190100000000, -0.0000596200000000, 0.0002176900000000 ] - [ -0.0008054300000000, -0.0000526700000000, 0.0001202300000000 ] - [ 0.0005079700000000, -0.0006245300000000, -0.0001137100000000 ] - [ -0.0000514800000000, 0.0008065700000000, -0.0008414900000000 ] - [ 0.0002659300000000, 0.0002601000000000, -0.0003456300000000 ] - [ 0.0002067200000000, 0.0001978900000000, -0.0004616700000000 ] - [ 0.0001854100000000, -0.0001672200000000, 0.0010362500000000 ] - [ 0.0002016200000000, -0.0001597000000000, 0.0009344500000000 ] - [ -0.0001506000000000, -0.0002662900000000, -0.0009953900000000 ] - [ -0.0000928900000000, -0.0002273900000000, -0.0015059400000000 ] - [ 0.0008617300000000, -0.0001585900000000, -0.0001860900000000 ] - [ 0.0009123000000000, -0.0001168400000000, -0.0006830900000000 ] - [ -0.2193536200000000, -0.2120388600000000, -0.2487573200000000 ] - [ 0.0000589800000000, -0.0004211900000000, -0.0002877900000000 ] - [ -0.0001450900000000, -0.0001370400000000, 0.0003850600000000 ] - [ -0.0002054900000000, -0.0002020800000000, 0.0002687200000000 ] - [ 0.0041976900000000, -0.0012263400000000, -0.0000526800000000 ] - [ 0.0043156100000000, -0.0011030600000000, -0.0000433700000000 ] - [ 0.0001132600000000, -0.0002500900000000, 0.0006298800000000 ] - [ -0.0004673700000000, 0.0012232900000000, -0.0001184600000000 ] - [ -0.0016530200000000, -0.0033104300000000, -0.0011707200000000 ] - [ -0.0000347200000000, 0.0001826200000000, 0.0009902100000000 ] - [ 0.0001987800000000, -0.0004333900000000, 0.0003782400000000 ] - [ 0.0001910300000000, -0.0004633300000000, 0.0004266200000000 ] - [ 0.0005959200000000, -0.0004112800000000, 0.0008356900000000 ] - [ -0.0002699100000000, 0.0000868300000000, 0.0002848100000000 ] - [ -0.0002974800000000, -0.0000010600000000, -0.0000547300000000 ] - [ -0.0004796600000000, 0.0001718200000000, -0.0004005700000000 ] - [ 0.0000015100000000, -0.0005888200000000, -0.0006278500000000 ] - [ -0.0000212100000000, -0.0005988100000000, -0.0006458700000000 ] - [ 0.1005113200000000, 0.1071300200000000, 0.1198912000000000 ] - [ 0.0001103200000000, 0.0004769900000000, 0.0006398900000000 ] - [ 0.0000233300000000, 0.0005413900000000, 0.0001393600000000 ] - [ -0.0000004100000000, 0.0005333100000000, 0.0001187700000000 ] - [ -0.0000747300000000, -0.0005238400000000, -0.0002008900000000 ] - [ -0.0000459200000000, -0.0006024300000000, -0.0000684800000000 ] - [ 0.0014361400000000, 0.0023058200000000, 0.0016295600000000 ] - [ -0.0022345300000000, 0.0002863500000000, -0.0000253200000000 ] - [ 0.0015578200000000, 0.0017955400000000, -0.0005023300000000 ] - [ -0.0001623200000000, -0.0007579500000000, 0.0001103400000000 ] - [ -0.0002707900000000, 0.0004159900000000, 0.0000294000000000 ] - [ -0.0003051400000000, 0.0005897900000000, 0.0003429000000000 ] - [ 0.0014677600000000, 0.0031353200000000, -0.0010125600000000 ] - [ -0.0002622400000000, 0.0005626800000000, -0.0003890200000000 ] - [ -0.0004573700000000, -0.0010072200000000, 0.0012641300000000 ] - [ -0.0012284800000000, -0.0003626300000000, 0.0006486300000000 ] - [ 0.0013446300000000, -0.0005931000000000, 0.0001121300000000 ] - [ -0.0004283600000000, -0.0004477900000000, -0.0003406200000000 ] - [ -0.0000447000000000, -0.0010381600000000, -0.0008455300000000 ] - [ -0.0002052700000000, -0.0006457500000000, -0.0004011000000000 ] - [ 0.0005997600000000, -0.0000251100000000, -0.0002212500000000 ] - [ 0.0004221500000000, 0.0000184200000000, -0.0002335000000000 ] - [ 0.0012568700000000, 0.0005141000000000, 0.0000250700000000 ] - [ -0.0005493900000000, 0.0006729700000000, -0.0004311000000000 ] - [ 0.0014159200000000, 0.0011640200000000, 0.0023903600000000 ] - [ -0.0021740400000000, -0.0007578800000000, 0.0007257700000000 ] - [ 0.0004823200000000, -0.0000566300000000, -0.0002777900000000 ] - [ 0.0003043300000000, 0.0001166100000000, -0.0006169300000000 ] - [ 0.0004672100000000, -0.0005433600000000, 0.0016923300000000 ] - [ -0.0004081200000000, -0.0000349200000000, 0.0011416900000000 ] - [ 0.0000537100000000, 0.0002809100000000, -0.0003479400000000 ] - [ -0.0001084100000000, 0.0006773900000000, 0.0001038900000000 ] - [ 0.0002222600000000, -0.0006253000000000, -0.0012440500000000 ] - [ 0.0001860700000000, -0.0004530100000000, -0.0009375900000000 ] - [ 0.0000302700000000, 0.0005830100000000, -0.0001088100000000 ] - [ 0.0000620400000000, 0.0005047700000000, 0.0000267700000000 ] - [ 0.1016981900000000, 0.1060127600000000, 0.1185826000000000 ] - [ -0.0010368900000000, 0.0001247800000000, 0.0001640800000000 ] - [ 0.0005080900000000, 0.0009163200000000, 0.0023803400000000 ] - [ -0.0008490400000000, -0.0004306800000000, 0.0005817100000000 ] - [ 0.0010103800000000, 0.0019647700000000, 0.0011110600000000 ] - [ -0.0003623000000000, 0.0006098200000000, -0.0006890400000000 ] - [ -0.0003944200000000, 0.0002351900000000, -0.0005087400000000 ] - [ -0.0004520800000000, 0.0002258100000000, -0.0004017900000000 ] - [ 0.0006768200000000, -0.0006546100000000, 0.0010969900000000 ] - [ -0.0001094500000000, -0.0000033200000000, 0.0004828500000000 ] - [ -0.0005453600000000, 0.0003265500000000, -0.0007053500000000 ] - [ -0.0007211500000000, 0.0003703800000000, -0.0007181500000000 ] - [ -0.0010482800000000, -0.0002925200000000, -0.0003858300000000 ] - [ -0.0002887600000000, -0.0005768700000000, 0.0004937300000000 ] - [ 0.0001672500000000, 0.0001797800000000, -0.0001073200000000 ] - [ -0.0000233400000000, 0.0001502100000000, -0.0000910100000000 ] - [ 0.0003009400000000, 0.0000548400000000, -0.0009656800000000 ] - [ 0.0001104900000000, 0.0000244100000000, -0.0009467900000000 ] - [ 0.0007285400000000, -0.0001227000000000, -0.0006742900000000 ] - [ 0.0006723800000000, -0.0001312400000000, -0.0005727300000000 ] - [ -0.0002831600000000, -0.0002385500000000, -0.0006218100000000 ] - [ 0.0004992800000000, -0.0005283900000000, 0.0002829900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005627300000000, -0.0008425800000000, 0.0015634100000000 ] - [ 0.0004311000000000, -0.0009506700000000, 0.0012203200000000 ] - [ 0.0003582000000000, -0.0066036700000000, -0.0057259400000000 ] - [ 0.0002255200000000, 0.0003759000000000, -0.0020816000000000 ] - [ 0.0060728500000000, 0.0128504800000000, -0.0036368000000000 ] - [ -0.0001777600000000, 0.0005476600000000, -0.0008643900000000 ] - [ -0.0004817500000000, 0.0007917000000000, 0.0013121900000000 ] - [ 0.0005076400000000, 0.0006842100000000, 0.0009694600000000 ] - [ -0.0005273700000000, -0.0006062000000000, 0.0014985000000000 ] - [ -0.0001182800000000, -0.0005998300000000, 0.0016416900000000 ] - [ -0.0006490500000000, 0.0006963500000000, 0.0016559400000000 ] - [ 0.0001410000000000, 0.0010819300000000, 0.0024320800000000 ] - [ 0.0064860600000000, 0.0116635500000000, -0.0044965900000000 ] - [ 0.0003121500000000, -0.0005720200000000, -0.0017564500000000 ] - [ -0.0000417000000000, 0.0005180000000000, 0.0006037800000000 ] - [ 0.0003675800000000, 0.0005242800000000, 0.0007453000000000 ] - [ -0.0001533400000000, -0.0077532000000000, -0.0044779400000000 ] - [ -0.0003261800000000, -0.0007765500000000, -0.0009168700000000 ] - [ -0.0085539000000000, 0.0056294600000000, 0.0070806400000000 ] - [ 0.0016024200000000, -0.0004925100000000, -0.0005932500000000 ] - [ -0.0086872900000000, 0.0072336700000000, 0.0074013100000000 ] - [ 0.0015215700000000, 0.0011362000000000, -0.0003341700000000 ] - [ -0.0000957100000000, -0.0004566400000000, 0.0005017800000000 ] - [ 0.0006939000000000, -0.0000696600000000, 0.0012785500000000 ] - [ -0.0002236800000000, 0.0010934300000000, -0.0004339900000000 ] - [ 0.0000407700000000, 0.0005946100000000, -0.0000703000000000 ] - [ -0.0003004500000000, 0.0004192800000000, 0.0005930100000000 ] - [ 0.0006005800000000, 0.0004611000000000, 0.0006328300000000 ] - [ -0.0004007500000000, -0.0001553900000000, -0.0004363300000000 ] - [ 0.0002432300000000, -0.0002807800000000, -0.0003519600000000 ] - [ -0.0001240300000000, 0.0002577400000000, 0.0011620000000000 ] - [ 0.0000040800000000, 0.0003077600000000, 0.0003856000000000 ] - [ -0.0005788200000000, -0.0006483900000000, 0.0008770300000000 ] - [ 0.0003195300000000, -0.0006062500000000, 0.0009154900000000 ] - [ -0.0003173700000000, 0.0005765600000000, -0.0003521000000000 ] - [ 0.0003244800000000, 0.0004464900000000, -0.0002670600000000 ] - [ -0.0000408600000000, -0.0004763500000000, 0.0012485400000000 ] - [ 0.0000865400000000, -0.0004258600000000, 0.0004781200000000 ] - [ 0.0000561700000000, 0.0000313300000000, -0.0007100000000000 ] - [ 0.0003200300000000, -0.0004708900000000, -0.0003517600000000 ] - [ 0.0000004200000000, -0.0000482700000000, 0.0005506300000000 ] - [ 0.0001319700000000, -0.0002438500000000, 0.0009463900000000 ] - [ -0.0030881100000000, -0.0060446300000000, -0.0047586000000000 ] - [ 0.0002824200000000, 0.0014712300000000, -0.0001829300000000 ] - [ 0.0000001000000000, -0.0000720400000000, -0.0002031800000000 ] - [ -0.0000001700000000, -0.0000715000000000, -0.0002032400000000 ] - [ 0.0002078500000000, -0.0005783200000000, -0.0010270100000000 ] - [ 0.0003371400000000, -0.0007725600000000, -0.0006351400000000 ] - [ -0.0011766300000000, -0.0001999700000000, 0.0009386300000000 ] - [ -0.0012512100000000, -0.0002133100000000, 0.0008775200000000 ] - [ -0.0001817500000000, 0.0016356400000000, -0.0000509000000000 ] - [ -0.0002332100000000, 0.0011007900000000, -0.0009922500000000 ] - [ 0.0003033000000000, 0.0002833100000000, -0.0003527400000000 ] - [ 0.0002431800000000, 0.0002002400000000, -0.0006388200000000 ] - [ -0.0001659300000000, -0.0003055900000000, 0.0017441000000000 ] - [ -0.0002401100000000, -0.0003187200000000, 0.0016823400000000 ] - [ 0.0002768800000000, -0.0003851800000000, -0.0012442600000000 ] - [ 0.0003356300000000, -0.0004835400000000, -0.0026597700000000 ] - [ 0.0012933000000000, -0.0002746400000000, -0.0004478900000000 ] - [ 0.0013487000000000, -0.0003797600000000, -0.0018632500000000 ] - [ -0.2126437400000000, -0.6064519100000000, -0.5342261800000000 ] - [ -0.0004211800000000, -0.0008287200000000, -0.0007585200000000 ] - [ -0.0001085500000000, -0.0001165300000000, 0.0003767700000000 ] - [ -0.0001691900000000, -0.0001996300000000, 0.0000868500000000 ] - [ -0.0006338600000000, -0.0088837800000000, -0.0007375000000000 ] - [ -0.0006496400000000, -0.0088665600000000, -0.0007332400000000 ] - [ -0.0006268000000000, 0.0021259600000000, 0.0006612400000000 ] - [ -0.0006473100000000, 0.0015010500000000, -0.0002611300000000 ] - [ -0.0033051900000000, -0.0065988400000000, -0.0031856200000000 ] - [ 0.0000766500000000, 0.0009458600000000, 0.0014022800000000 ] - [ 0.0004344300000000, -0.0009183000000000, 0.0008152000000000 ] - [ 0.0004647600000000, -0.0011419800000000, 0.0010627600000000 ] - [ 0.0012319500000000, -0.0009606600000000, 0.0021628900000000 ] - [ -0.0005014400000000, 0.0002352900000000, 0.0011274900000000 ] - [ -0.0001582800000000, -0.0000154900000000, -0.0002992000000000 ] - [ -0.0005421500000000, 0.0004760700000000, -0.0012902100000000 ] - [ 0.0000026200000000, -0.0005447300000000, -0.0009331100000000 ] - [ -0.0000282900000000, -0.0005619100000000, -0.0009971100000000 ] - [ 0.1122596100000000, 0.2961126200000000, 0.2740083500000000 ] - [ 0.0002313200000000, 0.0008280400000000, 0.0012771800000000 ] - [ 0.0000233300000000, 0.0005943400000000, -0.0001676000000000 ] - [ -0.0000071500000000, 0.0005793300000000, -0.0002325800000000 ] - [ -0.0000473500000000, -0.0003782300000000, -0.0006269100000000 ] - [ -0.0000609100000000, -0.0005745400000000, -0.0001188500000000 ] - [ 0.0022306500000000, 0.0048674100000000, 0.0041604900000000 ] - [ -0.0025848900000000, 0.0059602300000000, 0.0017969600000000 ] - [ 0.0034783200000000, 0.0041777600000000, -0.0013572200000000 ] - [ -0.0004733300000000, -0.0010942400000000, -0.0001451100000000 ] - [ -0.0001264500000000, 0.0002446900000000, -0.0005138300000000 ] - [ -0.0004847100000000, 0.0007215200000000, 0.0000035400000000 ] - [ 0.0034019900000000, 0.0055182300000000, -0.0018676600000000 ] - [ -0.0005694900000000, 0.0002330700000000, -0.0006498100000000 ] - [ -0.0005460700000000, -0.0020274800000000, 0.0022461300000000 ] - [ -0.0019663900000000, -0.0004831800000000, 0.0013453500000000 ] - [ 0.0016818200000000, -0.0007830200000000, 0.0000563400000000 ] - [ -0.0011410100000000, -0.0019642800000000, -0.0018008700000000 ] - [ 0.0001573500000000, -0.0012384500000000, -0.0011405900000000 ] - [ -0.0004900700000000, -0.0005534600000000, -0.0005973500000000 ] - [ 0.0006491400000000, 0.0002014900000000, -0.0007456600000000 ] - [ 0.0001838600000000, 0.0003350100000000, -0.0009332700000000 ] - [ 0.0015770800000000, 0.0003161300000000, -0.0000317500000000 ] - [ -0.0012415400000000, -0.0009146100000000, -0.0019027000000000 ] - [ 0.0022510600000000, 0.0037105900000000, 0.0049146700000000 ] - [ -0.0025579600000000, 0.0048185100000000, 0.0025658400000000 ] - [ 0.0006198700000000, -0.0000724700000000, -0.0005165700000000 ] - [ 0.0002377000000000, 0.0004201400000000, -0.0014985700000000 ] - [ 0.0010942200000000, -0.0010931300000000, 0.0029964400000000 ] - [ -0.0006268800000000, 0.0001034900000000, 0.0019653200000000 ] - [ 0.0002504600000000, 0.0000908800000000, -0.0006367000000000 ] - [ -0.0003953500000000, 0.0007772400000000, -0.0000906900000000 ] - [ 0.0003590500000000, -0.0007893900000000, -0.0017970700000000 ] - [ 0.0000013600000000, -0.0003117800000000, -0.0012810200000000 ] - [ 0.0000548100000000, 0.0007272900000000, -0.0005391400000000 ] - [ 0.0000375500000000, 0.0005241100000000, -0.0000276800000000 ] - [ 0.1051027100000000, 0.2886381400000000, 0.2584595000000000 ] - [ -0.0009127100000000, 0.0004709000000000, 0.0007934800000000 ] - [ 0.0012188400000000, 0.0025686200000000, 0.0040769300000000 ] - [ -0.0020940800000000, -0.0003445700000000, 0.0007717700000000 ] - [ 0.0017077500000000, 0.0036185800000000, 0.0028127600000000 ] - [ -0.0016175200000000, 0.0006912800000000, -0.0005081700000000 ] - [ -0.0001795300000000, 0.0002670200000000, -0.0011896800000000 ] - [ -0.0002918600000000, 0.0002821600000000, -0.0011128000000000 ] - [ 0.0005789600000000, -0.0016865500000000, 0.0020744500000000 ] - [ -0.0008305600000000, -0.0001251500000000, 0.0011752500000000 ] - [ -0.0004968500000000, 0.0005587000000000, -0.0012338200000000 ] - [ -0.0009613200000000, 0.0006919800000000, -0.0014214100000000 ] - [ -0.0006981700000000, -0.0015022800000000, -0.0001865700000000 ] - [ -0.0002244500000000, -0.0008028900000000, 0.0006754700000000 ] - [ 0.0004366100000000, 0.0003002600000000, -0.0007135600000000 ] - [ 0.0000555000000000, 0.0002512000000000, -0.0008700800000000 ] - [ 0.0005629400000000, 0.0001707100000000, -0.0015561900000000 ] - [ 0.0001834700000000, 0.0001218800000000, -0.0017164000000000 ] - [ 0.0009437900000000, -0.0000907300000000, -0.0013576800000000 ] - [ 0.0008356900000000, -0.0000743300000000, -0.0012882800000000 ] - [ 0.0001102400000000, -0.0014689800000000, -0.0003576300000000 ] - [ 0.0005566400000000, -0.0007485900000000, 0.0004618500000000 ]- atom: 61 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0004235400000000, -0.0007484600000000, 0.0010312600000000 ] - [ 0.0003144900000000, -0.0008637000000000, 0.0008707000000000 ] - [ 0.0061395400000000, -0.0095244800000000, 0.0036890700000000 ] - [ 0.0003713700000000, 0.0002629500000000, -0.0018598100000000 ] - [ 0.0035580800000000, 0.0081146700000000, -0.0038817800000000 ] - [ -0.0000115200000000, 0.0007051200000000, -0.0004026900000000 ] - [ -0.0003431300000000, 0.0008870400000000, 0.0007771300000000 ] - [ 0.0003929000000000, 0.0007725100000000, 0.0006118200000000 ] - [ -0.0004481200000000, -0.0006093900000000, 0.0011722400000000 ] - [ -0.0001496600000000, -0.0006020100000000, 0.0012956100000000 ] - [ -0.0005301300000000, 0.0006970900000000, 0.0013352500000000 ] - [ 0.0000129700000000, 0.0010356400000000, 0.0020754200000000 ] - [ 0.0040223000000000, 0.0069442200000000, -0.0047744100000000 ] - [ 0.0004734400000000, -0.0004335400000000, -0.0012888600000000 ] - [ 0.0000373600000000, 0.0005226700000000, 0.0002794600000000 ] - [ 0.0003362700000000, 0.0005294900000000, 0.0004046700000000 ] - [ 0.0056731700000000, -0.0107762300000000, 0.0048639500000000 ] - [ -0.0001818300000000, -0.0008974500000000, -0.0007030000000000 ] - [ -0.0085866100000000, 0.0056257500000000, 0.0085246400000000 ] - [ 0.0015437500000000, -0.0007116000000000, -0.0001665900000000 ] - [ -0.0087241600000000, 0.0073256100000000, 0.0088020100000000 ] - [ 0.0014588400000000, 0.0009239600000000, 0.0000807500000000 ] - [ 0.0000190800000000, -0.0004589400000000, 0.0001724100000000 ] - [ 0.0005667800000000, -0.0001185300000000, 0.0009115900000000 ] - [ -0.0003348000000000, 0.0011742800000000, -0.0003237100000000 ] - [ 0.0000801800000000, 0.0006733400000000, 0.0000097800000000 ] - [ -0.0001602700000000, 0.0003996200000000, 0.0003596700000000 ] - [ 0.0004914600000000, 0.0004275900000000, 0.0004216200000000 ] - [ -0.0002613900000000, -0.0001277800000000, -0.0004634000000000 ] - [ 0.0001757200000000, -0.0000803500000000, -0.0001664200000000 ] - [ -0.0001509500000000, 0.0002293900000000, 0.0007302900000000 ] - [ 0.0000019300000000, 0.0002926500000000, 0.0002456400000000 ] - [ -0.0004400800000000, -0.0006707300000000, 0.0006466000000000 ] - [ 0.0002135300000000, -0.0006431200000000, 0.0007058300000000 ] - [ -0.0001823200000000, 0.0006047000000000, -0.0003645900000000 ] - [ 0.0002562300000000, 0.0006529300000000, -0.0000686200000000 ] - [ -0.0000698000000000, -0.0005066500000000, 0.0008271300000000 ] - [ 0.0000803300000000, -0.0004425800000000, 0.0003385100000000 ] - [ -0.0000544300000000, 0.0001075900000000, -0.0006169400000000 ] - [ 0.0003578700000000, -0.0003951200000000, -0.0002786300000000 ] - [ -0.0000975100000000, 0.0001518700000000, 0.0005468700000000 ] - [ 0.0000884200000000, -0.0001534700000000, 0.0009143000000000 ] - [ -0.0022982200000000, -0.0044595600000000, -0.0035650400000000 ] - [ 0.0001350000000000, 0.0008422700000000, -0.0004944100000000 ] - [ -0.0000191600000000, 0.0000218500000000, -0.0001566900000000 ] - [ -0.0000195100000000, 0.0000223100000000, -0.0001568900000000 ] - [ 0.0001121300000000, -0.0003824100000000, -0.0010271500000000 ] - [ 0.0002976900000000, -0.0006903400000000, -0.0006626100000000 ] - [ -0.0009565800000000, -0.0001140000000000, 0.0005108300000000 ] - [ -0.0010491300000000, -0.0001352800000000, 0.0005204400000000 ] - [ 0.0005045300000000, -0.0003814100000000, 0.0004108300000000 ] - [ -0.0001001600000000, 0.0007435900000000, -0.0008315400000000 ] - [ 0.0002758000000000, 0.0002627200000000, -0.0003423200000000 ] - [ 0.0002787200000000, 0.0002861200000000, -0.0005192500000000 ] - [ 0.0000503000000000, -0.0002209500000000, 0.0013259300000000 ] - [ -0.0000426000000000, -0.0002425200000000, 0.0013350500000000 ] - [ -0.0005981000000000, -0.0001682100000000, 0.0005838100000000 ] - [ 0.0002898800000000, -0.0005013100000000, -0.0027603300000000 ] - [ 0.0004196900000000, -0.0000719400000000, 0.0013823000000000 ] - [ 0.0012936900000000, -0.0003931200000000, -0.0019350500000000 ] - [ -0.1574943100000000, -0.4266840600000000, -0.6197126900000000 ] - [ -0.0002905100000000, -0.0005653900000000, -0.0005174100000000 ] - [ -0.0001374200000000, -0.0001390200000000, 0.0003880400000000 ] - [ -0.0001345800000000, -0.0001143900000000, 0.0002100300000000 ] - [ -0.0022407200000000, -0.0095993200000000, -0.0012144200000000 ] - [ -0.0022371700000000, -0.0095364500000000, -0.0012000800000000 ] - [ 0.0001027500000000, -0.0000036600000000, 0.0011546500000000 ] - [ -0.0005073800000000, 0.0011269000000000, -0.0000927300000000 ] - [ -0.0024857900000000, -0.0049516400000000, -0.0019546000000000 ] - [ -0.0000712700000000, 0.0003095900000000, 0.0010845700000000 ] - [ 0.0002858300000000, -0.0006122600000000, 0.0005335300000000 ] - [ 0.0003341900000000, -0.0008337000000000, 0.0007668500000000 ] - [ 0.0017587300000000, -0.0014039400000000, 0.0011545400000000 ] - [ -0.0005572600000000, 0.0001793800000000, 0.0010132000000000 ] - [ -0.0002385700000000, -0.0000138000000000, -0.0001338600000000 ] - [ -0.0005457800000000, 0.0002700600000000, -0.0008147900000000 ] - [ 0.0000128200000000, -0.0005962000000000, -0.0007546000000000 ] - [ -0.0000038300000000, -0.0006076500000000, -0.0008317200000000 ] - [ 0.0830777900000000, 0.2168766000000000, 0.3016079200000000 ] - [ 0.0001399800000000, 0.0007364200000000, 0.0009740700000000 ] - [ 0.0000332900000000, 0.0005352900000000, 0.0000115500000000 ] - [ 0.0000183600000000, 0.0005251500000000, -0.0000653200000000 ] - [ -0.0000241300000000, -0.0004998100000000, -0.0004508300000000 ] - [ -0.0000738600000000, -0.0006001800000000, -0.0000513600000000 ] - [ 0.0024981800000000, 0.0052053700000000, 0.0035138300000000 ] - [ -0.0029018800000000, 0.0065615700000000, 0.0018156500000000 ] - [ 0.0023788600000000, 0.0029909300000000, -0.0005823500000000 ] - [ -0.0003417500000000, -0.0007611300000000, 0.0000300000000000 ] - [ -0.0001078300000000, 0.0002556100000000, -0.0001916200000000 ] - [ -0.0004526400000000, 0.0007043200000000, 0.0001502500000000 ] - [ 0.0022616200000000, 0.0042731900000000, -0.0010857500000000 ] - [ -0.0004409600000000, 0.0005614500000000, -0.0004757100000000 ] - [ -0.0000954400000000, -0.0026758200000000, 0.0013027400000000 ] - [ -0.0023426100000000, -0.0005467500000000, 0.0010503500000000 ] - [ 0.0013185400000000, -0.0006990700000000, 0.0000776400000000 ] - [ -0.0007847200000000, -0.0006892100000000, -0.0014251900000000 ] - [ 0.0001689100000000, -0.0011184300000000, -0.0008511900000000 ] - [ -0.0004181200000000, -0.0006004400000000, -0.0005632900000000 ] - [ 0.0006324100000000, 0.0000568800000000, -0.0004194700000000 ] - [ 0.0002798200000000, 0.0001634200000000, -0.0006087700000000 ] - [ 0.0011950900000000, 0.0004090700000000, -0.0000140200000000 ] - [ -0.0008837600000000, 0.0004322900000000, -0.0015226000000000 ] - [ 0.0025046900000000, 0.0040366800000000, 0.0042496600000000 ] - [ -0.0029052500000000, 0.0054510800000000, 0.0025902200000000 ] - [ 0.0005456100000000, -0.0000654000000000, -0.0003502500000000 ] - [ 0.0002358400000000, 0.0002191200000000, -0.0010280100000000 ] - [ 0.0016401800000000, -0.0015410300000000, 0.0020100100000000 ] - [ -0.0006918200000000, 0.0000544600000000, 0.0018752500000000 ] - [ 0.0002673600000000, 0.0002109500000000, -0.0003455500000000 ] - [ -0.0003205300000000, 0.0007250400000000, -0.0000619300000000 ] - [ 0.0003842900000000, -0.0007905900000000, -0.0014720400000000 ] - [ 0.0000406400000000, -0.0003403100000000, -0.0011255800000000 ] - [ 0.0000827400000000, 0.0006082000000000, -0.0003630600000000 ] - [ 0.0000292300000000, 0.0005049600000000, 0.0000382200000000 ] - [ 0.0752128900000000, 0.2059134300000000, 0.2941375100000000 ] - [ -0.0010037200000000, 0.0003856300000000, 0.0004881700000000 ] - [ 0.0008592200000000, 0.0018564300000000, 0.0034509300000000 ] - [ -0.0012759000000000, -0.0004006300000000, 0.0007701500000000 ] - [ 0.0013416500000000, 0.0028750600000000, 0.0021486100000000 ] - [ -0.0007847500000000, 0.0006405100000000, -0.0005069900000000 ] - [ -0.0002935000000000, 0.0002521400000000, -0.0007712500000000 ] - [ -0.0003606300000000, 0.0002683500000000, -0.0007811000000000 ] - [ 0.0010322800000000, -0.0022942000000000, 0.0011063000000000 ] - [ -0.0012299600000000, -0.0001890100000000, 0.0008798500000000 ] - [ -0.0005109800000000, 0.0004079700000000, -0.0009039000000000 ] - [ -0.0008643300000000, 0.0005146400000000, -0.0010927600000000 ] - [ -0.0010151300000000, -0.0008101300000000, -0.0012074500000000 ] - [ -0.0003483400000000, -0.0006442600000000, 0.0005344800000000 ] - [ 0.0002756100000000, 0.0002329100000000, -0.0003455600000000 ] - [ 0.0000185300000000, 0.0002156500000000, -0.0005243100000000 ] - [ 0.0004089500000000, 0.0001072200000000, -0.0012010200000000 ] - [ 0.0001515100000000, 0.0000897600000000, -0.0013809600000000 ] - [ 0.0008299100000000, -0.0001051100000000, -0.0009408300000000 ] - [ 0.0007653100000000, -0.0000883100000000, -0.0009520300000000 ] - [ -0.0002282600000000, -0.0007520700000000, -0.0014433400000000 ] - [ 0.0004320500000000, -0.0005846200000000, 0.0003109200000000 ]- atom: 73 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0001437000000000, -0.0010256300000000, 0.0015411800000000 ] - [ -0.0000213600000000, -0.0007279200000000, -0.0001752100000000 ] - [ 0.0038306700000000, 0.0015430500000000, 0.0000995700000000 ] - [ -0.0013796100000000, 0.0010859900000000, -0.0000858000000000 ] - [ 0.0003654300000000, 0.0023596100000000, -0.0011427000000000 ] - [ -0.0068795700000000, -0.0015772700000000, 0.0002890600000000 ] - [ 0.0001805600000000, 0.0010257900000000, 0.0006865100000000 ] - [ -0.0000942700000000, 0.0008649900000000, -0.0000827400000000 ] - [ -0.0003785400000000, -0.0006022900000000, 0.0010480700000000 ] - [ -0.0001762300000000, -0.0005664700000000, 0.0006586000000000 ] - [ -0.0006079800000000, 0.0005160700000000, 0.0010560800000000 ] - [ 0.0001247300000000, 0.0006453900000000, 0.0008309800000000 ] - [ 0.0045280400000000, 0.0026514400000000, -0.0028794700000000 ] - [ -0.0016476000000000, -0.0007644400000000, -0.0007731700000000 ] - [ 0.0001050000000000, 0.0005670900000000, 0.0000503100000000 ] - [ 0.0003541300000000, 0.0005552600000000, -0.0004076500000000 ] - [ 0.0002498300000000, -0.0007676900000000, -0.0009215700000000 ] - [ -0.0010249100000000, -0.0002185200000000, 0.0007810600000000 ] - [ 0.0001365900000000, -0.0010721300000000, 0.0005536800000000 ] - [ -0.0002694000000000, -0.0006698100000000, -0.0006501300000000 ] - [ 0.0023331200000000, -0.0031202100000000, 0.0001833800000000 ] - [ -0.0011379200000000, 0.0008747900000000, -0.0007850100000000 ] - [ -0.0001901500000000, -0.0005747200000000, 0.0002254900000000 ] - [ 0.0007273400000000, -0.0005127000000000, -0.0006143100000000 ] - [ 0.0044344900000000, 0.0021768200000000, -0.0018605000000000 ] - [ -0.0007771600000000, 0.0005587400000000, -0.0000008300000000 ] - [ -0.0001203700000000, 0.0006247900000000, 0.0002519300000000 ] - [ 0.0003550400000000, 0.0005197500000000, -0.0001774800000000 ] - [ -0.0020277200000000, 0.0007262400000000, 0.0019317800000000 ] - [ -0.0001752700000000, -0.0004197100000000, -0.0007260000000000 ] - [ 0.0002277400000000, 0.0004467100000000, 0.0002872500000000 ] - [ -0.0002533900000000, 0.0003398000000000, -0.0000324300000000 ] - [ -0.0002818000000000, -0.0006498300000000, 0.0004955000000000 ] - [ -0.0001250300000000, -0.0005289700000000, 0.0000820000000000 ] - [ -0.0007174300000000, 0.0001329900000000, 0.0005414200000000 ] - [ 0.0018568500000000, 0.0006574200000000, -0.0001353300000000 ] - [ 0.0003657900000000, -0.0004494900000000, 0.0001742600000000 ] - [ -0.0001560000000000, -0.0004053200000000, 0.0001873200000000 ] - [ 0.0028927000000000, 0.0006327600000000, 0.0008468900000000 ] - [ -0.0004541700000000, -0.0005591000000000, -0.0001777700000000 ] - [ 0.0008478500000000, -0.0014504500000000, 0.0012540100000000 ] - [ -0.0001513700000000, 0.0004020300000000, 0.0007645500000000 ] - [ 0.0004765100000000, 0.0007941600000000, -0.0005708200000000 ] - [ -0.0000682800000000, -0.0002472900000000, -0.0010093900000000 ] - [ 0.0000088500000000, -0.0000822200000000, -0.0000738900000000 ] - [ -0.0000064900000000, -0.0000007700000000, -0.0000459800000000 ] - [ 0.0005292100000000, -0.0009505500000000, -0.0006172200000000 ] - [ 0.0000184800000000, -0.0000751000000000, -0.0007902200000000 ] - [ -0.0007740700000000, -0.0000395100000000, 0.0000971500000000 ] - [ -0.0006009400000000, 0.0000143600000000, -0.0002361800000000 ] - [ -0.0004090000000000, 0.0001959100000000, -0.0003574900000000 ] - [ 0.0005918000000000, -0.0007044700000000, -0.0002423300000000 ] - [ 0.0001867100000000, 0.0000469000000000, -0.0004989800000000 ] - [ 0.0003041500000000, 0.0007216800000000, -0.0002823600000000 ] - [ 0.0001144700000000, -0.0001946100000000, 0.0011291100000000 ] - [ 0.0004793400000000, -0.0000676100000000, 0.0004861100000000 ] - [ 0.0013952900000000, -0.0007928800000000, -0.0045324900000000 ] - [ -0.0007648700000000, -0.0000746600000000, 0.0003220000000000 ] - [ 0.1632787800000000, -0.0348272200000000, -0.2193548700000000 ] - [ 0.0000193500000000, 0.0004557900000000, 0.0026076100000000 ] - [ 0.0005327500000000, 0.0011626200000000, 0.0020146600000000 ] - [ -0.0003425700000000, -0.0005694900000000, -0.0007993000000000 ] - [ -0.0000056200000000, 0.0000610900000000, 0.0003970800000000 ] - [ -0.0001859200000000, -0.0000314700000000, 0.0004918600000000 ] - [ -0.0004990300000000, -0.0014066100000000, -0.0003707300000000 ] - [ 0.0011026600000000, 0.0017781200000000, 0.0003459200000000 ] - [ -0.0003447600000000, -0.0000658100000000, 0.0004095200000000 ] - [ -0.0002215600000000, 0.0004529800000000, 0.0002043400000000 ] - [ 0.0023741900000000, 0.0037710600000000, 0.0026522000000000 ] - [ -0.0005389600000000, -0.0020631500000000, 0.0001130400000000 ] - [ 0.0002358400000000, -0.0005024200000000, 0.0004550300000000 ] - [ 0.0000446200000000, -0.0001215900000000, 0.0001089600000000 ] - [ -0.1705990300000000, 0.0372213100000000, 0.2623299100000000 ] - [ 0.0013409500000000, -0.0001921400000000, -0.0013125500000000 ] - [ -0.0000260100000000, 0.0001028300000000, -0.0002290000000000 ] - [ -0.0007893800000000, -0.0003838300000000, -0.0001129400000000 ] - [ -0.0000376900000000, -0.0005047200000000, -0.0007089300000000 ] - [ -0.0000324400000000, -0.0005737300000000, -0.0004618800000000 ] - [ -0.0006853000000000, -0.0023995600000000, 0.0014182200000000 ] - [ 0.0013495400000000, 0.0006990500000000, 0.0006091100000000 ] - [ -0.0000184900000000, 0.0005414500000000, 0.0001985800000000 ] - [ 0.0000174500000000, 0.0006009600000000, 0.0002688900000000 ] - [ -0.0004565800000000, -0.0007033700000000, 0.0000309800000000 ] - [ 0.0001849500000000, -0.0007558800000000, -0.0003551400000000 ] - [ -0.0002534000000000, 0.0023890900000000, 0.0002056800000000 ] - [ 0.0016888700000000, -0.0023029900000000, -0.0004274700000000 ] - [ -0.0009863100000000, -0.0005847200000000, -0.0003467600000000 ] - [ 0.0004610200000000, -0.0003980100000000, 0.0004377100000000 ] - [ -0.0005825100000000, 0.0008691900000000, 0.0001355800000000 ] - [ -0.0000926800000000, 0.0003966500000000, 0.0007204000000000 ] - [ -0.0016760100000000, -0.0013559200000000, -0.0014756000000000 ] - [ 0.0008172900000000, 0.0020364600000000, 0.0004558900000000 ] - [ -0.0082028100000000, -0.0069283600000000, -0.0419354100000000 ] - [ 0.0017852100000000, 0.0002984200000000, -0.0002258400000000 ] - [ 0.0002515100000000, -0.0002958800000000, -0.0002244400000000 ] - [ 0.0001328400000000, -0.0004502200000000, 0.0002640100000000 ] - [ -0.0002627100000000, -0.0000992600000000, -0.0021883300000000 ] - [ 0.0000416700000000, -0.0006885000000000, -0.0001030100000000 ] - [ 0.0006328300000000, 0.0000872700000000, -0.0002925900000000 ] - [ 0.0004437300000000, -0.0001240800000000, 0.0001154500000000 ] - [ 0.0003455500000000, 0.0003323300000000, -0.0001813400000000 ] - [ -0.0003955300000000, 0.0010284300000000, -0.0001261600000000 ] - [ -0.0003264900000000, -0.0018350900000000, 0.0003205700000000 ] - [ 0.0002027700000000, 0.0007823300000000, 0.0007395300000000 ] - [ 0.0004133900000000, -0.0001548000000000, -0.0004160900000000 ] - [ 0.0002646200000000, -0.0001970100000000, -0.0000639600000000 ] - [ -0.0015986800000000, 0.0007553400000000, 0.0028202000000000 ] - [ 0.0014654400000000, -0.0006339700000000, -0.0000652400000000 ] - [ 0.0001923600000000, 0.0010900400000000, -0.0004735000000000 ] - [ 0.0000984200000000, 0.0005114600000000, 0.0005425500000000 ] - [ -0.0005571400000000, 0.0005526700000000, -0.0014049400000000 ] - [ 0.0004525300000000, -0.0005616900000000, -0.0006442900000000 ] - [ -0.0010050000000000, 0.0004998800000000, -0.0003711600000000 ] - [ 0.0003886600000000, 0.0006158300000000, -0.0000765700000000 ] - [ -0.0015678700000000, -0.0009456500000000, -0.0009811700000000 ] - [ 0.0001677500000000, 0.0001016100000000, 0.0002416500000000 ] - [ -0.0003008300000000, -0.0017979700000000, 0.0003333500000000 ] - [ 0.0001709300000000, -0.0002747100000000, 0.0010326000000000 ] - [ 0.0018891100000000, -0.0023174300000000, -0.0035998200000000 ] - [ 0.0017167900000000, 0.0020769600000000, 0.0009531900000000 ] - [ -0.0003935600000000, 0.0001979600000000, -0.0006440500000000 ] - [ -0.0005648200000000, 0.0001870000000000, 0.0000712100000000 ] - [ 0.0019309400000000, 0.0031293200000000, 0.0026578700000000 ] - [ 0.0016806300000000, -0.0008502000000000, -0.0003396400000000 ] - [ -0.0005772200000000, 0.0003507600000000, -0.0007716600000000 ] - [ -0.0006281900000000, 0.0002267000000000, -0.0003537400000000 ] - [ -0.0018355100000000, -0.0000675000000000, 0.0015461700000000 ] - [ 0.0005179700000000, 0.0004478900000000, -0.0004421600000000 ] - [ 0.0001593400000000, 0.0001364600000000, 0.0000084700000000 ] - [ -0.0001309900000000, 0.0000848000000000, 0.0002432800000000 ] - [ 0.0003687300000000, 0.0000793100000000, -0.0010540800000000 ] - [ -0.0000288600000000, -0.0000435600000000, -0.0004840700000000 ] - [ 0.0006433400000000, -0.0001343800000000, -0.0005881100000000 ] - [ 0.0006355600000000, -0.0001724000000000, -0.0002232500000000 ] - [ -0.0008067700000000, 0.0004524300000000, -0.0001165700000000 ] - [ 0.0009102100000000, -0.0000367800000000, -0.0001247500000000 ]- atom: 73 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0000628900000000, -0.0006049000000000, -0.0012808100000000 ] - [ -0.0000583300000000, -0.0009031700000000, 0.0004363000000000 ] - [ -0.0032776400000000, -0.0003820200000000, -0.0012626200000000 ] - [ 0.0019280100000000, 0.0000685800000000, -0.0010689500000000 ] - [ -0.0005835400000000, -0.0012922900000000, 0.0021859200000000 ] - [ 0.0064006700000000, 0.0026974300000000, 0.0005496300000000 ] - [ -0.0000983400000000, 0.0006054700000000, -0.0009354400000000 ] - [ 0.0001731500000000, 0.0007653500000000, -0.0001728500000000 ] - [ -0.0001081600000000, -0.0005213900000000, -0.0001555000000000 ] - [ -0.0003110400000000, -0.0005569700000000, 0.0002311900000000 ] - [ 0.0000558000000000, 0.0006362200000000, 0.0001047700000000 ] - [ -0.0006777900000000, 0.0005057800000000, 0.0003281400000000 ] - [ -0.0040291600000000, -0.0037181900000000, 0.0019690400000000 ] - [ 0.0021239400000000, -0.0003605400000000, -0.0001163400000000 ] - [ 0.0003811000000000, 0.0005563000000000, -0.0009360000000000 ] - [ 0.0001329800000000, 0.0005679700000000, -0.0004791900000000 ] - [ -0.0007966300000000, -0.0003858100000000, 0.0020706500000000 ] - [ 0.0004664200000000, -0.0009317600000000, 0.0003770900000000 ] - [ -0.0000515500000000, -0.0005591600000000, -0.0008040000000000 ] - [ 0.0003475400000000, -0.0009578900000000, 0.0003887000000000 ] - [ -0.0023886500000000, 0.0047104600000000, 0.0000876700000000 ] - [ 0.0010445100000000, 0.0007565200000000, 0.0010327500000000 ] - [ 0.0007388000000000, -0.0005776400000000, -0.0013755700000000 ] - [ -0.0001724600000000, -0.0006395500000000, -0.0005446100000000 ] - [ -0.0046144100000000, -0.0009903000000000, 0.0019434500000000 ] - [ 0.0004993100000000, 0.0005070800000000, 0.0002837500000000 ] - [ 0.0003986200000000, 0.0004434900000000, -0.0005331500000000 ] - [ -0.0000773700000000, 0.0005490000000000, -0.0001041100000000 ] - [ 0.0019304200000000, -0.0014449800000000, -0.0019966800000000 ] - [ 0.0000934200000000, -0.0003160200000000, 0.0006292800000000 ] - [ -0.0003075600000000, 0.0002874500000000, -0.0003773700000000 ] - [ 0.0001741100000000, 0.0003941500000000, -0.0000562800000000 ] - [ 0.0000031900000000, -0.0004188300000000, -0.0002099500000000 ] - [ -0.0001529400000000, -0.0005378700000000, 0.0001986500000000 ] - [ 0.0007956600000000, 0.0005998300000000, -0.0004466700000000 ] - [ -0.0018286700000000, 0.0000995700000000, 0.0001615700000000 ] - [ -0.0002827400000000, -0.0002845400000000, -0.0000815700000000 ] - [ 0.0002336700000000, -0.0003285400000000, -0.0000955600000000 ] - [ -0.0025879300000000, -0.0016926200000000, -0.0011177100000000 ] - [ 0.0007276300000000, -0.0005085900000000, -0.0001069800000000 ] - [ -0.0010472100000000, 0.0019671500000000, 0.0003300200000000 ] - [ -0.0000544500000000, 0.0001284400000000, 0.0008162600000000 ] - [ -0.0002669600000000, -0.0002595900000000, -0.0010075400000000 ] - [ 0.0002718900000000, 0.0007719100000000, -0.0005736100000000 ] - [ -0.0000087700000000, 0.0000824100000000, 0.0000732500000000 ] - [ 0.0000066300000000, -0.0000006300000000, 0.0000456600000000 ] - [ -0.0003229000000000, 0.0004195100000000, -0.0009631800000000 ] - [ 0.0001874400000000, -0.0004553700000000, -0.0007904900000000 ] - [ -0.0002297300000000, 0.0001473800000000, -0.0009200200000000 ] - [ -0.0004015400000000, 0.0000940100000000, -0.0005883500000000 ] - [ 0.0008091100000000, -0.0005773400000000, -0.0003779900000000 ] - [ -0.0001779000000000, 0.0003045700000000, -0.0004872200000000 ] - [ 0.0002206400000000, 0.0003442700000000, -0.0002340100000000 ] - [ 0.0001057700000000, -0.0003282300000000, -0.0004489500000000 ] - [ 0.0008849300000000, 0.0000849300000000, -0.0002981200000000 ] - [ 0.0005211500000000, -0.0000416600000000, 0.0003425600000000 ] - [ -0.0023875200000000, 0.0006855900000000, 0.0036956300000000 ] - [ -0.0002247900000000, -0.0000380300000000, -0.0011670500000000 ] - [ -0.1612366200000000, 0.0357686000000000, 0.2257729400000000 ] - [ 0.0009774700000000, -0.0003436800000000, -0.0017612500000000 ] - [ -0.0005317100000000, -0.0011583900000000, -0.0020034200000000 ] - [ 0.0003387700000000, 0.0005633700000000, 0.0007904700000000 ] - [ -0.0003983800000000, -0.0004477200000000, 0.0003370500000000 ] - [ -0.0002208600000000, -0.0003577500000000, 0.0002423100000000 ] - [ 0.0005008900000000, 0.0014025100000000, 0.0003714100000000 ] - [ -0.0010930500000000, -0.0017588500000000, -0.0003428000000000 ] - [ -0.0000650200000000, 0.0004596300000000, 0.0003233700000000 ] - [ -0.0001846600000000, -0.0000631100000000, 0.0005287600000000 ] - [ -0.0025775700000000, -0.0042928000000000, -0.0010689300000000 ] - [ 0.0003353300000000, 0.0015446400000000, 0.0014726800000000 ] - [ -0.0002340100000000, 0.0004981500000000, -0.0004509400000000 ] - [ -0.0000437700000000, 0.0001195500000000, -0.0001068000000000 ] - [ 0.1688989800000000, -0.0380883800000000, -0.2689312900000000 ] - [ -0.0011937500000000, 0.0003120000000000, 0.0004430500000000 ] - [ -0.0007532700000000, -0.0000383600000000, 0.0004503100000000 ] - [ 0.0000082300000000, 0.0004452100000000, 0.0003348500000000 ] - [ 0.0000154000000000, -0.0006146800000000, -0.0000611600000000 ] - [ 0.0000082800000000, -0.0005458500000000, -0.0003075200000000 ] - [ 0.0018121200000000, 0.0027308900000000, -0.0009345300000000 ] - [ -0.0001999100000000, -0.0003486300000000, -0.0001291300000000 ] - [ 0.0000402700000000, 0.0005795600000000, 0.0005678300000000 ] - [ 0.0000059000000000, 0.0005204100000000, 0.0004983400000000 ] - [ 0.0003450700000000, -0.0004075800000000, -0.0001240100000000 ] - [ -0.0002894200000000, -0.0003556000000000, 0.0002591000000000 ] - [ 0.0002277700000000, -0.0012652500000000, -0.0009550800000000 ] - [ -0.0016929900000000, 0.0033957200000000, -0.0003427900000000 ] - [ 0.0010782300000000, -0.0007380400000000, 0.0008457300000000 ] - [ -0.0003556100000000, -0.0009180200000000, 0.0000687000000000 ] - [ 0.0000921400000000, 0.0001672300000000, 0.0011432500000000 ] - [ -0.0003973700000000, 0.0006401300000000, 0.0005593300000000 ] - [ 0.0015718700000000, 0.0026693400000000, 0.0009677800000000 ] - [ -0.0009217800000000, -0.0007302800000000, -0.0009653700000000 ] - [ 0.0074971300000000, 0.0066074300000000, 0.0423422700000000 ] - [ -0.0028858100000000, -0.0006523500000000, 0.0003847600000000 ] - [ -0.0001445100000000, -0.0008088800000000, 0.0003149000000000 ] - [ -0.0000233200000000, -0.0006640500000000, -0.0001675000000000 ] - [ 0.0001576300000000, -0.0012157500000000, 0.0016719200000000 ] - [ -0.0001414000000000, -0.0006302600000000, -0.0003997900000000 ] - [ 0.0005088700000000, -0.0004289900000000, 0.0007661500000000 ] - [ 0.0006981600000000, -0.0002186200000000, 0.0003601600000000 ] - [ -0.0004536600000000, 0.0007785300000000, 0.0000858000000000 ] - [ 0.0002893400000000, 0.0000767400000000, 0.0000336700000000 ] - [ 0.0003436700000000, 0.0007003100000000, 0.0004451800000000 ] - [ -0.0001766300000000, -0.0019015300000000, 0.0000316900000000 ] - [ 0.0003655400000000, 0.0000875700000000, 0.0001895700000000 ] - [ 0.0005137100000000, 0.0001312800000000, -0.0001593900000000 ] - [ 0.0014580200000000, -0.0008657100000000, -0.0019484400000000 ] - [ -0.0015974700000000, 0.0005078400000000, 0.0009470000000000 ] - [ -0.0000921700000000, 0.0002291700000000, 0.0009766200000000 ] - [ 0.0000019000000000, 0.0008091600000000, -0.0000392100000000 ] - [ 0.0010400900000000, -0.0015808300000000, 0.0001189900000000 ] - [ 0.0000397000000000, -0.0004748700000000, -0.0006362000000000 ] - [ 0.0011160400000000, 0.0006117400000000, 0.0004612800000000 ] - [ -0.0002812900000000, 0.0004942200000000, 0.0001684900000000 ] - [ 0.0004194100000000, 0.0005951900000000, 0.0005016800000000 ] - [ -0.0013034800000000, -0.0004412700000000, -0.0007112700000000 ] - [ -0.0001916700000000, 0.0007519400000000, 0.0009418800000000 ] - [ -0.0006580600000000, -0.0007591500000000, 0.0002506900000000 ] - [ -0.0013996600000000, 0.0033524200000000, 0.0023057100000000 ] - [ -0.0012494800000000, -0.0010526900000000, -0.0022437800000000 ] - [ -0.0007255800000000, 0.0001625500000000, 0.0008009600000000 ] - [ -0.0005566200000000, 0.0001730100000000, 0.0000888100000000 ] - [ -0.0008005900000000, -0.0027498500000000, -0.0028151900000000 ] - [ -0.0005705600000000, 0.0012205500000000, 0.0001931600000000 ] - [ -0.0005647800000000, -0.0000058300000000, 0.0002908100000000 ] - [ -0.0005139600000000, 0.0001177300000000, -0.0001241400000000 ] - [ 0.0010489100000000, -0.0000024900000000, -0.0013068300000000 ] - [ -0.0012849300000000, -0.0005051600000000, 0.0006600700000000 ] - [ -0.0002933700000000, -0.0000125000000000, 0.0008488800000000 ] - [ -0.0000052100000000, 0.0000386900000000, 0.0006191200000000 ] - [ -0.0002311700000000, -0.0002021100000000, 0.0001880100000000 ] - [ 0.0001648000000000, -0.0000795800000000, -0.0003801100000000 ] - [ 0.0004771600000000, -0.0002260100000000, 0.0004233900000000 ] - [ 0.0004869000000000, -0.0001876900000000, 0.0000595900000000 ] - [ 0.0015872700000000, -0.0003923900000000, -0.0000997900000000 ] - [ -0.0001285700000000, 0.0001021600000000, -0.0000992900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001299400000000, -0.0004569800000000, -0.0004196200000000 ] - [ -0.0001943900000000, -0.0005426800000000, -0.0002498400000000 ] - [ 0.0014860300000000, 0.0042167600000000, 0.0000938300000000 ] - [ 0.0005330900000000, 0.0003873800000000, -0.0003781400000000 ] - [ 0.0006348800000000, 0.0038583800000000, 0.0012796300000000 ] - [ -0.0003618000000000, 0.0019171500000000, 0.0021805400000000 ] - [ 0.0000202900000000, 0.0007794300000000, -0.0005605500000000 ] - [ 0.0000720500000000, 0.0008236100000000, -0.0002832400000000 ] - [ -0.0002214000000000, -0.0005502000000000, 0.0001261400000000 ] - [ -0.0002056500000000, -0.0005800000000000, 0.0001004200000000 ] - [ -0.0002890000000000, 0.0006466100000000, 0.0004808600000000 ] - [ -0.0002645300000000, 0.0007702400000000, 0.0007604600000000 ] - [ 0.0020222700000000, -0.0094165300000000, -0.0010667400000000 ] - [ 0.0002006800000000, -0.0008389900000000, -0.0003453800000000 ] - [ 0.0003062800000000, 0.0005280100000000, -0.0005692700000000 ] - [ 0.0001933100000000, 0.0005420700000000, -0.0005524000000000 ] - [ -0.0002276900000000, -0.0013337000000000, 0.0010700700000000 ] - [ -0.0002616500000000, -0.0010187200000000, 0.0009629700000000 ] - [ 0.0000694500000000, -0.0022795900000000, -0.0000050300000000 ] - [ 0.0000848100000000, -0.0016418900000000, 0.0000263200000000 ] - [ -0.0012343400000000, 0.0024670100000000, 0.0017916300000000 ] - [ 0.0002154100000000, 0.0008473000000000, 0.0004015200000000 ] - [ 0.0004492900000000, -0.0005668500000000, -0.0009608800000000 ] - [ 0.0000967100000000, -0.0005835600000000, -0.0007424700000000 ] - [ 0.0008547500000000, 0.0035032100000000, -0.0010846200000000 ] - [ -0.0000400300000000, 0.0007606200000000, 0.0003092700000000 ] - [ 0.0002422300000000, 0.0003844000000000, -0.0003224700000000 ] - [ 0.0000886700000000, 0.0003068000000000, -0.0003161500000000 ] - [ 0.0004909300000000, -0.0010313500000000, -0.0007698200000000 ] - [ -0.0001811300000000, -0.0002328200000000, -0.0001075300000000 ] - [ -0.0000251600000000, 0.0000625400000000, -0.0003816200000000 ] - [ -0.0000883900000000, 0.0002597600000000, -0.0001666300000000 ] - [ -0.0000632900000000, -0.0005023900000000, -0.0000302700000000 ] - [ -0.0001483900000000, -0.0005540400000000, 0.0000967500000000 ] - [ -0.0000469200000000, 0.0007227300000000, 0.0002193700000000 ] - [ 0.0006710900000000, 0.0024279600000000, 0.0006092500000000 ] - [ -0.0000857700000000, -0.0003545700000000, -0.0000636300000000 ] - [ 0.0000964700000000, -0.0003592800000000, -0.0000424900000000 ] - [ -0.0004511900000000, -0.0008814600000000, -0.0008268100000000 ] - [ 0.0003312900000000, -0.0005048400000000, -0.0002014000000000 ] - [ -0.0004664600000000, 0.0009523600000000, 0.0005557800000000 ] - [ -0.0001391000000000, 0.0003222500000000, 0.0007719200000000 ] - [ -0.0002135500000000, -0.0004146300000000, -0.0009551300000000 ] - [ 0.0000605300000000, 0.0001884000000000, -0.0008128500000000 ] - [ -0.0000441800000000, 0.0001877900000000, 0.0000083700000000 ] - [ -0.0000322000000000, 0.0001471900000000, 0.0000214000000000 ] - [ 0.0002184600000000, -0.0004539700000000, -0.0006962400000000 ] - [ 0.0001477800000000, -0.0004111500000000, -0.0007512700000000 ] - [ -0.0003734500000000, 0.0001055000000000, -0.0006382400000000 ] - [ -0.0004206700000000, 0.0000960900000000, -0.0005740500000000 ] - [ 0.0003147600000000, -0.0001550800000000, -0.0003549100000000 ] - [ -0.0000849300000000, 0.0002723500000000, -0.0005422900000000 ] - [ 0.0002324200000000, 0.0002791200000000, -0.0003158800000000 ] - [ 0.0005958600000000, 0.0007881100000000, -0.0001373300000000 ] - [ 0.0006868600000000, 0.0000282800000000, 0.0000467400000000 ] - [ 0.0006284900000000, -0.0000001300000000, 0.0001867900000000 ] - [ -0.0004256200000000, -0.0002837300000000, -0.0005557800000000 ] - [ -0.0003437900000000, -0.0002370600000000, -0.0012708900000000 ] - [ -0.0328075100000000, 0.0668264300000000, 0.0706767800000000 ] - [ 0.0005460200000000, -0.0000794100000000, -0.0001209400000000 ] - [ -0.0004818900000000, -0.0010305300000000, -0.0017513900000000 ] - [ 0.0000243100000000, 0.0001647100000000, 0.0001286300000000 ] - [ -0.0002961800000000, -0.0003206300000000, 0.0003384100000000 ] - [ -0.0003248400000000, -0.0004532200000000, 0.0002710900000000 ] - [ -0.0009552500000000, -0.0040706000000000, -0.0015993000000000 ] - [ -0.0000950100000000, -0.0005011800000000, -0.0001530800000000 ] - [ 0.0029121900000000, -0.0038150300000000, 0.0022484600000000 ] - [ -0.0000410800000000, -0.0001592300000000, 0.0005068000000000 ] - [ -0.0002457100000000, -0.0003488500000000, 0.0008076300000000 ] - [ -0.0003978600000000, -0.0013977300000000, 0.0003520600000000 ] - [ -0.0001161000000000, 0.0002321900000000, -0.0002224700000000 ] - [ -0.0000862600000000, 0.0001835800000000, -0.0001927500000000 ] - [ 0.0368682600000000, -0.0581448900000000, -0.0856225900000000 ] - [ -0.0001791800000000, -0.0000055200000000, -0.0003464500000000 ] - [ -0.0005256000000000, -0.0000228400000000, 0.0002897600000000 ] - [ -0.0005903100000000, -0.0007138700000000, 0.0009258400000000 ] - [ -0.0000174900000000, -0.0006871700000000, -0.0001824800000000 ] - [ 0.0000535600000000, -0.0006487100000000, -0.0002385700000000 ] - [ 0.0001670200000000, 0.0024031900000000, -0.0008717900000000 ] - [ 0.0005959900000000, -0.0000169600000000, 0.0001152800000000 ] - [ 0.0000634600000000, 0.0004769000000000, 0.0004775900000000 ] - [ 0.0000301000000000, 0.0004458800000000, 0.0004297200000000 ] - [ 0.0001150900000000, -0.0004361400000000, 0.0001377500000000 ] - [ -0.0001236900000000, -0.0004695600000000, 0.0001069300000000 ] - [ 0.0024474800000000, 0.0037641400000000, -0.0023705100000000 ] - [ -0.0002312100000000, 0.0011319000000000, -0.0004890400000000 ] - [ 0.0005014100000000, -0.0006686500000000, 0.0005176700000000 ] - [ 0.0000490500000000, -0.0005974500000000, 0.0002721700000000 ] - [ -0.0002671500000000, 0.0007080600000000, 0.0006445000000000 ] - [ -0.0002862700000000, 0.0006801600000000, 0.0006591100000000 ] - [ -0.0009948000000000, 0.0008362200000000, 0.0001310400000000 ] - [ 0.0002207900000000, 0.0013811600000000, 0.0000512900000000 ] - [ -0.0082158200000000, -0.0220670900000000, 0.0172010900000000 ] - [ -0.0012241300000000, -0.0005485700000000, 0.0000566200000000 ] - [ 0.0000678000000000, -0.0008068600000000, 0.0001216100000000 ] - [ 0.0000931300000000, -0.0006652300000000, 0.0000243100000000 ] - [ 0.0000599800000000, -0.0008470400000000, 0.0004757700000000 ] - [ -0.0000439700000000, -0.0007067200000000, -0.0002222300000000 ] - [ 0.0005530100000000, -0.0003458800000000, 0.0004777600000000 ] - [ 0.0006071600000000, -0.0003691600000000, 0.0004495600000000 ] - [ -0.0001796900000000, 0.0008569400000000, -0.0000797400000000 ] - [ -0.0013226600000000, 0.0058980800000000, 0.0000413200000000 ] - [ -0.0000750200000000, 0.0000343600000000, 0.0004059700000000 ] - [ -0.0002978200000000, 0.0031255700000000, 0.0005913700000000 ] - [ 0.0003760600000000, 0.0000548400000000, 0.0000007400000000 ] - [ 0.0005094600000000, 0.0001475700000000, -0.0000304500000000 ] - [ 0.0007389500000000, 0.0002496200000000, 0.0006454100000000 ] - [ -0.0006371500000000, 0.0002706900000000, 0.0011239700000000 ] - [ 0.0001101200000000, 0.0006962700000000, 0.0000016200000000 ] - [ -0.0000866600000000, 0.0006438000000000, 0.0000381100000000 ] - [ 0.0005425400000000, -0.0009529800000000, -0.0003145000000000 ] - [ 0.0001982800000000, -0.0005692700000000, -0.0005233900000000 ] - [ -0.0000601700000000, -0.0005855800000000, 0.0001615100000000 ] - [ 0.0000748500000000, 0.0004163100000000, 0.0000954000000000 ] - [ -0.0007458100000000, 0.0021154400000000, -0.0005199600000000 ] - [ -0.0006008400000000, -0.0000531100000000, -0.0004666200000000 ] - [ -0.0004184500000000, -0.0001150700000000, 0.0012866400000000 ] - [ -0.0002767900000000, -0.0004296700000000, 0.0007010700000000 ] - [ -0.0006297000000000, 0.0002428200000000, -0.0000628000000000 ] - [ 0.0017847600000000, 0.0004689100000000, -0.0001960000000000 ] - [ -0.0006852500000000, 0.0002017900000000, 0.0004495100000000 ] - [ -0.0005684300000000, 0.0002007500000000, 0.0003167900000000 ] - [ 0.0019730500000000, 0.0005844800000000, 0.0001866900000000 ] - [ -0.0007682600000000, 0.0005865700000000, 0.0001617200000000 ] - [ -0.0005634500000000, 0.0000661400000000, 0.0000163300000000 ] - [ -0.0005089200000000, 0.0000523300000000, -0.0000346400000000 ] - [ 0.0000463400000000, -0.0002162000000000, -0.0002327500000000 ] - [ -0.0008210300000000, -0.0003960100000000, 0.0003581500000000 ] - [ -0.0001424800000000, 0.0000566000000000, 0.0006189900000000 ] - [ -0.0000920200000000, 0.0000954800000000, 0.0005622500000000 ] - [ -0.0000688800000000, -0.0001268200000000, -0.0001126600000000 ] - [ 0.0000516100000000, -0.0000940000000000, -0.0002351700000000 ] - [ 0.0005327400000000, -0.0001826100000000, 0.0001545300000000 ] - [ 0.0005102800000000, -0.0001643000000000, 0.0000582600000000 ] - [ -0.0008842400000000, 0.0048835100000000, -0.0034026000000000 ] - [ 0.0003158000000000, 0.0002537700000000, -0.0003249200000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002137100000000, -0.0011781900000000, 0.0006854000000000 ] - [ 0.0001190300000000, -0.0010936900000000, 0.0005127600000000 ] - [ -0.0010317600000000, -0.0034072200000000, -0.0014591800000000 ] - [ 0.0000150600000000, 0.0007695200000000, -0.0007905900000000 ] - [ -0.0011188600000000, -0.0027338700000000, -0.0004039900000000 ] - [ -0.0001690000000000, -0.0008206500000000, -0.0013326900000000 ] - [ 0.0000600200000000, 0.0008610500000000, 0.0003159500000000 ] - [ 0.0000070800000000, 0.0008126200000000, 0.0000304200000000 ] - [ -0.0002651300000000, -0.0005826700000000, 0.0007724100000000 ] - [ -0.0002803100000000, -0.0005523300000000, 0.0007966500000000 ] - [ -0.0002633700000000, 0.0005110300000000, 0.0006889100000000 ] - [ -0.0002864500000000, 0.0003900600000000, 0.0004189000000000 ] - [ -0.0015069600000000, 0.0083506000000000, 0.0001418900000000 ] - [ 0.0002787200000000, -0.0002912400000000, -0.0005491700000000 ] - [ 0.0001776400000000, 0.0006040300000000, -0.0003154700000000 ] - [ 0.0002937400000000, 0.0005896500000000, -0.0003330000000000 ] - [ -0.0003236400000000, 0.0001774800000000, 0.0000802700000000 ] - [ -0.0002919400000000, -0.0001342700000000, 0.0001914500000000 ] - [ -0.0000037200000000, 0.0006436200000000, -0.0002499600000000 ] - [ 0.0000073800000000, 0.0000119900000000, -0.0002878000000000 ] - [ 0.0011814400000000, -0.0009055800000000, -0.0015414500000000 ] - [ -0.0002997900000000, 0.0007858800000000, -0.0001505300000000 ] - [ 0.0000959300000000, -0.0005895400000000, -0.0001908800000000 ] - [ 0.0004604600000000, -0.0005703600000000, -0.0004153300000000 ] - [ -0.0010879800000000, -0.0024142800000000, 0.0013087600000000 ] - [ -0.0002381400000000, 0.0003085300000000, -0.0000265800000000 ] - [ 0.0000343200000000, 0.0006851800000000, 0.0000404000000000 ] - [ 0.0001940000000000, 0.0007629200000000, 0.0000366600000000 ] - [ -0.0006032000000000, 0.0003199400000000, 0.0007147600000000 ] - [ 0.0001027100000000, -0.0004996900000000, 0.0000113700000000 ] - [ -0.0000575000000000, 0.0006723800000000, 0.0002973500000000 ] - [ 0.0000098200000000, 0.0004747600000000, 0.0000752100000000 ] - [ -0.0002168000000000, -0.0005692700000000, 0.0003203600000000 ] - [ -0.0001287800000000, -0.0005158500000000, 0.0001895900000000 ] - [ 0.0001231300000000, 0.0000115900000000, -0.0001267500000000 ] - [ -0.0006045900000000, -0.0016807900000000, -0.0005341100000000 ] - [ 0.0001687200000000, -0.0003823500000000, 0.0001618000000000 ] - [ -0.0000189900000000, -0.0003762100000000, 0.0001382600000000 ] - [ 0.0007660000000000, -0.0001675800000000, 0.0005645600000000 ] - [ -0.0000572400000000, -0.0005625700000000, -0.0000841300000000 ] - [ 0.0002707400000000, -0.0004408400000000, 0.0010275500000000 ] - [ -0.0000682600000000, 0.0002112700000000, 0.0008058100000000 ] - [ 0.0004211400000000, 0.0009452100000000, -0.0006239500000000 ] - [ 0.0001463900000000, 0.0003429100000000, -0.0007662300000000 ] - [ 0.0000445800000000, -0.0001881200000000, -0.0000099400000000 ] - [ 0.0000320200000000, -0.0001473100000000, -0.0000228600000000 ] - [ -0.0000078200000000, -0.0000839400000000, -0.0008804400000000 ] - [ 0.0000626000000000, -0.0001280300000000, -0.0008243300000000 ] - [ -0.0006364100000000, 0.0000003400000000, -0.0001712600000000 ] - [ -0.0005906300000000, 0.0000096700000000, -0.0002322500000000 ] - [ 0.0000992900000000, -0.0002583500000000, -0.0003717300000000 ] - [ 0.0005075500000000, -0.0006878000000000, -0.0001830100000000 ] - [ 0.0001808300000000, 0.0001220700000000, -0.0004146500000000 ] - [ -0.0001879900000000, -0.0003971800000000, -0.0005979600000000 ] - [ 0.0003153800000000, -0.0001370700000000, 0.0007770600000000 ] - [ 0.0003745900000000, -0.0001082400000000, 0.0006340500000000 ] - [ -0.0005720600000000, 0.0001724000000000, -0.0002794500000000 ] - [ -0.0006508300000000, 0.0001251700000000, 0.0004249500000000 ] - [ 0.0353515900000000, -0.0683964900000000, -0.0731172900000000 ] - [ 0.0004615500000000, 0.0001864800000000, 0.0009393100000000 ] - [ 0.0004761000000000, 0.0010232600000000, 0.0017464400000000 ] - [ -0.0000278800000000, -0.0001739900000000, -0.0001400400000000 ] - [ -0.0001118600000000, -0.0000732800000000, 0.0003940700000000 ] - [ -0.0000859500000000, 0.0000577100000000, 0.0004610700000000 ] - [ 0.0009498700000000, 0.0040706800000000, 0.0016065500000000 ] - [ 0.0000924300000000, 0.0004967200000000, 0.0001540200000000 ] - [ -0.0033247300000000, 0.0042149100000000, -0.0015253300000000 ] - [ -0.0003728800000000, 0.0005632700000000, 0.0002220000000000 ] - [ 0.0000333100000000, -0.0001989800000000, 0.0007634200000000 ] - [ 0.0001903600000000, 0.0008636400000000, 0.0012269600000000 ] - [ 0.0001191000000000, -0.0002387600000000, 0.0002281800000000 ] - [ 0.0000885200000000, -0.0001893500000000, 0.0001978800000000 ] - [ -0.0382618500000000, 0.0604750300000000, 0.0884644300000000 ] - [ 0.0003187700000000, 0.0001305800000000, -0.0005062500000000 ] - [ -0.0002559600000000, 0.0000752300000000, -0.0000751600000000 ] - [ -0.0001930200000000, 0.0007750800000000, -0.0007206200000000 ] - [ -0.0000029600000000, -0.0004437400000000, -0.0005878900000000 ] - [ -0.0000763400000000, -0.0004833600000000, -0.0005311000000000 ] - [ 0.0009855400000000, -0.0020636600000000, 0.0013904000000000 ] - [ 0.0005516000000000, 0.0003808200000000, 0.0003760500000000 ] - [ -0.0000433400000000, 0.0006556700000000, 0.0002848500000000 ] - [ -0.0000073500000000, 0.0006875500000000, 0.0003321500000000 ] - [ -0.0002255500000000, -0.0006730100000000, -0.0002319300000000 ] - [ 0.0000220300000000, -0.0006396000000000, -0.0002026600000000 ] - [ -0.0025036800000000, -0.0026435100000000, 0.0016505100000000 ] - [ 0.0002133100000000, 0.0000058700000000, -0.0002728800000000 ] - [ -0.0004133400000000, -0.0006495900000000, -0.0000207000000000 ] - [ 0.0000509500000000, -0.0007235100000000, 0.0002324200000000 ] - [ -0.0002228800000000, 0.0003361300000000, 0.0006278100000000 ] - [ -0.0002078800000000, 0.0003650000000000, 0.0006142900000000 ] - [ 0.0009107900000000, 0.0004942000000000, -0.0006378900000000 ] - [ -0.0003217100000000, -0.0000563700000000, -0.0005555600000000 ] - [ 0.0071653200000000, 0.0215065400000000, -0.0172045300000000 ] - [ 0.0001050600000000, 0.0001915100000000, 0.0001153300000000 ] - [ 0.0000375300000000, -0.0002894300000000, -0.0000331600000000 ] - [ 0.0000068500000000, -0.0004285800000000, 0.0000652200000000 ] - [ -0.0001606700000000, -0.0004693400000000, -0.0010066400000000 ] - [ -0.0000546100000000, -0.0006168400000000, -0.0002824700000000 ] - [ 0.0005911900000000, -0.0000037300000000, 0.0000005600000000 ] - [ 0.0005348700000000, 0.0000187400000000, 0.0000291600000000 ] - [ 0.0000781500000000, 0.0002469400000000, -0.0000123000000000 ] - [ 0.0012027900000000, -0.0048046000000000, -0.0001475900000000 ] - [ 0.0001012600000000, -0.0011635700000000, 0.0003628900000000 ] - [ 0.0003056000000000, -0.0042585900000000, 0.0001715600000000 ] - [ 0.0004062600000000, -0.0001115800000000, -0.0002229900000000 ] - [ 0.0002701400000000, -0.0002036400000000, -0.0001903300000000 ] - [ -0.0008766900000000, -0.0003782100000000, 0.0002301200000000 ] - [ 0.0005091900000000, -0.0004029800000000, -0.0002425000000000 ] - [ -0.0000103400000000, 0.0006297800000000, 0.0004980100000000 ] - [ 0.0001803300000000, 0.0006821400000000, 0.0004629300000000 ] - [ -0.0000612000000000, -0.0000747500000000, -0.0009741800000000 ] - [ 0.0002951200000000, -0.0004725500000000, -0.0007569800000000 ] - [ 0.0001683700000000, 0.0016985700000000, -0.0000712800000000 ] - [ 0.0000296100000000, 0.0006892000000000, -0.0000045700000000 ] - [ -0.0003881100000000, -0.0024693700000000, 0.0000508500000000 ] - [ -0.0005409000000000, -0.0002930600000000, -0.0000075400000000 ] - [ -0.0000710000000000, -0.0009444400000000, -0.0000005900000000 ] - [ -0.0002123200000000, -0.0006121000000000, 0.0005782300000000 ] - [ 0.0011293500000000, 0.0008078000000000, -0.0012108100000000 ] - [ -0.0013042500000000, 0.0005795300000000, -0.0010753300000000 ] - [ -0.0004354900000000, 0.0001558400000000, -0.0002884900000000 ] - [ -0.0005559800000000, 0.0001567100000000, -0.0001527000000000 ] - [ -0.0008425400000000, -0.0002212900000000, -0.0003367100000000 ] - [ 0.0018758500000000, -0.0002318500000000, -0.0003106900000000 ] - [ -0.0005799000000000, 0.0002878900000000, -0.0005077400000000 ] - [ -0.0006365300000000, 0.0003021500000000, -0.0004552400000000 ] - [ -0.0008470900000000, 0.0001718400000000, 0.0004490000000000 ] - [ 0.0000502100000000, 0.0003548700000000, -0.0001490800000000 ] - [ 0.0000120300000000, 0.0000705700000000, 0.0002301400000000 ] - [ -0.0000403900000000, 0.0000320900000000, 0.0002858700000000 ] - [ 0.0002056100000000, 0.0000022500000000, -0.0007511400000000 ] - [ 0.0000812200000000, -0.0000309300000000, -0.0006261300000000 ] - [ 0.0005910500000000, -0.0001744000000000, -0.0003289900000000 ] - [ 0.0006176900000000, -0.0001915500000000, -0.0002362800000000 ] - [ 0.0016739800000000, -0.0048106100000000, 0.0031667000000000 ] - [ 0.0004682600000000, -0.0002044000000000, 0.0001091100000000 ]- atom: 73 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0013702300000000, -0.0007162900000000, -0.0022415000000000 ] - [ -0.0012306600000000, -0.0005283000000000, -0.0010808400000000 ] - [ -0.0001036800000000, -0.0024782300000000, 0.0018602300000000 ] - [ 0.0012993200000000, 0.0000997600000000, 0.0004316300000000 ] - [ 0.0027836400000000, -0.0006211400000000, 0.0064450300000000 ] - [ 0.0064216600000000, 0.0041030300000000, 0.0069365100000000 ] - [ -0.0000985800000000, 0.0003963400000000, -0.0023699400000000 ] - [ 0.0001954600000000, 0.0007613200000000, -0.0011053400000000 ] - [ -0.0001205700000000, -0.0004696900000000, -0.0010918900000000 ] - [ -0.0001021700000000, -0.0006149000000000, -0.0013803200000000 ] - [ -0.0001259600000000, 0.0006485100000000, -0.0002775200000000 ] - [ -0.0005820900000000, 0.0011243000000000, -0.0016760200000000 ] - [ -0.0041633100000000, -0.0064069800000000, 0.0091233500000000 ] - [ 0.0015144000000000, -0.0006140600000000, 0.0003904000000000 ] - [ 0.0007344400000000, 0.0005583800000000, -0.0015847500000000 ] - [ -0.0001194500000000, 0.0005811100000000, -0.0013488200000000 ] - [ -0.0011355000000000, -0.0003466300000000, 0.0021734900000000 ] - [ 0.0008706600000000, -0.0009988500000000, 0.0009429600000000 ] - [ 0.0010906000000000, -0.0006063300000000, 0.0006795800000000 ] - [ -0.0008496500000000, -0.0013848200000000, 0.0018337100000000 ] - [ -0.0035614000000000, 0.0105957600000000, -0.0020654400000000 ] - [ 0.0008877100000000, 0.0009796200000000, 0.0009115800000000 ] - [ 0.0012581200000000, -0.0006785200000000, -0.0028367900000000 ] - [ -0.0007191800000000, -0.0009710700000000, -0.0018821300000000 ] - [ -0.0034203000000000, -0.0020399700000000, 0.0053029500000000 ] - [ -0.0002343700000000, 0.0007580100000000, 0.0007414200000000 ] - [ 0.0005396800000000, 0.0003756100000000, -0.0006816800000000 ] - [ -0.0004526100000000, 0.0002262200000000, -0.0007890200000000 ] - [ 0.0043735900000000, -0.0033392600000000, -0.0051417700000000 ] - [ -0.0002185500000000, -0.0004899700000000, 0.0003520900000000 ] - [ 0.0002915500000000, 0.0000350500000000, -0.0009294400000000 ] - [ -0.0002006400000000, 0.0002864800000000, -0.0003747800000000 ] - [ 0.0001943100000000, -0.0002773400000000, -0.0007929300000000 ] - [ -0.0003086300000000, -0.0004778400000000, -0.0002731500000000 ] - [ 0.0008804500000000, 0.0007075000000000, 0.0001610300000000 ] - [ -0.0031723900000000, 0.0017237400000000, -0.0003117200000000 ] - [ -0.0004871100000000, -0.0001492000000000, -0.0006660600000000 ] - [ 0.0003969100000000, -0.0002385200000000, -0.0005446500000000 ] - [ -0.0047767900000000, -0.0029349300000000, -0.0031120300000000 ] - [ 0.0009124300000000, -0.0007511900000000, -0.0001765400000000 ] - [ -0.0019819000000000, 0.0037633300000000, -0.0001396600000000 ] - [ -0.0002915900000000, 0.0005563700000000, 0.0007323100000000 ] - [ -0.0005514400000000, -0.0004283600000000, -0.0010368700000000 ] - [ 0.0002600500000000, 0.0006905800000000, -0.0005442600000000 ] - [ -0.0000772500000000, 0.0003270600000000, 0.0002202400000000 ] - [ -0.0000468800000000, 0.0002898900000000, 0.0001963900000000 ] - [ -0.0004887300000000, 0.0005397600000000, -0.0010324600000000 ] - [ -0.0001836600000000, 0.0005249400000000, -0.0011362800000000 ] - [ 0.0002283900000000, 0.0003150700000000, -0.0017770600000000 ] - [ 0.0002606100000000, 0.0003438400000000, -0.0018080700000000 ] - [ 0.0002045700000000, 0.0010808200000000, -0.0008138200000000 ] - [ -0.0010307900000000, 0.0016128400000000, -0.0009708900000000 ] - [ 0.0001271700000000, 0.0001733100000000, -0.0003466800000000 ] - [ -0.0025446100000000, -0.0049246200000000, -0.0014563600000000 ] - [ 0.0014193200000000, 0.0003210000000000, -0.0014744800000000 ] - [ 0.0011647300000000, 0.0001894500000000, -0.0007445500000000 ] - [ -0.0034115000000000, 0.0011073000000000, 0.0058151500000000 ] - [ -0.0017992100000000, 0.0003609700000000, 0.0033518000000000 ] - [ -0.2762728100000000, 0.0865340900000000, 0.6007557800000000 ] - [ 0.0004062900000000, 0.0000109300000000, -0.0003513200000000 ] - [ 0.0010006900000000, 0.0020131600000000, 0.0013147500000000 ] - [ 0.0007921400000000, 0.0016551100000000, 0.0019798100000000 ] - [ -0.0006745400000000, -0.0008085100000000, 0.0002632600000000 ] - [ -0.0005465300000000, -0.0010317800000000, 0.0000687100000000 ] - [ 0.0004712300000000, 0.0012996700000000, -0.0006774900000000 ] - [ -0.0004235300000000, -0.0005825900000000, -0.0003251300000000 ] - [ -0.0004610000000000, 0.0003684600000000, 0.0007267900000000 ] - [ 0.0000205700000000, -0.0003461000000000, 0.0006273400000000 ] - [ -0.0019848900000000, -0.0027359000000000, -0.0004461800000000 ] - [ 0.0000769200000000, -0.0012292100000000, 0.0001000200000000 ] - [ -0.0005877400000000, 0.0012413700000000, -0.0011220400000000 ] - [ -0.0005046700000000, 0.0012587400000000, -0.0011749900000000 ] - [ 0.3182751400000000, -0.0989071500000000, -0.6915107200000000 ] - [ -0.0011975900000000, 0.0002289300000000, -0.0008639400000000 ] - [ -0.0007808000000000, 0.0001119500000000, 0.0007019000000000 ] - [ 0.0016829400000000, 0.0031254100000000, 0.0022112100000000 ] - [ -0.0002190900000000, -0.0007582800000000, 0.0005884900000000 ] - [ 0.0002330300000000, -0.0006710600000000, 0.0002904600000000 ] - [ 0.0015333700000000, -0.0003298600000000, -0.0029274600000000 ] - [ -0.0004601200000000, -0.0014228300000000, -0.0007474300000000 ] - [ 0.0002251100000000, 0.0004270100000000, 0.0009647400000000 ] - [ -0.0001125200000000, 0.0003779500000000, 0.0010009400000000 ] - [ 0.0007710300000000, -0.0000324000000000, 0.0004531200000000 ] - [ -0.0005227300000000, -0.0000604300000000, 0.0006772400000000 ] - [ 0.0009780100000000, -0.0010702800000000, -0.0041031500000000 ] - [ -0.0008826800000000, 0.0016158500000000, -0.0009219600000000 ] - [ 0.0017386500000000, -0.0009486700000000, 0.0016784600000000 ] - [ -0.0003261400000000, -0.0009932600000000, 0.0002844400000000 ] - [ -0.0002024000000000, 0.0000619900000000, 0.0014104400000000 ] - [ 0.0002019100000000, 0.0000037200000000, 0.0011545700000000 ] - [ -0.0000172000000000, 0.0020482900000000, 0.0006504800000000 ] - [ 0.0005022300000000, 0.0017395300000000, 0.0001427300000000 ] - [ -0.0372558800000000, 0.0161549300000000, 0.0727979600000000 ] - [ -0.0016195600000000, -0.0003789900000000, -0.0002330800000000 ] - [ -0.0002217800000000, -0.0015521600000000, 0.0007515300000000 ] - [ 0.0006223500000000, -0.0017392700000000, 0.0004048700000000 ] - [ 0.0003951800000000, -0.0017318300000000, 0.0037270500000000 ] - [ 0.0000503200000000, -0.0007377500000000, 0.0000028300000000 ] - [ 0.0004847200000000, -0.0008520800000000, 0.0015113100000000 ] - [ 0.0010491800000000, -0.0008294300000000, 0.0015850700000000 ] - [ -0.0005212900000000, 0.0009559100000000, -0.0001227900000000 ] - [ 0.0016064300000000, 0.0009994400000000, 0.0012476600000000 ] - [ -0.0000506700000000, -0.0001100500000000, -0.0001580600000000 ] - [ -0.0002262400000000, -0.0016588100000000, -0.0003463200000000 ] - [ 0.0003402000000000, 0.0002759600000000, 0.0006794400000000 ] - [ 0.0008716900000000, 0.0004830300000000, 0.0004700300000000 ] - [ 0.0026947200000000, -0.0001558200000000, -0.0032021100000000 ] - [ -0.0010873500000000, 0.0007790600000000, -0.0029435700000000 ] - [ -0.0005317900000000, -0.0000355700000000, 0.0010083000000000 ] - [ 0.0008551600000000, 0.0001109800000000, 0.0005946600000000 ] - [ 0.0017375500000000, -0.0026506200000000, 0.0012280000000000 ] - [ 0.0000116500000000, -0.0007172600000000, 0.0000527000000000 ] - [ 0.0008691500000000, 0.0023653100000000, 0.0061868000000000 ] - [ 0.0001236200000000, 0.0004923400000000, 0.0001482400000000 ] - [ -0.0009296900000000, 0.0002712100000000, -0.0030072000000000 ] - [ -0.0011551100000000, -0.0009206800000000, -0.0020424100000000 ] - [ -0.0004038200000000, 0.0021570300000000, 0.0010300300000000 ] - [ -0.0004995400000000, -0.0007455700000000, 0.0003314700000000 ] - [ -0.0024403200000000, 0.0027267800000000, 0.0008539900000000 ] - [ 0.0030619800000000, 0.0012365600000000, -0.0013567300000000 ] - [ -0.0012735700000000, 0.0001735700000000, 0.0017826700000000 ] - [ -0.0005764300000000, 0.0001511200000000, 0.0011883700000000 ] - [ -0.0003287900000000, -0.0022579400000000, -0.0047917300000000 ] - [ 0.0017795000000000, 0.0000354100000000, -0.0032925600000000 ] - [ -0.0005799100000000, -0.0002882700000000, 0.0011495600000000 ] - [ -0.0001902000000000, -0.0004660600000000, 0.0010091200000000 ] - [ 0.0022919200000000, -0.0008252000000000, -0.0001280900000000 ] - [ -0.0022920700000000, -0.0014832700000000, 0.0014343300000000 ] - [ -0.0005481900000000, -0.0001452600000000, 0.0015368200000000 ] - [ -0.0002269200000000, -0.0000741700000000, 0.0017686500000000 ] - [ -0.0006136700000000, -0.0004138700000000, 0.0012040900000000 ] - [ 0.0000592800000000, -0.0002542600000000, 0.0006357300000000 ] - [ 0.0003846200000000, -0.0002709300000000, 0.0012863700000000 ] - [ 0.0000815800000000, -0.0002468900000000, 0.0011277600000000 ] - [ 0.0003114800000000, -0.0030243500000000, -0.0000000600000000 ] - [ 0.0000693600000000, 0.0003336600000000, -0.0005699800000000 ]- atom: 73 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0014396000000000, -0.0009169200000000, 0.0024777600000000 ] - [ 0.0011436300000000, -0.0011034800000000, 0.0013226100000000 ] - [ 0.0006165700000000, 0.0034715300000000, -0.0030639400000000 ] - [ -0.0007395300000000, 0.0010521300000000, -0.0015881800000000 ] - [ -0.0031986000000000, 0.0017188000000000, -0.0055189400000000 ] - [ -0.0068878600000000, -0.0029463200000000, -0.0059641000000000 ] - [ 0.0001757800000000, 0.0012337400000000, 0.0020973200000000 ] - [ -0.0001146500000000, 0.0008718900000000, 0.0008457300000000 ] - [ -0.0003633600000000, -0.0006564400000000, 0.0019706300000000 ] - [ -0.0003802800000000, -0.0005125600000000, 0.0022597800000000 ] - [ -0.0004264800000000, 0.0005052000000000, 0.0014295700000000 ] - [ 0.0000274700000000, 0.0000336600000000, 0.0028201700000000 ] - [ 0.0045896600000000, 0.0052979300000000, -0.0099231500000000 ] - [ -0.0010180600000000, -0.0005128800000000, -0.0012769300000000 ] - [ -0.0002457500000000, 0.0005685800000000, 0.0006819700000000 ] - [ 0.0006003900000000, 0.0005457000000000, 0.0004481900000000 ] - [ 0.0005746200000000, -0.0008049700000000, -0.0009917400000000 ] - [ -0.0014138300000000, -0.0001589800000000, 0.0002297400000000 ] - [ -0.0010046000000000, -0.0010250800000000, -0.0009339200000000 ] - [ 0.0009216100000000, -0.0002531600000000, -0.0020781500000000 ] - [ 0.0034395400000000, -0.0088650300000000, 0.0023224700000000 ] - [ -0.0009574700000000, 0.0006572300000000, -0.0006488100000000 ] - [ -0.0006965200000000, -0.0004766000000000, 0.0016573500000000 ] - [ 0.0012615200000000, -0.0001855400000000, 0.0007117200000000 ] - [ 0.0035297900000000, 0.0034121000000000, -0.0054458000000000 ] - [ -0.0000467200000000, 0.0003115100000000, -0.0004528300000000 ] - [ -0.0002579700000000, 0.0006919700000000, 0.0003924500000000 ] - [ 0.0007287400000000, 0.0008401200000000, 0.0004986200000000 ] - [ -0.0044138300000000, 0.0025789800000000, 0.0050039800000000 ] - [ 0.0001362600000000, -0.0002455700000000, -0.0004390900000000 ] - [ -0.0003701300000000, 0.0006962600000000, 0.0008310000000000 ] - [ 0.0001174500000000, 0.0004467600000000, 0.0002778800000000 ] - [ -0.0004700000000000, -0.0007882300000000, 0.0010683400000000 ] - [ 0.0000279400000000, -0.0005903300000000, 0.0005550500000000 ] - [ -0.0007940700000000, 0.0000269800000000, -0.0000699900000000 ] - [ 0.0031591900000000, -0.0009417100000000, 0.0003233100000000 ] - [ 0.0005628500000000, -0.0005824600000000, 0.0007528700000000 ] - [ -0.0003120100000000, -0.0004939400000000, 0.0006335200000000 ] - [ 0.0050135000000000, 0.0018502000000000, 0.0028134100000000 ] - [ -0.0006256300000000, -0.0003204400000000, -0.0001070700000000 ] - [ 0.0017562600000000, -0.0031976000000000, 0.0017077700000000 ] - [ 0.0000829000000000, -0.0000219400000000, 0.0008461500000000 ] - [ 0.0007561500000000, 0.0009572300000000, -0.0005421900000000 ] - [ -0.0000502100000000, -0.0001515600000000, -0.0010316500000000 ] - [ 0.0000771000000000, -0.0003254800000000, -0.0002187100000000 ] - [ 0.0000463400000000, -0.0002873400000000, -0.0001950300000000 ] - [ 0.0006932800000000, -0.0010690900000000, -0.0005467800000000 ] - [ 0.0003895900000000, -0.0010527900000000, -0.0004444800000000 ] - [ -0.0012285000000000, -0.0002058900000000, 0.0009500100000000 ] - [ -0.0012622900000000, -0.0002346600000000, 0.0009840600000000 ] - [ 0.0002088600000000, -0.0014749800000000, 0.0000800800000000 ] - [ 0.0014333800000000, -0.0019976600000000, 0.0002345800000000 ] - [ 0.0002840600000000, 0.0002263000000000, -0.0003828600000000 ] - [ 0.0029386100000000, 0.0052881200000000, 0.0007192800000000 ] - [ -0.0004050700000000, -0.0004252100000000, 0.0022730100000000 ] - [ -0.0001526800000000, -0.0002947800000000, 0.0015493800000000 ] - [ 0.0023950200000000, -0.0012037300000000, -0.0065959200000000 ] - [ 0.0007812600000000, -0.0004665700000000, -0.0041175400000000 ] - [ 0.2567304300000000, -0.0787894800000000, -0.5575891100000000 ] - [ 0.0006024700000000, 0.0000948300000000, 0.0011492000000000 ] - [ -0.0010012500000000, -0.0020134700000000, -0.0013308800000000 ] - [ -0.0007854800000000, -0.0016396200000000, -0.0019601200000000 ] - [ 0.0002590400000000, 0.0004041300000000, 0.0004659100000000 ] - [ 0.0001308700000000, 0.0006230000000000, 0.0006577800000000 ] - [ -0.0004636000000000, -0.0013072000000000, 0.0006569100000000 ] - [ 0.0004169200000000, 0.0005752400000000, 0.0003209500000000 ] - [ 0.0000376500000000, 0.0000490200000000, -0.0000005300000000 ] - [ -0.0004320800000000, 0.0007444400000000, 0.0001038100000000 ] - [ 0.0017683400000000, 0.0021880900000000, 0.0020195200000000 ] - [ -0.0002823800000000, 0.0006818700000000, 0.0014745600000000 ] - [ 0.0005830200000000, -0.0012318200000000, 0.0011133600000000 ] - [ 0.0005007600000000, -0.0012495700000000, 0.0011664500000000 ] - [ -0.2972234000000000, 0.0906940500000000, 0.6476193400000000 ] - [ 0.0013147800000000, -0.0000969900000000, 0.0000120200000000 ] - [ -0.0000023400000000, -0.0000556000000000, -0.0004783600000000 ] - [ -0.0024528200000000, -0.0030502200000000, -0.0019805900000000 ] - [ 0.0001955900000000, -0.0003741700000000, -0.0013472100000000 ] - [ -0.0002522400000000, -0.0004628000000000, -0.0010507700000000 ] - [ -0.0003823800000000, 0.0007080600000000, 0.0033883900000000 ] - [ 0.0015983200000000, 0.0017593800000000, 0.0012239700000000 ] - [ -0.0002023300000000, 0.0007051500000000, -0.0001944000000000 ] - [ 0.0001324500000000, 0.0007555700000000, -0.0002312000000000 ] - [ -0.0008670600000000, -0.0010665900000000, -0.0005414100000000 ] - [ 0.0004151300000000, -0.0010369900000000, -0.0007627600000000 ] - [ -0.0009745300000000, 0.0022213000000000, 0.0032951100000000 ] - [ 0.0008481200000000, -0.0004624100000000, 0.0001523400000000 ] - [ -0.0016245600000000, -0.0003841900000000, -0.0011610800000000 ] - [ 0.0004199100000000, -0.0003362600000000, 0.0002184500000000 ] - [ -0.0002868300000000, 0.0009740600000000, -0.0001239500000000 ] - [ -0.0006877900000000, 0.0010315400000000, 0.0001304800000000 ] - [ -0.0000802000000000, -0.0007133400000000, -0.0011479100000000 ] - [ -0.0005939800000000, -0.0004017300000000, -0.0006418500000000 ] - [ 0.0354585100000000, -0.0161245600000000, -0.0714532300000000 ] - [ 0.0004802500000000, 0.0000193400000000, 0.0004012600000000 ] - [ 0.0003210400000000, 0.0004395400000000, -0.0006554400000000 ] - [ -0.0005152200000000, 0.0006259900000000, -0.0003122000000000 ] - [ -0.0004884900000000, 0.0003963100000000, -0.0041956200000000 ] - [ -0.0001468800000000, -0.0005884500000000, -0.0005053300000000 ] - [ 0.0006599700000000, 0.0004936400000000, -0.0010162400000000 ] - [ 0.0000989300000000, 0.0004706000000000, -0.0010892600000000 ] - [ 0.0004137700000000, 0.0001516000000000, 0.0000312100000000 ] - [ -0.0016984600000000, 0.0000957300000000, -0.0013348200000000 ] - [ 0.0000725400000000, -0.0010154900000000, 0.0009207800000000 ] - [ 0.0002545500000000, 0.0005315100000000, 0.0011151300000000 ] - [ 0.0004398800000000, -0.0003312300000000, -0.0008929100000000 ] - [ -0.0000860600000000, -0.0005331200000000, -0.0006844400000000 ] - [ -0.0028178800000000, 0.0000199400000000, 0.0040279500000000 ] - [ 0.0009514800000000, -0.0008988600000000, 0.0037506000000000 ] - [ 0.0006253400000000, 0.0013577500000000, -0.0004983800000000 ] - [ -0.0007523800000000, 0.0012103300000000, -0.0000867500000000 ] - [ -0.0012346500000000, 0.0015921900000000, -0.0024913200000000 ] - [ 0.0004744100000000, -0.0003216800000000, -0.0013287700000000 ] - [ -0.0007525000000000, -0.0012461300000000, -0.0060726600000000 ] - [ -0.0000190100000000, 0.0006109700000000, -0.0000553000000000 ] - [ -0.0002127000000000, -0.0006152700000000, 0.0025199600000000 ] - [ 0.0000070400000000, 0.0005608000000000, 0.0015440600000000 ] - [ -0.0000908600000000, -0.0031669200000000, 0.0002487100000000 ] - [ 0.0000070100000000, -0.0002956500000000, 0.0009438300000000 ] - [ 0.0029269600000000, -0.0016777300000000, -0.0021268600000000 ] - [ -0.0025483300000000, -0.0001864400000000, 0.0000803000000000 ] - [ 0.0001442500000000, 0.0001838700000000, -0.0016014600000000 ] - [ -0.0005478700000000, 0.0002061900000000, -0.0010105500000000 ] - [ 0.0014468700000000, 0.0025973900000000, 0.0045936300000000 ] - [ -0.0006327800000000, 0.0003160800000000, 0.0030861300000000 ] - [ -0.0005648700000000, 0.0006376400000000, -0.0016226400000000 ] - [ -0.0009515100000000, 0.0008141800000000, -0.0014841400000000 ] - [ -0.0030473100000000, 0.0007639700000000, 0.0003388500000000 ] - [ 0.0014911500000000, 0.0014125300000000, -0.0012037500000000 ] - [ 0.0004141200000000, 0.0002705900000000, -0.0006773800000000 ] - [ 0.0000932100000000, 0.0002004100000000, -0.0009038500000000 ] - [ 0.0007392900000000, 0.0002830200000000, -0.0020428200000000 ] - [ 0.0000716600000000, 0.0001251700000000, -0.0014802800000000 ] - [ 0.0007362700000000, -0.0000886200000000, -0.0014408900000000 ] - [ 0.0010396900000000, -0.0001107800000000, -0.0012902700000000 ] - [ 0.0004766000000000, 0.0030610400000000, -0.0002135800000000 ] - [ 0.0007108100000000, -0.0002776500000000, 0.0003503800000000 ]- atom: 75 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0013327500000000, 0.0009651400000000, -0.0001413900000000 ] - [ -0.0067124900000000, -0.0010508100000000, 0.0024735200000000 ] - [ -0.0014561700000000, 0.0006929600000000, 0.0000599900000000 ] - [ 0.0046024400000000, 0.0023303000000000, -0.0010881000000000 ] - [ 0.0000964000000000, 0.0008790200000000, 0.0014189300000000 ] - [ -0.0006007000000000, 0.0006556800000000, -0.0004191600000000 ] - [ 0.0005572400000000, 0.0008952500000000, -0.0001273300000000 ] - [ -0.0003848700000000, 0.0008958700000000, -0.0004755600000000 ] - [ 0.0034903600000000, -0.0010951300000000, -0.0019647000000000 ] - [ -0.0018790700000000, -0.0006570400000000, -0.0000127800000000 ] - [ 0.0015703700000000, -0.0031321500000000, 0.0040830000000000 ] - [ -0.0013714500000000, 0.0008050300000000, 0.0009764100000000 ] - [ -0.0000328800000000, -0.0006050700000000, -0.0004481500000000 ] - [ 0.0005654900000000, -0.0009438200000000, -0.0009233200000000 ] - [ 0.0004817000000000, 0.0000467600000000, -0.0007381000000000 ] - [ -0.0000904400000000, 0.0007738600000000, 0.0000643000000000 ] - [ -0.0001855800000000, -0.0006387700000000, 0.0006531800000000 ] - [ -0.0003579300000000, -0.0005752000000000, 0.0002030100000000 ] - [ 0.0004283000000000, -0.0018762800000000, 0.0005875100000000 ] - [ -0.0004803900000000, -0.0007344700000000, -0.0007677200000000 ] - [ -0.0000807900000000, 0.0008104700000000, 0.0000686000000000 ] - [ -0.0000229800000000, 0.0009597200000000, -0.0002093100000000 ] - [ 0.0003447100000000, -0.0003581600000000, -0.0015174700000000 ] - [ 0.0001528400000000, -0.0007173300000000, -0.0001862400000000 ] - [ -0.0003814000000000, 0.0010822400000000, 0.0005144000000000 ] - [ -0.0021866500000000, -0.0009143400000000, -0.0020254800000000 ] - [ 0.0047442700000000, 0.0023869600000000, -0.0001045500000000 ] - [ -0.0006114700000000, 0.0005495000000000, -0.0000297000000000 ] - [ -0.0000659600000000, -0.0003497800000000, -0.0001840900000000 ] - [ 0.0000270900000000, -0.0003965600000000, -0.0001556300000000 ] - [ -0.0007813400000000, -0.0001463200000000, -0.0000276100000000 ] - [ 0.0024457500000000, -0.0006624400000000, -0.0000812500000000 ] - [ 0.0001271700000000, -0.0006347900000000, -0.0000983800000000 ] - [ -0.0003313200000000, -0.0004879800000000, 0.0002018400000000 ] - [ 0.0029398600000000, 0.0002062900000000, -0.0015144000000000 ] - [ -0.0005988200000000, 0.0003095900000000, 0.0000497200000000 ] - [ 0.0001786100000000, -0.0003413200000000, 0.0001687900000000 ] - [ -0.0001687800000000, -0.0004599100000000, -0.0002819500000000 ] - [ 0.0001728600000000, -0.0005208700000000, -0.0001399500000000 ] - [ 0.0000665400000000, -0.0005598300000000, -0.0003843100000000 ] - [ 0.0000218800000000, 0.0000154200000000, 0.0009151200000000 ] - [ -0.0002654800000000, 0.0006965700000000, 0.0006394300000000 ] - [ 0.0000740600000000, 0.0002007700000000, -0.0008142600000000 ] - [ 0.0000154800000000, 0.0001195600000000, -0.0008095100000000 ] - [ -0.0005974400000000, 0.0024737600000000, 0.0000595400000000 ] - [ 0.0001786800000000, -0.0006093400000000, -0.0001194000000000 ] - [ -0.0000785000000000, -0.0007443300000000, -0.0006634500000000 ] - [ 0.0005706700000000, -0.0008098200000000, -0.0005767600000000 ] - [ -0.0008683800000000, 0.0003537200000000, -0.0002010800000000 ] - [ -0.0006049700000000, 0.0000424700000000, -0.0000107300000000 ] - [ 0.0003022400000000, -0.0003765000000000, -0.0003455800000000 ] - [ 0.0000299100000000, 0.0001334700000000, -0.0004120800000000 ] - [ 0.1690500600000000, 0.2151722200000000, 0.0834108300000000 ] - [ -0.0004631400000000, -0.0021276800000000, -0.0015587000000000 ] - [ 0.0027472400000000, 0.0008518000000000, -0.0038169200000000 ] - [ -0.0000583600000000, -0.0007660100000000, 0.0025163400000000 ] - [ -0.0006542500000000, -0.0000358300000000, -0.0003064300000000 ] - [ -0.0001459400000000, -0.0001521500000000, -0.0009693400000000 ] - [ 0.0004132300000000, 0.0000759400000000, 0.0007321200000000 ] - [ 0.0013806300000000, -0.0003229900000000, -0.0007967800000000 ] - [ 0.0000924200000000, 0.0002308800000000, 0.0001980600000000 ] - [ -0.0000868300000000, -0.0001491800000000, -0.0001953700000000 ] - [ -0.0003002900000000, -0.0003113600000000, 0.0003644700000000 ] - [ -0.0001665400000000, -0.0001534500000000, 0.0003602000000000 ] - [ -0.0000311500000000, -0.0001598400000000, -0.0000007300000000 ] - [ -0.0000221300000000, 0.0000083300000000, 0.0000022600000000 ] - [ -0.0001730300000000, 0.0003100300000000, 0.0002470800000000 ] - [ 0.0008343700000000, -0.0017498600000000, 0.0016056000000000 ] - [ 0.0007466600000000, 0.0008401400000000, 0.0009821900000000 ] - [ -0.0006740800000000, -0.0014270100000000, 0.0004431300000000 ] - [ -0.0006639000000000, 0.0002931600000000, -0.0009077800000000 ] - [ 0.0001032000000000, -0.0001638600000000, 0.0000813300000000 ] - [ 0.0004285100000000, -0.0000717000000000, -0.0007083300000000 ] - [ -0.0003280500000000, -0.0001376000000000, 0.0016186500000000 ] - [ -0.1793476300000000, -0.2542459100000000, -0.0992301500000000 ] - [ 0.0010197800000000, 0.0010153000000000, 0.0006335900000000 ] - [ 0.0011365800000000, -0.0018336100000000, 0.0017573300000000 ] - [ -0.0003525600000000, -0.0004197100000000, -0.0012597200000000 ] - [ 0.0005356500000000, 0.0001103700000000, 0.0000691400000000 ] - [ 0.0006453700000000, 0.0002286400000000, 0.0005836900000000 ] - [ -0.0001484300000000, 0.0008610000000000, -0.0001837000000000 ] - [ 0.0005965000000000, -0.0009671000000000, 0.0004156400000000 ] - [ -0.0001412900000000, -0.0005394600000000, -0.0001136800000000 ] - [ 0.0000642000000000, -0.0005713800000000, 0.0002180600000000 ] - [ 0.0002527800000000, 0.0005990700000000, -0.0003755700000000 ] - [ -0.0002794900000000, 0.0005897500000000, -0.0003521400000000 ] - [ 0.0000232500000000, -0.0006205000000000, 0.0002817200000000 ] - [ 0.0001464100000000, -0.0006157100000000, 0.0004069200000000 ] - [ -0.0000304500000000, 0.0013092900000000, 0.0004879200000000 ] - [ -0.0001180700000000, 0.0007284200000000, 0.0003639400000000 ] - [ 0.0012344100000000, 0.0002465900000000, -0.0027442700000000 ] - [ 0.0014415000000000, 0.0005114300000000, 0.0011921100000000 ] - [ -0.0003335200000000, -0.0002201100000000, -0.0001408100000000 ] - [ -0.0013950200000000, 0.0000560000000000, 0.0013632400000000 ] - [ 0.0001390200000000, -0.0006863800000000, 0.0003545000000000 ] - [ -0.0000056800000000, -0.0004674500000000, -0.0000475400000000 ] - [ -0.0002808000000000, -0.0005381900000000, -0.0002213100000000 ] - [ 0.0001627400000000, -0.0008607200000000, -0.0000457800000000 ] - [ -0.0010416900000000, -0.0029078100000000, 0.0016770800000000 ] - [ 0.0013807900000000, 0.0000092300000000, -0.0001664200000000 ] - [ -0.0020269900000000, 0.0025948300000000, -0.0009513000000000 ] - [ 0.0005124500000000, 0.0006097300000000, -0.0000815500000000 ] - [ -0.0002116100000000, -0.0005389300000000, 0.0002882300000000 ] - [ 0.0001704000000000, -0.0004898800000000, 0.0005671500000000 ] - [ 0.0003393100000000, 0.0000960600000000, 0.0001655800000000 ] - [ 0.0004808200000000, -0.0001080300000000, -0.0002355000000000 ] - [ -0.0000428000000000, -0.0000780100000000, 0.0003844700000000 ] - [ -0.0001897200000000, 0.0000564400000000, 0.0008915000000000 ] - [ -0.0018205900000000, -0.0000346800000000, -0.0005969600000000 ] - [ 0.0010864700000000, 0.0014132900000000, 0.0001257600000000 ] - [ 0.0001051300000000, -0.0004290300000000, -0.0007952900000000 ] - [ 0.0005820900000000, -0.0006764500000000, -0.0003076400000000 ] - [ 0.0025764000000000, 0.0013360900000000, -0.0003969000000000 ] - [ -0.0061036300000000, 0.0417522300000000, 0.0168491800000000 ] - [ -0.0004515400000000, -0.0001046400000000, -0.0005979600000000 ] - [ -0.0006646000000000, 0.0001373000000000, 0.0000053600000000 ] - [ -0.0002156500000000, -0.0005078700000000, 0.0007044100000000 ] - [ -0.0002411600000000, -0.0004031400000000, 0.0008405600000000 ] - [ 0.0005408900000000, -0.0002459800000000, -0.0029084600000000 ] - [ 0.0020366000000000, 0.0010898100000000, 0.0003221700000000 ] - [ 0.0008579400000000, 0.0010432000000000, 0.0038461000000000 ] - [ 0.0009501400000000, -0.0002415300000000, -0.0022850500000000 ] - [ 0.0002276100000000, 0.0001660900000000, -0.0002559700000000 ] - [ 0.0007389600000000, 0.0003387500000000, 0.0005171400000000 ] - [ -0.0004128800000000, -0.0005065000000000, 0.0007893000000000 ] - [ -0.0003599200000000, 0.0002744500000000, -0.0003596900000000 ] - [ -0.0004695100000000, 0.0000292700000000, -0.0000770700000000 ] - [ -0.0002571000000000, -0.0001753900000000, 0.0004723100000000 ] - [ -0.0012642200000000, 0.0013349000000000, -0.0001026100000000 ] - [ 0.0004524800000000, 0.0001386000000000, 0.0002807100000000 ] - [ -0.0013738300000000, -0.0005093900000000, 0.0018807300000000 ] - [ 0.0009675400000000, 0.0003746000000000, -0.0021195600000000 ] - [ 0.0004682300000000, -0.0002253900000000, -0.0002257200000000 ] - [ 0.0010004400000000, -0.0000669800000000, -0.0001620500000000 ] - [ 0.0005945600000000, -0.0000825700000000, -0.0001617900000000 ] - [ -0.0002371400000000, 0.0029316700000000, 0.0003268900000000 ]- atom: 75 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0016749600000000, -0.0024184500000000, 0.0003714400000000 ] - [ 0.0066336800000000, -0.0006195700000000, -0.0022392100000000 ] - [ 0.0020160600000000, 0.0004641500000000, -0.0012286400000000 ] - [ -0.0040637800000000, -0.0012005500000000, -0.0000420300000000 ] - [ -0.0005856500000000, 0.0002512100000000, -0.0005346300000000 ] - [ 0.0001200000000000, 0.0004756900000000, 0.0013137600000000 ] - [ -0.0004807100000000, 0.0007414500000000, -0.0001288800000000 ] - [ 0.0004668300000000, 0.0007394000000000, 0.0002224000000000 ] - [ -0.0039846100000000, -0.0000469000000000, 0.0028508100000000 ] - [ 0.0014000400000000, -0.0004740100000000, 0.0009060700000000 ] - [ -0.0021405200000000, 0.0043182400000000, -0.0029415600000000 ] - [ 0.0008293900000000, 0.0003488800000000, 0.0001849800000000 ] - [ 0.0005196500000000, -0.0005266300000000, -0.0004425400000000 ] - [ -0.0000824100000000, -0.0001855300000000, 0.0000362200000000 ] - [ 0.0000018600000000, 0.0010850700000000, -0.0001517400000000 ] - [ 0.0005772100000000, 0.0003636900000000, -0.0009566000000000 ] - [ -0.0003676700000000, -0.0005177800000000, 0.0005121300000000 ] - [ -0.0001927400000000, -0.0005818700000000, 0.0009637800000000 ] - [ -0.0003537300000000, 0.0002434900000000, -0.0008473700000000 ] - [ 0.0005634100000000, -0.0008982100000000, 0.0005134800000000 ] - [ 0.0000017400000000, 0.0008250200000000, 0.0001879400000000 ] - [ -0.0000572300000000, 0.0006750100000000, 0.0004694800000000 ] - [ 0.0002048400000000, -0.0007992400000000, 0.0003597100000000 ] - [ 0.0003992600000000, -0.0004416200000000, -0.0009794800000000 ] - [ 0.0001047700000000, -0.0000164000000000, -0.0002338500000000 ] - [ 0.0019234300000000, 0.0020012900000000, 0.0023352700000000 ] - [ -0.0045820500000000, -0.0015602000000000, -0.0001962900000000 ] - [ 0.0008908600000000, 0.0005221200000000, -0.0002583700000000 ] - [ -0.0000132100000000, -0.0003845500000000, 0.0000922400000000 ] - [ -0.0001073000000000, -0.0003374500000000, 0.0000643700000000 ] - [ 0.0007037000000000, 0.0008831000000000, -0.0000656800000000 ] - [ -0.0024680300000000, 0.0013056300000000, -0.0000256000000000 ] - [ -0.0004064400000000, -0.0004347800000000, 0.0003853100000000 ] - [ 0.0000526700000000, -0.0005811300000000, 0.0000842900000000 ] - [ -0.0028858600000000, 0.0005330500000000, 0.0016173800000000 ] - [ 0.0006831100000000, 0.0004245900000000, 0.0000437800000000 ] - [ -0.0000980700000000, -0.0003934100000000, -0.0000728500000000 ] - [ 0.0002488200000000, -0.0002745800000000, 0.0003771600000000 ] - [ 0.0001053300000000, -0.0005485500000000, -0.0001451500000000 ] - [ 0.0002129600000000, -0.0005095900000000, 0.0001008000000000 ] - [ -0.0002314400000000, 0.0005210100000000, 0.0006614000000000 ] - [ 0.0000589900000000, -0.0001659600000000, 0.0009394500000000 ] - [ 0.0001339300000000, 0.0003341100000000, -0.0007630200000000 ] - [ 0.0001930800000000, 0.0004157400000000, -0.0007680600000000 ] - [ 0.0006035400000000, -0.0024982400000000, -0.0000605400000000 ] - [ -0.0001826500000000, 0.0006208200000000, 0.0001198300000000 ] - [ 0.0002943100000000, 0.0002006600000000, -0.0009080800000000 ] - [ -0.0003727800000000, 0.0002893200000000, -0.0010085400000000 ] - [ -0.0001374500000000, -0.0002476700000000, -0.0006174000000000 ] - [ -0.0004022300000000, 0.0000643900000000, -0.0008041400000000 ] - [ 0.0001099200000000, -0.0000241100000000, -0.0003847500000000 ] - [ 0.0003830400000000, -0.0005352600000000, -0.0003183900000000 ] - [ -0.1692984800000000, -0.2089588800000000, -0.0819123900000000 ] - [ 0.0008816400000000, 0.0025489800000000, 0.0008396400000000 ] - [ -0.0017433800000000, -0.0009611500000000, 0.0046411500000000 ] - [ 0.0010641600000000, 0.0006550700000000, -0.0016929000000000 ] - [ -0.0003513700000000, -0.0000714800000000, -0.0005099100000000 ] - [ -0.0008623400000000, 0.0000454200000000, 0.0001559700000000 ] - [ 0.0005943500000000, 0.0000307800000000, 0.0000799500000000 ] - [ -0.0003823600000000, 0.0004332000000000, 0.0016235500000000 ] - [ -0.0000932900000000, -0.0002322800000000, -0.0001992900000000 ] - [ 0.0000879700000000, 0.0001528200000000, 0.0001984400000000 ] - [ -0.0001105100000000, -0.0000862200000000, 0.0003668700000000 ] - [ -0.0002457700000000, -0.0002459900000000, 0.0003704400000000 ] - [ 0.0000316200000000, 0.0001618200000000, 0.0000008200000000 ] - [ 0.0000213900000000, -0.0000111900000000, -0.0000032300000000 ] - [ -0.0002397500000000, 0.0000898400000000, 0.0004842300000000 ] - [ -0.0012525000000000, 0.0021596200000000, -0.0008821200000000 ] - [ -0.0009581800000000, -0.0013681700000000, 0.0006077000000000 ] - [ 0.0004530200000000, 0.0008725400000000, 0.0011251800000000 ] - [ 0.0006680600000000, -0.0002942600000000, 0.0009105500000000 ] - [ -0.0001061400000000, 0.0001663500000000, -0.0000842600000000 ] - [ -0.0002974000000000, 0.0001983900000000, -0.0001451800000000 ] - [ 0.0004673400000000, 0.0002612400000000, -0.0024933400000000 ] - [ 0.1800346900000000, 0.2484010000000000, 0.0971063300000000 ] - [ -0.0018150700000000, -0.0009707100000000, -0.0004208700000000 ] - [ -0.0011669100000000, 0.0007132400000000, -0.0025462400000000 ] - [ 0.0003304200000000, -0.0007165700000000, 0.0005057100000000 ] - [ 0.0006084500000000, 0.0002418900000000, 0.0004166600000000 ] - [ 0.0004980300000000, 0.0001224200000000, -0.0001018300000000 ] - [ 0.0001700800000000, 0.0002663300000000, 0.0009522900000000 ] - [ -0.0005795700000000, 0.0021147200000000, 0.0003492900000000 ] - [ 0.0000351600000000, -0.0005674300000000, 0.0000214400000000 ] - [ -0.0001698600000000, -0.0005349800000000, -0.0003119200000000 ] - [ -0.0002763800000000, 0.0005315800000000, -0.0003899400000000 ] - [ 0.0002621500000000, 0.0005445400000000, -0.0004154500000000 ] - [ 0.0000742600000000, -0.0007037900000000, 0.0002214400000000 ] - [ -0.0000481300000000, -0.0007072000000000, 0.0000957200000000 ] - [ -0.0004645500000000, -0.0002603000000000, 0.0007865700000000 ] - [ -0.0003694300000000, 0.0003045200000000, 0.0009174600000000 ] - [ -0.0013426300000000, 0.0010670400000000, 0.0022491200000000 ] - [ -0.0015233000000000, 0.0008154100000000, -0.0016776600000000 ] - [ -0.0007930400000000, -0.0001366200000000, 0.0003127900000000 ] - [ 0.0002773200000000, -0.0004148900000000, -0.0012040000000000 ] - [ -0.0000340800000000, -0.0004195500000000, -0.0002641800000000 ] - [ 0.0001106600000000, -0.0006387000000000, 0.0001382700000000 ] - [ 0.0001833700000000, -0.0007852300000000, -0.0002825200000000 ] - [ -0.0002629200000000, -0.0004603600000000, -0.0004600700000000 ] - [ 0.0022009800000000, 0.0025639000000000, -0.0012003400000000 ] - [ -0.0002445900000000, -0.0003660600000000, 0.0006587700000000 ] - [ 0.0019249800000000, -0.0014910300000000, 0.0008641900000000 ] - [ -0.0006209700000000, 0.0004953600000000, -0.0000097200000000 ] - [ 0.0002351900000000, -0.0005910800000000, 0.0004777700000000 ] - [ -0.0001507500000000, -0.0006440900000000, 0.0001974400000000 ] - [ 0.0004435700000000, -0.0001507400000000, -0.0003859600000000 ] - [ 0.0003011400000000, 0.0000549300000000, 0.0000170700000000 ] - [ -0.0000914700000000, -0.0000476000000000, 0.0004727700000000 ] - [ 0.0000568000000000, -0.0001827500000000, -0.0000380400000000 ] - [ 0.0019255700000000, 0.0013739900000000, 0.0011043800000000 ] - [ -0.0009978000000000, -0.0001048200000000, 0.0003836400000000 ] - [ 0.0003870000000000, -0.0006154300000000, -0.0004804800000000 ] - [ -0.0000914000000000, -0.0003654000000000, -0.0009722600000000 ] - [ -0.0024928300000000, -0.0002371600000000, 0.0004954100000000 ] - [ 0.0057914300000000, -0.0403750600000000, -0.0166330000000000 ] - [ -0.0006927300000000, -0.0002472800000000, 0.0001167100000000 ] - [ -0.0004808100000000, -0.0004887600000000, -0.0004929100000000 ] - [ -0.0002766300000000, -0.0005352000000000, 0.0005720100000000 ] - [ -0.0002508800000000, -0.0006411100000000, 0.0004340200000000 ] - [ -0.0000586100000000, 0.0012847100000000, 0.0016563600000000 ] - [ -0.0015472800000000, -0.0000251000000000, -0.0015968300000000 ] - [ -0.0019833400000000, -0.0006975200000000, -0.0036863700000000 ] - [ -0.0020548700000000, 0.0005936700000000, 0.0024415900000000 ] - [ 0.0008987900000000, 0.0001915500000000, 0.0000875400000000 ] - [ 0.0003828600000000, 0.0000177400000000, -0.0006896300000000 ] - [ -0.0007308600000000, 0.0008596700000000, -0.0012761100000000 ] - [ -0.0007840700000000, 0.0000742200000000, -0.0001219600000000 ] - [ -0.0003136700000000, -0.0000823900000000, 0.0002957800000000 ] - [ -0.0005266600000000, 0.0001229700000000, -0.0002565200000000 ] - [ 0.0011293900000000, -0.0012168900000000, 0.0009622700000000 ] - [ -0.0005879100000000, -0.0000134300000000, 0.0005762300000000 ] - [ 0.0015098700000000, 0.0003846300000000, -0.0027429300000000 ] - [ -0.0008321900000000, -0.0004973800000000, 0.0012518700000000 ] - [ 0.0006546600000000, -0.0001321900000000, 0.0000582800000000 ] - [ 0.0001236400000000, -0.0002903700000000, -0.0000099800000000 ] - [ 0.0001869300000000, 0.0001363500000000, -0.0000550900000000 ] - [ 0.0010258400000000, -0.0028926000000000, -0.0005463000000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023953000000000, 0.0046130500000000, 0.0001256400000000 ] - [ -0.0057802000000000, 0.0029488300000000, 0.0043708000000000 ] - [ -0.0002689400000000, 0.0008057100000000, -0.0006225100000000 ] - [ 0.0017987300000000, 0.0066877400000000, 0.0027616900000000 ] - [ 0.0000399900000000, 0.0010268600000000, 0.0006110900000000 ] - [ -0.0006878800000000, 0.0009380500000000, -0.0002295600000000 ] - [ 0.0000383600000000, 0.0002045500000000, -0.0001277100000000 ] - [ -0.0000911200000000, 0.0006610100000000, -0.0000472400000000 ] - [ 0.0004094700000000, 0.0030576800000000, -0.0035191200000000 ] - [ -0.0006189200000000, 0.0000233000000000, 0.0007703000000000 ] - [ 0.0015331500000000, -0.0081438900000000, 0.0055868700000000 ] - [ -0.0007432900000000, 0.0002756000000000, 0.0009381200000000 ] - [ 0.0001211400000000, -0.0006863900000000, -0.0006101300000000 ] - [ 0.0004444400000000, -0.0014378600000000, -0.0004883300000000 ] - [ -0.0004179000000000, -0.0005878000000000, -0.0006565800000000 ] - [ 0.0007386400000000, -0.0006649800000000, -0.0001128500000000 ] - [ -0.0002738500000000, -0.0007350100000000, 0.0005761800000000 ] - [ -0.0003074700000000, -0.0006813900000000, 0.0004008900000000 ] - [ -0.0004909800000000, -0.0018207600000000, 0.0001624100000000 ] - [ 0.0004241700000000, -0.0015534400000000, -0.0004541000000000 ] - [ -0.0000984500000000, 0.0007696300000000, -0.0002354700000000 ] - [ -0.0000032900000000, 0.0011945500000000, -0.0000311100000000 ] - [ 0.0001609800000000, -0.0001013100000000, -0.0005268900000000 ] - [ 0.0004323600000000, -0.0000042900000000, -0.0002667400000000 ] - [ -0.0000998000000000, 0.0007152200000000, 0.0000149100000000 ] - [ -0.0036199500000000, -0.0026374000000000, -0.0042705400000000 ] - [ 0.0025784200000000, 0.0054389200000000, -0.0001059700000000 ] - [ 0.0003648200000000, 0.0004266200000000, 0.0000898200000000 ] - [ -0.0001341800000000, -0.0003353500000000, -0.0002130500000000 ] - [ 0.0000808700000000, -0.0004215200000000, -0.0002272200000000 ] - [ -0.0005211300000000, 0.0001455100000000, 0.0000750700000000 ] - [ 0.0012108600000000, -0.0001598400000000, -0.0000756400000000 ] - [ -0.0002983100000000, -0.0006000900000000, -0.0002851900000000 ] - [ -0.0000311400000000, -0.0005921000000000, -0.0000027000000000 ] - [ 0.0038037600000000, -0.0010241400000000, -0.0029370500000000 ] - [ -0.0003738900000000, 0.0003726500000000, -0.0002196900000000 ] - [ 0.0002399600000000, -0.0004055100000000, -0.0003261000000000 ] - [ -0.0001047500000000, -0.0004255700000000, -0.0001479100000000 ] - [ 0.0002056000000000, -0.0004971300000000, -0.0002638400000000 ] - [ 0.0000456400000000, -0.0005790200000000, -0.0003571400000000 ] - [ -0.0007834400000000, 0.0013927500000000, 0.0005159700000000 ] - [ -0.0002439300000000, 0.0005684700000000, 0.0006659000000000 ] - [ -0.0000519600000000, -0.0000264100000000, -0.0008835900000000 ] - [ 0.0000174100000000, 0.0001332300000000, -0.0008395800000000 ] - [ -0.0000047500000000, 0.0001476300000000, -0.0000637500000000 ] - [ -0.0000657000000000, -0.0006673700000000, -0.0001666200000000 ] - [ 0.0009126700000000, -0.0023749600000000, 0.0004322500000000 ] - [ 0.0019052100000000, -0.0030902000000000, 0.0008164900000000 ] - [ 0.0011674800000000, 0.0016678000000000, -0.0035648800000000 ] - [ -0.0006409100000000, -0.0000018000000000, -0.0000547600000000 ] - [ 0.0000924000000000, -0.0000195800000000, -0.0004243400000000 ] - [ 0.0000331200000000, 0.0001620800000000, -0.0004515400000000 ] - [ 0.2198524000000000, 0.4743163200000000, 0.1643205300000000 ] - [ 0.0001483200000000, -0.0002868500000000, -0.0005172800000000 ] - [ 0.0014630800000000, 0.0002616800000000, -0.0009610200000000 ] - [ 0.0003751700000000, 0.0002945200000000, -0.0009136700000000 ] - [ -0.0004292300000000, -0.0000770500000000, -0.0006967400000000 ] - [ -0.0001170700000000, -0.0001578200000000, -0.0010446100000000 ] - [ 0.0005945600000000, 0.0000198400000000, 0.0003330400000000 ] - [ 0.0016942900000000, -0.0004720300000000, -0.0009577400000000 ] - [ -0.0000288800000000, -0.0000435500000000, -0.0000526100000000 ] - [ 0.0001444300000000, 0.0004494600000000, 0.0003147000000000 ] - [ -0.0003059300000000, -0.0004707000000000, 0.0003203300000000 ] - [ -0.0003053500000000, -0.0003740300000000, 0.0003257200000000 ] - [ 0.0000331800000000, 0.0000014000000000, 0.0000389000000000 ] - [ -0.0001556900000000, -0.0007506800000000, -0.0003054200000000 ] - [ -0.0001417900000000, 0.0001075800000000, 0.0004076400000000 ] - [ 0.0044350200000000, -0.0060242900000000, 0.0031448600000000 ] - [ 0.0011234500000000, 0.0018983600000000, 0.0019377600000000 ] - [ 0.0015558300000000, 0.0045538600000000, 0.0027405500000000 ] - [ 0.0002655700000000, -0.0014834400000000, 0.0009271600000000 ] - [ 0.0005561100000000, -0.0007792400000000, 0.0008651400000000 ] - [ 0.0001394400000000, 0.0000095000000000, -0.0003265400000000 ] - [ -0.0003450000000000, -0.0006874500000000, 0.0027121900000000 ] - [ -0.2606953400000000, -0.5468925900000000, -0.1948854400000000 ] - [ 0.0006101500000000, -0.0003052900000000, 0.0002158000000000 ] - [ 0.0000146200000000, -0.0007868700000000, -0.0004586400000000 ] - [ -0.0006193800000000, -0.0011613200000000, -0.0021724700000000 ] - [ 0.0006074400000000, 0.0001608600000000, 0.0003181900000000 ] - [ 0.0005152900000000, -0.0001291100000000, 0.0001875600000000 ] - [ 0.0002857900000000, 0.0009140000000000, -0.0003375700000000 ] - [ 0.0002216700000000, 0.0005634600000000, 0.0002901300000000 ] - [ -0.0000478300000000, -0.0004603000000000, -0.0000291300000000 ] - [ 0.0001007900000000, -0.0004109500000000, 0.0000638300000000 ] - [ 0.0001214000000000, 0.0004896500000000, -0.0002711800000000 ] - [ 0.0005854300000000, 0.0008639400000000, -0.0011661100000000 ] - [ 0.0001052300000000, -0.0004936700000000, 0.0004917700000000 ] - [ 0.0001218100000000, -0.0005771900000000, 0.0003468900000000 ] - [ -0.0003830300000000, 0.0026101900000000, -0.0001498200000000 ] - [ -0.0012167200000000, 0.0028576000000000, -0.0000705700000000 ] - [ 0.0009324500000000, -0.0009043800000000, -0.0022042000000000 ] - [ -0.0033007400000000, -0.0013626600000000, -0.0023423800000000 ] - [ -0.0004977100000000, -0.0001962800000000, 0.0002375700000000 ] - [ -0.0016564900000000, 0.0002142800000000, 0.0018362700000000 ] - [ 0.0002171200000000, -0.0007265300000000, 0.0002790000000000 ] - [ 0.0000406800000000, -0.0006564700000000, 0.0001699100000000 ] - [ 0.0004214500000000, -0.0013643500000000, 0.0000578400000000 ] - [ 0.0000417800000000, -0.0008260100000000, -0.0001037400000000 ] - [ -0.0001216200000000, -0.0004222900000000, -0.0018508700000000 ] - [ 0.0012504600000000, 0.0005903300000000, -0.0010915300000000 ] - [ -0.0015433600000000, 0.0088767100000000, -0.0045987900000000 ] - [ 0.0000661900000000, 0.0007280400000000, -0.0000144100000000 ] - [ 0.0000331100000000, -0.0000381900000000, 0.0003848400000000 ] - [ 0.0000008000000000, -0.0005027700000000, 0.0004612800000000 ] - [ 0.0005136300000000, 0.0002013400000000, 0.0000626100000000 ] - [ 0.0003068000000000, 0.0001557100000000, -0.0000651100000000 ] - [ -0.0001911800000000, 0.0000247700000000, 0.0007227000000000 ] - [ -0.0002323600000000, 0.0001176400000000, 0.0009266500000000 ] - [ -0.0021528000000000, 0.0022345600000000, -0.0003464500000000 ] - [ 0.0010983300000000, 0.0035420200000000, -0.0006521700000000 ] - [ 0.0001686200000000, -0.0012442900000000, 0.0007561800000000 ] - [ 0.0003576500000000, -0.0007304400000000, -0.0004923600000000 ] - [ 0.0002258900000000, 0.0006686200000000, 0.0002293800000000 ] - [ 0.0412579200000000, 0.0518911500000000, 0.0303900700000000 ] - [ -0.0004115100000000, -0.0000904600000000, -0.0002624400000000 ] - [ -0.0009741800000000, 0.0002500000000000, -0.0006758800000000 ] - [ -0.0001296600000000, -0.0003388600000000, 0.0008170600000000 ] - [ -0.0002649900000000, -0.0003516000000000, 0.0007348900000000 ] - [ -0.0003243700000000, -0.0012339100000000, -0.0010140700000000 ] - [ 0.0006630700000000, -0.0036523300000000, -0.0008580800000000 ] - [ 0.0009355700000000, -0.0000423300000000, 0.0015128300000000 ] - [ -0.0031892500000000, -0.0004736000000000, 0.0011489200000000 ] - [ 0.0002291400000000, 0.0004225500000000, 0.0001702900000000 ] - [ 0.0007223300000000, 0.0004659100000000, 0.0005599300000000 ] - [ -0.0008173000000000, 0.0013436000000000, -0.0011432600000000 ] - [ -0.0008426800000000, 0.0008276600000000, -0.0009197800000000 ] - [ -0.0004456300000000, -0.0001775500000000, 0.0002019800000000 ] - [ -0.0002386800000000, -0.0002497900000000, 0.0003597700000000 ] - [ -0.0004924500000000, 0.0049124800000000, 0.0035365000000000 ] - [ 0.0000023200000000, 0.0002888000000000, 0.0001403200000000 ] - [ 0.0001052600000000, -0.0002525400000000, 0.0004192300000000 ] - [ -0.0004079400000000, -0.0004354000000000, 0.0009283000000000 ] - [ -0.0006519700000000, -0.0005388100000000, 0.0021690700000000 ] - [ 0.0007957600000000, -0.0000323100000000, -0.0002327500000000 ] - [ 0.0004991300000000, 0.0002003200000000, -0.0000073200000000 ] - [ -0.0025260400000000, 0.0072374800000000, -0.0004288800000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021942200000000, -0.0061977700000000, 0.0001136400000000 ] - [ 0.0056863900000000, -0.0045455000000000, -0.0040709800000000 ] - [ 0.0008100900000000, 0.0003485100000000, -0.0005340600000000 ] - [ -0.0012236300000000, -0.0055302800000000, -0.0038627400000000 ] - [ -0.0005263400000000, 0.0000994200000000, 0.0002728300000000 ] - [ 0.0001922800000000, 0.0001873600000000, 0.0011007800000000 ] - [ 0.0000465900000000, 0.0014206400000000, -0.0001376000000000 ] - [ 0.0001718200000000, 0.0009646200000000, -0.0002158600000000 ] - [ -0.0008976600000000, -0.0041804800000000, 0.0043610200000000 ] - [ 0.0001233300000000, -0.0011437300000000, 0.0001131000000000 ] - [ -0.0020605900000000, 0.0092543000000000, -0.0043842100000000 ] - [ 0.0001849500000000, 0.0008752600000000, 0.0002258000000000 ] - [ 0.0003666900000000, -0.0004378000000000, -0.0002723200000000 ] - [ 0.0000484200000000, 0.0003085100000000, -0.0003961000000000 ] - [ 0.0009031000000000, 0.0017085900000000, -0.0002240000000000 ] - [ -0.0002451200000000, 0.0017807800000000, -0.0007622200000000 ] - [ -0.0002759900000000, -0.0004188500000000, 0.0005800500000000 ] - [ -0.0002443700000000, -0.0004716000000000, 0.0007528600000000 ] - [ 0.0005764700000000, 0.0001884700000000, -0.0004208400000000 ] - [ -0.0003430900000000, -0.0000761400000000, 0.0001879800000000 ] - [ 0.0000146600000000, 0.0008554000000000, 0.0004918200000000 ] - [ -0.0000788800000000, 0.0004340400000000, 0.0002879000000000 ] - [ 0.0003860300000000, -0.0010516900000000, -0.0006363000000000 ] - [ 0.0001209300000000, -0.0011446800000000, -0.0008912700000000 ] - [ -0.0001782600000000, 0.0003560800000000, 0.0002674500000000 ] - [ 0.0033263300000000, 0.0036854000000000, 0.0045294800000000 ] - [ -0.0026618700000000, -0.0047496800000000, -0.0002051100000000 ] - [ -0.0000894000000000, 0.0006415700000000, -0.0003682600000000 ] - [ 0.0000560300000000, -0.0003980600000000, 0.0001205000000000 ] - [ -0.0001563900000000, -0.0003127500000000, 0.0001351800000000 ] - [ 0.0004404600000000, 0.0005863900000000, -0.0001642300000000 ] - [ -0.0010528600000000, 0.0006598600000000, -0.0000197900000000 ] - [ 0.0000200600000000, -0.0004697200000000, 0.0005625800000000 ] - [ -0.0002447000000000, -0.0004769500000000, 0.0002825300000000 ] - [ -0.0037051700000000, 0.0017581100000000, 0.0030218300000000 ] - [ 0.0004451900000000, 0.0003603400000000, 0.0003072800000000 ] - [ -0.0001609300000000, -0.0003291300000000, 0.0004129900000000 ] - [ 0.0001804000000000, -0.0003088800000000, 0.0002360100000000 ] - [ 0.0000718000000000, -0.0005710200000000, -0.0000194200000000 ] - [ 0.0002301600000000, -0.0004901000000000, 0.0000725200000000 ] - [ 0.0005743500000000, -0.0008583900000000, 0.0010642800000000 ] - [ 0.0000397700000000, -0.0000405600000000, 0.0009159200000000 ] - [ 0.0002529600000000, 0.0005479600000000, -0.0006999200000000 ] - [ 0.0001840300000000, 0.0003894100000000, -0.0007437400000000 ] - [ 0.0000021100000000, -0.0001381300000000, 0.0000635200000000 ] - [ 0.0000626600000000, 0.0006705300000000, 0.0001654100000000 ] - [ -0.0007067500000000, 0.0018432300000000, -0.0020122300000000 ] - [ -0.0016904300000000, 0.0025461400000000, -0.0023902500000000 ] - [ -0.0021552900000000, -0.0015476200000000, 0.0027076800000000 ] - [ -0.0003538500000000, 0.0001127700000000, -0.0007872700000000 ] - [ 0.0003049000000000, -0.0003534200000000, -0.0003153500000000 ] - [ 0.0003627700000000, -0.0005314600000000, -0.0002889700000000 ] - [ -0.2027764300000000, -0.4489421300000000, -0.1526584100000000 ] - [ 0.0002464600000000, 0.0006479800000000, -0.0002273900000000 ] - [ -0.0004678600000000, -0.0003726400000000, 0.0018046900000000 ] - [ 0.0006165300000000, -0.0004009000000000, 0.0017503000000000 ] - [ -0.0005637100000000, -0.0000349700000000, -0.0001515600000000 ] - [ -0.0008717200000000, 0.0000449700000000, 0.0001915700000000 ] - [ 0.0003998600000000, 0.0000912100000000, 0.0005121000000000 ] - [ -0.0006917400000000, 0.0005786100000000, 0.0017887700000000 ] - [ 0.0000282600000000, 0.0000425300000000, 0.0000518000000000 ] - [ -0.0001446900000000, -0.0004476100000000, -0.0003149000000000 ] - [ -0.0000931100000000, 0.0000945600000000, 0.0004186200000000 ] - [ -0.0000929100000000, 0.0000004400000000, 0.0004142400000000 ] - [ -0.0000331200000000, -0.0000024200000000, -0.0000383000000000 ] - [ 0.0001545400000000, 0.0007457900000000, 0.0003035900000000 ] - [ -0.0002560300000000, 0.0002659200000000, 0.0003316600000000 ] - [ -0.0048133400000000, 0.0063661000000000, -0.0023926800000000 ] - [ -0.0013292600000000, -0.0024308700000000, -0.0003598100000000 ] - [ -0.0017460000000000, -0.0050487300000000, -0.0011444100000000 ] - [ -0.0002671300000000, 0.0014875800000000, -0.0009371900000000 ] - [ -0.0005502700000000, 0.0007710300000000, -0.0008559300000000 ] - [ 0.0000070600000000, 0.0001076200000000, -0.0005539400000000 ] - [ 0.0004881300000000, 0.0008015300000000, -0.0035672400000000 ] - [ 0.2426609400000000, 0.5221392300000000, 0.1820939900000000 ] - [ -0.0013754800000000, 0.0003798400000000, 0.0000171500000000 ] - [ -0.0000322600000000, -0.0003257100000000, -0.0003058000000000 ] - [ 0.0005837100000000, 0.0000428400000000, 0.0013921100000000 ] - [ 0.0005312200000000, 0.0001724500000000, 0.0001526700000000 ] - [ 0.0006246200000000, 0.0004607900000000, 0.0002853800000000 ] - [ -0.0002606100000000, 0.0001888600000000, 0.0011028900000000 ] - [ -0.0001930900000000, 0.0005374100000000, 0.0004794500000000 ] - [ -0.0000695500000000, -0.0006622900000000, -0.0000680500000000 ] - [ -0.0002149800000000, -0.0007115200000000, -0.0001596100000000 ] - [ -0.0001433600000000, 0.0006164800000000, -0.0004974600000000 ] - [ -0.0006079200000000, 0.0002440300000000, 0.0003932200000000 ] - [ 0.0000026900000000, -0.0008120100000000, 0.0000164000000000 ] - [ -0.0000131700000000, -0.0007293000000000, 0.0001599700000000 ] - [ -0.0001103100000000, -0.0015628900000000, 0.0014224400000000 ] - [ 0.0007176600000000, -0.0018061100000000, 0.0013404100000000 ] - [ -0.0010348700000000, 0.0022135700000000, 0.0016932100000000 ] - [ 0.0031783700000000, 0.0026537900000000, 0.0018235300000000 ] - [ -0.0006195200000000, -0.0001660100000000, -0.0000798100000000 ] - [ 0.0005269500000000, -0.0005727400000000, -0.0016619300000000 ] - [ -0.0000985900000000, -0.0003986200000000, -0.0001774300000000 ] - [ 0.0000752000000000, -0.0004680400000000, -0.0000696100000000 ] - [ -0.0005254900000000, 0.0000519200000000, -0.0005582800000000 ] - [ -0.0001488500000000, -0.0004822400000000, -0.0003991100000000 ] - [ 0.0012588000000000, 0.0000692400000000, 0.0023234800000000 ] - [ -0.0001035600000000, -0.0009143400000000, 0.0015470600000000 ] - [ 0.0014007300000000, -0.0077451600000000, 0.0044964700000000 ] - [ -0.0001796700000000, 0.0003958500000000, -0.0000842100000000 ] - [ -0.0000101900000000, -0.0010657700000000, 0.0003867200000000 ] - [ 0.0000243500000000, -0.0006029800000000, 0.0003110200000000 ] - [ 0.0002667200000000, -0.0002721700000000, -0.0002893500000000 ] - [ 0.0004697100000000, -0.0002292700000000, -0.0001647700000000 ] - [ 0.0000447400000000, -0.0001420700000000, 0.0001611800000000 ] - [ 0.0000850700000000, -0.0002337900000000, -0.0000381300000000 ] - [ 0.0022475900000000, -0.0009302800000000, 0.0008482100000000 ] - [ -0.0009808600000000, -0.0022159300000000, 0.0011507800000000 ] - [ 0.0003232500000000, 0.0001979900000000, -0.0020182600000000 ] - [ 0.0001381100000000, -0.0003098200000000, -0.0007823800000000 ] - [ -0.0001005600000000, 0.0004579900000000, -0.0001311200000000 ] - [ -0.0403460400000000, -0.0503078100000000, -0.0296990200000000 ] - [ -0.0007263800000000, -0.0002416700000000, -0.0002069500000000 ] - [ -0.0001669900000000, -0.0005803300000000, 0.0002057500000000 ] - [ -0.0003625500000000, -0.0006983800000000, 0.0004626500000000 ] - [ -0.0002286200000000, -0.0006851700000000, 0.0005445200000000 ] - [ 0.0008293500000000, 0.0022728800000000, -0.0002772200000000 ] - [ -0.0001624500000000, 0.0046649100000000, -0.0004175800000000 ] - [ -0.0020522900000000, 0.0004063600000000, -0.0013541800000000 ] - [ 0.0020527800000000, 0.0008344300000000, -0.0009867200000000 ] - [ 0.0008855100000000, -0.0000597200000000, -0.0003246100000000 ] - [ 0.0003990600000000, -0.0001017400000000, -0.0007103600000000 ] - [ -0.0003187300000000, -0.0010168600000000, 0.0006839900000000 ] - [ -0.0003001100000000, -0.0004880600000000, 0.0004432700000000 ] - [ -0.0003338200000000, 0.0001041900000000, 0.0000287400000000 ] - [ -0.0005371900000000, 0.0001745600000000, -0.0001257500000000 ] - [ 0.0003384100000000, -0.0047811900000000, -0.0026462600000000 ] - [ -0.0001457000000000, -0.0001695000000000, 0.0007367100000000 ] - [ 0.0000458900000000, 0.0001350900000000, -0.0012969800000000 ] - [ 0.0005502800000000, 0.0003150800000000, -0.0018027100000000 ] - [ 0.0017673000000000, 0.0001804200000000, -0.0023202100000000 ] - [ 0.0003245700000000, -0.0003296100000000, 0.0000773000000000 ] - [ 0.0002803500000000, -0.0001274500000000, -0.0002219600000000 ] - [ 0.0032979600000000, -0.0071385800000000, 0.0001996500000000 ]- atom: 75 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ -0.0023245500000000, -0.0005289100000000, 0.0047757500000000 ] - [ 0.0009743900000000, 0.0011151700000000, 0.0026255400000000 ] - [ 0.0009196600000000, 0.0005515900000000, -0.0007720500000000 ] - [ -0.0005502000000000, 0.0026839900000000, -0.0025957900000000 ] - [ 0.0002485000000000, 0.0003095600000000, -0.0006786700000000 ] - [ -0.0006598700000000, 0.0004384700000000, -0.0001246000000000 ] - [ 0.0001178700000000, 0.0009564400000000, -0.0009680400000000 ] - [ 0.0000537300000000, 0.0008371100000000, -0.0004714300000000 ] - [ -0.0015356700000000, 0.0004213400000000, 0.0073127100000000 ] - [ -0.0000528600000000, -0.0001801500000000, 0.0008985400000000 ] - [ 0.0002150200000000, -0.0009491200000000, 0.0037106400000000 ] - [ -0.0002132600000000, 0.0005510900000000, 0.0014038300000000 ] - [ 0.0003488400000000, -0.0005473900000000, -0.0008039000000000 ] - [ 0.0002068500000000, -0.0004985600000000, -0.0010297400000000 ] - [ -0.0005997900000000, 0.0002212200000000, -0.0001415000000000 ] - [ 0.0009951200000000, -0.0002383100000000, -0.0001889100000000 ] - [ 0.0000065500000000, -0.0004752800000000, -0.0005143700000000 ] - [ -0.0005907500000000, -0.0003674300000000, -0.0003196300000000 ] - [ 0.0006119900000000, 0.0000859900000000, -0.0002765200000000 ] - [ -0.0004990900000000, -0.0006731500000000, 0.0000891600000000 ] - [ 0.0000250900000000, 0.0004874700000000, -0.0012385600000000 ] - [ -0.0000880500000000, 0.0007216300000000, -0.0010069600000000 ] - [ -0.0005947800000000, -0.0005815000000000, -0.0010828900000000 ] - [ 0.0010428800000000, -0.0000213000000000, -0.0013163000000000 ] - [ 0.0001606300000000, 0.0002132600000000, 0.0002382500000000 ] - [ -0.0006677700000000, 0.0001183000000000, -0.0006470200000000 ] - [ -0.0009777000000000, 0.0001813900000000, 0.0025979600000000 ] - [ 0.0003803400000000, 0.0004574800000000, 0.0004904300000000 ] - [ -0.0002109000000000, -0.0002984900000000, -0.0005442600000000 ] - [ 0.0000651100000000, -0.0003843900000000, -0.0004772900000000 ] - [ 0.0001446600000000, 0.0004605100000000, 0.0007014400000000 ] - [ -0.0006983800000000, -0.0002094900000000, 0.0027137300000000 ] - [ -0.0005143100000000, -0.0007998600000000, -0.0005447100000000 ] - [ 0.0000749000000000, -0.0006170800000000, -0.0002548500000000 ] - [ 0.0003194200000000, -0.0002572900000000, -0.0003226700000000 ] - [ -0.0000289500000000, 0.0003037400000000, 0.0001114200000000 ] - [ 0.0003473300000000, -0.0006262400000000, -0.0006487400000000 ] - [ -0.0001248900000000, -0.0004219300000000, -0.0002806900000000 ] - [ 0.0003243200000000, -0.0004603000000000, -0.0006503400000000 ] - [ 0.0000158600000000, -0.0005511000000000, -0.0005344300000000 ] - [ -0.0018394100000000, 0.0031517400000000, 0.0001759500000000 ] - [ -0.0002565500000000, 0.0005828300000000, 0.0007291400000000 ] - [ -0.0001261800000000, -0.0001504500000000, -0.0008375000000000 ] - [ -0.0000806900000000, -0.0000839800000000, -0.0008603700000000 ] - [ 0.0000066600000000, -0.0002686000000000, -0.0001384900000000 ] - [ -0.0006785000000000, 0.0014534800000000, -0.0004303700000000 ] - [ 0.0004271600000000, -0.0008735600000000, -0.0006190700000000 ] - [ 0.0007735900000000, -0.0014541500000000, -0.0002664900000000 ] - [ -0.0002115300000000, 0.0005876000000000, -0.0009274000000000 ] - [ -0.0006551000000000, -0.0000001200000000, -0.0001063800000000 ] - [ 0.0000269400000000, 0.0000310000000000, -0.0003205400000000 ] - [ -0.0000365500000000, 0.0002760600000000, -0.0004799300000000 ] - [ 0.0176777800000000, 0.0724275900000000, 0.0798868900000000 ] - [ 0.0004074600000000, 0.0004649400000000, -0.0003175800000000 ] - [ -0.0001381600000000, -0.0003198300000000, 0.0019541600000000 ] - [ 0.0007998100000000, 0.0006095000000000, -0.0018151500000000 ] - [ -0.0001092100000000, -0.0001636700000000, -0.0012236600000000 ] - [ -0.0002832000000000, -0.0001182000000000, -0.0007609200000000 ] - [ 0.0008597700000000, -0.0000718900000000, -0.0003716700000000 ] - [ 0.0013321800000000, -0.0001460000000000, -0.0010396800000000 ] - [ -0.0001872400000000, -0.0004606400000000, -0.0003667700000000 ] - [ -0.0004476600000000, -0.0012563200000000, -0.0010308100000000 ] - [ -0.0003324400000000, -0.0004999200000000, 0.0002983200000000 ] - [ -0.0002935400000000, -0.0002667300000000, 0.0004509700000000 ] - [ -0.0000143100000000, -0.0000915400000000, 0.0001059200000000 ] - [ 0.0002952600000000, 0.0011833700000000, 0.0004675200000000 ] - [ -0.0002386100000000, 0.0002128400000000, 0.0003025700000000 ] - [ -0.0007715500000000, 0.0006689100000000, -0.0000179700000000 ] - [ 0.0002575800000000, 0.0012222200000000, 0.0016586100000000 ] - [ 0.0000391500000000, -0.0001070000000000, 0.0006221100000000 ] - [ -0.0002423600000000, 0.0001566500000000, -0.0011825000000000 ] - [ 0.0003248900000000, -0.0004710500000000, 0.0005245400000000 ] - [ -0.0003813800000000, 0.0002814300000000, 0.0001403200000000 ] - [ -0.0000036500000000, 0.0009093400000000, 0.0008592400000000 ] - [ -0.0294788900000000, -0.0875435300000000, -0.0834745700000000 ] - [ -0.0003948800000000, -0.0002251000000000, -0.0004287200000000 ] - [ -0.0000454700000000, -0.0005359200000000, -0.0011270400000000 ] - [ -0.0012984000000000, -0.0026549800000000, -0.0010571000000000 ] - [ 0.0003827200000000, 0.0003281700000000, 0.0008493700000000 ] - [ 0.0008542300000000, 0.0006877100000000, 0.0011329600000000 ] - [ 0.0004104700000000, -0.0005114400000000, 0.0002485000000000 ] - [ 0.0002327900000000, 0.0007487700000000, 0.0002581000000000 ] - [ -0.0001969300000000, -0.0006169100000000, 0.0003111700000000 ] - [ 0.0002053600000000, -0.0004834400000000, 0.0003056900000000 ] - [ 0.0001051500000000, 0.0006065400000000, -0.0000316800000000 ] - [ -0.0007975900000000, -0.0001026300000000, 0.0008970100000000 ] - [ 0.0000401000000000, -0.0004831000000000, 0.0007903500000000 ] - [ 0.0001611400000000, -0.0005671200000000, 0.0006372900000000 ] - [ -0.0004663400000000, 0.0008421100000000, -0.0001584700000000 ] - [ -0.0005910800000000, 0.0013296600000000, -0.0002068900000000 ] - [ -0.0013871500000000, 0.0001886400000000, -0.0002302500000000 ] - [ 0.0005842700000000, 0.0005633200000000, -0.0011748700000000 ] - [ -0.0006667600000000, -0.0001617700000000, 0.0008875700000000 ] - [ -0.0009805600000000, -0.0000473900000000, 0.0012455100000000 ] - [ 0.0003384100000000, -0.0006783400000000, 0.0005506000000000 ] - [ -0.0000478100000000, -0.0005924600000000, 0.0005591700000000 ] - [ 0.0010942500000000, -0.0023863800000000, 0.0007701200000000 ] - [ -0.0000737900000000, -0.0007842900000000, 0.0001144200000000 ] - [ 0.0017931400000000, -0.0034446700000000, -0.0000447700000000 ] - [ 0.0005611700000000, 0.0000434000000000, -0.0005791700000000 ] - [ 0.0003324400000000, -0.0016114200000000, -0.0002933700000000 ] - [ -0.0000868300000000, 0.0004397700000000, -0.0002738900000000 ] - [ -0.0002801400000000, -0.0013276000000000, 0.0005376500000000 ] - [ 0.0001134100000000, -0.0005491800000000, 0.0005574400000000 ] - [ 0.0006674800000000, 0.0000945100000000, 0.0002671300000000 ] - [ 0.0002424900000000, 0.0000488400000000, 0.0002166400000000 ] - [ -0.0003544600000000, 0.0000463400000000, 0.0011215100000000 ] - [ 0.0000263100000000, -0.0000311400000000, 0.0008560000000000 ] - [ -0.0002841000000000, 0.0010219500000000, -0.0002827300000000 ] - [ 0.0002592800000000, 0.0015337800000000, -0.0003649000000000 ] - [ 0.0002198000000000, -0.0022021300000000, 0.0034100500000000 ] - [ 0.0003991600000000, -0.0006526300000000, -0.0003197800000000 ] - [ -0.0001742300000000, 0.0005007000000000, -0.0003225200000000 ] - [ 0.0189209000000000, 0.0168141700000000, -0.0178786500000000 ] - [ -0.0006625900000000, -0.0000344700000000, 0.0002144800000000 ] - [ 0.0002649000000000, -0.0004825500000000, 0.0009588000000000 ] - [ -0.0000532300000000, -0.0003661000000000, 0.0011694100000000 ] - [ -0.0001705300000000, -0.0003571000000000, 0.0011260200000000 ] - [ -0.0021299600000000, 0.0004169800000000, 0.0003980300000000 ] - [ 0.0003918000000000, 0.0002922400000000, -0.0006155500000000 ] - [ 0.0004594300000000, 0.0002412100000000, -0.0012469400000000 ] - [ -0.0037184100000000, 0.0004730900000000, 0.0013185000000000 ] - [ 0.0002195400000000, 0.0003319400000000, 0.0005208000000000 ] - [ 0.0005667500000000, 0.0002595800000000, 0.0002345200000000 ] - [ -0.0000538500000000, -0.0003904400000000, 0.0009226400000000 ] - [ -0.0009908700000000, 0.0005173800000000, -0.0005288500000000 ] - [ -0.0005375800000000, -0.0001268200000000, 0.0007729100000000 ] - [ -0.0000971600000000, -0.0002008400000000, 0.0006533000000000 ] - [ 0.0003415700000000, 0.0026846700000000, 0.0007295000000000 ] - [ -0.0002570900000000, 0.0002390200000000, 0.0000181900000000 ] - [ 0.0018918000000000, 0.0004083700000000, -0.0009655300000000 ] - [ -0.0007615600000000, -0.0004515400000000, 0.0012795200000000 ] - [ 0.0003198500000000, 0.0008313200000000, 0.0004908400000000 ] - [ 0.0007752100000000, -0.0000257900000000, -0.0001888400000000 ] - [ 0.0002700700000000, -0.0000361600000000, -0.0001826900000000 ] - [ 0.0010252200000000, -0.0007131700000000, 0.0003484800000000 ]- atom: 75 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ 0.0022314900000000, -0.0011167900000000, -0.0045392500000000 ] - [ -0.0010162300000000, -0.0027825700000000, -0.0024261600000000 ] - [ -0.0003580300000000, 0.0006020200000000, -0.0003859900000000 ] - [ 0.0011253700000000, -0.0015686700000000, 0.0016236700000000 ] - [ -0.0007373300000000, 0.0008130200000000, 0.0015690700000000 ] - [ 0.0001774000000000, 0.0006857500000000, 0.0010265300000000 ] - [ -0.0000397100000000, 0.0006753900000000, 0.0007150200000000 ] - [ 0.0000262900000000, 0.0007978600000000, 0.0002173600000000 ] - [ 0.0011509800000000, -0.0015114400000000, -0.0070110400000000 ] - [ -0.0004321200000000, -0.0009517200000000, -0.0000113800000000 ] - [ -0.0007801600000000, 0.0021675900000000, -0.0026119000000000 ] - [ -0.0003367800000000, 0.0006050600000000, -0.0002502900000000 ] - [ 0.0001375300000000, -0.0005796800000000, -0.0000842500000000 ] - [ 0.0002767300000000, -0.0006215400000000, 0.0001465100000000 ] - [ 0.0010886700000000, 0.0009110300000000, -0.0007565000000000 ] - [ -0.0005127000000000, 0.0013748400000000, -0.0007097500000000 ] - [ -0.0005595100000000, -0.0006781100000000, 0.0016780900000000 ] - [ 0.0000390700000000, -0.0007865400000000, 0.0014838700000000 ] - [ -0.0005363000000000, -0.0017124500000000, 0.0000284000000000 ] - [ 0.0005814500000000, -0.0009560800000000, -0.0003335800000000 ] - [ -0.0001037200000000, 0.0011501600000000, 0.0015019200000000 ] - [ 0.0000079300000000, 0.0009097600000000, 0.0012635000000000 ] - [ 0.0011546300000000, -0.0005768700000000, -0.0000764200000000 ] - [ -0.0004994500000000, -0.0011415000000000, 0.0001567000000000 ] - [ -0.0004405100000000, 0.0008518000000000, 0.0000489900000000 ] - [ 0.0004231100000000, 0.0009765100000000, 0.0009713700000000 ] - [ 0.0012490500000000, 0.0008829100000000, -0.0028864200000000 ] - [ -0.0001006700000000, 0.0006122900000000, -0.0007805900000000 ] - [ 0.0001317200000000, -0.0004362800000000, 0.0004552900000000 ] - [ -0.0001482100000000, -0.0003492600000000, 0.0003871000000000 ] - [ -0.0002239600000000, 0.0002750400000000, -0.0007940800000000 ] - [ 0.0006356100000000, 0.0009342100000000, -0.0028047400000000 ] - [ 0.0002391500000000, -0.0002630300000000, 0.0008355600000000 ] - [ -0.0003558500000000, -0.0004501100000000, 0.0005412600000000 ] - [ -0.0002776400000000, 0.0009995400000000, 0.0004440000000000 ] - [ 0.0001146900000000, 0.0004304300000000, -0.0000171900000000 ] - [ -0.0002691600000000, -0.0001029800000000, 0.0007454000000000 ] - [ 0.0002065300000000, -0.0003105700000000, 0.0003726000000000 ] - [ -0.0000468900000000, -0.0006088500000000, 0.0003686200000000 ] - [ 0.0002644400000000, -0.0005171900000000, 0.0002518800000000 ] - [ 0.0016516200000000, -0.0026515600000000, 0.0014110600000000 ] - [ 0.0000513800000000, -0.0000546000000000, 0.0008515500000000 ] - [ 0.0003333000000000, 0.0006830200000000, -0.0007421800000000 ] - [ 0.0002883800000000, 0.0006172100000000, -0.0007186000000000 ] - [ -0.0000051300000000, 0.0002648400000000, 0.0001393300000000 ] - [ 0.0006871300000000, -0.0014728000000000, 0.0004374700000000 ] - [ -0.0002243500000000, 0.0003581700000000, -0.0009689100000000 ] - [ -0.0005798600000000, 0.0009412500000000, -0.0013222900000000 ] - [ -0.0007799400000000, -0.0004784100000000, 0.0000844000000000 ] - [ -0.0003518300000000, 0.0001072400000000, -0.0007080300000000 ] - [ 0.0003861200000000, -0.0004325900000000, -0.0004094000000000 ] - [ 0.0004511900000000, -0.0006811700000000, -0.0002490300000000 ] - [ -0.0181868500000000, -0.0746798600000000, -0.0828317900000000 ] - [ 0.0000058100000000, -0.0000609700000000, -0.0004112000000000 ] - [ 0.0011574200000000, 0.0002179600000000, -0.0011702100000000 ] - [ 0.0002058600000000, -0.0007201200000000, 0.0026418200000000 ] - [ -0.0009019300000000, 0.0000586800000000, 0.0004196800000000 ] - [ -0.0007309100000000, 0.0000134800000000, -0.0000403100000000 ] - [ 0.0001465200000000, 0.0001793400000000, 0.0011851600000000 ] - [ -0.0003355700000000, 0.0002589800000000, 0.0018646900000000 ] - [ 0.0001897300000000, 0.0004654800000000, 0.0003718500000000 ] - [ 0.0004479000000000, 0.0012536400000000, 0.0010314100000000 ] - [ -0.0000791000000000, 0.0001014300000000, 0.0004323000000000 ] - [ -0.0001198100000000, -0.0001355400000000, 0.0002778400000000 ] - [ 0.0000142400000000, 0.0000929200000000, -0.0001067900000000 ] - [ -0.0002915500000000, -0.0011681500000000, -0.0004639100000000 ] - [ -0.0001747200000000, 0.0001889000000000, 0.0004272900000000 ] - [ 0.0003412300000000, -0.0002410500000000, 0.0007284900000000 ] - [ -0.0004705200000000, -0.0017386400000000, -0.0000620100000000 ] - [ -0.0002522000000000, -0.0004447100000000, 0.0009484900000000 ] - [ 0.0002411900000000, -0.0001497800000000, 0.0011869900000000 ] - [ -0.0003302800000000, 0.0004780500000000, -0.0005320100000000 ] - [ 0.0005101300000000, -0.0001530200000000, -0.0009927900000000 ] - [ 0.0001389400000000, -0.0007708500000000, -0.0017388000000000 ] - [ 0.0295186200000000, 0.0903777900000000, 0.0866134600000000 ] - [ -0.0003938700000000, 0.0002801200000000, 0.0006472800000000 ] - [ 0.0000216800000000, -0.0005946200000000, 0.0003618600000000 ] - [ 0.0012909000000000, 0.0015459200000000, 0.0003052100000000 ] - [ 0.0007606400000000, 0.0000233000000000, -0.0003673600000000 ] - [ 0.0002906000000000, -0.0003326800000000, -0.0006495100000000 ] - [ -0.0003979400000000, 0.0016632800000000, 0.0005225200000000 ] - [ -0.0002136100000000, 0.0003906500000000, 0.0005087200000000 ] - [ 0.0000950700000000, -0.0004843400000000, -0.0004034800000000 ] - [ -0.0003087000000000, -0.0006175600000000, -0.0003980500000000 ] - [ -0.0001286600000000, 0.0005278200000000, -0.0007364200000000 ] - [ 0.0007681500000000, 0.0012336800000000, -0.0016536200000000 ] - [ 0.0000559200000000, -0.0008459000000000, -0.0002876900000000 ] - [ -0.0000645400000000, -0.0007599400000000, -0.0001329600000000 ] - [ -0.0000177200000000, 0.0001833100000000, 0.0014467700000000 ] - [ 0.0001043400000000, -0.0003026900000000, 0.0014952500000000 ] - [ 0.0012879800000000, 0.0011380400000000, -0.0002731000000000 ] - [ -0.0006721600000000, 0.0007729200000000, 0.0006720400000000 ] - [ -0.0004583600000000, -0.0001945500000000, -0.0007208700000000 ] - [ -0.0001334100000000, -0.0003129500000000, -0.0010922500000000 ] - [ -0.0002386300000000, -0.0004224900000000, -0.0004627700000000 ] - [ 0.0001498900000000, -0.0005087500000000, -0.0004705400000000 ] - [ -0.0012044200000000, 0.0010811500000000, -0.0012836500000000 ] - [ -0.0000230700000000, -0.0005402600000000, -0.0006213100000000 ] - [ -0.0006573100000000, 0.0031258800000000, 0.0005407800000000 ] - [ 0.0005802900000000, -0.0004043400000000, 0.0010785600000000 ] - [ -0.0004219000000000, 0.0026835400000000, 0.0002085900000000 ] - [ -0.0000173200000000, 0.0006599700000000, 0.0001835000000000 ] - [ 0.0003010000000000, 0.0001837400000000, 0.0002239800000000 ] - [ -0.0000925500000000, -0.0005885800000000, 0.0002047600000000 ] - [ 0.0001120900000000, -0.0001506600000000, -0.0004855300000000 ] - [ 0.0005403100000000, -0.0001012400000000, -0.0004328800000000 ] - [ 0.0002261300000000, -0.0001755200000000, -0.0002773000000000 ] - [ -0.0001531000000000, -0.0000993800000000, -0.0000156300000000 ] - [ 0.0003998200000000, 0.0002937100000000, 0.0007935000000000 ] - [ -0.0001725400000000, -0.0002248600000000, 0.0008774000000000 ] - [ 0.0002736000000000, 0.0011801200000000, -0.0047409000000000 ] - [ 0.0000885100000000, -0.0003852200000000, -0.0009617200000000 ] - [ 0.0002762900000000, 0.0006025300000000, 0.0004130200000000 ] - [ -0.0188388900000000, -0.0158863300000000, 0.0177166400000000 ] - [ -0.0004834600000000, -0.0003224400000000, -0.0007032100000000 ] - [ -0.0014025300000000, 0.0001174700000000, -0.0014403700000000 ] - [ -0.0004367400000000, -0.0006735600000000, 0.0001075700000000 ] - [ -0.0003185600000000, -0.0006847300000000, 0.0001507600000000 ] - [ 0.0025932300000000, 0.0006308200000000, -0.0016604400000000 ] - [ 0.0000837800000000, 0.0007652200000000, -0.0006698700000000 ] - [ -0.0015934500000000, 0.0001131000000000, 0.0014338000000000 ] - [ 0.0026274300000000, -0.0001233500000000, -0.0011518200000000 ] - [ 0.0009100000000000, 0.0000238800000000, -0.0006980400000000 ] - [ 0.0005551900000000, 0.0000959400000000, -0.0004122300000000 ] - [ -0.0010925900000000, 0.0007455000000000, -0.0014116200000000 ] - [ -0.0001498700000000, -0.0001676500000000, 0.0000498000000000 ] - [ -0.0002419800000000, 0.0000730300000000, -0.0005580900000000 ] - [ -0.0006862800000000, 0.0001498900000000, -0.0004404800000000 ] - [ -0.0004789100000000, -0.0025805900000000, 0.0001424800000000 ] - [ 0.0001257200000000, -0.0001133200000000, 0.0008389600000000 ] - [ -0.0017840300000000, -0.0005435700000000, 0.0001250100000000 ] - [ 0.0008989200000000, 0.0003257700000000, -0.0021424800000000 ] - [ 0.0007957900000000, -0.0012101500000000, -0.0006410400000000 ] - [ 0.0003491900000000, -0.0003319400000000, 0.0000175300000000 ] - [ 0.0005108500000000, 0.0000899500000000, -0.0000356900000000 ] - [ -0.0002352900000000, 0.0007263700000000, -0.0005715800000000 ]- atom: 77 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0050933300000000, -0.0010089800000000, 0.0023742000000000 ] - [ -0.0015816300000000, -0.0010487600000000, 0.0011636200000000 ] - [ 0.0006332700000000, 0.0004644300000000, -0.0001953400000000 ] - [ -0.0000911300000000, 0.0008193700000000, -0.0009230100000000 ] - [ -0.0002022500000000, 0.0005009600000000, 0.0000665000000000 ] - [ -0.0002943300000000, 0.0005474600000000, 0.0007837600000000 ] - [ -0.0009562800000000, 0.0000438200000000, 0.0005884200000000 ] - [ -0.0007695000000000, 0.0016200700000000, -0.0036926600000000 ] - [ -0.0021973500000000, 0.0008645200000000, 0.0006739400000000 ] - [ 0.0134940600000000, 0.0108559200000000, 0.0008363800000000 ] - [ -0.0013934800000000, -0.0006874600000000, -0.0002018100000000 ] - [ -0.0010493800000000, 0.0014887800000000, 0.0047679300000000 ] - [ 0.0002335500000000, -0.0005717100000000, -0.0002541500000000 ] - [ 0.0002494900000000, -0.0005950600000000, -0.0006836200000000 ] - [ 0.0038993500000000, 0.0018966400000000, -0.0002136500000000 ] - [ -0.0011702600000000, 0.0007924100000000, -0.0004065000000000 ] - [ -0.0004774200000000, -0.0004553000000000, 0.0002647800000000 ] - [ -0.0000740400000000, -0.0004028600000000, 0.0006138500000000 ] - [ 0.0002487900000000, -0.0005739400000000, -0.0002757400000000 ] - [ -0.0001915600000000, -0.0007816400000000, 0.0001867800000000 ] - [ -0.0003643900000000, 0.0009292000000000, 0.0004699600000000 ] - [ 0.0002910500000000, 0.0008643100000000, -0.0003579000000000 ] - [ 0.0042944900000000, -0.0007230900000000, -0.0015237800000000 ] - [ -0.0010488000000000, -0.0011142100000000, -0.0013656800000000 ] - [ 0.0002255000000000, 0.0003740800000000, 0.0000901200000000 ] - [ -0.0003501300000000, 0.0004765500000000, 0.0001412000000000 ] - [ 0.0000591800000000, 0.0009533900000000, -0.0001066600000000 ] - [ -0.0001126000000000, 0.0004955100000000, 0.0003132300000000 ] - [ -0.0000827900000000, -0.0006136700000000, 0.0002496700000000 ] - [ -0.0001245300000000, -0.0004082100000000, -0.0002951500000000 ] - [ 0.0006428600000000, 0.0005481600000000, 0.0003232600000000 ] - [ -0.0003958000000000, 0.0004538900000000, 0.0000881200000000 ] - [ -0.0002618000000000, -0.0002377300000000, 0.0002340100000000 ] - [ -0.0003787000000000, -0.0005412300000000, -0.0003940700000000 ] - [ -0.0000462100000000, 0.0001686700000000, -0.0002168800000000 ] - [ -0.0000316900000000, 0.0003450600000000, 0.0003041100000000 ] - [ -0.0003142800000000, -0.0002933000000000, -0.0000905000000000 ] - [ 0.0007389600000000, -0.0000417600000000, -0.0001849500000000 ] - [ -0.0000516500000000, -0.0005959500000000, -0.0001154600000000 ] - [ 0.0004260000000000, -0.0006908900000000, -0.0002413800000000 ] - [ -0.0004175700000000, 0.0013472800000000, 0.0002223100000000 ] - [ -0.0005283500000000, 0.0006717300000000, 0.0008154800000000 ] - [ 0.0001351500000000, 0.0002967600000000, -0.0008174200000000 ] - [ 0.0000381900000000, 0.0001681900000000, -0.0006857600000000 ] - [ 0.1015927000000000, -0.1599868100000000, 0.0268463100000000 ] - [ -0.0004428100000000, 0.0006627700000000, 0.0000207200000000 ] - [ 0.0013019100000000, -0.0028545300000000, 0.0003708800000000 ] - [ 0.0000056900000000, 0.0002147500000000, -0.0011120500000000 ] - [ -0.0005498400000000, 0.0000007600000000, -0.0005326200000000 ] - [ -0.0007600400000000, 0.0005350600000000, -0.0002708500000000 ] - [ 0.0000419500000000, 0.0001370400000000, -0.0004410700000000 ] - [ -0.0000977900000000, 0.0001763600000000, -0.0008466300000000 ] - [ -0.0001660700000000, -0.0008115600000000, -0.0008942000000000 ] - [ 0.0007750500000000, 0.0014789600000000, 0.0001512500000000 ] - [ 0.0015176500000000, -0.0004006400000000, -0.0018124200000000 ] - [ 0.0000114600000000, -0.0003247900000000, 0.0021262000000000 ] - [ -0.0003753800000000, -0.0000858500000000, -0.0006222100000000 ] - [ -0.0005943000000000, -0.0000111600000000, -0.0002548600000000 ] - [ 0.0003704400000000, 0.0001139800000000, 0.0005875500000000 ] - [ 0.0006623100000000, 0.0000042400000000, 0.0001609900000000 ] - [ 0.0000133400000000, 0.0000148600000000, 0.0000314100000000 ] - [ -0.0000098500000000, -0.0000158700000000, 0.0000060900000000 ] - [ -0.0004674200000000, -0.0004845100000000, 0.0002160000000000 ] - [ -0.0004774900000000, -0.0009261200000000, 0.0000282000000000 ] - [ 0.0000487200000000, 0.0001639500000000, 0.0000004600000000 ] - [ 0.0000431000000000, 0.0001321900000000, 0.0000632600000000 ] - [ -0.0001508800000000, 0.0000749100000000, 0.0003143700000000 ] - [ -0.0002480900000000, 0.0003041700000000, 0.0003601200000000 ] - [ 0.0001743100000000, 0.0001710000000000, 0.0014780700000000 ] - [ -0.0000511000000000, -0.0002163300000000, 0.0007381500000000 ] - [ 0.0014498100000000, -0.0022387200000000, 0.0032090100000000 ] - [ -0.0022018200000000, 0.0025488400000000, -0.0038866400000000 ] - [ 0.0000372300000000, 0.0000577300000000, -0.0006528100000000 ] - [ 0.0000437700000000, 0.0001302200000000, -0.0001692600000000 ] - [ 0.0007597800000000, 0.0000497400000000, 0.0005006300000000 ] - [ -0.0007316500000000, -0.0005713900000000, -0.0013924100000000 ] - [ -0.1185700500000000, 0.1754615000000000, -0.0319141500000000 ] - [ 0.0011419500000000, -0.0007628500000000, -0.0004649600000000 ] - [ 0.0006339000000000, 0.0000869400000000, 0.0002337400000000 ] - [ 0.0004688700000000, 0.0001185000000000, 0.0002475400000000 ] - [ 0.0014190300000000, 0.0004628900000000, 0.0002330300000000 ] - [ -0.0156152400000000, -0.0294815800000000, 0.0025993100000000 ] - [ 0.0005542600000000, -0.0002468100000000, 0.0002412300000000 ] - [ -0.0008697000000000, 0.0003255900000000, 0.0000146400000000 ] - [ -0.0000036400000000, 0.0004631400000000, -0.0005192800000000 ] - [ 0.0000048200000000, 0.0004713400000000, -0.0002172300000000 ] - [ 0.0001913500000000, -0.0007025500000000, 0.0001954900000000 ] - [ -0.0000864000000000, -0.0007498200000000, 0.0006015000000000 ] - [ -0.0016446800000000, 0.0013433700000000, -0.0008417000000000 ] - [ 0.0002777200000000, 0.0003996300000000, 0.0005867000000000 ] - [ -0.0004029000000000, 0.0001817000000000, -0.0000187900000000 ] - [ 0.0001653800000000, 0.0006384000000000, -0.0004219000000000 ] - [ -0.0004471200000000, -0.0001642300000000, -0.0001172800000000 ] - [ -0.0006576100000000, -0.0001366600000000, 0.0003371000000000 ] - [ 0.0000432500000000, -0.0009261200000000, -0.0002005700000000 ] - [ 0.0002252500000000, -0.0006945100000000, 0.0003138200000000 ] - [ 0.0011279300000000, -0.0010313200000000, -0.0003902800000000 ] - [ 0.0000447800000000, -0.0005501100000000, 0.0002005600000000 ] - [ 0.0057078600000000, 0.0030020600000000, -0.0006130400000000 ] - [ 0.0057186800000000, -0.0024069600000000, 0.0000783900000000 ] - [ 0.0000217500000000, 0.0004592600000000, 0.0000326300000000 ] - [ -0.0001159600000000, 0.0005353000000000, -0.0003770000000000 ] - [ -0.0000104100000000, -0.0006575400000000, 0.0004650600000000 ] - [ -0.0000123100000000, -0.0006716900000000, 0.0003023000000000 ] - [ 0.0002299900000000, 0.0002451600000000, 0.0002660500000000 ] - [ 0.0009842700000000, 0.0001824500000000, 0.0003505600000000 ] - [ -0.0000932100000000, -0.0000114400000000, 0.0006382100000000 ] - [ -0.0000576500000000, -0.0000461800000000, 0.0002911600000000 ] - [ -0.0005547000000000, 0.0027962800000000, 0.0003690200000000 ] - [ 0.0005658800000000, 0.0003784200000000, -0.0000084600000000 ] - [ 0.0009075600000000, -0.0010756700000000, -0.0004924800000000 ] - [ -0.0006686100000000, -0.0007060800000000, 0.0008070600000000 ] - [ -0.0012892800000000, 0.0003105900000000, -0.0008741700000000 ] - [ 0.0007379900000000, 0.0009830800000000, 0.0004097500000000 ] - [ -0.0006802600000000, -0.0002099400000000, -0.0002480200000000 ] - [ -0.0004917500000000, -0.0002610200000000, -0.0002584900000000 ] - [ -0.0002536300000000, -0.0004698000000000, 0.0005365800000000 ] - [ -0.0002242000000000, -0.0005616400000000, 0.0010380100000000 ] - [ 0.0000237200000000, -0.0001289500000000, 0.0003179200000000 ] - [ 0.0003180600000000, 0.0005287100000000, -0.0008450100000000 ] - [ -0.0021989900000000, -0.0012072900000000, 0.0002128800000000 ] - [ 0.0002414100000000, 0.0001544000000000, -0.0007301500000000 ] - [ 0.0004733800000000, 0.0002460800000000, 0.0001132300000000 ] - [ 0.0006323300000000, 0.0001987700000000, -0.0002335400000000 ] - [ 0.0004956200000000, 0.0037368000000000, -0.0012448300000000 ] - [ 0.0016488500000000, -0.0015087300000000, 0.0029887100000000 ] - [ -0.0001256000000000, -0.0001591000000000, 0.0003306400000000 ] - [ -0.0006623400000000, -0.0006262300000000, -0.0008330900000000 ] - [ -0.0004017500000000, 0.0001530700000000, 0.0002293200000000 ] - [ 0.0001285100000000, 0.0003543800000000, 0.0002353400000000 ] - [ -0.0001735100000000, -0.0025484600000000, 0.0005321600000000 ] - [ 0.0017475500000000, 0.0001553700000000, -0.0007158500000000 ] - [ 0.0010162900000000, -0.0002882000000000, 0.0000429400000000 ] - [ 0.0004246400000000, -0.0000672300000000, -0.0000225200000000 ] - [ 0.0001667500000000, 0.0000035400000000, -0.0005036500000000 ] - [ 0.0005519400000000, 0.0000373200000000, 0.0000627200000000 ]- atom: 77 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0051386000000000, -0.0006561500000000, -0.0019752700000000 ] - [ 0.0015052700000000, -0.0005893400000000, -0.0009179200000000 ] - [ -0.0000796700000000, 0.0006929500000000, -0.0009638100000000 ] - [ 0.0006425600000000, 0.0003371200000000, -0.0002375200000000 ] - [ -0.0002833100000000, 0.0006238500000000, 0.0008265900000000 ] - [ -0.0001910700000000, 0.0005779400000000, 0.0001117200000000 ] - [ 0.0010330600000000, 0.0015855300000000, -0.0008337600000000 ] - [ 0.0008163300000000, 0.0000252000000000, 0.0033828500000000 ] - [ 0.0017119000000000, -0.0019831600000000, 0.0002234800000000 ] - [ -0.0142816200000000, -0.0124099200000000, 0.0000504900000000 ] - [ 0.0008379200000000, 0.0018344200000000, 0.0013527500000000 ] - [ 0.0004688200000000, -0.0003526300000000, -0.0035543600000000 ] - [ 0.0002508400000000, -0.0005546100000000, -0.0006390300000000 ] - [ 0.0002363400000000, -0.0005315200000000, -0.0002134600000000 ] - [ -0.0033561700000000, -0.0007242600000000, -0.0006797600000000 ] - [ 0.0016469000000000, 0.0003382400000000, -0.0004870300000000 ] - [ -0.0000774700000000, -0.0006976800000000, 0.0008918200000000 ] - [ -0.0004768200000000, -0.0007485700000000, 0.0005404100000000 ] - [ -0.0001688200000000, -0.0010583800000000, 0.0000269400000000 ] - [ 0.0002679400000000, -0.0008520800000000, -0.0004365500000000 ] - [ 0.0002842000000000, 0.0007069200000000, -0.0002177700000000 ] - [ -0.0003684000000000, 0.0007738500000000, 0.0006094100000000 ] - [ -0.0037168900000000, -0.0004384200000000, 0.0002557000000000 ] - [ 0.0016003600000000, -0.0000462700000000, 0.0002101500000000 ] - [ -0.0005047900000000, 0.0006896800000000, 0.0001931300000000 ] - [ 0.0000691000000000, 0.0005900900000000, 0.0001448200000000 ] - [ 0.0002224400000000, 0.0001180300000000, -0.0001796500000000 ] - [ 0.0003925000000000, 0.0005757200000000, -0.0006004800000000 ] - [ 0.0000002500000000, -0.0001219900000000, -0.0003411800000000 ] - [ 0.0000410800000000, -0.0003268200000000, 0.0002022400000000 ] - [ -0.0007252500000000, 0.0001903300000000, -0.0004129600000000 ] - [ 0.0003141000000000, 0.0002800000000000, -0.0001786100000000 ] - [ -0.0000178700000000, -0.0008281500000000, 0.0000530400000000 ] - [ 0.0000975700000000, -0.0005206800000000, 0.0006830200000000 ] - [ 0.0001290100000000, 0.0005624800000000, 0.0003074500000000 ] - [ 0.0001142100000000, 0.0003858000000000, -0.0002115200000000 ] - [ 0.0003985500000000, -0.0004387000000000, 0.0001864000000000 ] - [ -0.0006561600000000, -0.0006850900000000, 0.0002763200000000 ] - [ 0.0003310600000000, -0.0004719700000000, -0.0001704400000000 ] - [ -0.0001457300000000, -0.0003791800000000, -0.0000447600000000 ] - [ 0.0002107200000000, -0.0008156300000000, 0.0013586000000000 ] - [ 0.0003358400000000, -0.0001664800000000, 0.0007778300000000 ] - [ 0.0000682800000000, 0.0002294300000000, -0.0007667000000000 ] - [ 0.0001674600000000, 0.0003612100000000, -0.0008935900000000 ] - [ -0.0991779900000000, 0.1602820700000000, -0.0268791700000000 ] - [ 0.0004422800000000, -0.0006635300000000, -0.0000207200000000 ] - [ -0.0010861000000000, 0.0023009800000000, -0.0019452000000000 ] - [ 0.0001976400000000, -0.0007368000000000, -0.0004740100000000 ] - [ -0.0004607300000000, 0.0001044600000000, -0.0002770800000000 ] - [ -0.0002530700000000, -0.0004289800000000, -0.0005333900000000 ] - [ 0.0003702400000000, -0.0005382300000000, -0.0002884300000000 ] - [ 0.0005069900000000, -0.0005721600000000, 0.0001140600000000 ] - [ 0.0005765300000000, 0.0012118300000000, 0.0001631700000000 ] - [ -0.0003700400000000, -0.0010914600000000, -0.0008885300000000 ] - [ -0.0005122800000000, 0.0002875500000000, 0.0026181000000000 ] - [ 0.0010024500000000, 0.0002201400000000, -0.0013326100000000 ] - [ -0.0006352400000000, -0.0000196800000000, -0.0001841700000000 ] - [ -0.0004156300000000, -0.0000947000000000, -0.0005523900000000 ] - [ 0.0006403300000000, -0.0000081500000000, 0.0002179000000000 ] - [ 0.0003486200000000, 0.0001015200000000, 0.0006442800000000 ] - [ -0.0000124600000000, -0.0000127400000000, -0.0000287000000000 ] - [ 0.0000110400000000, 0.0000184400000000, -0.0000028900000000 ] - [ 0.0000570800000000, 0.0000896300000000, 0.0005176900000000 ] - [ 0.0000617700000000, 0.0005151300000000, 0.0006971000000000 ] - [ -0.0000482100000000, -0.0001621300000000, -0.0000001700000000 ] - [ -0.0000413900000000, -0.0001252800000000, -0.0000622100000000 ] - [ -0.0002637400000000, 0.0003294600000000, 0.0004123300000000 ] - [ -0.0001632100000000, 0.0000945900000000, 0.0003705100000000 ] - [ -0.0003760500000000, -0.0006941800000000, 0.0001079100000000 ] - [ -0.0001521800000000, -0.0003093700000000, 0.0008462500000000 ] - [ -0.0014059200000000, 0.0022345900000000, -0.0031810000000000 ] - [ 0.0022142200000000, -0.0025978700000000, 0.0039538300000000 ] - [ 0.0000886900000000, 0.0000725000000000, -0.0001889900000000 ] - [ 0.0000824700000000, 0.0000001900000000, -0.0006720900000000 ] - [ -0.0015400400000000, 0.0000035100000000, -0.0002834900000000 ] - [ -0.0000471100000000, 0.0006296900000000, 0.0016230700000000 ] - [ 0.1159488800000000, -0.1764589300000000, 0.0311229000000000 ] - [ -0.0011600200000000, -0.0003748500000000, -0.0003014300000000 ] - [ 0.0005106700000000, 0.0002674600000000, 0.0002524300000000 ] - [ 0.0006762600000000, 0.0002359700000000, 0.0002389500000000 ] - [ -0.0013921600000000, 0.0006801600000000, 0.0005296800000000 ] - [ 0.0159651700000000, 0.0305861400000000, -0.0018405500000000 ] - [ -0.0006519200000000, -0.0008472000000000, -0.0003301500000000 ] - [ 0.0007611100000000, -0.0014213800000000, -0.0000976400000000 ] - [ -0.0000183100000000, 0.0006726900000000, -0.0002454300000000 ] - [ -0.0000264100000000, 0.0006664800000000, -0.0005470700000000 ] - [ -0.0000953600000000, -0.0006256300000000, 0.0003106400000000 ] - [ 0.0001830000000000, -0.0005805100000000, -0.0000921100000000 ] - [ 0.0011439300000000, -0.0002991100000000, 0.0021061000000000 ] - [ -0.0007631000000000, 0.0006365400000000, 0.0006952200000000 ] - [ 0.0003044500000000, 0.0011391300000000, -0.0004871100000000 ] - [ -0.0002609000000000, 0.0006882200000000, -0.0000831100000000 ] - [ -0.0006772000000000, -0.0001931500000000, 0.0002867600000000 ] - [ -0.0004670100000000, -0.0002205600000000, -0.0001667200000000 ] - [ 0.0000568400000000, -0.0001754200000000, 0.0002895100000000 ] - [ -0.0001272700000000, -0.0004033100000000, -0.0002258900000000 ] - [ -0.0012221400000000, -0.0002965900000000, -0.0001161700000000 ] - [ -0.0001445000000000, -0.0007602100000000, -0.0007089000000000 ] - [ -0.0044761500000000, -0.0033296200000000, 0.0011070600000000 ] - [ -0.0046507400000000, 0.0020983200000000, 0.0004076700000000 ] - [ -0.0001236500000000, 0.0006415200000000, -0.0001234600000000 ] - [ 0.0000181800000000, 0.0005578600000000, 0.0002867700000000 ] - [ 0.0000307300000000, -0.0004838700000000, 0.0002991800000000 ] - [ 0.0000331100000000, -0.0004691300000000, 0.0004619000000000 ] - [ 0.0005463400000000, -0.0003034900000000, -0.0004792100000000 ] - [ -0.0001934600000000, -0.0002340500000000, -0.0005638500000000 ] - [ -0.0000334800000000, -0.0001178100000000, 0.0002051100000000 ] - [ -0.0000677500000000, -0.0000831500000000, 0.0005498900000000 ] - [ 0.0006428300000000, -0.0014510500000000, 0.0001334300000000 ] - [ -0.0004617600000000, 0.0009484300000000, 0.0005159400000000 ] - [ -0.0004191900000000, 0.0000350800000000, -0.0007898000000000 ] - [ 0.0011496600000000, -0.0003243500000000, -0.0021075700000000 ] - [ 0.0013924500000000, 0.0008029100000000, 0.0009664500000000 ] - [ -0.0006367600000000, 0.0001153000000000, -0.0003182800000000 ] - [ -0.0004651900000000, -0.0001475600000000, -0.0002390300000000 ] - [ -0.0006523100000000, -0.0000951400000000, -0.0002273100000000 ] - [ -0.0002345600000000, -0.0005669600000000, 0.0007447400000000 ] - [ -0.0002644500000000, -0.0004801500000000, 0.0002494100000000 ] - [ 0.0004627900000000, 0.0011647700000000, -0.0015954400000000 ] - [ 0.0001682600000000, 0.0005073300000000, -0.0004367600000000 ] - [ 0.0010873600000000, 0.0015468100000000, -0.0000370800000000 ] - [ -0.0013674600000000, 0.0002010300000000, 0.0009063500000000 ] - [ 0.0006504100000000, 0.0001124700000000, -0.0002834400000000 ] - [ 0.0004902900000000, 0.0001609000000000, 0.0000679900000000 ] - [ -0.0016117200000000, -0.0033352300000000, 0.0007389900000000 ] - [ -0.0027777600000000, 0.0019026100000000, -0.0035107800000000 ] - [ -0.0006547100000000, 0.0001041200000000, -0.0001145000000000 ] - [ -0.0001183600000000, 0.0005674800000000, 0.0010421100000000 ] - [ 0.0002700400000000, -0.0000235100000000, 0.0006095400000000 ] - [ -0.0002482800000000, -0.0002499300000000, 0.0006065100000000 ] - [ 0.0003054400000000, 0.0024065500000000, -0.0013801800000000 ] - [ -0.0016359800000000, -0.0002887600000000, -0.0001270700000000 ] - [ 0.0001043500000000, -0.0000728800000000, -0.0002054300000000 ] - [ 0.0007090700000000, -0.0003183500000000, -0.0001559800000000 ] - [ 0.0006133800000000, 0.0000484300000000, 0.0002828500000000 ] - [ 0.0002301200000000, 0.0000150000000000, -0.0002765600000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011466100000000, 0.0013756000000000, 0.0010290300000000 ] - [ -0.0003124200000000, 0.0001853100000000, 0.0000932000000000 ] - [ 0.0000319700000000, -0.0000406000000000, 0.0001028400000000 ] - [ 0.0005368500000000, 0.0002408400000000, -0.0002180500000000 ] - [ -0.0002481400000000, 0.0006740200000000, 0.0007608100000000 ] - [ -0.0002368000000000, 0.0006515900000000, 0.0002885500000000 ] - [ -0.0003074900000000, 0.0012814400000000, 0.0000350000000000 ] - [ 0.0054937100000000, -0.0007425100000000, 0.0103567700000000 ] - [ 0.0010330500000000, -0.0005797200000000, 0.0005297100000000 ] - [ 0.0081327000000000, 0.0078372900000000, 0.0006370000000000 ] - [ -0.0003709300000000, 0.0011742000000000, 0.0005288400000000 ] - [ 0.0043746900000000, 0.0031949100000000, -0.0102241200000000 ] - [ 0.0002487300000000, -0.0004838100000000, -0.0005949400000000 ] - [ 0.0002390800000000, -0.0004564500000000, -0.0001068800000000 ] - [ -0.0089802000000000, -0.0101557000000000, -0.0011975800000000 ] - [ 0.0014548300000000, -0.0006212100000000, -0.0006721000000000 ] - [ -0.0000050900000000, -0.0009705900000000, 0.0009986100000000 ] - [ -0.0005221100000000, -0.0012152100000000, 0.0012083900000000 ] - [ -0.0001002900000000, -0.0014699200000000, -0.0005006200000000 ] - [ 0.0002441600000000, -0.0010932300000000, -0.0003733500000000 ] - [ 0.0001692600000000, 0.0005556300000000, -0.0001338600000000 ] - [ -0.0001840200000000, 0.0001155400000000, -0.0004219000000000 ] - [ 0.0016763400000000, 0.0050754000000000, -0.0033993900000000 ] - [ 0.0002751700000000, 0.0007769500000000, -0.0002510900000000 ] - [ -0.0001253900000000, 0.0011147200000000, 0.0003200700000000 ] - [ -0.0000282100000000, 0.0007271300000000, 0.0001423200000000 ] - [ 0.0003823400000000, -0.0003831200000000, -0.0000214800000000 ] - [ 0.0001685100000000, -0.0002693100000000, -0.0001062200000000 ] - [ -0.0001516500000000, 0.0000976700000000, -0.0000930500000000 ] - [ -0.0000550600000000, 0.0000590000000000, 0.0000575500000000 ] - [ -0.0003498500000000, -0.0011488200000000, 0.0001651900000000 ] - [ -0.0000343100000000, -0.0000000800000000, -0.0000254100000000 ] - [ 0.0000562100000000, -0.0013082900000000, -0.0001624400000000 ] - [ -0.0001120000000000, -0.0016254800000000, -0.0001884600000000 ] - [ 0.0000545900000000, 0.0007638100000000, 0.0001371600000000 ] - [ -0.0000756700000000, 0.0008329200000000, -0.0000253800000000 ] - [ 0.0000428100000000, -0.0007649400000000, -0.0001058000000000 ] - [ -0.0002267700000000, -0.0019082600000000, -0.0003079300000000 ] - [ 0.0002595000000000, -0.0003237300000000, -0.0001130900000000 ] - [ 0.0001636800000000, 0.0000746900000000, 0.0000409300000000 ] - [ -0.0001148400000000, -0.0002209000000000, 0.0010616600000000 ] - [ -0.0032774000000000, 0.0066713700000000, -0.0019349300000000 ] - [ 0.0000010200000000, 0.0000981700000000, -0.0008791200000000 ] - [ -0.0001576300000000, -0.0000889900000000, -0.0013694700000000 ] - [ -0.1640889300000000, 0.6022648600000000, -0.0866325100000000 ] - [ -0.0001980900000000, 0.0008808700000000, -0.0001517300000000 ] - [ -0.0019991900000000, 0.0039837000000000, -0.0026690100000000 ] - [ 0.0002038500000000, -0.0009385700000000, -0.0004231500000000 ] - [ -0.0007210200000000, -0.0000102000000000, 0.0007644900000000 ] - [ 0.0000504900000000, -0.0005918300000000, -0.0007932700000000 ] - [ 0.0001916800000000, -0.0001713800000000, -0.0003879100000000 ] - [ 0.0004202300000000, -0.0005315700000000, -0.0000936500000000 ] - [ 0.0006750600000000, 0.0016018600000000, 0.0001466600000000 ] - [ 0.0008885600000000, 0.0014334900000000, 0.0002809100000000 ] - [ 0.0008220700000000, 0.0012217100000000, -0.0012235000000000 ] - [ 0.0000051600000000, -0.0002595400000000, 0.0029526700000000 ] - [ -0.0005798900000000, -0.0000605700000000, -0.0002635300000000 ] - [ -0.0005713400000000, -0.0000676100000000, -0.0002928900000000 ] - [ 0.0004327600000000, 0.0000402200000000, 0.0005251600000000 ] - [ 0.0004486700000000, 0.0000376000000000, 0.0005211000000000 ] - [ -0.0000244800000000, 0.0000241400000000, -0.0000422500000000 ] - [ -0.0000336300000000, 0.0000084500000000, -0.0000576900000000 ] - [ -0.0002701100000000, -0.0006090300000000, 0.0003724800000000 ] - [ 0.0002365400000000, 0.0012080400000000, 0.0009648100000000 ] - [ -0.0001462300000000, -0.0005337500000000, -0.0001115900000000 ] - [ -0.0001498600000000, -0.0005802000000000, -0.0000904900000000 ] - [ 0.0001505200000000, -0.0003606000000000, 0.0007806900000000 ] - [ -0.0001492800000000, 0.0000804700000000, 0.0003985200000000 ] - [ -0.0002835400000000, -0.0005009400000000, 0.0003537600000000 ] - [ -0.0001693600000000, -0.0003806000000000, 0.0007223100000000 ] - [ -0.0017326900000000, 0.0042885400000000, -0.0055795500000000 ] - [ 0.0002286300000000, 0.0054307300000000, -0.0063661700000000 ] - [ 0.0001142800000000, -0.0000587300000000, -0.0006143500000000 ] - [ 0.0000451600000000, -0.0000197400000000, -0.0005477800000000 ] - [ -0.0016706100000000, -0.0002017300000000, -0.0003347900000000 ] - [ -0.0002412600000000, -0.0005658800000000, -0.0020713700000000 ] - [ 0.1841879400000000, -0.7008827500000000, 0.1052041100000000 ] - [ -0.0002061500000000, -0.0014502100000000, -0.0002256300000000 ] - [ 0.0005378300000000, 0.0003559900000000, 0.0002462400000000 ] - [ 0.0005452600000000, 0.0004265100000000, 0.0002509000000000 ] - [ -0.0001030200000000, -0.0001204400000000, 0.0006356300000000 ] - [ -0.0303865900000000, 0.0844319600000000, -0.0153456600000000 ] - [ -0.0003394100000000, -0.0013768600000000, -0.0003940500000000 ] - [ 0.0015071700000000, -0.0012868800000000, -0.0013314000000000 ] - [ 0.0000949700000000, 0.0009056700000000, -0.0003795000000000 ] - [ 0.0000880900000000, 0.0009631000000000, -0.0003804800000000 ] - [ 0.0000014600000000, -0.0003741200000000, 0.0002217200000000 ] - [ 0.0001108300000000, 0.0001197800000000, -0.0001269300000000 ] - [ 0.0020248300000000, -0.0002510000000000, 0.0039730300000000 ] - [ -0.0004869100000000, 0.0009602000000000, 0.0006370700000000 ] - [ -0.0000371200000000, 0.0012845200000000, -0.0006959200000000 ] - [ -0.0000764100000000, 0.0008785100000000, -0.0003278800000000 ] - [ -0.0005119700000000, -0.0002970500000000, 0.0000048700000000 ] - [ -0.0005109600000000, -0.0003366200000000, 0.0000596400000000 ] - [ 0.0000036300000000, -0.0000358500000000, 0.0004656900000000 ] - [ 0.0001761900000000, -0.0003474100000000, 0.0001918300000000 ] - [ -0.0011598000000000, -0.0009691300000000, -0.0001113700000000 ] - [ 0.0012765700000000, -0.0052057500000000, 0.0005297600000000 ] - [ -0.0005667400000000, -0.0042328400000000, 0.0031907600000000 ] - [ 0.0029612700000000, -0.0061825600000000, 0.0019898500000000 ] - [ -0.0000090000000000, 0.0008141600000000, 0.0000004700000000 ] - [ -0.0001292300000000, 0.0012067300000000, 0.0001983500000000 ] - [ 0.0000970300000000, -0.0001665500000000, 0.0003459200000000 ] - [ 0.0001115100000000, -0.0002245000000000, 0.0003868800000000 ] - [ 0.0006882700000000, 0.0003310200000000, -0.0011654800000000 ] - [ -0.0011602000000000, -0.0000176100000000, -0.0004936000000000 ] - [ -0.0000788700000000, -0.0001526900000000, 0.0002741600000000 ] - [ -0.0000185000000000, -0.0001842500000000, 0.0002434400000000 ] - [ 0.0010283100000000, -0.0025502100000000, 0.0010449600000000 ] - [ -0.0010969700000000, 0.0005488200000000, 0.0003910600000000 ] - [ -0.0000152600000000, -0.0003000400000000, -0.0005478600000000 ] - [ 0.0031309900000000, -0.0020465700000000, 0.0044272800000000 ] - [ 0.0008789400000000, -0.0012724000000000, -0.0010427300000000 ] - [ -0.0002981400000000, -0.0002893600000000, -0.0001857700000000 ] - [ -0.0005896200000000, 0.0000643500000000, -0.0002482500000000 ] - [ -0.0005977500000000, 0.0000074600000000, -0.0002284200000000 ] - [ -0.0000462600000000, -0.0004563700000000, 0.0005826500000000 ] - [ -0.0000974800000000, 0.0000438800000000, -0.0004024100000000 ] - [ 0.0002916500000000, 0.0009250500000000, -0.0017056900000000 ] - [ 0.0004352100000000, 0.0005220400000000, -0.0006891400000000 ] - [ -0.0032109800000000, 0.0052683400000000, 0.0008328200000000 ] - [ -0.0003534400000000, 0.0006878300000000, -0.0010847900000000 ] - [ 0.0006184900000000, 0.0000299100000000, -0.0001471700000000 ] - [ 0.0006114400000000, 0.0000648500000000, -0.0001603400000000 ] - [ 0.0020149400000000, -0.0033599900000000, 0.0009529900000000 ] - [ -0.0042311300000000, -0.0038983800000000, 0.0021749900000000 ] - [ -0.0004255300000000, -0.0000914200000000, 0.0000542000000000 ] - [ -0.0004119500000000, 0.0002845400000000, 0.0008186800000000 ] - [ 0.0012143600000000, 0.0006617300000000, 0.0004188200000000 ] - [ -0.0014061800000000, 0.0037603600000000, 0.0011097600000000 ] - [ -0.0017571600000000, 0.0031388800000000, 0.0006370700000000 ] - [ 0.0029000900000000, 0.0005021800000000, -0.0004809200000000 ] - [ 0.0005547800000000, 0.0003450900000000, -0.0005885600000000 ] - [ -0.0005457900000000, 0.0044340200000000, 0.0003582500000000 ] - [ 0.0003661800000000, 0.0005445800000000, 0.0006925000000000 ] - [ 0.0003125800000000, 0.0000781800000000, -0.0001596700000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011676200000000, -0.0030349500000000, -0.0006706000000000 ] - [ 0.0002354400000000, -0.0018270700000000, 0.0001606700000000 ] - [ 0.0005183600000000, 0.0011928400000000, -0.0012611000000000 ] - [ 0.0000167500000000, 0.0009128900000000, -0.0009395900000000 ] - [ -0.0002370900000000, 0.0004561600000000, 0.0001341200000000 ] - [ -0.0002479100000000, 0.0004791200000000, 0.0006009400000000 ] - [ 0.0003916300000000, 0.0003694900000000, -0.0002967500000000 ] - [ -0.0053771600000000, 0.0023887400000000, -0.0105390000000000 ] - [ -0.0015054000000000, -0.0005664500000000, 0.0003613800000000 ] - [ -0.0092012300000000, -0.0094726900000000, 0.0002386900000000 ] - [ -0.0001728500000000, -0.0000038600000000, 0.0006413000000000 ] - [ -0.0049275800000000, -0.0019714500000000, 0.0113357400000000 ] - [ 0.0002358900000000, -0.0006453800000000, -0.0003003400000000 ] - [ 0.0002459000000000, -0.0006724600000000, -0.0007816300000000 ] - [ 0.0093729400000000, 0.0112286400000000, 0.0002952700000000 ] - [ -0.0009519200000000, 0.0017583200000000, -0.0002206100000000 ] - [ -0.0005430500000000, -0.0001894200000000, 0.0001672500000000 ] - [ -0.0000338700000000, 0.0000536400000000, -0.0000435400000000 ] - [ 0.0001763100000000, -0.0001701700000000, 0.0002480200000000 ] - [ -0.0001631700000000, -0.0005448300000000, 0.0001180100000000 ] - [ -0.0002445900000000, 0.0010779900000000, 0.0003817400000000 ] - [ 0.0001019800000000, 0.0015149100000000, 0.0006729900000000 ] - [ -0.0011029900000000, -0.0062338100000000, 0.0021770500000000 ] - [ 0.0002789700000000, -0.0019325400000000, -0.0009118700000000 ] - [ -0.0001552100000000, -0.0000431400000000, -0.0000329500000000 ] - [ -0.0002496900000000, 0.0003427200000000, 0.0001435100000000 ] - [ -0.0001029200000000, 0.0014452400000000, -0.0002656200000000 ] - [ 0.0001145600000000, 0.0013352000000000, -0.0001873300000000 ] - [ 0.0000701700000000, -0.0008263800000000, -0.0000002400000000 ] - [ -0.0000251100000000, -0.0007887000000000, -0.0001480100000000 ] - [ 0.0002629000000000, 0.0018747200000000, -0.0002619100000000 ] - [ -0.0000433800000000, 0.0007312100000000, -0.0000668500000000 ] - [ -0.0003355800000000, 0.0002327900000000, 0.0004489800000000 ] - [ -0.0001633900000000, 0.0005513900000000, 0.0004791600000000 ] - [ 0.0000251800000000, -0.0000293200000000, -0.0000453800000000 ] - [ 0.0001561100000000, -0.0000954000000000, 0.0001150600000000 ] - [ 0.0000421200000000, 0.0000276800000000, 0.0002018000000000 ] - [ 0.0003021600000000, 0.0011631200000000, 0.0004053100000000 ] - [ 0.0000216300000000, -0.0007423800000000, -0.0001725000000000 ] - [ 0.0001134100000000, -0.0011368900000000, -0.0003242900000000 ] - [ -0.0000870000000000, 0.0007350200000000, 0.0005278300000000 ] - [ 0.0030560300000000, -0.0061079500000000, 0.0034964500000000 ] - [ 0.0002029100000000, 0.0004289400000000, -0.0007026600000000 ] - [ 0.0003619700000000, 0.0006164500000000, -0.0002150200000000 ] - [ 0.1494255400000000, -0.5618417600000000, 0.0791243600000000 ] - [ 0.0001975300000000, -0.0008803400000000, 0.0001512200000000 ] - [ 0.0021837100000000, -0.0044688100000000, 0.0010701400000000 ] - [ 0.0000011400000000, 0.0004038500000000, -0.0011559100000000 ] - [ -0.0002886900000000, 0.0001164500000000, -0.0015682800000000 ] - [ -0.0010476800000000, 0.0006899800000000, -0.0000254400000000 ] - [ 0.0002208900000000, -0.0002306500000000, -0.0003417600000000 ] - [ -0.0000056300000000, 0.0001305300000000, -0.0006309200000000 ] - [ -0.0002610200000000, -0.0011930200000000, -0.0008724900000000 ] - [ -0.0004855300000000, -0.0010633300000000, -0.0010290600000000 ] - [ 0.0002068700000000, -0.0013486600000000, 0.0020193400000000 ] - [ 0.0010043800000000, 0.0001550500000000, -0.0021512500000000 ] - [ -0.0004298700000000, -0.0000459500000000, -0.0005458200000000 ] - [ -0.0004367200000000, -0.0000396600000000, -0.0005188700000000 ] - [ 0.0005763100000000, 0.0000659200000000, 0.0002842200000000 ] - [ 0.0005583200000000, 0.0000693400000000, 0.0002923400000000 ] - [ 0.0000243600000000, -0.0000233600000000, 0.0000427200000000 ] - [ 0.0000338000000000, -0.0000073900000000, 0.0000583000000000 ] - [ -0.0001378900000000, 0.0002168100000000, 0.0003659900000000 ] - [ -0.0006424900000000, -0.0015878900000000, -0.0002267800000000 ] - [ 0.0001448800000000, 0.0005288800000000, 0.0001107200000000 ] - [ 0.0001491200000000, 0.0005779800000000, 0.0000898600000000 ] - [ -0.0005607200000000, 0.0007565600000000, -0.0000486800000000 ] - [ -0.0002614000000000, 0.0003164600000000, 0.0003323300000000 ] - [ 0.0000809900000000, -0.0000222400000000, 0.0012262800000000 ] - [ -0.0000370500000000, -0.0001502700000000, 0.0008581700000000 ] - [ 0.0017481100000000, -0.0042917300000000, 0.0055742700000000 ] - [ -0.0002287400000000, -0.0053497900000000, 0.0062804700000000 ] - [ 0.0000148000000000, 0.0001864900000000, -0.0002341000000000 ] - [ 0.0000848600000000, 0.0001474100000000, -0.0003035900000000 ] - [ 0.0008761500000000, 0.0002560700000000, 0.0005480500000000 ] - [ -0.0005353300000000, 0.0006337900000000, 0.0023001600000000 ] - [ -0.1683523200000000, 0.6587327400000000, -0.0980940600000000 ] - [ 0.0001803700000000, 0.0003146100000000, -0.0005371400000000 ] - [ 0.0006053900000000, -0.0000004800000000, 0.0002398400000000 ] - [ 0.0006006600000000, -0.0000693900000000, 0.0002354400000000 ] - [ 0.0001148700000000, 0.0012505900000000, 0.0001290900000000 ] - [ 0.0297180100000000, -0.0821230300000000, 0.0157380200000000 ] - [ 0.0002283100000000, 0.0002625900000000, 0.0002990200000000 ] - [ -0.0015947100000000, 0.0001674000000000, 0.0012298800000000 ] - [ -0.0001157700000000, 0.0002321600000000, -0.0003844800000000 ] - [ -0.0001081900000000, 0.0001771700000000, -0.0003847100000000 ] - [ 0.0000948300000000, -0.0009486800000000, 0.0002851500000000 ] - [ -0.0000102700000000, -0.0014364800000000, 0.0006275100000000 ] - [ -0.0024958300000000, 0.0012804400000000, -0.0026681000000000 ] - [ -0.0000085200000000, 0.0000837700000000, 0.0006424200000000 ] - [ -0.0000615300000000, 0.0000409300000000, 0.0001824600000000 ] - [ -0.0000223200000000, 0.0004484700000000, -0.0001774500000000 ] - [ -0.0006122700000000, -0.0000614100000000, 0.0001650200000000 ] - [ -0.0006116000000000, -0.0000224500000000, 0.0001072700000000 ] - [ 0.0001001600000000, -0.0010603800000000, -0.0003695200000000 ] - [ -0.0000750900000000, -0.0007513700000000, -0.0001023000000000 ] - [ 0.0010410000000000, -0.0003520800000000, -0.0003923800000000 ] - [ -0.0013716600000000, 0.0038603500000000, -0.0010339400000000 ] - [ 0.0016798600000000, 0.0038701400000000, -0.0026955300000000 ] - [ -0.0017394400000000, 0.0057719100000000, -0.0014822100000000 ] - [ -0.0000945000000000, 0.0002911100000000, -0.0000925000000000 ] - [ 0.0000269500000000, -0.0001017100000000, -0.0002850900000000 ] - [ -0.0000757900000000, -0.0009664200000000, 0.0004176200000000 ] - [ -0.0000897100000000, -0.0009094300000000, 0.0003781900000000 ] - [ 0.0000962100000000, -0.0003919600000000, 0.0009349300000000 ] - [ 0.0019238000000000, -0.0000398600000000, 0.0002716800000000 ] - [ -0.0000515900000000, 0.0000234000000000, 0.0005731600000000 ] - [ -0.0001097500000000, 0.0000547400000000, 0.0006040600000000 ] - [ -0.0009224000000000, 0.0038421000000000, -0.0005386800000000 ] - [ 0.0011862700000000, 0.0007725500000000, 0.0001160000000000 ] - [ 0.0005004600000000, -0.0007341200000000, -0.0007340600000000 ] - [ -0.0026148600000000, 0.0010060700000000, -0.0056873200000000 ] - [ -0.0007537400000000, 0.0023920300000000, 0.0011281800000000 ] - [ 0.0003971300000000, 0.0013864100000000, 0.0002725900000000 ] - [ -0.0005548200000000, -0.0004167100000000, -0.0002368000000000 ] - [ -0.0005465000000000, -0.0003593000000000, -0.0002562200000000 ] - [ -0.0004422600000000, -0.0005852100000000, 0.0006972400000000 ] - [ -0.0003923600000000, -0.0010819600000000, 0.0016677000000000 ] - [ 0.0001983100000000, 0.0001165900000000, 0.0004245400000000 ] - [ 0.0000555400000000, 0.0005196300000000, -0.0005896600000000 ] - [ 0.0020933600000000, -0.0049118500000000, -0.0006488200000000 ] - [ -0.0007768100000000, -0.0003281100000000, 0.0012581300000000 ] - [ 0.0005054500000000, 0.0003267800000000, -0.0000228900000000 ] - [ 0.0005111500000000, 0.0002927100000000, -0.0000057500000000 ] - [ -0.0031935500000000, 0.0036787800000000, -0.0014438000000000 ] - [ 0.0030588800000000, 0.0042001500000000, -0.0026160600000000 ] - [ -0.0003586000000000, 0.0000378600000000, 0.0001624800000000 ] - [ -0.0003687900000000, -0.0003328300000000, -0.0005912100000000 ] - [ -0.0013318300000000, -0.0005339500000000, 0.0004301500000000 ] - [ 0.0012639300000000, -0.0036220800000000, -0.0002399000000000 ] - [ 0.0019054800000000, -0.0032716700000000, -0.0015054900000000 ] - [ -0.0027864500000000, -0.0006261500000000, -0.0003696100000000 ] - [ 0.0005652000000000, -0.0007022100000000, 0.0004197300000000 ] - [ 0.0016686900000000, -0.0047693000000000, -0.0005309700000000 ] - [ 0.0004178100000000, -0.0004864700000000, -0.0009012000000000 ] - [ 0.0004682100000000, -0.0000258400000000, -0.0000591100000000 ]- atom: 77 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0009546500000000, -0.0020053900000000, 0.0086826700000000 ] - [ 0.0008778300000000, -0.0008449900000000, 0.0001522600000000 ] - [ 0.0005605900000000, 0.0010682000000000, -0.0018690300000000 ] - [ -0.0000868300000000, 0.0008487600000000, -0.0012290100000000 ] - [ -0.0002717000000000, 0.0005129300000000, -0.0002919200000000 ] - [ -0.0000727400000000, 0.0005756400000000, -0.0004602800000000 ] - [ 0.0008808000000000, 0.0013468700000000, -0.0000746900000000 ] - [ -0.0010433500000000, 0.0017428200000000, -0.0000172300000000 ] - [ 0.0003683600000000, -0.0008497500000000, 0.0015799100000000 ] - [ -0.0047925000000000, -0.0040484700000000, 0.0039010800000000 ] - [ -0.0002347300000000, 0.0005008300000000, 0.0014185300000000 ] - [ 0.0020231900000000, -0.0041418400000000, -0.0007012800000000 ] - [ 0.0004280400000000, -0.0005871500000000, -0.0008755200000000 ] - [ 0.0001055900000000, -0.0005636300000000, -0.0007933800000000 ] - [ 0.0001043800000000, 0.0012514700000000, 0.0000529600000000 ] - [ 0.0005560500000000, 0.0003374200000000, -0.0002574900000000 ] - [ -0.0002788200000000, -0.0006219100000000, 0.0002642200000000 ] - [ -0.0003182000000000, -0.0007250900000000, -0.0001983600000000 ] - [ -0.0000479800000000, -0.0006480900000000, -0.0006645200000000 ] - [ 0.0001407100000000, -0.0007258700000000, -0.0005556000000000 ] - [ 0.0004910600000000, 0.0006403500000000, -0.0007738600000000 ] - [ -0.0005224900000000, 0.0004433500000000, -0.0007568800000000 ] - [ -0.0024734700000000, 0.0005699200000000, 0.0070124700000000 ] - [ 0.0005380900000000, -0.0002122900000000, 0.0003673100000000 ] - [ -0.0001756900000000, 0.0001779800000000, -0.0004990300000000 ] - [ -0.0001654500000000, 0.0004539200000000, -0.0000695300000000 ] - [ -0.0000265600000000, 0.0008703000000000, 0.0001175300000000 ] - [ 0.0003321000000000, 0.0008598300000000, -0.0000578600000000 ] - [ 0.0002091100000000, -0.0000362900000000, -0.0007141300000000 ] - [ -0.0002011300000000, -0.0002452700000000, -0.0002591700000000 ] - [ -0.0001076900000000, 0.0008235000000000, 0.0001607700000000 ] - [ -0.0000080500000000, 0.0005273200000000, 0.0000623500000000 ] - [ 0.0001114600000000, -0.0007786300000000, 0.0002391800000000 ] - [ -0.0003165000000000, -0.0007394700000000, 0.0004499600000000 ] - [ -0.0001986800000000, 0.0001546500000000, -0.0003044400000000 ] - [ 0.0003383500000000, 0.0001028400000000, -0.0003638800000000 ] - [ 0.0002513400000000, -0.0004916900000000, 0.0001928500000000 ] - [ -0.0002265000000000, -0.0008909700000000, 0.0001723600000000 ] - [ 0.0003071300000000, -0.0004307600000000, -0.0004146100000000 ] - [ -0.0000731600000000, -0.0002801000000000, -0.0005683600000000 ] - [ 0.0005402900000000, -0.0019314400000000, 0.0019493300000000 ] - [ -0.0011556600000000, 0.0031591000000000, -0.0004063900000000 ] - [ 0.0000254400000000, 0.0001812100000000, -0.0007735600000000 ] - [ -0.0000479500000000, -0.0000369000000000, -0.0009534100000000 ] - [ -0.0091765100000000, -0.0241259200000000, 0.0590963000000000 ] - [ 0.0002424900000000, -0.0005365300000000, -0.0000944800000000 ] - [ 0.0010917600000000, -0.0021287200000000, 0.0000491100000000 ] - [ 0.0002310100000000, -0.0004846000000000, -0.0006437200000000 ] - [ -0.0007672000000000, -0.0000375900000000, 0.0000793800000000 ] - [ -0.0006024900000000, 0.0000750100000000, -0.0003044200000000 ] - [ 0.0001437000000000, -0.0001051600000000, -0.0004020200000000 ] - [ 0.0006407000000000, -0.0008090200000000, 0.0003520300000000 ] - [ -0.0000423000000000, -0.0010422300000000, -0.0008252800000000 ] - [ 0.0016072700000000, 0.0031788400000000, 0.0008594700000000 ] - [ -0.0028341100000000, -0.0007650000000000, 0.0069447700000000 ] - [ 0.0004015800000000, -0.0000429900000000, 0.0002846200000000 ] - [ -0.0002179900000000, -0.0001487500000000, -0.0009390800000000 ] - [ -0.0001508600000000, -0.0001874700000000, -0.0010643900000000 ] - [ 0.0010024000000000, -0.0001439400000000, -0.0005537400000000 ] - [ 0.0008571300000000, -0.0000775600000000, -0.0002062400000000 ] - [ -0.0002335200000000, -0.0005202600000000, -0.0004664300000000 ] - [ -0.0002433800000000, -0.0005696000000000, -0.0005408000000000 ] - [ 0.0005361500000000, 0.0008910700000000, 0.0010535500000000 ] - [ -0.0000395800000000, 0.0001596300000000, 0.0005700200000000 ] - [ -0.0000077600000000, -0.0000486400000000, 0.0001088200000000 ] - [ -0.0000114100000000, -0.0001132400000000, 0.0000979000000000 ] - [ -0.0003228400000000, 0.0003235100000000, 0.0003657100000000 ] - [ -0.0002936900000000, 0.0003742400000000, 0.0002849500000000 ] - [ 0.0000324100000000, -0.0000877200000000, 0.0012777700000000 ] - [ -0.0001515200000000, -0.0003246300000000, 0.0008388100000000 ] - [ 0.0013926400000000, -0.0034717400000000, 0.0034737300000000 ] - [ 0.0010945200000000, -0.0029570800000000, 0.0037064900000000 ] - [ -0.0002253100000000, 0.0002553200000000, 0.0005075600000000 ] - [ 0.0000031100000000, 0.0001774200000000, 0.0001281700000000 ] - [ 0.0012330200000000, -0.0000532400000000, -0.0000214000000000 ] - [ -0.0011043100000000, -0.0014429000000000, -0.0003618500000000 ] - [ 0.0103653600000000, 0.0357194500000000, -0.0538475100000000 ] - [ -0.0004867900000000, -0.0003509200000000, -0.0007559000000000 ] - [ 0.0005514900000000, 0.0004484100000000, 0.0007709500000000 ] - [ 0.0007077000000000, 0.0005362100000000, 0.0008788100000000 ] - [ -0.0006158800000000, 0.0008429000000000, 0.0001655500000000 ] - [ 0.0075975300000000, -0.0036947600000000, -0.0260886500000000 ] - [ -0.0003255200000000, -0.0007816700000000, -0.0001612800000000 ] - [ 0.0001841000000000, -0.0023352300000000, 0.0003514200000000 ] - [ -0.0001413800000000, 0.0005979400000000, 0.0000578300000000 ] - [ 0.0001387100000000, 0.0005971700000000, 0.0000041100000000 ] - [ -0.0001131800000000, -0.0005733600000000, 0.0003634200000000 ] - [ 0.0002504500000000, -0.0003849900000000, 0.0003357300000000 ] - [ -0.0008684100000000, 0.0013055800000000, -0.0004667000000000 ] - [ -0.0004197800000000, 0.0006380300000000, 0.0004992000000000 ] - [ -0.0000061500000000, 0.0001807600000000, 0.0001152800000000 ] - [ -0.0000619500000000, 0.0005635700000000, -0.0000973200000000 ] - [ -0.0009648600000000, -0.0001382500000000, 0.0009691300000000 ] - [ -0.0005747100000000, -0.0001816000000000, 0.0007100500000000 ] - [ -0.0001415900000000, 0.0000540100000000, 0.0004946000000000 ] - [ 0.0002425800000000, -0.0005047100000000, 0.0001005300000000 ] - [ -0.0026107600000000, -0.0001540700000000, -0.0001238200000000 ] - [ 0.0007136100000000, -0.0020956100000000, 0.0001854400000000 ] - [ 0.0005370100000000, 0.0013138300000000, -0.0030375700000000 ] - [ -0.0034261500000000, 0.0019444100000000, -0.0013988800000000 ] - [ 0.0000892500000000, 0.0003953600000000, 0.0000001500000000 ] - [ -0.0001813900000000, 0.0004035800000000, 0.0000417800000000 ] - [ 0.0000953400000000, -0.0005032800000000, 0.0005627600000000 ] - [ -0.0000567700000000, -0.0005373700000000, 0.0006207800000000 ] - [ -0.0000840500000000, -0.0007932500000000, -0.0005659300000000 ] - [ 0.0002245700000000, -0.0001864000000000, -0.0003789100000000 ] - [ -0.0002304000000000, 0.0000095700000000, 0.0008691000000000 ] - [ -0.0001771400000000, -0.0000227700000000, 0.0010488200000000 ] - [ 0.0002643300000000, 0.0024636000000000, 0.0003825300000000 ] - [ 0.0000144600000000, 0.0010191400000000, 0.0002925400000000 ] - [ -0.0004036200000000, 0.0006696800000000, -0.0013455700000000 ] - [ 0.0029862600000000, -0.0001611200000000, 0.0009983400000000 ] - [ -0.0022306900000000, -0.0009301600000000, 0.0021610200000000 ] - [ 0.0001523800000000, 0.0011947900000000, 0.0002168000000000 ] - [ -0.0004962000000000, -0.0000514900000000, 0.0003349000000000 ] - [ -0.0004116600000000, 0.0001047500000000, 0.0003388300000000 ] - [ -0.0003287700000000, -0.0005222600000000, 0.0009170700000000 ] - [ -0.0000209600000000, -0.0003565600000000, 0.0008258300000000 ] - [ 0.0002364400000000, 0.0000106600000000, 0.0005748800000000 ] - [ 0.0000076000000000, 0.0005486500000000, -0.0002331800000000 ] - [ 0.0015211800000000, -0.0016387000000000, -0.0035657500000000 ] - [ -0.0007040000000000, 0.0000911900000000, -0.0001346200000000 ] - [ 0.0005153300000000, 0.0002597800000000, 0.0004379900000000 ] - [ 0.0003190600000000, 0.0002315100000000, 0.0004801700000000 ] - [ -0.0033445100000000, -0.0005978500000000, -0.0029387900000000 ] - [ -0.0015443900000000, 0.0022821300000000, -0.0033534200000000 ] - [ -0.0004754800000000, -0.0000875200000000, 0.0003879900000000 ] - [ -0.0002681300000000, 0.0009044900000000, 0.0017117400000000 ] - [ -0.0000168100000000, 0.0000104000000000, -0.0000665100000000 ] - [ 0.0002008300000000, -0.0002441400000000, -0.0001186600000000 ] - [ 0.0006916900000000, 0.0026705000000000, -0.0042498400000000 ] - [ -0.0005584700000000, -0.0000393700000000, -0.0008774500000000 ] - [ 0.0004514900000000, -0.0001190400000000, -0.0006221200000000 ] - [ 0.0009576900000000, -0.0005360600000000, -0.0005252000000000 ] - [ 0.0003804300000000, 0.0000348400000000, 0.0001479300000000 ] - [ 0.0005098500000000, -0.0000481500000000, 0.0000719300000000 ]- atom: 77 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0008669000000000, 0.0003046400000000, -0.0081800500000000 ] - [ -0.0009595600000000, -0.0007948800000000, 0.0001143500000000 ] - [ -0.0000067400000000, 0.0000932400000000, 0.0007028700000000 ] - [ 0.0006364500000000, 0.0003096000000000, 0.0000632700000000 ] - [ -0.0002151700000000, 0.0006177800000000, 0.0011788400000000 ] - [ -0.0004126100000000, 0.0005551800000000, 0.0013570600000000 ] - [ -0.0008056100000000, 0.0002790300000000, -0.0001871400000000 ] - [ 0.0010880200000000, -0.0001027200000000, -0.0003269600000000 ] - [ -0.0008612000000000, -0.0002767300000000, -0.0006939400000000 ] - [ 0.0043277000000000, 0.0029378900000000, -0.0030525900000000 ] - [ -0.0003202700000000, 0.0006501100000000, -0.0002511300000000 ] - [ -0.0025699200000000, 0.0052340700000000, 0.0019279900000000 ] - [ 0.0000562100000000, -0.0005450700000000, -0.0000122800000000 ] - [ 0.0003810400000000, -0.0005683200000000, -0.0000988600000000 ] - [ 0.0004581500000000, -0.0000511400000000, -0.0009386100000000 ] - [ -0.0000865100000000, 0.0007980600000000, -0.0006319100000000 ] - [ -0.0002766900000000, -0.0005308600000000, 0.0008949500000000 ] - [ -0.0002300800000000, -0.0004242900000000, 0.0013601500000000 ] - [ 0.0001286000000000, -0.0009822100000000, 0.0004116800000000 ] - [ -0.0000624900000000, -0.0009063600000000, 0.0003048000000000 ] - [ -0.0005792600000000, 0.0009979400000000, 0.0010368000000000 ] - [ 0.0004492600000000, 0.0011971700000000, 0.0010147700000000 ] - [ 0.0033145800000000, -0.0017693600000000, -0.0087841100000000 ] - [ 0.0000048300000000, -0.0009529800000000, -0.0015424700000000 ] - [ -0.0001031600000000, 0.0008867000000000, 0.0007814800000000 ] - [ -0.0001140900000000, 0.0006138300000000, 0.0003561000000000 ] - [ 0.0003050600000000, 0.0002052600000000, -0.0003981700000000 ] - [ -0.0000552500000000, 0.0002138900000000, -0.0002212900000000 ] - [ -0.0002901400000000, -0.0007061900000000, 0.0006284100000000 ] - [ 0.0001217400000000, -0.0004921300000000, 0.0001644100000000 ] - [ 0.0000310500000000, -0.0000815900000000, -0.0002463800000000 ] - [ -0.0000730700000000, 0.0002094000000000, -0.0001531000000000 ] - [ -0.0003907700000000, -0.0002833700000000, 0.0000418400000000 ] - [ 0.0000362400000000, -0.0003231400000000, -0.0001703800000000 ] - [ 0.0002768000000000, 0.0005765400000000, 0.0003959000000000 ] - [ -0.0002568600000000, 0.0006278000000000, 0.0004586400000000 ] - [ -0.0001744400000000, -0.0002395400000000, -0.0001009000000000 ] - [ 0.0003116400000000, 0.0001680600000000, -0.0000866000000000 ] - [ -0.0000317900000000, -0.0006409800000000, 0.0001295100000000 ] - [ 0.0003556200000000, -0.0007956600000000, 0.0002826100000000 ] - [ -0.0007580100000000, 0.0024987100000000, -0.0003883300000000 ] - [ 0.0009600900000000, -0.0026583900000000, 0.0019984500000000 ] - [ 0.0001831400000000, 0.0003537100000000, -0.0008033300000000 ] - [ 0.0002575200000000, 0.0005735800000000, -0.0006186800000000 ] - [ 0.0103850400000000, 0.0196885900000000, -0.0581029200000000 ] - [ -0.0002421900000000, 0.0005345200000000, 0.0000950200000000 ] - [ -0.0008623700000000, 0.0015460500000000, -0.0016090400000000 ] - [ -0.0000211600000000, -0.0000495800000000, -0.0009347500000000 ] - [ -0.0002354100000000, 0.0001456500000000, -0.0009091000000000 ] - [ -0.0004093500000000, 0.0000380300000000, -0.0005040200000000 ] - [ 0.0002676100000000, -0.0002935000000000, -0.0003283200000000 ] - [ -0.0002354900000000, 0.0004185100000000, -0.0010905900000000 ] - [ 0.0004514900000000, 0.0014279100000000, 0.0000889100000000 ] - [ -0.0011779900000000, -0.0027396000000000, -0.0015688800000000 ] - [ 0.0038515700000000, 0.0006617800000000, -0.0061515500000000 ] - [ 0.0006027400000000, -0.0000657300000000, 0.0005357800000000 ] - [ -0.0007875300000000, 0.0000416400000000, 0.0001220400000000 ] - [ -0.0008562300000000, 0.0000810200000000, 0.0002495500000000 ] - [ 0.0000036200000000, 0.0002516300000000, 0.0013704300000000 ] - [ 0.0001493500000000, 0.0001849200000000, 0.0010214700000000 ] - [ 0.0002338500000000, 0.0005204900000000, 0.0004673700000000 ] - [ 0.0002439800000000, 0.0005708300000000, 0.0005425700000000 ] - [ -0.0009583800000000, -0.0013025200000000, -0.0003295200000000 ] - [ -0.0003790300000000, -0.0005763800000000, 0.0001539000000000 ] - [ 0.0000096600000000, 0.0000553000000000, -0.0001079200000000 ] - [ 0.0000123100000000, 0.0001173100000000, -0.0000972900000000 ] - [ -0.0000913700000000, 0.0000793500000000, 0.0003623300000000 ] - [ -0.0001198100000000, 0.0000283300000000, 0.0004446500000000 ] - [ -0.0002382800000000, -0.0004418200000000, 0.0003023200000000 ] - [ -0.0000546400000000, -0.0002062400000000, 0.0007400200000000 ] - [ -0.0013887400000000, 0.0034753500000000, -0.0034648600000000 ] - [ -0.0011044600000000, 0.0029236500000000, -0.0036740300000000 ] - [ 0.0003592800000000, -0.0001294200000000, -0.0013639200000000 ] - [ 0.0001301900000000, -0.0000510400000000, -0.0009840400000000 ] - [ -0.0019980400000000, 0.0001058600000000, 0.0002409400000000 ] - [ 0.0003143800000000, 0.0014792600000000, 0.0005646500000000 ] - [ -0.0121356100000000, -0.0320171400000000, 0.0524055700000000 ] - [ 0.0004686500000000, -0.0007778000000000, -0.0000103600000000 ] - [ 0.0005935000000000, -0.0000987000000000, -0.0002866300000000 ] - [ 0.0004351000000000, -0.0001872700000000, -0.0003957600000000 ] - [ 0.0006420200000000, 0.0002925600000000, 0.0006000100000000 ] - [ -0.0075123200000000, 0.0045099000000000, 0.0269453000000000 ] - [ 0.0002251300000000, -0.0003160400000000, 0.0000743900000000 ] - [ -0.0003031700000000, 0.0012540700000000, -0.0004349500000000 ] - [ 0.0001192400000000, 0.0005294300000000, -0.0008253200000000 ] - [ -0.0001607800000000, 0.0005328900000000, -0.0007698500000000 ] - [ 0.0002128700000000, -0.0007534900000000, 0.0001412100000000 ] - [ -0.0001541400000000, -0.0009442800000000, 0.0001735300000000 ] - [ 0.0003569600000000, -0.0002491700000000, 0.0017129800000000 ] - [ -0.0000698900000000, 0.0004037200000000, 0.0007751000000000 ] - [ -0.0000938000000000, 0.0011351700000000, -0.0006169100000000 ] - [ -0.0000362300000000, 0.0007570900000000, -0.0004080400000000 ] - [ -0.0001586500000000, -0.0002175500000000, -0.0008007600000000 ] - [ -0.0005508800000000, -0.0001740800000000, -0.0005396300000000 ] - [ 0.0002484700000000, -0.0011736600000000, -0.0004080900000000 ] - [ -0.0001374900000000, -0.0006046600000000, -0.0000064500000000 ] - [ 0.0025518600000000, -0.0011724400000000, -0.0003779800000000 ] - [ -0.0008182900000000, 0.0007953200000000, -0.0006874100000000 ] - [ 0.0005993300000000, -0.0016623600000000, 0.0035087900000000 ] - [ 0.0045406600000000, -0.0022747800000000, 0.0018595900000000 ] - [ -0.0001949700000000, 0.0007093900000000, -0.0000938200000000 ] - [ 0.0000753300000000, 0.0006997500000000, -0.0001377800000000 ] - [ -0.0000745600000000, -0.0006311800000000, 0.0002034300000000 ] - [ 0.0000770100000000, -0.0005994700000000, 0.0001436700000000 ] - [ 0.0008705400000000, 0.0007479500000000, 0.0003644400000000 ] - [ 0.0005722100000000, 0.0001365700000000, 0.0001679500000000 ] - [ 0.0000969000000000, -0.0001343300000000, -0.0000106600000000 ] - [ 0.0000433600000000, -0.0001016700000000, -0.0001938500000000 ] - [ -0.0001711300000000, -0.0011072400000000, 0.0001158800000000 ] - [ 0.0000896300000000, 0.0003065100000000, 0.0002064800000000 ] - [ 0.0009036500000000, -0.0017288000000000, 0.0000777500000000 ] - [ -0.0025275000000000, -0.0008839500000000, -0.0022924000000000 ] - [ 0.0023046800000000, 0.0020185900000000, -0.0020458500000000 ] - [ -0.0000423300000000, -0.0000801400000000, -0.0001233700000000 ] - [ -0.0006476400000000, -0.0003021800000000, -0.0008192400000000 ] - [ -0.0007320600000000, -0.0004590800000000, -0.0008251700000000 ] - [ -0.0001628900000000, -0.0005185200000000, 0.0003609200000000 ] - [ -0.0004719900000000, -0.0006896000000000, 0.0004604100000000 ] - [ 0.0002538500000000, 0.0010269900000000, -0.0018448400000000 ] - [ 0.0004809400000000, 0.0004913700000000, -0.0010467200000000 ] - [ -0.0026606000000000, 0.0019720500000000, 0.0037483900000000 ] - [ -0.0004181000000000, 0.0002630600000000, 0.0003015100000000 ] - [ 0.0006082600000000, 0.0000987000000000, -0.0006070700000000 ] - [ 0.0008051500000000, 0.0001271700000000, -0.0006507600000000 ] - [ 0.0022099700000000, 0.0009995000000000, 0.0024667700000000 ] - [ 0.0004289500000000, -0.0019001600000000, 0.0028576900000000 ] - [ -0.0003046500000000, 0.0000332300000000, -0.0001676900000000 ] - [ -0.0005187500000000, -0.0009722500000000, -0.0015150800000000 ] - [ -0.0001298600000000, 0.0001126000000000, 0.0009229400000000 ] - [ -0.0003272100000000, 0.0003599100000000, 0.0009671700000000 ] - [ -0.0005592600000000, -0.0028238300000000, 0.0034100400000000 ] - [ 0.0006970500000000, -0.0000876900000000, 0.0000209400000000 ] - [ 0.0006725800000000, -0.0002413500000000, 0.0004622500000000 ] - [ 0.0001772000000000, 0.0001574200000000, 0.0003513800000000 ] - [ 0.0004014700000000, 0.0000173900000000, -0.0003725100000000 ] - [ 0.0002744500000000, 0.0001001400000000, -0.0002903900000000 ]- atom: 79 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0001278100000000, -0.0009459100000000, 0.0001794700000000 ] - [ -0.0002003600000000, -0.0007988200000000, -0.0001250200000000 ] - [ -0.0007688600000000, 0.0031174700000000, -0.0035857900000000 ] - [ -0.0007313000000000, 0.0006131000000000, 0.0012581600000000 ] - [ 0.0051069700000000, 0.0027313100000000, -0.0001084800000000 ] - [ -0.0018861100000000, 0.0012654400000000, 0.0002206200000000 ] - [ 0.0005040700000000, 0.0009060800000000, 0.0000638600000000 ] - [ -0.0004029300000000, 0.0009912700000000, -0.0006926100000000 ] - [ -0.0001457800000000, -0.0006078500000000, 0.0007291300000000 ] - [ -0.0003458600000000, -0.0005556500000000, 0.0000944000000000 ] - [ -0.0001920300000000, 0.0005467500000000, 0.0006064600000000 ] - [ -0.0003588900000000, 0.0004120100000000, -0.0000066200000000 ] - [ -0.0002382400000000, -0.0037332800000000, 0.0006919400000000 ] - [ -0.0010797300000000, 0.0000820500000000, -0.0000378800000000 ] - [ 0.0001838600000000, 0.0005785600000000, -0.0005414500000000 ] - [ 0.0003590400000000, 0.0005679400000000, -0.0009256200000000 ] - [ 0.0035114200000000, -0.0020097700000000, 0.0011705300000000 ] - [ -0.0016103100000000, -0.0007934300000000, 0.0014543100000000 ] - [ 0.0034711200000000, -0.0014929500000000, -0.0004059700000000 ] - [ -0.0010218600000000, -0.0010194000000000, -0.0006150000000000 ] - [ 0.0130464700000000, -0.0046152300000000, -0.0089454200000000 ] - [ -0.0021180100000000, 0.0002029200000000, -0.0010790800000000 ] - [ -0.0001703600000000, -0.0005218900000000, -0.0002965500000000 ] - [ 0.0006865000000000, -0.0006143700000000, -0.0014543100000000 ] - [ 0.0003366100000000, 0.0003179200000000, 0.0003536600000000 ] - [ -0.0004266000000000, 0.0004747400000000, 0.0002527300000000 ] - [ 0.0002325300000000, 0.0006202700000000, -0.0001553000000000 ] - [ 0.0000141300000000, 0.0005853100000000, -0.0003773400000000 ] - [ -0.0002435700000000, -0.0001834700000000, 0.0000630000000000 ] - [ -0.0002524000000000, -0.0003008400000000, -0.0002905900000000 ] - [ 0.0000723200000000, 0.0004493900000000, -0.0002791300000000 ] - [ -0.0001121400000000, 0.0004108900000000, -0.0000704800000000 ] - [ -0.0002561400000000, -0.0007452800000000, 0.0004808700000000 ] - [ -0.0003574900000000, -0.0005334100000000, -0.0003157300000000 ] - [ 0.0000351600000000, 0.0002125000000000, 0.0004935400000000 ] - [ -0.0001456000000000, 0.0003201100000000, -0.0000901500000000 ] - [ 0.0006682500000000, -0.0004772200000000, -0.0001731600000000 ] - [ -0.0002698600000000, -0.0004335800000000, -0.0000045200000000 ] - [ 0.0009889500000000, -0.0004094300000000, -0.0001130700000000 ] - [ -0.0003291500000000, -0.0004446200000000, -0.0002232700000000 ] - [ 0.0000529900000000, -0.0003827800000000, 0.0007070700000000 ] - [ -0.0002684200000000, 0.0006546100000000, 0.0006895800000000 ] - [ -0.0002619200000000, 0.0001813500000000, -0.0010591100000000 ] - [ -0.0002524100000000, -0.0009383900000000, -0.0013749700000000 ] - [ -0.0000182400000000, 0.0000712500000000, 0.0000255400000000 ] - [ -0.0000102100000000, 0.0000130900000000, 0.0000243600000000 ] - [ 0.0001550800000000, -0.0003116000000000, -0.0007164300000000 ] - [ 0.0000262000000000, -0.0000971900000000, -0.0008185000000000 ] - [ -0.0005526000000000, 0.0000573300000000, -0.0004201100000000 ] - [ -0.0002541000000000, 0.0001365600000000, -0.0007975100000000 ] - [ 0.0012314200000000, -0.0018821300000000, 0.0009846400000000 ] - [ -0.0003080900000000, 0.0013737100000000, -0.0010886200000000 ] - [ 0.0002207100000000, 0.0002303300000000, -0.0004293400000000 ] - [ 0.0001505100000000, 0.0001239700000000, -0.0003278900000000 ] - [ 0.0004800000000000, -0.0000602700000000, 0.0004528500000000 ] - [ 0.0007503700000000, 0.0000307000000000, -0.0000027900000000 ] - [ -0.0006226400000000, 0.0002914300000000, -0.0006857500000000 ] - [ -0.0007473400000000, -0.0000105600000000, 0.0004150200000000 ] - [ 0.0009498500000000, -0.0000446200000000, -0.0008408600000000 ] - [ 0.0000052800000000, 0.0001606200000000, 0.0018123000000000 ] - [ 0.1023157400000000, 0.1082663700000000, 0.1214957400000000 ] - [ -0.0004639400000000, -0.0003402600000000, -0.0006332700000000 ] - [ -0.0002680600000000, -0.0003751600000000, 0.0002415800000000 ] - [ -0.0002014500000000, -0.0001094500000000, 0.0007657700000000 ] - [ -0.0021858800000000, -0.0046162400000000, -0.0000808700000000 ] - [ 0.0014413600000000, 0.0039377900000000, 0.0000895700000000 ] - [ -0.0004575000000000, 0.0003195800000000, 0.0001580200000000 ] - [ -0.0000889700000000, -0.0002064600000000, 0.0005296600000000 ] - [ 0.0011666000000000, 0.0022833700000000, 0.0022458100000000 ] - [ -0.0003001800000000, -0.0009334400000000, 0.0004919200000000 ] - [ 0.0000266100000000, -0.0000749200000000, 0.0000736000000000 ] - [ -0.0001508600000000, 0.0003907700000000, -0.0003695100000000 ] - [ -0.0011788600000000, -0.0003470400000000, 0.0001235700000000 ] - [ 0.0008436300000000, 0.0000858700000000, -0.0012399600000000 ] - [ -0.0004286100000000, 0.0000642500000000, -0.0001061600000000 ] - [ -0.0003171200000000, -0.0000296900000000, 0.0004394600000000 ] - [ 0.0000503300000000, -0.0005988700000000, -0.0003818900000000 ] - [ -0.0001142600000000, -0.0005933900000000, -0.0002754100000000 ] - [ -0.1185338100000000, -0.1212329500000000, -0.1326123700000000 ] - [ 0.0017835300000000, 0.0002293600000000, 0.0004157100000000 ] - [ -0.0000967600000000, 0.0005488400000000, 0.0004245100000000 ] - [ 0.0000910000000000, 0.0005414400000000, 0.0005847700000000 ] - [ -0.0004424400000000, -0.0008364500000000, 0.0005342000000000 ] - [ 0.0002750100000000, -0.0005302200000000, -0.0000316500000000 ] - [ 0.0050452900000000, 0.0016774100000000, 0.0014581600000000 ] - [ 0.0052156700000000, -0.0017871200000000, -0.0027207000000000 ] - [ -0.0010163300000000, 0.0005094500000000, -0.0005473600000000 ] - [ 0.0008308300000000, -0.0001748600000000, 0.0007130500000000 ] - [ -0.0003660700000000, 0.0006616700000000, 0.0007809700000000 ] - [ -0.0001446400000000, 0.0004531000000000, 0.0008682500000000 ] - [ -0.0014124400000000, -0.0011302900000000, -0.0002363000000000 ] - [ 0.0004541600000000, 0.0008756300000000, -0.0001003000000000 ] - [ -0.0008855000000000, -0.0007144000000000, 0.0010405700000000 ] - [ 0.0006598300000000, 0.0000290300000000, -0.0003735900000000 ] - [ 0.0016808900000000, -0.0009607000000000, -0.0000697200000000 ] - [ -0.0001190100000000, 0.0014342100000000, 0.0013645900000000 ] - [ -0.0003350200000000, -0.0010476100000000, -0.0011641500000000 ] - [ 0.0002416900000000, -0.0007859800000000, 0.0000596800000000 ] - [ 0.0005210100000000, -0.0001294800000000, 0.0002015000000000 ] - [ 0.0007044200000000, -0.0003622600000000, 0.0006263700000000 ] - [ -0.0006444200000000, 0.0004044600000000, -0.0003084500000000 ] - [ 0.0003050400000000, 0.0006526000000000, 0.0004776800000000 ] - [ 0.0010774300000000, -0.0031875200000000, -0.0022009900000000 ] - [ 0.0022295400000000, 0.0030566100000000, 0.0001468900000000 ] - [ 0.0005120400000000, 0.0001310900000000, -0.0001593400000000 ] - [ 0.0003011200000000, -0.0004286000000000, 0.0007483700000000 ] - [ -0.0010664900000000, -0.0002385000000000, -0.0003257200000000 ] - [ 0.0006694200000000, -0.0000933900000000, 0.0000775300000000 ] - [ -0.0000508300000000, 0.0009193000000000, 0.0003553000000000 ] - [ 0.0002296400000000, 0.0006402100000000, 0.0003917800000000 ] - [ -0.0002345500000000, -0.0006077000000000, -0.0012397600000000 ] - [ 0.0006158300000000, -0.0006359900000000, -0.0003000300000000 ] - [ -0.0000361900000000, 0.0005666300000000, 0.0002573600000000 ] - [ 0.0001067400000000, 0.0005705200000000, -0.0001073300000000 ] - [ -0.0158132700000000, 0.0184502300000000, 0.0240683100000000 ] - [ 0.0008328100000000, -0.0001684300000000, -0.0001126800000000 ] - [ -0.0002678000000000, -0.0004256400000000, 0.0003641700000000 ] - [ 0.0010536800000000, -0.0003465200000000, 0.0010921000000000 ] - [ -0.0004701700000000, -0.0006452600000000, -0.0025949500000000 ] - [ 0.0008166100000000, 0.0006272400000000, -0.0002833600000000 ] - [ -0.0005286000000000, 0.0001775800000000, 0.0000475800000000 ] - [ -0.0007231100000000, 0.0001401400000000, 0.0004667500000000 ] - [ 0.0002430400000000, 0.0017616100000000, -0.0010271200000000 ] - [ 0.0011770800000000, 0.0002777100000000, -0.0004138300000000 ] - [ -0.0005684000000000, 0.0001564500000000, -0.0003458000000000 ] - [ -0.0004554200000000, -0.0000202000000000, 0.0001906500000000 ] - [ -0.0020071600000000, 0.0006685800000000, 0.0008160900000000 ] - [ 0.0004202900000000, -0.0006996800000000, 0.0003990800000000 ] - [ -0.0000749600000000, 0.0000543200000000, 0.0004187500000000 ] - [ -0.0001253400000000, -0.0000010500000000, 0.0008158400000000 ] - [ 0.0001291600000000, -0.0000444500000000, -0.0004959000000000 ] - [ -0.0000586600000000, -0.0000995500000000, 0.0000334500000000 ] - [ 0.0004291000000000, -0.0001444300000000, -0.0001459000000000 ] - [ 0.0005721000000000, -0.0002015100000000, 0.0003312400000000 ] - [ 0.0005526300000000, 0.0002780400000000, 0.0005085400000000 ] - [ 0.0006041100000000, 0.0002971300000000, -0.0004797100000000 ]- atom: 79 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0002036500000000, -0.0006901200000000, 0.0000691100000000 ] - [ 0.0001176200000000, -0.0008371900000000, 0.0003761100000000 ] - [ 0.0012905900000000, -0.0019039600000000, 0.0024101000000000 ] - [ 0.0012810100000000, 0.0005427400000000, -0.0024098200000000 ] - [ -0.0055611000000000, -0.0014601200000000, 0.0009507900000000 ] - [ 0.0013999200000000, -0.0001367200000000, 0.0006786300000000 ] - [ -0.0004232500000000, 0.0007278500000000, -0.0003256300000000 ] - [ 0.0004806800000000, 0.0006447200000000, 0.0004305500000000 ] - [ -0.0003387900000000, -0.0005246200000000, 0.0001541600000000 ] - [ -0.0001389300000000, -0.0005770700000000, 0.0007899100000000 ] - [ -0.0003587200000000, 0.0006094800000000, 0.0005520400000000 ] - [ -0.0001950000000000, 0.0007412600000000, 0.0011582800000000 ] - [ 0.0006930000000000, 0.0025421500000000, -0.0015472200000000 ] - [ 0.0015630500000000, -0.0012096800000000, -0.0008479500000000 ] - [ 0.0003044400000000, 0.0005546500000000, -0.0003554800000000 ] - [ 0.0001242000000000, 0.0005648700000000, 0.0000284800000000 ] - [ -0.0040374000000000, 0.0007519800000000, 0.0000696900000000 ] - [ 0.0010591900000000, -0.0003579900000000, -0.0002823300000000 ] - [ -0.0033276500000000, -0.0001676000000000, 0.0001165500000000 ] - [ 0.0010880900000000, -0.0006169100000000, 0.0003614600000000 ] - [ -0.0134073100000000, 0.0064735900000000, 0.0095679000000000 ] - [ 0.0020363400000000, 0.0014317100000000, 0.0013329700000000 ] - [ 0.0007263400000000, -0.0006365200000000, -0.0008750600000000 ] - [ -0.0001402300000000, -0.0005435300000000, 0.0002839500000000 ] - [ -0.0006131300000000, 0.0007479600000000, -0.0000663400000000 ] - [ 0.0001463300000000, 0.0005942500000000, 0.0000340300000000 ] - [ 0.0000481000000000, 0.0004497800000000, -0.0001331800000000 ] - [ 0.0002613500000000, 0.0004854300000000, 0.0000873300000000 ] - [ 0.0001652300000000, -0.0005544300000000, -0.0001526600000000 ] - [ 0.0001719300000000, -0.0004332000000000, 0.0001987400000000 ] - [ -0.0001500900000000, 0.0002863100000000, 0.0001799000000000 ] - [ 0.0000319500000000, 0.0003240100000000, -0.0000244900000000 ] - [ -0.0000198100000000, -0.0003211200000000, -0.0002008000000000 ] - [ 0.0000776200000000, -0.0005363700000000, 0.0005982700000000 ] - [ 0.0000463300000000, 0.0005207800000000, -0.0003979400000000 ] - [ 0.0002225200000000, 0.0004126400000000, 0.0001846700000000 ] - [ -0.0005898300000000, -0.0002565000000000, 0.0002638900000000 ] - [ 0.0003504100000000, -0.0003000500000000, 0.0000952200000000 ] - [ -0.0007115800000000, -0.0006644500000000, -0.0001686000000000 ] - [ 0.0006073000000000, -0.0006258600000000, -0.0000601400000000 ] - [ -0.0002633600000000, 0.0009251100000000, 0.0008717400000000 ] - [ 0.0000595800000000, -0.0001187700000000, 0.0008876400000000 ] - [ 0.0004834100000000, 0.0003769400000000, -0.0005050300000000 ] - [ 0.0004599400000000, 0.0014721100000000, -0.0002032500000000 ] - [ 0.0000191500000000, -0.0000734100000000, -0.0000242100000000 ] - [ 0.0000101000000000, -0.0000129300000000, -0.0000235100000000 ] - [ 0.0000538400000000, -0.0002236500000000, -0.0008580200000000 ] - [ 0.0001809600000000, -0.0004346700000000, -0.0007597100000000 ] - [ -0.0004496500000000, 0.0000509900000000, -0.0004040900000000 ] - [ -0.0007488600000000, -0.0000279200000000, -0.0000235900000000 ] - [ -0.0008235400000000, 0.0014859800000000, -0.0017117800000000 ] - [ 0.0007265000000000, -0.0017900400000000, 0.0003655100000000 ] - [ 0.0001908800000000, 0.0001687800000000, -0.0003018100000000 ] - [ 0.0002606100000000, 0.0002743500000000, -0.0004017200000000 ] - [ 0.0005303900000000, -0.0000455000000000, 0.0003537900000000 ] - [ 0.0002593000000000, -0.0001368100000000, 0.0008119300000000 ] - [ -0.0003875000000000, -0.0003957500000000, -0.0001279400000000 ] - [ -0.0002643400000000, -0.0000935500000000, -0.0012156100000000 ] - [ 0.0000453900000000, 0.0001565100000000, 0.0016775700000000 ] - [ 0.0009972000000000, -0.0000538500000000, -0.0009916500000000 ] - [ -0.0999078900000000, -0.1084936000000000, -0.1217693600000000 ] - [ 0.0004647900000000, 0.0003432500000000, 0.0006354400000000 ] - [ -0.0001441600000000, -0.0000241200000000, 0.0004897300000000 ] - [ -0.0002128500000000, -0.0002939400000000, -0.0000364400000000 ] - [ 0.0021973900000000, 0.0046989200000000, 0.0000845000000000 ] - [ -0.0013978300000000, -0.0039137600000000, -0.0001032200000000 ] - [ 0.0000425800000000, 0.0000804100000000, 0.0005675800000000 ] - [ -0.0003225800000000, 0.0006026400000000, 0.0002035200000000 ] - [ -0.0013617100000000, -0.0027920900000000, -0.0006503400000000 ] - [ 0.0000919900000000, 0.0003942800000000, 0.0010831800000000 ] - [ -0.0000289600000000, 0.0000797800000000, -0.0000779600000000 ] - [ 0.0001481000000000, -0.0003846500000000, 0.0003636900000000 ] - [ 0.0013166900000000, 0.0004693000000000, -0.0009987500000000 ] - [ -0.0007070600000000, 0.0000414500000000, 0.0003789700000000 ] - [ -0.0003552200000000, -0.0000106200000000, 0.0003255700000000 ] - [ -0.0004639400000000, 0.0000808600000000, -0.0002145800000000 ] - [ -0.0000730200000000, -0.0005315200000000, -0.0003811500000000 ] - [ 0.0000931700000000, -0.0005384800000000, -0.0004873000000000 ] - [ 0.1170629400000000, 0.1215392800000000, 0.1330419000000000 ] - [ -0.0006358600000000, 0.0001200300000000, 0.0000657100000000 ] - [ 0.0001181800000000, 0.0005841200000000, 0.0003436700000000 ] - [ -0.0000700300000000, 0.0005930800000000, 0.0001837300000000 ] - [ 0.0003376500000000, -0.0002698600000000, -0.0006217200000000 ] - [ -0.0003802900000000, -0.0005745100000000, -0.0000600300000000 ] - [ -0.0051437600000000, -0.0005740300000000, -0.0022670700000000 ] - [ -0.0051495700000000, 0.0029106300000000, 0.0019245800000000 ] - [ 0.0011066600000000, -0.0018566900000000, 0.0010531000000000 ] - [ -0.0007316100000000, -0.0011497400000000, -0.0002082700000000 ] - [ -0.0001274100000000, 0.0003828200000000, 0.0005013300000000 ] - [ -0.0003447400000000, 0.0005882900000000, 0.0004121200000000 ] - [ 0.0012990900000000, 0.0024332000000000, -0.0002637900000000 ] - [ -0.0005476300000000, 0.0004499300000000, -0.0004012800000000 ] - [ -0.0002361700000000, 0.0003760800000000, -0.0008946900000000 ] - [ -0.0017835000000000, -0.0003847300000000, 0.0005394500000000 ] - [ -0.0015938800000000, -0.0001431600000000, 0.0001618500000000 ] - [ 0.0002300700000000, -0.0025406900000000, -0.0012649900000000 ] - [ 0.0002375300000000, -0.0002702000000000, 0.0006733600000000 ] - [ -0.0003383400000000, -0.0005378400000000, -0.0005615800000000 ] - [ 0.0006224300000000, -0.0002248000000000, 0.0002883200000000 ] - [ 0.0004416400000000, 0.0000074900000000, -0.0001352600000000 ] - [ 0.0005310900000000, 0.0007011300000000, 0.0002160600000000 ] - [ -0.0004013200000000, 0.0004565700000000, -0.0005567700000000 ] - [ -0.0010270100000000, 0.0020182900000000, 0.0029365100000000 ] - [ -0.0021907800000000, -0.0042392200000000, 0.0006029500000000 ] - [ 0.0002694700000000, -0.0001853100000000, -0.0000570000000000 ] - [ 0.0004831800000000, 0.0003763800000000, -0.0009599300000000 ] - [ 0.0009238400000000, 0.0001186400000000, 0.0011717800000000 ] - [ -0.0007979900000000, -0.0000337600000000, 0.0007678300000000 ] - [ 0.0001457500000000, 0.0004088700000000, 0.0001512100000000 ] - [ -0.0001289000000000, 0.0006842000000000, 0.0001135500000000 ] - [ 0.0007277900000000, -0.0004329200000000, -0.0000271800000000 ] - [ -0.0001247800000000, -0.0004072900000000, -0.0009737800000000 ] - [ 0.0001411900000000, 0.0005403400000000, -0.0001613000000000 ] - [ -0.0000014300000000, 0.0005362400000000, 0.0001994500000000 ] - [ 0.0150005100000000, -0.0187873400000000, -0.0245299200000000 ] - [ -0.0019689200000000, -0.0001876900000000, -0.0003768500000000 ] - [ -0.0002288900000000, -0.0006284000000000, 0.0008967500000000 ] - [ -0.0015432500000000, -0.0006966200000000, 0.0001836400000000 ] - [ 0.0009522700000000, 0.0016749200000000, 0.0013050600000000 ] - [ -0.0003175700000000, 0.0004148000000000, -0.0009946700000000 ] - [ -0.0005989400000000, 0.0001786400000000, 0.0001297200000000 ] - [ -0.0004024200000000, 0.0002161600000000, -0.0002907600000000 ] - [ 0.0008788100000000, -0.0013960000000000, 0.0008466200000000 ] - [ -0.0000416800000000, 0.0000819000000000, 0.0002372700000000 ] - [ -0.0005755100000000, 0.0001940100000000, -0.0001326000000000 ] - [ -0.0006861900000000, 0.0003691700000000, -0.0006686000000000 ] - [ 0.0012376800000000, -0.0007096200000000, -0.0005932500000000 ] - [ -0.0012062800000000, 0.0006554500000000, -0.0001866100000000 ] - [ -0.0000604900000000, 0.0000701400000000, 0.0004420700000000 ] - [ -0.0000089400000000, 0.0001262200000000, 0.0000480000000000 ] - [ 0.0000007800000000, -0.0000833200000000, -0.0003528100000000 ] - [ 0.0001912400000000, -0.0000276600000000, -0.0008837800000000 ] - [ 0.0006922200000000, -0.0002143400000000, -0.0000151100000000 ] - [ 0.0005511400000000, -0.0001556500000000, -0.0004971100000000 ] - [ 0.0002348400000000, -0.0002172600000000, -0.0007149400000000 ] - [ 0.0001795000000000, -0.0002425300000000, 0.0002596600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002240000000000, -0.0010143000000000, -0.0002846300000000 ] - [ -0.0003069800000000, -0.0008323800000000, -0.0002822200000000 ] - [ -0.0010032700000000, 0.0079859800000000, 0.0009398700000000 ] - [ 0.0001265700000000, 0.0012411000000000, 0.0003133300000000 ] - [ 0.0024269800000000, 0.0079826700000000, -0.0008848400000000 ] - [ 0.0000651700000000, 0.0006992600000000, 0.0012864400000000 ] - [ -0.0000197800000000, 0.0003272800000000, -0.0003532200000000 ] - [ 0.0000764800000000, 0.0005580700000000, -0.0003852000000000 ] - [ -0.0001277700000000, -0.0004617400000000, -0.0001844700000000 ] - [ -0.0002695400000000, -0.0005001400000000, -0.0001509100000000 ] - [ -0.0000814300000000, 0.0004037700000000, 0.0000695300000000 ] - [ -0.0004718700000000, 0.0000975400000000, -0.0005626600000000 ] - [ -0.0033461200000000, -0.0088701700000000, 0.0027751400000000 ] - [ 0.0003178200000000, -0.0013938400000000, -0.0000425800000000 ] - [ 0.0003996800000000, 0.0006236100000000, -0.0009516500000000 ] - [ 0.0001247800000000, 0.0006227900000000, -0.0007207600000000 ] - [ -0.0025701000000000, 0.0073796900000000, -0.0020013400000000 ] - [ -0.0003672600000000, -0.0000888600000000, 0.0011069100000000 ] - [ 0.0063514100000000, -0.0042143300000000, -0.0040934600000000 ] - [ -0.0010165100000000, -0.0009336200000000, 0.0003008900000000 ] - [ -0.0040251600000000, 0.0057778400000000, 0.0038297200000000 ] - [ -0.0010063000000000, 0.0014454700000000, 0.0000767000000000 ] - [ 0.0005788000000000, -0.0008591700000000, -0.0014307100000000 ] - [ -0.0000210500000000, -0.0013468600000000, -0.0019802400000000 ] - [ -0.0000066400000000, -0.0002616400000000, 0.0009677500000000 ] - [ -0.0002937300000000, 0.0003819300000000, 0.0003955500000000 ] - [ 0.0003197800000000, 0.0007315900000000, -0.0004772400000000 ] - [ -0.0001656600000000, 0.0007000000000000, -0.0005593400000000 ] - [ 0.0001905200000000, -0.0009406000000000, -0.0000310000000000 ] - [ -0.0002711600000000, -0.0013257800000000, -0.0003031200000000 ] - [ 0.0001191000000000, 0.0006039700000000, -0.0006850900000000 ] - [ -0.0000597200000000, 0.0004689300000000, -0.0002307300000000 ] - [ -0.0000400500000000, -0.0000899100000000, -0.0002762200000000 ] - [ -0.0003593500000000, -0.0001654000000000, -0.0001910200000000 ] - [ 0.0000949700000000, -0.0000097700000000, 0.0006101600000000 ] - [ 0.0000044100000000, 0.0000365500000000, 0.0005093300000000 ] - [ 0.0000862600000000, 0.0001857900000000, -0.0003277000000000 ] - [ 0.0001378800000000, -0.0001555900000000, -0.0001923800000000 ] - [ 0.0002118100000000, -0.0017214800000000, -0.0002652600000000 ] - [ 0.0000825500000000, -0.0008991000000000, -0.0002090500000000 ] - [ -0.0000204000000000, 0.0003141000000000, 0.0010417500000000 ] - [ -0.0002627300000000, 0.0006342600000000, 0.0006932400000000 ] - [ 0.0005918500000000, 0.0007835100000000, -0.0006663800000000 ] - [ 0.0004906800000000, 0.0014142800000000, -0.0002266100000000 ] - [ 0.0000732600000000, -0.0002600500000000, 0.0001399800000000 ] - [ 0.0001052800000000, -0.0003597100000000, 0.0001633200000000 ] - [ 0.0001719000000000, -0.0003004300000000, -0.0005667200000000 ] - [ 0.0000367200000000, -0.0000797900000000, -0.0008566600000000 ] - [ -0.0002527100000000, 0.0001166600000000, -0.0009160300000000 ] - [ -0.0001458900000000, 0.0001655100000000, -0.0010215200000000 ] - [ -0.0023444200000000, 0.0049310800000000, -0.0022987200000000 ] - [ 0.0005482500000000, -0.0016412600000000, 0.0003468700000000 ] - [ 0.0001716000000000, 0.0001643200000000, -0.0003856900000000 ] - [ 0.0002281200000000, 0.0002954900000000, -0.0002330200000000 ] - [ 0.0008452500000000, 0.0000568900000000, -0.0002960800000000 ] - [ 0.0008785100000000, 0.0000571000000000, -0.0002165600000000 ] - [ 0.0001335400000000, 0.0003314000000000, -0.0023083100000000 ] - [ -0.0009127200000000, 0.0002130500000000, 0.0006815100000000 ] - [ 0.0010428000000000, -0.0001241100000000, -0.0013662800000000 ] - [ -0.0002472900000000, 0.0006329700000000, 0.0030275000000000 ] - [ 0.1039821200000000, 0.2888148000000000, 0.2580013200000000 ] - [ 0.0003008400000000, 0.0006489100000000, 0.0007095900000000 ] - [ -0.0003401300000000, -0.0004068000000000, 0.0003099900000000 ] - [ -0.0005060000000000, -0.0007247700000000, -0.0000198300000000 ] - [ -0.0000027200000000, 0.0068937800000000, 0.0008397300000000 ] - [ 0.0024503800000000, 0.0089145300000000, 0.0011363100000000 ] - [ -0.0003289400000000, -0.0002725700000000, -0.0001856600000000 ] - [ 0.0001583200000000, -0.0008757000000000, 0.0008526700000000 ] - [ 0.0024009700000000, 0.0045729800000000, 0.0035402500000000 ] - [ -0.0000251600000000, -0.0005213600000000, 0.0006231100000000 ] - [ -0.0001508200000000, 0.0003791000000000, -0.0003036400000000 ] - [ -0.0001951600000000, 0.0005133100000000, -0.0004345100000000 ] - [ -0.0025052700000000, 0.0023060800000000, -0.0019337000000000 ] - [ 0.0005968200000000, -0.0001375300000000, -0.0019327200000000 ] - [ -0.0004569000000000, 0.0000215900000000, 0.0002483800000000 ] - [ -0.0003383600000000, -0.0002674500000000, 0.0006725300000000 ] - [ -0.0001005900000000, -0.0003857000000000, -0.0001260100000000 ] - [ -0.0000694900000000, -0.0003165000000000, -0.0000198800000000 ] - [ -0.1183505200000000, -0.3315360200000000, -0.3109021000000000 ] - [ 0.0006271800000000, -0.0005261600000000, -0.0003535100000000 ] - [ -0.0000209900000000, 0.0008048500000000, 0.0005053200000000 ] - [ -0.0000718500000000, 0.0007484500000000, 0.0006532400000000 ] - [ 0.0000418300000000, 0.0001384900000000, -0.0000716400000000 ] - [ -0.0001013000000000, -0.0003114500000000, 0.0000204600000000 ] - [ -0.0031655300000000, -0.0034910400000000, -0.0031387900000000 ] - [ 0.0022300800000000, -0.0054281400000000, -0.0017955800000000 ] - [ 0.0008744000000000, -0.0018528200000000, -0.0003879400000000 ] - [ -0.0000117000000000, -0.0014751100000000, 0.0000626800000000 ] - [ -0.0004443300000000, 0.0008124400000000, 0.0012816000000000 ] - [ -0.0001118100000000, 0.0004678900000000, 0.0008790900000000 ] - [ -0.0023422900000000, -0.0030876500000000, 0.0001218500000000 ] - [ 0.0001789000000000, 0.0006200200000000, -0.0001836300000000 ] - [ -0.0011760800000000, 0.0017219000000000, -0.0003167300000000 ] - [ 0.0018882800000000, 0.0002709000000000, -0.0006090200000000 ] - [ -0.0020443100000000, -0.0006416600000000, 0.0002039700000000 ] - [ 0.0015091800000000, -0.0034886200000000, 0.0012928700000000 ] - [ -0.0001037900000000, -0.0000246400000000, 0.0005035800000000 ] - [ 0.0002967600000000, -0.0005545800000000, 0.0001157400000000 ] - [ 0.0005253300000000, -0.0002511700000000, 0.0006517700000000 ] - [ 0.0007575900000000, -0.0002898900000000, 0.0007313300000000 ] - [ -0.0013318000000000, 0.0006978500000000, -0.0000407600000000 ] - [ 0.0008191500000000, 0.0011032700000000, 0.0011850200000000 ] - [ -0.0035396400000000, -0.0040859300000000, -0.0000806900000000 ] - [ 0.0017220900000000, -0.0046068000000000, -0.0012146800000000 ] - [ 0.0004637600000000, 0.0000476300000000, 0.0000686100000000 ] - [ 0.0007034800000000, 0.0003868000000000, -0.0003121300000000 ] - [ -0.0008479500000000, 0.0022358400000000, 0.0006164400000000 ] - [ 0.0001993200000000, 0.0000584600000000, -0.0002627600000000 ] - [ -0.0000914200000000, 0.0012229600000000, 0.0006804500000000 ] - [ 0.0003315000000000, 0.0007231800000000, 0.0003922200000000 ] - [ 0.0001578600000000, -0.0002397800000000, 0.0003184400000000 ] - [ 0.0003356200000000, -0.0007131300000000, -0.0002406500000000 ] - [ -0.0000594100000000, 0.0005299900000000, 0.0001388800000000 ] - [ 0.0000839700000000, 0.0006132400000000, -0.0000408100000000 ] - [ 0.0179790900000000, 0.0188515200000000, 0.0553821900000000 ] - [ -0.0005634000000000, -0.0007183500000000, -0.0009550600000000 ] - [ -0.0004765700000000, -0.0008161900000000, -0.0003087200000000 ] - [ -0.0014000200000000, -0.0005756600000000, 0.0003509200000000 ] - [ -0.0006430400000000, -0.0020879900000000, -0.0040558800000000 ] - [ 0.0010175900000000, 0.0002559300000000, -0.0009395400000000 ] - [ -0.0007970500000000, 0.0000779700000000, 0.0007022100000000 ] - [ -0.0006910800000000, 0.0000684500000000, 0.0006653100000000 ] - [ -0.0002302200000000, 0.0036469900000000, -0.0007170600000000 ] - [ 0.0012750600000000, 0.0005905000000000, -0.0007273900000000 ] - [ -0.0005528100000000, 0.0001510000000000, 0.0001704800000000 ] - [ -0.0003772900000000, 0.0001433900000000, 0.0002507900000000 ] - [ 0.0023444500000000, -0.0002650200000000, 0.0046398900000000 ] - [ -0.0005790900000000, 0.0007235300000000, -0.0001978200000000 ] - [ -0.0002498700000000, -0.0000486000000000, 0.0008541600000000 ] - [ -0.0001265800000000, -0.0000625100000000, 0.0010903600000000 ] - [ -0.0001843100000000, -0.0002333000000000, 0.0001939400000000 ] - [ 0.0000259200000000, -0.0002562100000000, 0.0002484000000000 ] - [ 0.0004552700000000, -0.0003101000000000, 0.0003462700000000 ] - [ 0.0003611300000000, -0.0002981700000000, 0.0004564100000000 ] - [ 0.0010780100000000, 0.0012062800000000, 0.0007533000000000 ] - [ 0.0002921900000000, 0.0006858100000000, -0.0005131300000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003049700000000, -0.0006212300000000, 0.0005440400000000 ] - [ 0.0002288500000000, -0.0008033200000000, 0.0005392300000000 ] - [ 0.0015533700000000, -0.0068090300000000, -0.0021298000000000 ] - [ 0.0004239800000000, -0.0000784900000000, -0.0014848600000000 ] - [ -0.0025863700000000, -0.0063334900000000, 0.0015561700000000 ] - [ -0.0005524900000000, 0.0004404400000000, -0.0003990800000000 ] - [ 0.0001003500000000, 0.0013072600000000, 0.0001007800000000 ] - [ 0.0000016800000000, 0.0010768400000000, 0.0001282200000000 ] - [ -0.0003583300000000, -0.0006705400000000, 0.0010752400000000 ] - [ -0.0002158000000000, -0.0006320200000000, 0.0010424200000000 ] - [ -0.0004712800000000, 0.0007521700000000, 0.0010942800000000 ] - [ -0.0000801100000000, 0.0010582100000000, 0.0017270000000000 ] - [ 0.0038315000000000, 0.0077162200000000, -0.0036652000000000 ] - [ 0.0001676500000000, 0.0002514500000000, -0.0008462900000000 ] - [ 0.0000861400000000, 0.0005082400000000, 0.0000619400000000 ] - [ 0.0003610100000000, 0.0005087100000000, -0.0001704100000000 ] - [ 0.0022124600000000, -0.0087737800000000, 0.0034130900000000 ] - [ -0.0001903700000000, -0.0010694900000000, 0.0000647800000000 ] - [ -0.0062692900000000, 0.0025777200000000, 0.0038163100000000 ] - [ 0.0010955700000000, -0.0007025200000000, -0.0005652200000000 ] - [ 0.0038104500000000, -0.0041290800000000, -0.0034322500000000 ] - [ 0.0009254400000000, 0.0001939000000000, 0.0001838800000000 ] - [ -0.0000279000000000, -0.0002978600000000, 0.0002690100000000 ] - [ 0.0005730700000000, 0.0001919400000000, 0.0008176100000000 ] - [ -0.0002708500000000, 0.0013272800000000, -0.0006788500000000 ] - [ 0.0000148700000000, 0.0006860100000000, -0.0001111000000000 ] - [ -0.0000427900000000, 0.0003381300000000, 0.0001932600000000 ] - [ 0.0004449000000000, 0.0003702600000000, 0.0002741500000000 ] - [ -0.0002695800000000, 0.0002052700000000, -0.0000614000000000 ] - [ 0.0001911800000000, 0.0005911100000000, 0.0002069900000000 ] - [ -0.0001978800000000, 0.0001311500000000, 0.0005949800000000 ] - [ -0.0000193700000000, 0.0002656400000000, 0.0001373900000000 ] - [ -0.0002386000000000, -0.0009791700000000, 0.0005635300000000 ] - [ 0.0000811000000000, -0.0009049000000000, 0.0004756600000000 ] - [ -0.0000183000000000, 0.0007419000000000, -0.0005146500000000 ] - [ 0.0000769400000000, 0.0006947200000000, -0.0004167700000000 ] - [ -0.0000046400000000, -0.0009212600000000, 0.0004239900000000 ] - [ -0.0000585700000000, -0.0005793500000000, 0.0002870100000000 ] - [ 0.0000682000000000, 0.0006509400000000, -0.0000217500000000 ] - [ 0.0001945400000000, -0.0001705700000000, -0.0000767500000000 ] - [ -0.0001860400000000, 0.0002142800000000, 0.0005340200000000 ] - [ 0.0000551700000000, -0.0001010000000000, 0.0008845300000000 ] - [ -0.0003892600000000, -0.0002566900000000, -0.0009142400000000 ] - [ -0.0002846900000000, -0.0008883800000000, -0.0013551600000000 ] - [ -0.0000725500000000, 0.0002582600000000, -0.0001401500000000 ] - [ -0.0001054000000000, 0.0003594500000000, -0.0001637200000000 ] - [ 0.0000375600000000, -0.0002351200000000, -0.0010089800000000 ] - [ 0.0001715400000000, -0.0004546400000000, -0.0007205300000000 ] - [ -0.0007530100000000, -0.0000097300000000, 0.0000980300000000 ] - [ -0.0008605000000000, -0.0000583200000000, 0.0002058400000000 ] - [ 0.0027585800000000, -0.0053453600000000, 0.0015664000000000 ] - [ -0.0001394800000000, 0.0012458600000000, -0.0010803500000000 ] - [ 0.0002399900000000, 0.0002336500000000, -0.0003459800000000 ] - [ 0.0001834000000000, 0.0001025500000000, -0.0004979000000000 ] - [ 0.0001594200000000, -0.0001648300000000, 0.0011148500000000 ] - [ 0.0001267500000000, -0.0001648300000000, 0.0010340800000000 ] - [ -0.0011343500000000, -0.0004427800000000, 0.0014724800000000 ] - [ -0.0000925500000000, -0.0003207400000000, -0.0014989000000000 ] - [ -0.0000206300000000, 0.0002253600000000, 0.0021551800000000 ] - [ 0.0012503300000000, -0.0005226100000000, -0.0021978400000000 ] - [ -0.1097615200000000, -0.2959512200000000, -0.2724787300000000 ] - [ -0.0003013000000000, -0.0006494200000000, -0.0007099300000000 ] - [ -0.0000704900000000, 0.0000093200000000, 0.0004216600000000 ] - [ 0.0000951100000000, 0.0003288300000000, 0.0007536000000000 ] - [ -0.0000084500000000, -0.0069131000000000, -0.0008407900000000 ] - [ -0.0024253900000000, -0.0088902700000000, -0.0011366000000000 ] - [ -0.0000853200000000, 0.0006857700000000, 0.0009179000000000 ] - [ -0.0005693000000000, 0.0012723000000000, -0.0001203000000000 ] - [ -0.0026059300000000, -0.0051024600000000, -0.0019618600000000 ] - [ -0.0001811200000000, -0.0000066700000000, 0.0009580500000000 ] - [ 0.0001517000000000, -0.0003810400000000, 0.0003052300000000 ] - [ 0.0001951900000000, -0.0005138600000000, 0.0004347200000000 ] - [ 0.0026172200000000, -0.0021600900000000, 0.0010788500000000 ] - [ -0.0004591000000000, 0.0002611600000000, 0.0010715300000000 ] - [ -0.0003240100000000, 0.0000327100000000, -0.0000298200000000 ] - [ -0.0004440200000000, 0.0003220000000000, -0.0004573600000000 ] - [ 0.0000794600000000, -0.0007434000000000, -0.0006418300000000 ] - [ 0.0000480200000000, -0.0008139500000000, -0.0007470100000000 ] - [ 0.1251264500000000, 0.3384600000000000, 0.3263803900000000 ] - [ 0.0005181900000000, 0.0008765900000000, 0.0008364600000000 ] - [ 0.0000411400000000, 0.0003261300000000, 0.0002602500000000 ] - [ 0.0000931300000000, 0.0003836900000000, 0.0001122200000000 ] - [ -0.0001494300000000, -0.0012460900000000, -0.0000202300000000 ] - [ -0.0000028400000000, -0.0007942700000000, -0.0001128700000000 ] - [ 0.0031716400000000, 0.0046152300000000, 0.0023911800000000 ] - [ -0.0022712600000000, 0.0065300800000000, 0.0010339600000000 ] - [ -0.0007761300000000, 0.0005361800000000, 0.0008848300000000 ] - [ 0.0001128900000000, 0.0001560500000000, 0.0004416100000000 ] - [ -0.0000476000000000, 0.0002299800000000, -0.0000052300000000 ] - [ -0.0003797400000000, 0.0005739900000000, 0.0003988100000000 ] - [ 0.0022456300000000, 0.0044046600000000, -0.0006319100000000 ] - [ -0.0002785200000000, 0.0006992900000000, -0.0003200200000000 ] - [ 0.0000453100000000, -0.0020771000000000, 0.0005002400000000 ] - [ -0.0029962900000000, -0.0006276800000000, 0.0007778200000000 ] - [ 0.0021505200000000, -0.0004689700000000, -0.0001137500000000 ] - [ -0.0013989200000000, 0.0023838900000000, -0.0011911400000000 ] - [ 0.0000048100000000, -0.0012987700000000, -0.0010109900000000 ] - [ -0.0003951800000000, -0.0007686100000000, -0.0006190300000000 ] - [ 0.0006191300000000, -0.0000987700000000, -0.0001693100000000 ] - [ 0.0003862800000000, -0.0000608500000000, -0.0002475800000000 ] - [ 0.0012242100000000, 0.0004093100000000, -0.0000498700000000 ] - [ -0.0009282700000000, -0.0000046900000000, -0.0012796600000000 ] - [ 0.0035328600000000, 0.0029499100000000, 0.0008418000000000 ] - [ -0.0016866700000000, 0.0034888500000000, 0.0019794700000000 ] - [ 0.0003187400000000, -0.0001035600000000, -0.0002895600000000 ] - [ 0.0000763700000000, -0.0004434300000000, 0.0000980400000000 ] - [ 0.0007035600000000, -0.0023496200000000, 0.0002445400000000 ] - [ -0.0003318100000000, -0.0001823000000000, 0.0011181300000000 ] - [ 0.0001896000000000, 0.0001014400000000, -0.0001791400000000 ] - [ -0.0002337900000000, 0.0006013000000000, 0.0001113000000000 ] - [ 0.0003336800000000, -0.0008008400000000, -0.0015961400000000 ] - [ 0.0001562500000000, -0.0003287700000000, -0.0010375300000000 ] - [ 0.0001653900000000, 0.0005789400000000, -0.0000494100000000 ] - [ 0.0000220100000000, 0.0004935300000000, 0.0001324600000000 ] - [ -0.0193648400000000, -0.0189386400000000, -0.0565153800000000 ] - [ -0.0005804700000000, 0.0003682200000000, 0.0004741200000000 ] - [ -0.0000131200000000, -0.0002193100000000, 0.0015860100000000 ] - [ 0.0009172100000000, -0.0004650100000000, 0.0009251100000000 ] - [ 0.0011350800000000, 0.0031253900000000, 0.0027748100000000 ] - [ -0.0005328000000000, 0.0007837900000000, -0.0003368000000000 ] - [ -0.0003258900000000, 0.0002793600000000, -0.0005369300000000 ] - [ -0.0004330700000000, 0.0002888100000000, -0.0004977500000000 ] - [ 0.0013526000000000, -0.0032690400000000, 0.0005495700000000 ] - [ -0.0001496900000000, -0.0002297600000000, 0.0005619600000000 ] - [ -0.0005906700000000, 0.0002001100000000, -0.0006557000000000 ] - [ -0.0007668200000000, 0.0002070000000000, -0.0007348800000000 ] - [ -0.0031342600000000, 0.0002267100000000, -0.0044077700000000 ] - [ -0.0002016100000000, -0.0007805000000000, 0.0004172300000000 ] - [ 0.0001171600000000, 0.0001737300000000, 0.0000006000000000 ] - [ -0.0000075400000000, 0.0001880300000000, -0.0002339700000000 ] - [ 0.0003188900000000, 0.0001079800000000, -0.0010521700000000 ] - [ 0.0001072500000000, 0.0001307500000000, -0.0011052200000000 ] - [ 0.0006665200000000, -0.0000485800000000, -0.0005131600000000 ] - [ 0.0007637700000000, -0.0000591700000000, -0.0006264200000000 ] - [ -0.0002915000000000, -0.0011544800000000, -0.0009640800000000 ] - [ 0.0004916700000000, -0.0006304500000000, 0.0002951600000000 ]- atom: 79 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0002684800000000, -0.0007447200000000, -0.0013589400000000 ] - [ -0.0003105100000000, -0.0007694900000000, -0.0008744200000000 ] - [ -0.0044052500000000, 0.0067300400000000, -0.0038594300000000 ] - [ 0.0010100500000000, 0.0006424700000000, -0.0006679000000000 ] - [ -0.0043928700000000, -0.0049098500000000, 0.0055352200000000 ] - [ 0.0000617900000000, 0.0002917500000000, 0.0018089200000000 ] - [ 0.0003967300000000, 0.0008250200000000, -0.0017408600000000 ] - [ -0.0002773400000000, 0.0008650000000000, -0.0008482800000000 ] - [ 0.0000053600000000, -0.0005049900000000, -0.0008084300000000 ] - [ -0.0003355000000000, -0.0005385500000000, -0.0004772000000000 ] - [ -0.0000193200000000, 0.0004531300000000, -0.0006269200000000 ] - [ -0.0005797200000000, 0.0001095800000000, -0.0011090600000000 ] - [ -0.0031800100000000, -0.0063634100000000, 0.0043598300000000 ] - [ 0.0007316400000000, -0.0006946600000000, 0.0006418500000000 ] - [ 0.0005511700000000, 0.0006106000000000, -0.0013897500000000 ] - [ 0.0000680500000000, 0.0006166200000000, -0.0014776900000000 ] - [ -0.0021658300000000, 0.0006298100000000, 0.0064841500000000 ] - [ 0.0004694800000000, -0.0003195300000000, 0.0023233900000000 ] - [ 0.0059003100000000, -0.0038966300000000, -0.0048504400000000 ] - [ -0.0009483300000000, -0.0009524200000000, 0.0000032500000000 ] - [ -0.0112048300000000, 0.0052599500000000, 0.0126576100000000 ] - [ -0.0005251000000000, 0.0007242300000000, 0.0019938500000000 ] - [ 0.0009146300000000, -0.0007387900000000, -0.0017396600000000 ] - [ -0.0003666200000000, -0.0010972500000000, -0.0021207300000000 ] - [ -0.0001693800000000, 0.0002171100000000, 0.0001190200000000 ] - [ -0.0001321500000000, 0.0004700700000000, 0.0001167700000000 ] - [ 0.0004330100000000, 0.0006182200000000, -0.0008467500000000 ] - [ -0.0002004400000000, 0.0006570500000000, -0.0007866800000000 ] - [ 0.0003812000000000, -0.0006093500000000, 0.0006205700000000 ] - [ -0.0003277200000000, -0.0003928300000000, 0.0007080800000000 ] - [ 0.0000018300000000, 0.0004964000000000, -0.0009679100000000 ] - [ -0.0000262900000000, 0.0004209400000000, -0.0005205200000000 ] - [ 0.0004143300000000, -0.0003021300000000, -0.0008041000000000 ] - [ -0.0005735500000000, -0.0004370600000000, -0.0004183100000000 ] - [ 0.0003714900000000, 0.0003560900000000, -0.0000136000000000 ] - [ -0.0002843200000000, 0.0001573800000000, 0.0000588000000000 ] - [ -0.0001710100000000, -0.0001872700000000, -0.0011917500000000 ] - [ 0.0001583300000000, -0.0002609000000000, -0.0003172100000000 ] - [ -0.0000697300000000, -0.0010697200000000, 0.0007463300000000 ] - [ 0.0002190200000000, -0.0006094800000000, 0.0003195900000000 ] - [ -0.0002841100000000, 0.0008789600000000, 0.0009745000000000 ] - [ -0.0002228200000000, 0.0005484900000000, 0.0006600100000000 ] - [ 0.0038118100000000, 0.0072730400000000, 0.0036202000000000 ] - [ 0.0001094900000000, -0.0004243000000000, -0.0011654700000000 ] - [ 0.0000221100000000, -0.0000027200000000, 0.0002001800000000 ] - [ 0.0000100900000000, 0.0000413900000000, 0.0002086600000000 ] - [ -0.0000242200000000, 0.0000181000000000, -0.0006401200000000 ] - [ -0.0001355600000000, 0.0002485000000000, -0.0009378700000000 ] - [ 0.0002340500000000, 0.0003181800000000, -0.0018103000000000 ] - [ 0.0000990600000000, 0.0002667900000000, -0.0014622600000000 ] - [ 0.0010458600000000, -0.0005537400000000, 0.0001186300000000 ] - [ 0.0011161500000000, -0.0030681400000000, 0.0009822700000000 ] - [ 0.0000550100000000, 0.0000113000000000, -0.0003482300000000 ] - [ -0.0000157300000000, -0.0001868900000000, -0.0003722400000000 ] - [ 0.0011520200000000, 0.0001882900000000, -0.0008953600000000 ] - [ 0.0011624400000000, 0.0001818600000000, -0.0007335000000000 ] - [ -0.0017036800000000, -0.0000518400000000, 0.0018951800000000 ] - [ -0.0012809200000000, 0.0003198200000000, 0.0015414300000000 ] - [ -0.0015035500000000, 0.0010000100000000, 0.0046286100000000 ] - [ 0.0001019400000000, 0.0002618300000000, 0.0009677100000000 ] - [ 0.0737148900000000, 0.2066464300000000, 0.2936100800000000 ] - [ 0.0005397800000000, 0.0010918400000000, 0.0010942100000000 ] - [ -0.0002204800000000, -0.0000911900000000, 0.0004309000000000 ] - [ -0.0002798800000000, -0.0002897400000000, 0.0004368600000000 ] - [ 0.0004721400000000, 0.0069431400000000, 0.0005924100000000 ] - [ -0.0000260600000000, 0.0014358700000000, -0.0002291600000000 ] - [ -0.0006208800000000, 0.0005237400000000, -0.0003458800000000 ] - [ 0.0000665800000000, -0.0007202700000000, 0.0008546700000000 ] - [ 0.0006891000000000, 0.0011714600000000, 0.0016498000000000 ] - [ -0.0000680200000000, -0.0005103100000000, 0.0006897500000000 ] - [ -0.0004458500000000, 0.0009566100000000, -0.0008517700000000 ] - [ -0.0003958600000000, 0.0009698600000000, -0.0008907300000000 ] - [ 0.0016075000000000, -0.0008592800000000, -0.0033787300000000 ] - [ 0.0001460600000000, -0.0000678000000000, -0.0010043100000000 ] - [ -0.0005417100000000, 0.0000906500000000, 0.0007337100000000 ] - [ -0.0000950600000000, -0.0000013700000000, 0.0010077100000000 ] - [ -0.0000405300000000, -0.0005505000000000, 0.0001433700000000 ] - [ 0.0000303500000000, -0.0005491500000000, 0.0002194700000000 ] - [ -0.0796501800000000, -0.2510166400000000, -0.3380547700000000 ] - [ 0.0003136800000000, -0.0004016500000000, -0.0010361300000000 ] - [ 0.0000444500000000, 0.0005667800000000, 0.0009458700000000 ] - [ -0.0000317700000000, 0.0005889700000000, 0.0008906300000000 ] - [ 0.0001316000000000, -0.0006238300000000, 0.0002973400000000 ] - [ -0.0002380200000000, -0.0005833000000000, -0.0000879400000000 ] - [ -0.0025816000000000, -0.0025812000000000, -0.0046083100000000 ] - [ -0.0019649400000000, -0.0002509100000000, -0.0012584500000000 ] - [ -0.0035104200000000, -0.0067838800000000, 0.0024750100000000 ] - [ 0.0002304400000000, -0.0003990300000000, 0.0003254600000000 ] - [ -0.0002981200000000, 0.0006304500000000, 0.0016431700000000 ] - [ -0.0000384300000000, 0.0002982900000000, 0.0012602200000000 ] - [ -0.0009557600000000, -0.0009103000000000, 0.0005862500000000 ] - [ 0.0000834500000000, 0.0006607200000000, 0.0000221200000000 ] - [ -0.0001130400000000, 0.0021496000000000, -0.0041644200000000 ] - [ -0.0009539100000000, -0.0001138800000000, -0.0009685600000000 ] - [ -0.0031673600000000, 0.0000018700000000, 0.0000130500000000 ] - [ 0.0013932400000000, 0.0008680100000000, 0.0012447100000000 ] - [ -0.0001148200000000, 0.0002408700000000, 0.0010998000000000 ] - [ 0.0003348300000000, -0.0006807400000000, -0.0001639100000000 ] - [ 0.0005504600000000, -0.0005787000000000, 0.0012525100000000 ] - [ 0.0008850100000000, -0.0005713500000000, 0.0012418700000000 ] - [ -0.0012513200000000, 0.0008040000000000, 0.0002184900000000 ] - [ 0.0009284000000000, 0.0007369200000000, 0.0013185600000000 ] - [ -0.0012971600000000, -0.0007901300000000, -0.0017727300000000 ] - [ 0.0022861000000000, -0.0040731300000000, -0.0015135600000000 ] - [ 0.0000140400000000, -0.0001079600000000, 0.0002434700000000 ] - [ 0.0006594900000000, -0.0002965200000000, 0.0008788800000000 ] - [ -0.0004198500000000, -0.0002664000000000, -0.0023352200000000 ] - [ 0.0001190500000000, -0.0002672500000000, -0.0010820000000000 ] - [ -0.0000913000000000, 0.0009188700000000, 0.0009879900000000 ] - [ 0.0004213500000000, 0.0005642600000000, 0.0006533900000000 ] - [ 0.0002880700000000, -0.0001882600000000, 0.0007982600000000 ] - [ 0.0002984300000000, -0.0006502500000000, -0.0002553500000000 ] - [ 0.0001635400000000, 0.0006173200000000, 0.0006325700000000 ] - [ 0.0000301500000000, 0.0006224200000000, 0.0003355800000000 ] - [ 0.0273647800000000, 0.0455293600000000, 0.0252017500000000 ] - [ -0.0009382800000000, -0.0008503400000000, -0.0011689600000000 ] - [ -0.0020931900000000, -0.0042611800000000, -0.0029986100000000 ] - [ 0.0012663600000000, -0.0008731800000000, 0.0001833100000000 ] - [ -0.0005987400000000, -0.0007067700000000, -0.0008648200000000 ] - [ 0.0009251700000000, 0.0003916300000000, -0.0007583400000000 ] - [ -0.0009281900000000, 0.0000942500000000, 0.0013109600000000 ] - [ -0.0007975500000000, 0.0000822200000000, 0.0011506700000000 ] - [ 0.0010519700000000, 0.0002212100000000, -0.0020984300000000 ] - [ 0.0018359700000000, 0.0003384000000000, -0.0011137600000000 ] - [ -0.0006724300000000, -0.0002053100000000, 0.0008040300000000 ] - [ -0.0002083000000000, -0.0002186100000000, 0.0007270800000000 ] - [ 0.0015268300000000, 0.0016957300000000, 0.0000768400000000 ] - [ -0.0010653700000000, 0.0014493100000000, -0.0009674500000000 ] - [ -0.0005657000000000, -0.0001807200000000, 0.0016349000000000 ] - [ -0.0001568100000000, -0.0001122400000000, 0.0015020000000000 ] - [ -0.0004481400000000, -0.0002938000000000, 0.0006805100000000 ] - [ 0.0000007300000000, -0.0002476400000000, 0.0007092500000000 ] - [ 0.0002148100000000, -0.0002904400000000, 0.0012855300000000 ] - [ 0.0003020100000000, -0.0002776700000000, 0.0008728000000000 ] - [ 0.0013077600000000, 0.0007984600000000, 0.0012039300000000 ] - [ 0.0002059400000000, 0.0005719300000000, -0.0003120600000000 ]- atom: 79 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0003465200000000, -0.0008893500000000, 0.0016090800000000 ] - [ 0.0002295600000000, -0.0008651300000000, 0.0011269800000000 ] - [ 0.0049459800000000, -0.0055483700000000, 0.0026890200000000 ] - [ -0.0004551800000000, 0.0005170900000000, -0.0004980000000000 ] - [ 0.0039579700000000, 0.0061717500000000, -0.0046266100000000 ] - [ -0.0005461700000000, 0.0008446600000000, -0.0009109700000000 ] - [ -0.0003180500000000, 0.0008094500000000, 0.0014772100000000 ] - [ 0.0003582100000000, 0.0007687800000000, 0.0005898400000000 ] - [ -0.0004909400000000, -0.0006263100000000, 0.0016911500000000 ] - [ -0.0001494300000000, -0.0005931400000000, 0.0013636100000000 ] - [ -0.0005317800000000, 0.0007029200000000, 0.0017852500000000 ] - [ 0.0000263400000000, 0.0010457200000000, 0.0022675300000000 ] - [ 0.0036506600000000, 0.0052037200000000, -0.0052323500000000 ] - [ -0.0002416500000000, -0.0004435600000000, -0.0015277700000000 ] - [ -0.0000627000000000, 0.0005212600000000, 0.0004949900000000 ] - [ 0.0004156800000000, 0.0005149400000000, 0.0005851400000000 ] - [ 0.0016580900000000, -0.0018642800000000, -0.0052726200000000 ] - [ -0.0010150200000000, -0.0008368700000000, -0.0011501200000000 ] - [ -0.0058038000000000, 0.0022435500000000, 0.0045808100000000 ] - [ 0.0010266600000000, -0.0006847400000000, -0.0002590600000000 ] - [ 0.0105167400000000, -0.0032729900000000, -0.0119540800000000 ] - [ 0.0004481800000000, 0.0009138500000000, -0.0017315300000000 ] - [ -0.0003577200000000, -0.0004191000000000, 0.0005690700000000 ] - [ 0.0009127900000000, -0.0000605500000000, 0.0009555200000000 ] - [ -0.0001094500000000, 0.0008508700000000, 0.0001687100000000 ] - [ -0.0001460600000000, 0.0005990700000000, 0.0001692400000000 ] - [ -0.0001533300000000, 0.0004512200000000, 0.0005583800000000 ] - [ 0.0004779100000000, 0.0004128300000000, 0.0004987900000000 ] - [ -0.0004575400000000, -0.0001283200000000, -0.0007123200000000 ] - [ 0.0002466600000000, -0.0003422900000000, -0.0008031500000000 ] - [ -0.0000816000000000, 0.0002384000000000, 0.0008704500000000 ] - [ -0.0000533500000000, 0.0003136800000000, 0.0004249700000000 ] - [ -0.0006894000000000, -0.0007648600000000, 0.0010831600000000 ] - [ 0.0002948900000000, -0.0006320000000000, 0.0007025300000000 ] - [ -0.0002922100000000, 0.0003772200000000, 0.0001066800000000 ] - [ 0.0003635200000000, 0.0005769600000000, 0.0000369000000000 ] - [ 0.0002460100000000, -0.0005460000000000, 0.0012816700000000 ] - [ -0.0000772600000000, -0.0004728400000000, 0.0004085500000000 ] - [ 0.0003435000000000, -0.0000018300000000, -0.0010302900000000 ] - [ 0.0000612000000000, -0.0004614600000000, -0.0006042700000000 ] - [ 0.0000715300000000, -0.0003378100000000, 0.0005962100000000 ] - [ 0.0000152600000000, -0.0000153200000000, 0.0009181100000000 ] - [ -0.0035909500000000, -0.0067167600000000, -0.0051758700000000 ] - [ 0.0000995700000000, 0.0009607800000000, -0.0004110200000000 ] - [ -0.0000213100000000, 0.0000010600000000, -0.0001992200000000 ] - [ -0.0000102300000000, -0.0000408000000000, -0.0002079400000000 ] - [ 0.0002322300000000, -0.0005508900000000, -0.0009349800000000 ] - [ 0.0003434000000000, -0.0007816900000000, -0.0006396200000000 ] - [ -0.0012358400000000, -0.0002099200000000, 0.0009859000000000 ] - [ -0.0011036300000000, -0.0001588500000000, 0.0006434800000000 ] - [ -0.0006260100000000, 0.0001623100000000, -0.0008457600000000 ] - [ -0.0007011000000000, 0.0026566400000000, -0.0017078200000000 ] - [ 0.0003560800000000, 0.0003867100000000, -0.0003828900000000 ] - [ 0.0004276900000000, 0.0005861800000000, -0.0003569500000000 ] - [ -0.0001425200000000, -0.0002942800000000, 0.0017045800000000 ] - [ -0.0001545900000000, -0.0002885400000000, 0.0015464600000000 ] - [ 0.0006940800000000, -0.0000506800000000, -0.0027077600000000 ] - [ 0.0002729500000000, -0.0004265300000000, -0.0023554400000000 ] - [ 0.0025010300000000, -0.0008888500000000, -0.0037902400000000 ] - [ 0.0009014800000000, -0.0001529800000000, -0.0001440200000000 ] - [ -0.0800811500000000, -0.2167433300000000, -0.3004774800000000 ] - [ -0.0005377200000000, -0.0010861200000000, -0.0010883200000000 ] - [ -0.0001902900000000, -0.0003053400000000, 0.0003019200000000 ] - [ -0.0001343200000000, -0.0001136500000000, 0.0002886300000000 ] - [ -0.0004729300000000, -0.0069627300000000, -0.0005985700000000 ] - [ 0.0000440300000000, -0.0014022200000000, 0.0002316600000000 ] - [ 0.0002116600000000, -0.0001276100000000, 0.0010803100000000 ] - [ -0.0004763800000000, 0.0011133700000000, -0.0001201500000000 ] - [ -0.0008852900000000, -0.0016799100000000, -0.0000514700000000 ] - [ -0.0001391700000000, -0.0000252400000000, 0.0008875900000000 ] - [ 0.0004437100000000, -0.0009520600000000, 0.0008477300000000 ] - [ 0.0003944500000000, -0.0009669300000000, 0.0008880200000000 ] - [ -0.0014689200000000, 0.0009765500000000, 0.0025065500000000 ] - [ -0.0000114600000000, 0.0001923100000000, 0.0001436100000000 ] - [ -0.0002410100000000, -0.0000368900000000, -0.0005124400000000 ] - [ -0.0006867700000000, 0.0000532400000000, -0.0007855200000000 ] - [ 0.0000184200000000, -0.0005792700000000, -0.0009072100000000 ] - [ -0.0000508800000000, -0.0005822300000000, -0.0009832600000000 ] - [ 0.0880812100000000, 0.2615406700000000, 0.3446320400000000 ] - [ 0.0008298400000000, 0.0007504600000000, 0.0015148100000000 ] - [ -0.0000226900000000, 0.0005649600000000, -0.0001774200000000 ] - [ 0.0000525100000000, 0.0005443000000000, -0.0001234000000000 ] - [ -0.0002346600000000, -0.0004807300000000, -0.0003876500000000 ] - [ 0.0001309600000000, -0.0005223200000000, -0.0000035600000000 ] - [ 0.0025854300000000, 0.0037192600000000, 0.0038348100000000 ] - [ 0.0019566400000000, 0.0013666300000000, 0.0004977700000000 ] - [ 0.0035934400000000, 0.0054266900000000, -0.0019463200000000 ] - [ -0.0001331300000000, -0.0009254600000000, 0.0001779500000000 ] - [ -0.0001937900000000, 0.0004133800000000, -0.0003619500000000 ] - [ -0.0004524500000000, 0.0007444300000000, 0.0000189400000000 ] - [ 0.0008435800000000, 0.0022117200000000, -0.0010816300000000 ] - [ -0.0001815400000000, 0.0006631900000000, -0.0005245400000000 ] - [ -0.0010082500000000, -0.0025021300000000, 0.0043175700000000 ] - [ -0.0001650400000000, -0.0002434800000000, 0.0011342000000000 ] - [ 0.0032562400000000, -0.0011076800000000, 0.0000784400000000 ] - [ -0.0012757100000000, -0.0019780000000000, -0.0011416100000000 ] - [ 0.0000185700000000, -0.0015548500000000, -0.0015874200000000 ] - [ -0.0004330500000000, -0.0006422600000000, -0.0003396800000000 ] - [ 0.0005938600000000, 0.0002247900000000, -0.0007629300000000 ] - [ 0.0002601300000000, 0.0002181100000000, -0.0007537200000000 ] - [ 0.0011390800000000, 0.0003041500000000, -0.0003083800000000 ] - [ -0.0010305800000000, 0.0003735500000000, -0.0014076300000000 ] - [ 0.0013001100000000, -0.0003585200000000, 0.0025334000000000 ] - [ -0.0022610500000000, 0.0029564100000000, 0.0022742400000000 ] - [ 0.0007656600000000, 0.0000519900000000, -0.0004603400000000 ] - [ 0.0001251800000000, 0.0002469600000000, -0.0010979300000000 ] - [ 0.0002893700000000, 0.0001440100000000, 0.0031884000000000 ] - [ -0.0002530300000000, 0.0001418900000000, 0.0019336600000000 ] - [ 0.0001887800000000, 0.0004074500000000, -0.0004813200000000 ] - [ -0.0003223300000000, 0.0007598800000000, -0.0001487200000000 ] - [ 0.0002078000000000, -0.0008564100000000, -0.0020658300000000 ] - [ 0.0001916300000000, -0.0003924100000000, -0.0010207000000000 ] - [ -0.0000576800000000, 0.0004892200000000, -0.0005398000000000 ] - [ 0.0000751000000000, 0.0004837200000000, -0.0002426500000000 ] - [ -0.0289719100000000, -0.0463567000000000, -0.0254980500000000 ] - [ -0.0002077200000000, 0.0004962300000000, 0.0006818300000000 ] - [ 0.0015956400000000, 0.0032070900000000, 0.0042617100000000 ] - [ -0.0017579200000000, -0.0001710700000000, 0.0010908600000000 ] - [ 0.0010890100000000, 0.0017408500000000, -0.0004261500000000 ] - [ -0.0004292700000000, 0.0006488300000000, -0.0005188400000000 ] - [ -0.0001980500000000, 0.0002625700000000, -0.0011360400000000 ] - [ -0.0003268700000000, 0.0002747100000000, -0.0009782400000000 ] - [ 0.0000728300000000, 0.0001433600000000, 0.0019221400000000 ] - [ -0.0007126900000000, 0.0000204700000000, 0.0009423600000000 ] - [ -0.0004717800000000, 0.0005551000000000, -0.0012825000000000 ] - [ -0.0009345900000000, 0.0005688000000000, -0.0012081400000000 ] - [ -0.0022982200000000, -0.0017388300000000, 0.0001505400000000 ] - [ 0.0002781700000000, -0.0014973600000000, 0.0011812900000000 ] - [ 0.0004302800000000, 0.0003050200000000, -0.0007737300000000 ] - [ 0.0000227900000000, 0.0002377000000000, -0.0006417500000000 ] - [ 0.0005786500000000, 0.0001666200000000, -0.0015303100000000 ] - [ 0.0001325000000000, 0.0001209300000000, -0.0015620900000000 ] - [ 0.0009069100000000, -0.0000685400000000, -0.0014452400000000 ] - [ 0.0008213800000000, -0.0000797400000000, -0.0010403900000000 ] - [ -0.0005215300000000, -0.0007395700000000, -0.0014224100000000 ] - [ 0.0005757500000000, -0.0005157000000000, 0.0000931100000000 ]- atom: 83 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0005004500000000, -0.0009679100000000, 0.0003463100000000 ] - [ 0.0004824900000000, -0.0009926200000000, -0.0000848200000000 ] - [ 0.0002550200000000, 0.0005460300000000, -0.0009330600000000 ] - [ 0.0002995600000000, 0.0005637800000000, -0.0004375000000000 ] - [ 0.0001931100000000, 0.0004165000000000, 0.0007200000000000 ] - [ -0.0006401000000000, 0.0005029400000000, 0.0002374600000000 ] - [ 0.0015812900000000, 0.0006449700000000, 0.0018661700000000 ] - [ -0.0066859400000000, 0.0021128600000000, -0.0018154300000000 ] - [ 0.0002130900000000, -0.0012431300000000, 0.0010298700000000 ] - [ -0.0008862400000000, -0.0007899900000000, -0.0000700800000000 ] - [ 0.0000152600000000, 0.0009648300000000, 0.0013101300000000 ] - [ -0.0007245600000000, 0.0005519400000000, 0.0000822600000000 ] - [ 0.0002308100000000, -0.0005002500000000, -0.0017093800000000 ] - [ 0.0001565500000000, -0.0004959900000000, 0.0001743300000000 ] - [ -0.0009042400000000, 0.0010755700000000, 0.0000671900000000 ] - [ 0.0026783300000000, 0.0024228900000000, -0.0041757200000000 ] - [ 0.0033818200000000, -0.0002469700000000, 0.0041261700000000 ] - [ -0.0018692600000000, -0.0000524700000000, 0.0003435000000000 ] - [ 0.0001232200000000, -0.0007476700000000, -0.0001330300000000 ] - [ -0.0000619000000000, -0.0008695400000000, -0.0004931000000000 ] - [ 0.0003629400000000, 0.0008736200000000, -0.0007712800000000 ] - [ -0.0005040100000000, 0.0005372400000000, 0.0009473800000000 ] - [ -0.0013567000000000, -0.0013025500000000, -0.0003077400000000 ] - [ 0.0039014400000000, -0.0022571000000000, -0.0003482900000000 ] - [ -0.0001462100000000, 0.0005353600000000, 0.0000201500000000 ] - [ -0.0001155800000000, 0.0005418600000000, 0.0001061400000000 ] - [ 0.0001139800000000, 0.0005347700000000, -0.0000872000000000 ] - [ 0.0000724000000000, 0.0004691000000000, -0.0004833600000000 ] - [ -0.0007900400000000, -0.0006536600000000, -0.0005047100000000 ] - [ 0.0022438600000000, -0.0008654800000000, -0.0001840200000000 ] - [ -0.0002238400000000, 0.0003319900000000, -0.0001937100000000 ] - [ 0.0002334100000000, 0.0003560300000000, -0.0001714300000000 ] - [ -0.0004734200000000, -0.0002579400000000, 0.0004390700000000 ] - [ -0.0021293000000000, -0.0029281800000000, -0.0000210700000000 ] - [ 0.0000991100000000, 0.0003491500000000, 0.0000915000000000 ] - [ -0.0000372700000000, 0.0003859000000000, -0.0001615100000000 ] - [ 0.0030378500000000, -0.0023329000000000, 0.0004301300000000 ] - [ -0.0006842000000000, -0.0002945100000000, 0.0000487800000000 ] - [ 0.0049535400000000, 0.0003420400000000, 0.0024694100000000 ] - [ -0.0005246000000000, -0.0004424800000000, -0.0000230000000000 ] - [ 0.0025027200000000, -0.0038986800000000, 0.0030689700000000 ] - [ -0.0002988600000000, 0.0014626500000000, 0.0000325200000000 ] - [ 0.0013025900000000, 0.0024563700000000, 0.0004587300000000 ] - [ -0.0002532300000000, -0.0002028300000000, -0.0012176100000000 ] - [ -0.0002245200000000, 0.0006556500000000, 0.0000014400000000 ] - [ 0.0007001400000000, -0.0028313600000000, 0.0000619400000000 ] - [ 0.0000304900000000, -0.0000246800000000, -0.0009178000000000 ] - [ -0.0003432700000000, 0.0003644300000000, -0.0008628500000000 ] - [ -0.0012900800000000, -0.0001533100000000, 0.0002417700000000 ] - [ 0.0000501200000000, 0.0002560600000000, -0.0012451700000000 ] - [ 0.0011648000000000, -0.0018367100000000, 0.0002625000000000 ] - [ 0.0000827100000000, 0.0001858500000000, -0.0005432700000000 ] - [ 0.0002456700000000, 0.0002744700000000, -0.0003284200000000 ] - [ 0.0000641600000000, -0.0000803500000000, -0.0004442300000000 ] - [ 0.0003155500000000, -0.0001430800000000, 0.0009453700000000 ] - [ 0.0015425100000000, 0.0005627300000000, -0.0015424700000000 ] - [ -0.0006955100000000, -0.0000868200000000, -0.0005160600000000 ] - [ -0.0003493400000000, -0.0001008600000000, -0.0005114100000000 ] - [ 0.0010774500000000, -0.0000938600000000, -0.0005640200000000 ] - [ 0.0002661400000000, 0.0001132300000000, 0.0009043200000000 ] - [ -0.0000217800000000, 0.0000043500000000, 0.0000238800000000 ] - [ 0.0000087300000000, -0.0000102600000000, -0.0000192200000000 ] - [ -0.0008632900000000, -0.0025835500000000, -0.0006081100000000 ] - [ 0.1703558800000000, 0.2139549800000000, 0.0946228700000000 ] - [ 0.0000510700000000, 0.0000879900000000, 0.0000893200000000 ] - [ -0.0000080500000000, -0.0000359300000000, -0.0000582300000000 ] - [ -0.0003795500000000, 0.0005163500000000, 0.0003142300000000 ] - [ -0.0001610000000000, 0.0001167300000000, 0.0003587500000000 ] - [ -0.0001058800000000, -0.0002467500000000, 0.0007895500000000 ] - [ -0.0002011500000000, -0.0004632600000000, 0.0007375800000000 ] - [ 0.0012977400000000, -0.0016240600000000, 0.0018174400000000 ] - [ -0.0004887300000000, 0.0011852500000000, -0.0010658300000000 ] - [ -0.0003323800000000, 0.0002349500000000, 0.0003024400000000 ] - [ 0.0003052100000000, -0.0000080400000000, -0.0008355500000000 ] - [ -0.0004784600000000, 0.0000369400000000, -0.0000790800000000 ] - [ -0.0002741700000000, 0.0001821500000000, 0.0004258300000000 ] - [ 0.0005897200000000, -0.0008476000000000, -0.0004513900000000 ] - [ -0.0008244600000000, 0.0009818400000000, -0.0004256000000000 ] - [ 0.0001836000000000, 0.0002729900000000, 0.0002938200000000 ] - [ 0.0008992200000000, 0.0001286300000000, 0.0001676400000000 ] - [ -0.0013251400000000, 0.0013844200000000, -0.0025322900000000 ] - [ 0.0006954700000000, 0.0002215700000000, 0.0007382500000000 ] - [ -0.1812240800000000, -0.2538671400000000, -0.1147877500000000 ] - [ 0.0013630600000000, 0.0005252900000000, 0.0002674600000000 ] - [ 0.0000619900000000, 0.0005244400000000, -0.0002038600000000 ] - [ -0.0000779100000000, 0.0006444500000000, -0.0005436300000000 ] - [ -0.0008722700000000, -0.0025910700000000, 0.0001638100000000 ] - [ 0.0016403400000000, 0.0000809200000000, -0.0000347100000000 ] - [ -0.0000107700000000, 0.0004192100000000, 0.0006805100000000 ] - [ -0.0005114700000000, 0.0000332200000000, 0.0016556300000000 ] - [ -0.0000344800000000, 0.0006584200000000, -0.0002459300000000 ] - [ -0.0000281600000000, 0.0007613000000000, -0.0000782000000000 ] - [ -0.0005152000000000, 0.0001400500000000, 0.0010656900000000 ] - [ -0.0003875100000000, -0.0003062400000000, -0.0004828200000000 ] - [ 0.0006060100000000, -0.0007662100000000, 0.0001744100000000 ] - [ -0.0005474700000000, 0.0016315800000000, -0.0014132400000000 ] - [ 0.0014313300000000, 0.0036818600000000, -0.0011520500000000 ] - [ 0.0012242200000000, -0.0024872700000000, 0.0000756700000000 ] - [ -0.0000131400000000, 0.0010933400000000, -0.0012436700000000 ] - [ 0.0009256800000000, -0.0010491200000000, 0.0014155400000000 ] - [ -0.0001258500000000, 0.0005693200000000, -0.0001089200000000 ] - [ 0.0000899300000000, 0.0004273900000000, 0.0001966600000000 ] - [ 0.0000031800000000, -0.0005194700000000, 0.0001720200000000 ] - [ 0.0001867400000000, -0.0006924100000000, 0.0006489200000000 ] - [ 0.0029151200000000, 0.0001351100000000, 0.0005880900000000 ] - [ -0.0057672800000000, 0.0408744600000000, 0.0178974200000000 ] - [ -0.0011277200000000, -0.0001778000000000, 0.0008916600000000 ] - [ 0.0002678300000000, -0.0000426800000000, 0.0006201100000000 ] - [ 0.0001896500000000, 0.0005118600000000, 0.0002497400000000 ] - [ 0.0002888000000000, 0.0002674200000000, 0.0005329500000000 ] - [ -0.0017642800000000, 0.0018854700000000, -0.0019195000000000 ] - [ 0.0012333100000000, -0.0014354600000000, -0.0000156300000000 ] - [ 0.0002950400000000, 0.0006514800000000, 0.0002462400000000 ] - [ -0.0001152000000000, 0.0005635400000000, -0.0000933400000000 ] - [ -0.0006608900000000, -0.0002903700000000, -0.0001585500000000 ] - [ -0.0005181500000000, -0.0001470300000000, -0.0002468100000000 ] - [ 0.0010138200000000, -0.0035111500000000, 0.0017087900000000 ] - [ 0.0007792100000000, 0.0002516000000000, -0.0002540900000000 ] - [ 0.0001996700000000, 0.0005537100000000, -0.0006743200000000 ] - [ 0.0003502600000000, 0.0006105900000000, -0.0004765100000000 ] - [ -0.0001451500000000, 0.0002329600000000, -0.0001961500000000 ] - [ -0.0015351600000000, 0.0001977400000000, 0.0014158800000000 ] - [ 0.0003397100000000, 0.0002626600000000, 0.0003421700000000 ] - [ 0.0006434700000000, 0.0001962000000000, 0.0000792600000000 ] - [ 0.0010530400000000, 0.0022658700000000, -0.0030506300000000 ] - [ -0.0007462300000000, -0.0012653900000000, 0.0011147600000000 ] - [ -0.0023639400000000, 0.0014335300000000, -0.0002226600000000 ] - [ 0.0001760300000000, -0.0001492700000000, 0.0002823800000000 ] - [ 0.0001299400000000, 0.0000494100000000, 0.0002068200000000 ] - [ 0.0000108300000000, 0.0000222300000000, 0.0010558800000000 ] - [ 0.0004647600000000, 0.0000632900000000, -0.0007695600000000 ] - [ -0.0002708700000000, 0.0011932000000000, 0.0012080100000000 ] - [ -0.0009479300000000, -0.0011688400000000, -0.0010918600000000 ] - [ 0.0014344800000000, -0.0000458600000000, 0.0008776800000000 ] - [ 0.0004767200000000, -0.0001299600000000, 0.0002295200000000 ] - [ 0.0003329300000000, 0.0000429700000000, -0.0002363600000000 ]- atom: 83 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0004252400000000, -0.0006645400000000, -0.0000956400000000 ] - [ -0.0005643900000000, -0.0006410800000000, 0.0003394300000000 ] - [ 0.0002971700000000, 0.0006092900000000, -0.0002256200000000 ] - [ 0.0002530600000000, 0.0005918900000000, -0.0007245900000000 ] - [ -0.0006790100000000, 0.0007107800000000, 0.0001708400000000 ] - [ 0.0001552400000000, 0.0006252800000000, 0.0006558500000000 ] - [ -0.0018138500000000, 0.0011028800000000, -0.0019589400000000 ] - [ 0.0067589900000000, -0.0005183500000000, 0.0015411100000000 ] - [ -0.0007028000000000, 0.0001162700000000, -0.0001397000000000 ] - [ 0.0004051700000000, -0.0003345200000000, 0.0009610500000000 ] - [ -0.0005703900000000, 0.0001888500000000, -0.0001553800000000 ] - [ 0.0001740600000000, 0.0006029200000000, 0.0010807000000000 ] - [ 0.0002516000000000, -0.0006265300000000, 0.0008225400000000 ] - [ 0.0003314600000000, -0.0006329000000000, -0.0010673000000000 ] - [ 0.0014033500000000, 0.0000477000000000, -0.0009659100000000 ] - [ -0.0022170800000000, -0.0013011900000000, 0.0033250700000000 ] - [ -0.0039460900000000, -0.0008884000000000, -0.0030193500000000 ] - [ 0.0013256300000000, -0.0011056000000000, 0.0008199100000000 ] - [ -0.0000435600000000, -0.0008863800000000, -0.0001220600000000 ] - [ 0.0001414000000000, -0.0007645300000000, 0.0002418000000000 ] - [ -0.0004460400000000, 0.0007563300000000, 0.0010288700000000 ] - [ 0.0004282700000000, 0.0011033100000000, -0.0006943600000000 ] - [ 0.0019133900000000, 0.0001515100000000, -0.0008531100000000 ] - [ -0.0033511100000000, 0.0011038900000000, -0.0008179700000000 ] - [ -0.0001333000000000, 0.0005325200000000, 0.0002648300000000 ] - [ -0.0001642100000000, 0.0005260400000000, 0.0001795500000000 ] - [ 0.0001663400000000, 0.0005329800000000, -0.0001991700000000 ] - [ 0.0002071700000000, 0.0005990900000000, 0.0002005000000000 ] - [ 0.0007107700000000, -0.0000770800000000, 0.0004156100000000 ] - [ -0.0022607800000000, 0.0000797700000000, 0.0000210600000000 ] - [ 0.0001445700000000, 0.0004016600000000, 0.0001029900000000 ] - [ -0.0003167800000000, 0.0003774100000000, 0.0000783900000000 ] - [ 0.0001960900000000, -0.0008155100000000, -0.0001546700000000 ] - [ 0.0018661300000000, 0.0018926200000000, 0.0003093800000000 ] - [ -0.0000175600000000, 0.0003839600000000, -0.0000007300000000 ] - [ 0.0001189800000000, 0.0003478300000000, 0.0002553600000000 ] - [ -0.0029819700000000, 0.0016156900000000, -0.0003364300000000 ] - [ 0.0007697200000000, -0.0004378500000000, 0.0000424400000000 ] - [ -0.0047799300000000, -0.0015324100000000, -0.0029709300000000 ] - [ 0.0008043700000000, -0.0006270100000000, -0.0002610800000000 ] - [ -0.0027110400000000, 0.0044361500000000, -0.0014941700000000 ] - [ 0.0000894200000000, -0.0009208500000000, 0.0015408000000000 ] - [ -0.0011020000000000, -0.0019243600000000, -0.0020430300000000 ] - [ 0.0004487200000000, 0.0007203700000000, -0.0003686400000000 ] - [ 0.0002274700000000, -0.0006636400000000, -0.0000019500000000 ] - [ -0.0007009300000000, 0.0028405100000000, -0.0000612400000000 ] - [ 0.0001776800000000, -0.0005100000000000, -0.0006601000000000 ] - [ 0.0005532800000000, -0.0009005300000000, -0.0007159600000000 ] - [ 0.0002883200000000, 0.0002622600000000, -0.0010629400000000 ] - [ -0.0010672500000000, -0.0001524900000000, 0.0004486300000000 ] - [ -0.0007639900000000, 0.0014480500000000, -0.0009961400000000 ] - [ 0.0003314200000000, -0.0005899200000000, -0.0001853600000000 ] - [ 0.0001676600000000, 0.0001275800000000, -0.0004010900000000 ] - [ 0.0003506800000000, 0.0004853800000000, -0.0002838300000000 ] - [ 0.0006962000000000, 0.0000377900000000, -0.0001419900000000 ] - [ -0.0005389400000000, -0.0006733100000000, 0.0023628400000000 ] - [ -0.0003105500000000, -0.0000204600000000, -0.0002961600000000 ] - [ -0.0006605000000000, -0.0000050800000000, -0.0002970200000000 ] - [ -0.0000688600000000, 0.0002003500000000, 0.0013746600000000 ] - [ 0.0007430500000000, -0.0000069900000000, -0.0000945000000000 ] - [ 0.0000219200000000, -0.0000053700000000, -0.0000240500000000 ] - [ -0.0000077200000000, 0.0000120100000000, 0.0000210500000000 ] - [ 0.0004571400000000, 0.0022031900000000, 0.0013463800000000 ] - [ -0.1714148600000000, -0.2085060400000000, -0.0912775600000000 ] - [ -0.0000511200000000, -0.0000889100000000, -0.0000899400000000 ] - [ 0.0000093100000000, 0.0000408300000000, 0.0000593200000000 ] - [ -0.0000333000000000, -0.0001145600000000, 0.0004147700000000 ] - [ -0.0002530100000000, 0.0002870000000000, 0.0003702000000000 ] - [ -0.0000990300000000, -0.0002819900000000, 0.0007918000000000 ] - [ -0.0000042500000000, -0.0000667900000000, 0.0008427200000000 ] - [ -0.0013073500000000, 0.0016369200000000, -0.0018326200000000 ] - [ 0.0004896200000000, -0.0011921700000000, 0.0010733000000000 ] - [ 0.0004635100000000, -0.0001073100000000, -0.0011534400000000 ] - [ -0.0001748700000000, 0.0001363200000000, -0.0000152800000000 ] - [ -0.0003029600000000, 0.0000150600000000, 0.0002967800000000 ] - [ -0.0005089600000000, -0.0001326200000000, -0.0002108200000000 ] - [ -0.0006155400000000, -0.0002816800000000, -0.0003132800000000 ] - [ 0.0008064800000000, -0.0021237600000000, -0.0003399900000000 ] - [ 0.0009641700000000, 0.0000792500000000, 0.0001928900000000 ] - [ 0.0002443600000000, 0.0002252700000000, 0.0003172500000000 ] - [ 0.0013603400000000, -0.0002494300000000, 0.0033090500000000 ] - [ -0.0006794400000000, 0.0009185900000000, 0.0000212500000000 ] - [ 0.1825898000000000, 0.2467017900000000, 0.1121166200000000 ] - [ -0.0014766300000000, -0.0016361800000000, -0.0003596600000000 ] - [ -0.0000832300000000, 0.0006104700000000, -0.0005622500000000 ] - [ 0.0000558600000000, 0.0004897700000000, -0.0002212500000000 ] - [ 0.0009685900000000, 0.0012773900000000, 0.0003308000000000 ] - [ -0.0015461000000000, -0.0013954100000000, 0.0005544800000000 ] - [ -0.0004805200000000, 0.0006221600000000, 0.0005991000000000 ] - [ 0.0000233700000000, 0.0010109300000000, -0.0003814800000000 ] - [ -0.0000636500000000, 0.0006651700000000, -0.0002601800000000 ] - [ -0.0000681100000000, 0.0005647400000000, -0.0004273300000000 ] - [ -0.0006083600000000, -0.0004968700000000, -0.0008955600000000 ] - [ -0.0007370500000000, -0.0000515300000000, 0.0006531000000000 ] - [ -0.0005049000000000, -0.0003350100000000, -0.0000842300000000 ] - [ 0.0006565600000000, -0.0027534700000000, 0.0015130500000000 ] - [ -0.0015267400000000, -0.0050207500000000, 0.0006408200000000 ] - [ -0.0013007300000000, 0.0011458100000000, -0.0005762200000000 ] - [ 0.0011644700000000, -0.0014599300000000, 0.0017435300000000 ] - [ 0.0002179200000000, 0.0006987300000000, -0.0009353200000000 ] - [ 0.0000234700000000, 0.0005335200000000, 0.0000185200000000 ] - [ -0.0001917700000000, 0.0006738800000000, -0.0002883400000000 ] - [ 0.0000166400000000, -0.0006176900000000, 0.0005951400000000 ] - [ -0.0001653400000000, -0.0004429900000000, 0.0001140800000000 ] - [ -0.0021548100000000, -0.0001898700000000, -0.0008137200000000 ] - [ 0.0061260100000000, -0.0406715900000000, -0.0180001100000000 ] - [ 0.0009959600000000, 0.0000531100000000, -0.0000327200000000 ] - [ -0.0003979300000000, -0.0000857900000000, 0.0002259800000000 ] - [ -0.0000942400000000, 0.0008168000000000, 0.0002552900000000 ] - [ -0.0001928000000000, 0.0010611900000000, -0.0000295600000000 ] - [ 0.0022576600000000, -0.0029306300000000, 0.0006424800000000 ] - [ -0.0007415900000000, 0.0003808500000000, -0.0012578300000000 ] - [ -0.0001937300000000, 0.0004511100000000, -0.0001556400000000 ] - [ 0.0002188200000000, 0.0005384400000000, 0.0001850900000000 ] - [ -0.0004826400000000, -0.0000625000000000, -0.0003258600000000 ] - [ -0.0006260900000000, -0.0002067400000000, -0.0002379700000000 ] - [ -0.0015108000000000, 0.0024802700000000, -0.0004422700000000 ] - [ -0.0012602300000000, -0.0012777000000000, 0.0015317200000000 ] - [ 0.0002894000000000, 0.0004862300000000, -0.0006046900000000 ] - [ 0.0001386300000000, 0.0004281000000000, -0.0008042000000000 ] - [ -0.0009830600000000, 0.0001234200000000, 0.0003700900000000 ] - [ 0.0004155000000000, 0.0001594100000000, -0.0012505800000000 ] - [ 0.0007833800000000, 0.0000952100000000, -0.0005105300000000 ] - [ 0.0004812800000000, 0.0001614100000000, -0.0002498200000000 ] - [ -0.0022155300000000, -0.0019326300000000, 0.0025891300000000 ] - [ -0.0003968900000000, 0.0016376700000000, -0.0015988400000000 ] - [ 0.0015852600000000, -0.0015006100000000, 0.0004381700000000 ] - [ -0.0009591600000000, 0.0000973400000000, -0.0000678900000000 ] - [ -0.0002619100000000, 0.0000773900000000, 0.0006475700000000 ] - [ -0.0001395600000000, 0.0001069800000000, -0.0002108400000000 ] - [ -0.0003373700000000, -0.0001924300000000, -0.0000764000000000 ] - [ 0.0004047400000000, -0.0013304100000000, -0.0020673300000000 ] - [ 0.0020772700000000, 0.0008206500000000, 0.0009368400000000 ] - [ -0.0003182600000000, -0.0003114800000000, -0.0010641300000000 ] - [ 0.0003050400000000, 0.0001837600000000, -0.0004472300000000 ] - [ 0.0004504600000000, 0.0000073200000000, 0.0000214200000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002346600000000, -0.0008392500000000, 0.0000777400000000 ] - [ 0.0002197400000000, -0.0009895000000000, 0.0005242600000000 ] - [ 0.0002366500000000, 0.0004372800000000, -0.0007521700000000 ] - [ 0.0002959200000000, 0.0003852200000000, -0.0005846200000000 ] - [ -0.0000465500000000, -0.0000109800000000, -0.0004234900000000 ] - [ -0.0003110400000000, 0.0004849900000000, 0.0002662300000000 ] - [ -0.0037598800000000, 0.0054892000000000, 0.0014334400000000 ] - [ -0.0037825500000000, 0.0075342300000000, 0.0003736600000000 ] - [ -0.0004530500000000, -0.0016486200000000, 0.0010823400000000 ] - [ -0.0002248700000000, -0.0016261700000000, 0.0007078800000000 ] - [ -0.0002730200000000, 0.0011266800000000, 0.0010186500000000 ] - [ -0.0003508200000000, 0.0011144900000000, 0.0004173600000000 ] - [ -0.0000345600000000, -0.0001845300000000, -0.0006533000000000 ] - [ 0.0004671800000000, -0.0001134500000000, -0.0001232500000000 ] - [ -0.0003856600000000, 0.0008819900000000, -0.0004642300000000 ] - [ 0.0031885900000000, 0.0032699800000000, -0.0084325200000000 ] - [ 0.0010235800000000, -0.0012226200000000, 0.0099942600000000 ] - [ -0.0007011800000000, -0.0006784600000000, 0.0008482000000000 ] - [ 0.0000370800000000, -0.0006223400000000, -0.0002848400000000 ] - [ 0.0000365800000000, -0.0009398900000000, -0.0004650000000000 ] - [ -0.0004319500000000, -0.0004044800000000, -0.0006529200000000 ] - [ 0.0002946600000000, -0.0004575800000000, -0.0001132400000000 ] - [ -0.0002876700000000, -0.0003937200000000, 0.0000253400000000 ] - [ -0.0005951300000000, -0.0011655100000000, 0.0014590900000000 ] - [ -0.0002045500000000, 0.0005475700000000, -0.0000434300000000 ] - [ -0.0000417100000000, 0.0006180000000000, 0.0000364500000000 ] - [ 0.0001788400000000, 0.0004542700000000, -0.0002554800000000 ] - [ 0.0001447600000000, 0.0002953600000000, -0.0004896700000000 ] - [ -0.0004644500000000, -0.0000440300000000, -0.0003088300000000 ] - [ 0.0013945200000000, 0.0006161700000000, -0.0020083400000000 ] - [ -0.0002110900000000, 0.0002530600000000, -0.0002735100000000 ] - [ 0.0000768700000000, 0.0001833800000000, -0.0002388400000000 ] - [ -0.0001293500000000, -0.0009494000000000, 0.0002440000000000 ] - [ -0.0033649300000000, -0.0065450300000000, 0.0000224900000000 ] - [ 0.0000897700000000, 0.0003767600000000, -0.0000932700000000 ] - [ -0.0000450200000000, 0.0004440700000000, -0.0001132500000000 ] - [ 0.0034529300000000, -0.0047949100000000, 0.0002008000000000 ] - [ -0.0003570700000000, -0.0009103800000000, 0.0001664200000000 ] - [ 0.0019063500000000, 0.0022648000000000, 0.0021479600000000 ] - [ 0.0003107700000000, -0.0000756300000000, -0.0002025000000000 ] - [ 0.0013477500000000, -0.0016563600000000, 0.0018925800000000 ] - [ 0.0005335300000000, -0.0023713600000000, 0.0022103700000000 ] - [ 0.0013545900000000, 0.0027416400000000, 0.0005192800000000 ] - [ 0.0006941400000000, 0.0020092200000000, 0.0004644800000000 ] - [ -0.0003020000000000, 0.0013425300000000, -0.0000822600000000 ] - [ -0.0004475200000000, 0.0007415000000000, -0.0004389900000000 ] - [ -0.0000615900000000, 0.0001165900000000, -0.0009422200000000 ] - [ -0.0007331700000000, 0.0010969600000000, -0.0010855800000000 ] - [ -0.0005079800000000, 0.0004164600000000, -0.0014085900000000 ] - [ 0.0006918900000000, 0.0005365000000000, -0.0024195900000000 ] - [ 0.0045656100000000, -0.0064404500000000, 0.0032246300000000 ] - [ 0.0003140000000000, -0.0003937000000000, -0.0002952500000000 ] - [ 0.0001635700000000, 0.0001190400000000, -0.0003939000000000 ] - [ 0.0001807600000000, 0.0001405800000000, -0.0003498400000000 ] - [ 0.0003286000000000, -0.0000873800000000, 0.0008882800000000 ] - [ 0.0001474900000000, 0.0010039500000000, 0.0007438600000000 ] - [ 0.0002340100000000, -0.0005790900000000, -0.0013748300000000 ] - [ -0.0004892600000000, -0.0000774700000000, -0.0003488800000000 ] - [ 0.0009080300000000, -0.0000851700000000, -0.0002350500000000 ] - [ 0.0006403400000000, -0.0000383300000000, -0.0000782900000000 ] - [ 0.0000292100000000, 0.0001728500000000, 0.0000677200000000 ] - [ -0.0000487700000000, -0.0000250200000000, -0.0000683600000000 ] - [ -0.0003669300000000, -0.0011391800000000, -0.0001092800000000 ] - [ 0.2198315100000000, 0.4646393300000000, 0.1822221500000000 ] - [ -0.0000723800000000, -0.0003579700000000, -0.0000200500000000 ] - [ -0.0002472000000000, -0.0009233900000000, -0.0002358800000000 ] - [ -0.0003390800000000, 0.0004740900000000, 0.0003040900000000 ] - [ -0.0002479000000000, 0.0002531700000000, 0.0003364200000000 ] - [ -0.0002352800000000, -0.0004919800000000, 0.0007201000000000 ] - [ -0.0002049600000000, -0.0004466900000000, 0.0007245900000000 ] - [ 0.0000427200000000, -0.0002390300000000, 0.0001738200000000 ] - [ -0.0001141200000000, -0.0014453900000000, 0.0000952000000000 ] - [ -0.0000785700000000, 0.0001843200000000, 0.0000785400000000 ] - [ -0.0001302700000000, 0.0001506400000000, 0.0000269600000000 ] - [ -0.0003764600000000, 0.0001288300000000, 0.0000453700000000 ] - [ -0.0004081400000000, 0.0001773700000000, 0.0001767300000000 ] - [ 0.0002911700000000, -0.0013878100000000, -0.0005192100000000 ] - [ 0.0008576000000000, -0.0012846900000000, -0.0019690700000000 ] - [ 0.0002899600000000, 0.0008707100000000, 0.0000632800000000 ] - [ 0.0005950700000000, 0.0004194600000000, 0.0002181600000000 ] - [ -0.0002416300000000, -0.0012594200000000, -0.0012940900000000 ] - [ 0.0004480900000000, -0.0002750200000000, 0.0012274500000000 ] - [ -0.2592519100000000, -0.5315576900000000, -0.2197386100000000 ] - [ 0.0010359400000000, -0.0004687500000000, -0.0002152000000000 ] - [ 0.0000805600000000, 0.0008268900000000, -0.0001801300000000 ] - [ 0.0000001100000000, 0.0012197100000000, -0.0002201500000000 ] - [ -0.0019905600000000, -0.0011349400000000, -0.0008697100000000 ] - [ 0.0009924600000000, -0.0014261800000000, -0.0018288800000000 ] - [ -0.0000696000000000, 0.0003045100000000, 0.0008767300000000 ] - [ -0.0003578400000000, -0.0003317400000000, 0.0024053400000000 ] - [ 0.0000556400000000, 0.0008108200000000, -0.0001415100000000 ] - [ -0.0000392800000000, 0.0008182400000000, -0.0001487100000000 ] - [ -0.0003640500000000, -0.0000712500000000, 0.0007925200000000 ] - [ -0.0010398200000000, -0.0000678400000000, 0.0005806100000000 ] - [ 0.0002680000000000, -0.0001615200000000, 0.0000895700000000 ] - [ -0.0021482400000000, 0.0064323400000000, -0.0027253300000000 ] - [ 0.0019629300000000, 0.0013951000000000, -0.0009053400000000 ] - [ -0.0038306800000000, 0.0007058300000000, -0.0012072000000000 ] - [ 0.0007190300000000, -0.0000307400000000, 0.0000281300000000 ] - [ 0.0004746200000000, 0.0003787000000000, 0.0000128300000000 ] - [ -0.0000690200000000, 0.0005429700000000, 0.0000355700000000 ] - [ 0.0000736300000000, 0.0004588800000000, 0.0001976700000000 ] - [ 0.0003850500000000, -0.0000543400000000, -0.0001325600000000 ] - [ 0.0001570200000000, -0.0003641300000000, 0.0003836300000000 ] - [ 0.0011830500000000, 0.0000777400000000, 0.0001282200000000 ] - [ 0.0418769100000000, 0.0512952800000000, 0.0329045400000000 ] - [ -0.0001239500000000, -0.0012059100000000, 0.0023406200000000 ] - [ -0.0000080600000000, -0.0002013800000000, 0.0003799200000000 ] - [ 0.0002012100000000, 0.0004488100000000, 0.0003998600000000 ] - [ 0.0005463800000000, -0.0002943000000000, 0.0005733300000000 ] - [ 0.0004723300000000, 0.0013432700000000, -0.0010266000000000 ] - [ -0.0003222800000000, 0.0019248700000000, -0.0016641600000000 ] - [ 0.0001523200000000, 0.0005372000000000, 0.0001585100000000 ] - [ 0.0000630900000000, 0.0005883500000000, 0.0000119600000000 ] - [ -0.0005590300000000, -0.0002015100000000, -0.0001672900000000 ] - [ -0.0005549500000000, -0.0001175600000000, -0.0001605700000000 ] - [ -0.0003542900000000, -0.0027045000000000, 0.0003916800000000 ] - [ -0.0006597400000000, -0.0022461100000000, -0.0000892200000000 ] - [ 0.0002638400000000, 0.0006995900000000, -0.0004208400000000 ] - [ 0.0003070900000000, 0.0006242600000000, -0.0005212200000000 ] - [ -0.0002878900000000, 0.0003842500000000, -0.0001360100000000 ] - [ -0.0004921300000000, 0.0005369700000000, -0.0001346400000000 ] - [ -0.0000857900000000, 0.0004079800000000, 0.0009639500000000 ] - [ 0.0006392300000000, 0.0001142700000000, -0.0000419100000000 ] - [ -0.0001602900000000, 0.0000964200000000, -0.0006898400000000 ] - [ -0.0025677500000000, -0.0027622800000000, -0.0025070100000000 ] - [ -0.0024410200000000, 0.0082926000000000, 0.0016348300000000 ] - [ -0.0004465500000000, 0.0001381800000000, 0.0002065900000000 ] - [ -0.0003240900000000, -0.0001934400000000, 0.0013866300000000 ] - [ -0.0001755800000000, -0.0000534800000000, 0.0016494800000000 ] - [ 0.0002909200000000, 0.0002399000000000, -0.0007661700000000 ] - [ -0.0004062800000000, 0.0052831500000000, -0.0010758500000000 ] - [ -0.0013859500000000, -0.0002508000000000, 0.0005685500000000 ] - [ 0.0019862700000000, 0.0002841800000000, 0.0018075200000000 ] - [ 0.0005242400000000, -0.0001358500000000, 0.0000776800000000 ] - [ 0.0003043200000000, -0.0000669200000000, -0.0000965300000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001517000000000, -0.0007899900000000, 0.0001759300000000 ] - [ -0.0002992600000000, -0.0006419700000000, -0.0002718200000000 ] - [ 0.0003140000000000, 0.0007160000000000, -0.0004094900000000 ] - [ 0.0002570300000000, 0.0007670000000000, -0.0005760600000000 ] - [ -0.0004399100000000, 0.0011301500000000, 0.0013070300000000 ] - [ -0.0001773600000000, 0.0006384600000000, 0.0006198400000000 ] - [ 0.0037755600000000, -0.0038727300000000, -0.0016561700000000 ] - [ 0.0038714200000000, -0.0058739600000000, -0.0006064200000000 ] - [ -0.0000299500000000, 0.0005210600000000, -0.0001947700000000 ] - [ -0.0002681500000000, 0.0004970000000000, 0.0001747300000000 ] - [ -0.0002762500000000, 0.0000285500000000, 0.0001386000000000 ] - [ -0.0002041300000000, 0.0000409100000000, 0.0007342600000000 ] - [ 0.0005183600000000, -0.0009386100000000, -0.0002415800000000 ] - [ 0.0000250600000000, -0.0010079600000000, -0.0007650500000000 ] - [ 0.0008654200000000, 0.0002440800000000, -0.0004231100000000 ] - [ -0.0026716400000000, -0.0021199000000000, 0.0075217700000000 ] - [ -0.0015544700000000, 0.0001375100000000, -0.0088387200000000 ] - [ 0.0001438800000000, -0.0004726300000000, 0.0003094700000000 ] - [ 0.0000440800000000, -0.0010058100000000, 0.0000234700000000 ] - [ 0.0000442900000000, -0.0006907300000000, 0.0002031800000000 ] - [ 0.0003476200000000, 0.0020356400000000, 0.0009089700000000 ] - [ -0.0003755600000000, 0.0020853600000000, 0.0003742800000000 ] - [ 0.0008333900000000, -0.0007600500000000, -0.0011787200000000 ] - [ 0.0012635800000000, -0.0003815100000000, -0.0023484900000000 ] - [ -0.0000752300000000, 0.0005191100000000, 0.0003233400000000 ] - [ -0.0002362000000000, 0.0004497800000000, 0.0002450700000000 ] - [ 0.0001000000000000, 0.0006128000000000, -0.0000287600000000 ] - [ 0.0001330800000000, 0.0007704500000000, 0.0002018600000000 ] - [ 0.0003815400000000, -0.0006905600000000, 0.0002189100000000 ] - [ -0.0013972500000000, -0.0013818800000000, 0.0018431300000000 ] - [ 0.0001297300000000, 0.0004791000000000, 0.0001809500000000 ] - [ -0.0001544800000000, 0.0005490100000000, 0.0001446500000000 ] - [ -0.0001509800000000, -0.0001167200000000, 0.0000426500000000 ] - [ 0.0030753700000000, 0.0054534600000000, 0.0002673600000000 ] - [ -0.0000091100000000, 0.0003556000000000, 0.0001807200000000 ] - [ 0.0001237500000000, 0.0002890200000000, 0.0002005400000000 ] - [ -0.0033613100000000, 0.0040627900000000, -0.0001018600000000 ] - [ 0.0004330300000000, 0.0001764900000000, -0.0000733300000000 ] - [ -0.0017438000000000, -0.0033429100000000, -0.0025707000000000 ] - [ -0.0000316500000000, -0.0009913600000000, -0.0000783500000000 ] - [ -0.0015435000000000, 0.0021653000000000, -0.0003003300000000 ] - [ -0.0007405000000000, 0.0028964000000000, -0.0006264500000000 ] - [ -0.0011543700000000, -0.0022169600000000, -0.0021030500000000 ] - [ -0.0004831300000000, -0.0014568100000000, -0.0020286500000000 ] - [ 0.0002993600000000, -0.0013314400000000, 0.0000823800000000 ] - [ 0.0004553800000000, -0.0007727700000000, 0.0004378200000000 ] - [ 0.0002657400000000, -0.0006426800000000, -0.0006392700000000 ] - [ 0.0009325900000000, -0.0016165600000000, -0.0004965500000000 ] - [ -0.0004972300000000, -0.0003105000000000, 0.0005867900000000 ] - [ -0.0016888600000000, -0.0004261300000000, 0.0015834600000000 ] - [ -0.0041396300000000, 0.0060220300000000, -0.0039366700000000 ] - [ 0.0000930500000000, 0.0000037600000000, -0.0004387500000000 ] - [ 0.0002429900000000, 0.0002710100000000, -0.0003388300000000 ] - [ 0.0002257400000000, 0.0002488800000000, -0.0003828900000000 ] - [ 0.0006735100000000, -0.0000212600000000, -0.0000620600000000 ] - [ 0.0008621100000000, -0.0011105100000000, 0.0000647600000000 ] - [ -0.0012249200000000, 0.0004667200000000, 0.0005334000000000 ] - [ -0.0005118700000000, -0.0000314200000000, -0.0004782400000000 ] - [ 0.0000973400000000, 0.0001927200000000, 0.0010549300000000 ] - [ 0.0003630400000000, 0.0001464800000000, 0.0008996600000000 ] - [ -0.0000300600000000, -0.0001775500000000, -0.0000701700000000 ] - [ 0.0000488300000000, 0.0000251700000000, 0.0000689000000000 ] - [ -0.0000442700000000, 0.0007320300000000, 0.0008338100000000 ] - [ -0.2039649600000000, -0.4416263100000000, -0.1678996000000000 ] - [ 0.0000725700000000, 0.0003578500000000, 0.0000205600000000 ] - [ 0.0002482300000000, 0.0009276000000000, 0.0002374900000000 ] - [ -0.0000703800000000, -0.0000787600000000, 0.0004278800000000 ] - [ -0.0001600700000000, 0.0001387300000000, 0.0003962800000000 ] - [ 0.0000303900000000, -0.0000362800000000, 0.0008617900000000 ] - [ -0.0000010900000000, -0.0000841600000000, 0.0008562900000000 ] - [ -0.0000367600000000, 0.0002308600000000, -0.0001657400000000 ] - [ 0.0001107400000000, 0.0014353600000000, -0.0000957400000000 ] - [ 0.0002138000000000, -0.0000594400000000, -0.0009359200000000 ] - [ 0.0002647000000000, -0.0000260700000000, -0.0008853400000000 ] - [ -0.0004035200000000, -0.0000646800000000, 0.0001787700000000 ] - [ -0.0003706100000000, -0.0001128900000000, 0.0000493800000000 ] - [ -0.0003103600000000, 0.0002626800000000, -0.0002489300000000 ] - [ -0.0008880200000000, 0.0001810100000000, 0.0012079800000000 ] - [ 0.0008538500000000, -0.0005267700000000, 0.0004177600000000 ] - [ 0.0005478200000000, -0.0000762000000000, 0.0002580900000000 ] - [ 0.0002551900000000, 0.0023937100000000, 0.0020394700000000 ] - [ -0.0004204400000000, 0.0013901600000000, -0.0004517000000000 ] - [ 0.2420360600000000, 0.5069844700000000, 0.2053739500000000 ] - [ -0.0011295000000000, -0.0006312300000000, 0.0001193800000000 ] - [ -0.0001029900000000, 0.0002921800000000, -0.0005866500000000 ] - [ -0.0000247200000000, -0.0000999300000000, -0.0005486400000000 ] - [ 0.0020983100000000, -0.0001923100000000, 0.0013802100000000 ] - [ -0.0008932900000000, 0.0000881200000000, 0.0023124900000000 ] - [ -0.0004176900000000, 0.0007293300000000, 0.0004070500000000 ] - [ -0.0001334600000000, 0.0013615600000000, -0.0011096800000000 ] - [ -0.0001561400000000, 0.0005086600000000, -0.0003612100000000 ] - [ -0.0000609400000000, 0.0005034100000000, -0.0003523100000000 ] - [ -0.0007572500000000, -0.0002868000000000, -0.0006245200000000 ] - [ -0.0000861500000000, -0.0002898800000000, -0.0004144800000000 ] - [ -0.0001586900000000, -0.0009485800000000, 0.0000020400000000 ] - [ 0.0022465700000000, -0.0075255700000000, 0.0027975300000000 ] - [ -0.0020694900000000, -0.0027008700000000, 0.0003951900000000 ] - [ 0.0037279200000000, -0.0020220600000000, 0.0006936900000000 ] - [ 0.0004198100000000, -0.0003062200000000, 0.0004426200000000 ] - [ 0.0006677100000000, -0.0007160200000000, 0.0004645200000000 ] - [ -0.0000384100000000, 0.0005651900000000, -0.0001269600000000 ] - [ -0.0001782600000000, 0.0006473300000000, -0.0002866200000000 ] - [ -0.0003636100000000, -0.0010677900000000, 0.0009022500000000 ] - [ -0.0001323200000000, -0.0007571200000000, 0.0003859800000000 ] - [ -0.0003903400000000, -0.0001386700000000, -0.0003491200000000 ] - [ -0.0403158200000000, -0.0509162500000000, -0.0325185500000000 ] - [ -0.0000128400000000, 0.0010847000000000, -0.0014526500000000 ] - [ -0.0001269300000000, 0.0000779400000000, 0.0004820000000000 ] - [ -0.0001002200000000, 0.0008711900000000, 0.0001061200000000 ] - [ -0.0004420700000000, 0.0016091500000000, -0.0000657100000000 ] - [ 0.0000055900000000, -0.0023691900000000, -0.0002653400000000 ] - [ 0.0008148100000000, -0.0029565100000000, 0.0003789100000000 ] - [ -0.0000438800000000, 0.0005719100000000, -0.0000630300000000 ] - [ 0.0000429000000000, 0.0005203300000000, 0.0000819400000000 ] - [ -0.0005821200000000, -0.0001400300000000, -0.0003049000000000 ] - [ -0.0005869300000000, -0.0002254100000000, -0.0003136900000000 ] - [ -0.0001244400000000, 0.0016663300000000, 0.0008956900000000 ] - [ 0.0001520900000000, 0.0011912500000000, 0.0013636500000000 ] - [ 0.0002254900000000, 0.0003372000000000, -0.0008575500000000 ] - [ 0.0001833300000000, 0.0004119900000000, -0.0007573000000000 ] - [ -0.0008310300000000, -0.0000235800000000, 0.0002991600000000 ] - [ -0.0006377900000000, -0.0001746200000000, 0.0003114700000000 ] - [ 0.0011994500000000, -0.0000459200000000, -0.0011129600000000 ] - [ 0.0004832000000000, 0.0002458100000000, -0.0001186600000000 ] - [ -0.0009733900000000, 0.0002554600000000, 0.0001998200000000 ] - [ 0.0014140700000000, 0.0030968300000000, 0.0020165200000000 ] - [ 0.0016423000000000, -0.0083361500000000, -0.0014265000000000 ] - [ -0.0003317800000000, -0.0002028500000000, 0.0000156600000000 ] - [ 0.0001896600000000, 0.0003171600000000, -0.0005268200000000 ] - [ 0.0000416000000000, 0.0001767500000000, -0.0007788800000000 ] - [ -0.0001545100000000, -0.0003633900000000, -0.0000962200000000 ] - [ 0.0005418700000000, -0.0054130500000000, 0.0002240000000000 ] - [ 0.0024968600000000, -0.0001148100000000, -0.0007408400000000 ] - [ -0.0008514500000000, -0.0006406800000000, -0.0019607400000000 ] - [ 0.0002568900000000, 0.0001987100000000, -0.0002967500000000 ] - [ 0.0004743600000000, 0.0001301900000000, -0.0001246700000000 ]- atom: 83 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0001319100000000, -0.0006698700000000, -0.0006032500000000 ] - [ -0.0001922400000000, -0.0005859400000000, -0.0009578500000000 ] - [ 0.0000222600000000, 0.0007254000000000, -0.0012269900000000 ] - [ 0.0004862300000000, 0.0005867100000000, -0.0013649600000000 ] - [ -0.0002178900000000, -0.0003797100000000, -0.0001037700000000 ] - [ -0.0001859600000000, 0.0004897900000000, 0.0004094400000000 ] - [ -0.0021898900000000, 0.0009420200000000, 0.0036038300000000 ] - [ -0.0000790700000000, 0.0018997800000000, 0.0016090300000000 ] - [ 0.0002282100000000, -0.0002512400000000, 0.0002886500000000 ] - [ -0.0006041000000000, -0.0004516000000000, 0.0005770600000000 ] - [ 0.0000449100000000, 0.0003853400000000, -0.0007175500000000 ] - [ -0.0005512600000000, 0.0003228700000000, -0.0001892700000000 ] - [ -0.0008076400000000, -0.0003196500000000, -0.0010340000000000 ] - [ 0.0012205000000000, -0.0002730400000000, -0.0009376800000000 ] - [ 0.0005890600000000, 0.0003650100000000, -0.0007255800000000 ] - [ -0.0002449200000000, -0.0005840500000000, -0.0031208300000000 ] - [ -0.0001777100000000, 0.0056570100000000, -0.0010083300000000 ] - [ -0.0001027400000000, -0.0006704100000000, 0.0010998100000000 ] - [ 0.0000140900000000, -0.0004170700000000, -0.0012567500000000 ] - [ 0.0000422400000000, -0.0008708600000000, -0.0007153500000000 ] - [ -0.0006435100000000, 0.0008696500000000, 0.0009459500000000 ] - [ 0.0004115200000000, 0.0007948800000000, 0.0004520300000000 ] - [ 0.0008147000000000, -0.0001180300000000, -0.0000372400000000 ] - [ -0.0004042000000000, -0.0024554200000000, 0.0041202000000000 ] - [ -0.0003482200000000, 0.0004112800000000, -0.0003768300000000 ] - [ -0.0000547900000000, 0.0005288800000000, -0.0002068600000000 ] - [ 0.0002496700000000, 0.0005281800000000, -0.0004876400000000 ] - [ 0.0000459300000000, 0.0005582900000000, -0.0004557000000000 ] - [ -0.0001557500000000, -0.0004166300000000, 0.0004335600000000 ] - [ 0.0006298900000000, -0.0012184200000000, 0.0011444600000000 ] - [ -0.0000833400000000, 0.0003677000000000, -0.0003389100000000 ] - [ -0.0000115100000000, 0.0003735100000000, -0.0004204600000000 ] - [ -0.0000467600000000, -0.0006573100000000, 0.0005348600000000 ] - [ -0.0009534900000000, -0.0017116500000000, 0.0003062400000000 ] - [ 0.0002627600000000, 0.0002473000000000, -0.0005486300000000 ] - [ -0.0000523700000000, 0.0003559100000000, -0.0002679200000000 ] - [ 0.0005510200000000, -0.0008657800000000, 0.0005123400000000 ] - [ 0.0001901300000000, -0.0004900200000000, 0.0004063200000000 ] - [ 0.0004331700000000, 0.0002024200000000, 0.0041858600000000 ] - [ 0.0006044400000000, -0.0005516300000000, 0.0001294400000000 ] - [ -0.0003132300000000, 0.0005721500000000, 0.0004059800000000 ] - [ 0.0000739900000000, -0.0006926600000000, 0.0010950000000000 ] - [ 0.0005874000000000, 0.0012127700000000, -0.0005571100000000 ] - [ 0.0011743800000000, 0.0029192500000000, 0.0007792400000000 ] - [ -0.0000797300000000, 0.0002803500000000, -0.0000030800000000 ] - [ -0.0008956600000000, 0.0031246600000000, -0.0002326700000000 ] - [ -0.0000700000000000, 0.0000322900000000, -0.0008027100000000 ] - [ -0.0000218500000000, 0.0000369700000000, -0.0008702200000000 ] - [ -0.0000520500000000, 0.0002794800000000, -0.0013591700000000 ] - [ -0.0003801600000000, 0.0000908500000000, -0.0005782100000000 ] - [ 0.0019707700000000, -0.0023669300000000, 0.0008611300000000 ] - [ 0.0003057800000000, -0.0003873100000000, -0.0003718400000000 ] - [ 0.0001213500000000, 0.0001112700000000, -0.0003221900000000 ] - [ 0.0000833600000000, -0.0000372900000000, -0.0004187300000000 ] - [ 0.0005663000000000, -0.0000117800000000, 0.0002326800000000 ] - [ 0.0009384800000000, 0.0000004000000000, -0.0003078900000000 ] - [ 0.0019671200000000, -0.0009833900000000, -0.0033787100000000 ] - [ -0.0004543400000000, -0.0000647900000000, -0.0005555700000000 ] - [ 0.0006599300000000, 0.0000316600000000, 0.0002071100000000 ] - [ 0.0008015700000000, -0.0000145000000000, -0.0004313900000000 ] - [ -0.0001373500000000, -0.0005450700000000, -0.0004670400000000 ] - [ -0.0000224800000000, -0.0000650900000000, -0.0000071900000000 ] - [ 0.0001521000000000, 0.0009813000000000, 0.0007040100000000 ] - [ 0.0287746800000000, 0.0918064700000000, 0.0932011200000000 ] - [ 0.0000209300000000, 0.0000292600000000, 0.0000345400000000 ] - [ 0.0001273900000000, 0.0004792400000000, 0.0001961600000000 ] - [ -0.0003957800000000, 0.0006122000000000, 0.0002780300000000 ] - [ -0.0003849400000000, 0.0004642700000000, 0.0003712400000000 ] - [ -0.0003024400000000, -0.0006187700000000, 0.0007308200000000 ] - [ -0.0002290200000000, -0.0005220700000000, 0.0007651900000000 ] - [ -0.0003908700000000, 0.0005588200000000, -0.0005828400000000 ] - [ -0.0001911900000000, 0.0013216600000000, -0.0012340800000000 ] - [ 0.0002790700000000, 0.0001764300000000, -0.0001564900000000 ] - [ -0.0003010800000000, 0.0002330500000000, 0.0003271000000000 ] - [ -0.0004231600000000, 0.0000403900000000, 0.0005079300000000 ] - [ -0.0001837100000000, 0.0000752800000000, 0.0004414000000000 ] - [ 0.0000451500000000, -0.0007896800000000, -0.0003771600000000 ] - [ 0.0003285300000000, -0.0023149000000000, 0.0000455900000000 ] - [ 0.0012463200000000, 0.0001205800000000, 0.0007658100000000 ] - [ 0.0004711300000000, 0.0002561000000000, 0.0002321000000000 ] - [ -0.0003817800000000, -0.0007406400000000, 0.0032042600000000 ] - [ 0.0001109000000000, 0.0004748300000000, 0.0005521600000000 ] - [ -0.0428146300000000, -0.1112406000000000, -0.0910704700000000 ] - [ -0.0002579300000000, -0.0010908600000000, -0.0006455800000000 ] - [ 0.0000367500000000, 0.0005371000000000, -0.0003709300000000 ] - [ -0.0002973100000000, 0.0003141600000000, -0.0003515900000000 ] - [ 0.0003020000000000, -0.0009645300000000, -0.0007571500000000 ] - [ -0.0007668900000000, -0.0025739700000000, -0.0015326500000000 ] - [ -0.0001360900000000, 0.0004025900000000, 0.0010390000000000 ] - [ -0.0000962600000000, 0.0004679500000000, 0.0010471300000000 ] - [ 0.0000934500000000, 0.0007271500000000, 0.0001639800000000 ] - [ -0.0000249200000000, 0.0007082400000000, 0.0000961400000000 ] - [ -0.0002601500000000, 0.0000831400000000, 0.0002391200000000 ] - [ -0.0013103700000000, 0.0002303400000000, 0.0006867600000000 ] - [ -0.0000200400000000, -0.0005202300000000, -0.0002796600000000 ] - [ -0.0011097000000000, 0.0012608800000000, -0.0020495000000000 ] - [ -0.0003991100000000, -0.0014692000000000, -0.0011578500000000 ] - [ -0.0010240400000000, 0.0003205700000000, -0.0015044500000000 ] - [ 0.0005322300000000, -0.0006290400000000, 0.0009376400000000 ] - [ 0.0009343400000000, -0.0010281900000000, 0.0013754400000000 ] - [ -0.0000852900000000, 0.0004720400000000, 0.0003530800000000 ] - [ 0.0001253600000000, 0.0003707300000000, 0.0003070400000000 ] - [ -0.0002148900000000, -0.0009722400000000, 0.0008203300000000 ] - [ 0.0002017200000000, -0.0006603200000000, 0.0004363100000000 ] - [ -0.0009195300000000, 0.0000846600000000, -0.0008794100000000 ] - [ 0.0181426400000000, 0.0138577400000000, -0.0184682100000000 ] - [ -0.0000884200000000, 0.0000839600000000, 0.0062254200000000 ] - [ -0.0002980200000000, -0.0000240300000000, 0.0004166900000000 ] - [ -0.0000273800000000, 0.0006042000000000, 0.0007687200000000 ] - [ 0.0001364500000000, 0.0006302000000000, 0.0006356100000000 ] - [ 0.0001367700000000, -0.0008595100000000, -0.0009843100000000 ] - [ -0.0001726100000000, 0.0004283900000000, -0.0014121100000000 ] - [ 0.0001554000000000, 0.0006231100000000, 0.0004081900000000 ] - [ -0.0000189600000000, 0.0005166400000000, 0.0004917500000000 ] - [ -0.0003447800000000, -0.0000491000000000, 0.0003857600000000 ] - [ -0.0007327600000000, -0.0002671600000000, -0.0000050300000000 ] - [ 0.0005390900000000, -0.0013423000000000, -0.0001478200000000 ] - [ -0.0025977600000000, -0.0025194900000000, 0.0002426100000000 ] - [ 0.0002764200000000, 0.0007672200000000, -0.0001320500000000 ] - [ 0.0003543600000000, 0.0006051900000000, -0.0002772400000000 ] - [ -0.0005536900000000, 0.0002198800000000, 0.0003041500000000 ] - [ -0.0007120300000000, 0.0001662400000000, 0.0006827600000000 ] - [ -0.0012998600000000, 0.0008432100000000, 0.0031416500000000 ] - [ 0.0006819100000000, 0.0001673800000000, 0.0001461600000000 ] - [ -0.0012536300000000, -0.0007072800000000, 0.0006731200000000 ] - [ 0.0007333200000000, -0.0004724800000000, 0.0009424400000000 ] - [ -0.0005522600000000, 0.0037167800000000, -0.0003415800000000 ] - [ -0.0006226400000000, -0.0000167600000000, -0.0001924100000000 ] - [ -0.0003873400000000, -0.0000034500000000, 0.0011093000000000 ] - [ 0.0001068500000000, 0.0000976100000000, 0.0006365700000000 ] - [ -0.0001979200000000, -0.0000769300000000, -0.0004280200000000 ] - [ 0.0001137600000000, -0.0006023500000000, 0.0002588300000000 ] - [ 0.0002382500000000, 0.0003335300000000, 0.0006226700000000 ] - [ 0.0007187400000000, -0.0001484700000000, 0.0000098200000000 ] - [ 0.0006502900000000, -0.0001312200000000, 0.0003855100000000 ] - [ 0.0003259900000000, -0.0000918100000000, 0.0004172700000000 ]- atom: 83 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0002076200000000, -0.0009633200000000, 0.0008579400000000 ] - [ 0.0001102700000000, -0.0010461600000000, 0.0012130200000000 ] - [ 0.0005321700000000, 0.0004289400000000, 0.0000709700000000 ] - [ 0.0000644400000000, 0.0005691000000000, 0.0002069300000000 ] - [ -0.0002672600000000, 0.0015130800000000, 0.0009936600000000 ] - [ -0.0002996100000000, 0.0006393700000000, 0.0004831700000000 ] - [ 0.0020949600000000, 0.0007232700000000, -0.0037986100000000 ] - [ 0.0002061300000000, -0.0003019800000000, -0.0018731700000000 ] - [ -0.0007178100000000, -0.0008690200000000, 0.0006026300000000 ] - [ 0.0001242800000000, -0.0006703400000000, 0.0003173700000000 ] - [ -0.0005994000000000, 0.0007655500000000, 0.0018746400000000 ] - [ 0.0000018200000000, 0.0008305400000000, 0.0013542000000000 ] - [ 0.0012995600000000, -0.0008094400000000, 0.0001454100000000 ] - [ -0.0007406200000000, -0.0008569700000000, 0.0000479600000000 ] - [ -0.0000952100000000, 0.0007587300000000, -0.0001705300000000 ] - [ 0.0006966700000000, 0.0016713800000000, 0.0022662500000000 ] - [ -0.0003668000000000, -0.0068342100000000, 0.0021088300000000 ] - [ -0.0004487900000000, -0.0004859800000000, 0.0000608300000000 ] - [ 0.0000660200000000, -0.0012204000000000, 0.0010094200000000 ] - [ 0.0000363600000000, -0.0007627200000000, 0.0004676100000000 ] - [ 0.0005621400000000, 0.0007646400000000, -0.0006941800000000 ] - [ -0.0004885200000000, 0.0008420400000000, -0.0002051700000000 ] - [ -0.0002571200000000, -0.0010343500000000, -0.0011259200000000 ] - [ 0.0009685400000000, 0.0012656700000000, -0.0052720400000000 ] - [ 0.0000707100000000, 0.0006575100000000, 0.0006644400000000 ] - [ -0.0002258000000000, 0.0005389400000000, 0.0004941700000000 ] - [ 0.0000290500000000, 0.0005396700000000, 0.0002048400000000 ] - [ 0.0002349700000000, 0.0005112500000000, 0.0001750100000000 ] - [ 0.0000754600000000, -0.0003164200000000, -0.0005254400000000 ] - [ -0.0005430800000000, 0.0004026100000000, -0.0013883900000000 ] - [ 0.0000041900000000, 0.0003662900000000, 0.0002495100000000 ] - [ -0.0000726000000000, 0.0003607900000000, 0.0003308600000000 ] - [ -0.0002331000000000, -0.0004122700000000, -0.0002519400000000 ] - [ 0.0007050700000000, 0.0006842200000000, -0.0000242900000000 ] - [ -0.0001824800000000, 0.0004871100000000, 0.0006435000000000 ] - [ 0.0001346300000000, 0.0003774500000000, 0.0003626400000000 ] - [ -0.0005016700000000, 0.0001626400000000, -0.0004251500000000 ] - [ -0.0001055400000000, -0.0002431000000000, -0.0003176200000000 ] - [ -0.0002679500000000, -0.0013347700000000, -0.0045532900000000 ] - [ -0.0003263000000000, -0.0005162600000000, -0.0004161700000000 ] - [ 0.0000989500000000, -0.0000291000000000, 0.0011659400000000 ] - [ -0.0002827700000000, 0.0012285800000000, 0.0004841400000000 ] - [ -0.0003837700000000, -0.0006888400000000, -0.0010261200000000 ] - [ -0.0009803800000000, -0.0024208100000000, -0.0023785600000000 ] - [ 0.0000815900000000, -0.0002867400000000, 0.0000027400000000 ] - [ 0.0008864400000000, -0.0030890100000000, 0.0002327800000000 ] - [ 0.0002793500000000, -0.0005693300000000, -0.0007747100000000 ] - [ 0.0002373300000000, -0.0005818100000000, -0.0007070000000000 ] - [ -0.0009546200000000, -0.0001751600000000, 0.0005555000000000 ] - [ -0.0006369000000000, 0.0000124800000000, -0.0002187200000000 ] - [ -0.0015686300000000, 0.0019791500000000, -0.0015902300000000 ] - [ 0.0001067100000000, -0.0000133400000000, -0.0003581900000000 ] - [ 0.0002924400000000, 0.0002912800000000, -0.0004076800000000 ] - [ 0.0003312000000000, 0.0004421900000000, -0.0003101300000000 ] - [ 0.0004441500000000, -0.0000939500000000, 0.0005731600000000 ] - [ 0.0000605600000000, -0.0001142900000000, 0.0011368500000000 ] - [ -0.0029905600000000, 0.0008810700000000, 0.0025843800000000 ] - [ -0.0005550200000000, -0.0000413200000000, -0.0002535300000000 ] - [ 0.0003493900000000, 0.0000744700000000, 0.0006016200000000 ] - [ 0.0002064600000000, 0.0001206100000000, 0.0012445700000000 ] - [ 0.0001388700000000, 0.0005513200000000, 0.0004721400000000 ] - [ 0.0000227600000000, 0.0000659300000000, 0.0000076900000000 ] - [ -0.0005599900000000, -0.0013637800000000, 0.0000338300000000 ] - [ -0.0297163900000000, -0.0942518500000000, -0.0949086500000000 ] - [ -0.0000207000000000, -0.0000290800000000, -0.0000349700000000 ] - [ -0.0001284600000000, -0.0004821200000000, -0.0001973400000000 ] - [ -0.0000150700000000, -0.0002147700000000, 0.0004525800000000 ] - [ -0.0000263500000000, -0.0000648900000000, 0.0003589700000000 ] - [ 0.0000988800000000, 0.0000927700000000, 0.0008510900000000 ] - [ 0.0000248000000000, -0.0000056800000000, 0.0008158200000000 ] - [ 0.0003880100000000, -0.0005534600000000, 0.0005773200000000 ] - [ 0.0001945200000000, -0.0013212700000000, 0.0012382400000000 ] - [ -0.0001510800000000, -0.0000490900000000, -0.0006931400000000 ] - [ 0.0004328500000000, -0.0001055400000000, -0.0011795300000000 ] - [ -0.0003574100000000, 0.0000125900000000, -0.0002919400000000 ] - [ -0.0005991200000000, -0.0000247100000000, -0.0002276100000000 ] - [ -0.0000705300000000, -0.0003403400000000, -0.0003886400000000 ] - [ -0.0003455100000000, 0.0011632300000000, -0.0008098200000000 ] - [ -0.0001090600000000, 0.0002362200000000, -0.0002868800000000 ] - [ 0.0006732900000000, 0.0000975000000000, 0.0002541400000000 ] - [ 0.0004042900000000, 0.0018659700000000, -0.0023960700000000 ] - [ -0.0000932200000000, 0.0006650200000000, 0.0002083400000000 ] - [ 0.0432962300000000, 0.1124915200000000, 0.0939097600000000 ] - [ 0.0001478200000000, -0.0000173400000000, 0.0005556200000000 ] - [ -0.0000588800000000, 0.0005964500000000, -0.0003945800000000 ] - [ 0.0002778400000000, 0.0008239800000000, -0.0004125800000000 ] - [ -0.0002016600000000, -0.0003564900000000, 0.0012676200000000 ] - [ 0.0008648400000000, 0.0012704100000000, 0.0020612900000000 ] - [ -0.0003545500000000, 0.0006377200000000, 0.0002387500000000 ] - [ -0.0003903100000000, 0.0005800000000000, 0.0002151800000000 ] - [ -0.0001921900000000, 0.0005971700000000, -0.0006719900000000 ] - [ -0.0000709800000000, 0.0006175900000000, -0.0006030600000000 ] - [ -0.0008647200000000, -0.0004413500000000, -0.0000687400000000 ] - [ 0.0001895800000000, -0.0005909200000000, -0.0005184000000000 ] - [ 0.0001221400000000, -0.0005819100000000, 0.0003708800000000 ] - [ 0.0012145500000000, -0.0023802400000000, 0.0021577900000000 ] - [ 0.0003025200000000, 0.0001289700000000, 0.0006541000000000 ] - [ 0.0009345200000000, -0.0016475800000000, 0.0010063800000000 ] - [ 0.0006142800000000, 0.0002679500000000, -0.0004462300000000 ] - [ 0.0002093200000000, 0.0006720300000000, -0.0008919600000000 ] - [ -0.0000171200000000, 0.0006323600000000, -0.0004465200000000 ] - [ -0.0002287800000000, 0.0007318300000000, -0.0004009200000000 ] - [ 0.0002386100000000, -0.0001589100000000, -0.0000589700000000 ] - [ -0.0001813800000000, -0.0004746800000000, 0.0003277500000000 ] - [ 0.0016824200000000, -0.0001407700000000, 0.0006567100000000 ] - [ -0.0173510700000000, -0.0140492600000000, 0.0179713200000000 ] - [ -0.0000530900000000, -0.0002160000000000, -0.0054266100000000 ] - [ 0.0001706200000000, -0.0001044300000000, 0.0004299400000000 ] - [ 0.0001214100000000, 0.0007265200000000, -0.0002678200000000 ] - [ -0.0000447500000000, 0.0007050400000000, -0.0001356600000000 ] - [ 0.0003571000000000, -0.0001894200000000, -0.0002926900000000 ] - [ 0.0006594700000000, -0.0014728700000000, 0.0001344400000000 ] - [ -0.0000548600000000, 0.0004787100000000, -0.0003192900000000 ] - [ 0.0001218200000000, 0.0005840200000000, -0.0004018600000000 ] - [ -0.0008009600000000, -0.0003054600000000, -0.0008745000000000 ] - [ -0.0004090300000000, -0.0000846400000000, -0.0004800900000000 ] - [ -0.0010243000000000, 0.0003130000000000, 0.0014297600000000 ] - [ 0.0021384800000000, 0.0015013400000000, 0.0010393900000000 ] - [ 0.0002110800000000, 0.0002686600000000, -0.0011507400000000 ] - [ 0.0001325300000000, 0.0004303000000000, -0.0010058700000000 ] - [ -0.0005739000000000, 0.0001362700000000, -0.0001333500000000 ] - [ -0.0004047600000000, 0.0001891800000000, -0.0005258500000000 ] - [ 0.0024381700000000, -0.0004900200000000, -0.0033331500000000 ] - [ 0.0004416200000000, 0.0001908300000000, -0.0003166400000000 ] - [ 0.0001009200000000, 0.0010536500000000, -0.0011458200000000 ] - [ -0.0018567200000000, 0.0008453100000000, -0.0014152600000000 ] - [ -0.0002239600000000, -0.0037857300000000, 0.0005615900000000 ] - [ -0.0001588700000000, -0.0000382900000000, 0.0004100900000000 ] - [ 0.0002610100000000, 0.0001338200000000, -0.0002703800000000 ] - [ -0.0002393400000000, 0.0000313000000000, 0.0002068400000000 ] - [ 0.0003262100000000, -0.0000526200000000, -0.0004184800000000 ] - [ 0.0000187400000000, 0.0004519000000000, -0.0011233500000000 ] - [ 0.0009037600000000, -0.0006859900000000, -0.0007925600000000 ] - [ 0.0003953800000000, -0.0002100000000000, -0.0001954300000000 ] - [ 0.0001282800000000, 0.0001882500000000, -0.0006062100000000 ] - [ 0.0004574700000000, 0.0001456700000000, -0.0006358800000000 ]- atom: 87 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0000004700000000, -0.0008175900000000, 0.0002352500000000 ] - [ -0.0000593200000000, -0.0008561000000000, -0.0002336400000000 ] - [ 0.0009004200000000, 0.0002048800000000, -0.0006979800000000 ] - [ -0.0002203100000000, 0.0005065000000000, -0.0002385600000000 ] - [ 0.0001478500000000, -0.0002872000000000, 0.0011896100000000 ] - [ -0.0008496500000000, 0.0002626600000000, -0.0000493600000000 ] - [ 0.0042336800000000, 0.0009856700000000, 0.0032622900000000 ] - [ -0.0016367700000000, 0.0011875400000000, -0.0003677600000000 ] - [ 0.0001581700000000, -0.0007077800000000, 0.0005888200000000 ] - [ -0.0006089900000000, -0.0005764500000000, 0.0002614500000000 ] - [ -0.0001888700000000, 0.0006457300000000, 0.0005314600000000 ] - [ -0.0003953200000000, 0.0004669100000000, 0.0002337200000000 ] - [ 0.0018492700000000, 0.0002265100000000, -0.0053285400000000 ] - [ -0.0007411900000000, -0.0000620700000000, -0.0001439300000000 ] - [ 0.0001060600000000, 0.0005394300000000, 0.0002017600000000 ] - [ 0.0003142800000000, 0.0007282800000000, -0.0017238700000000 ] - [ 0.0014803200000000, 0.0011605400000000, 0.0033847600000000 ] - [ -0.0067144600000000, 0.0011914300000000, -0.0010534200000000 ] - [ 0.0003324900000000, -0.0004130300000000, 0.0005090200000000 ] - [ -0.0003644600000000, -0.0007020200000000, -0.0006939900000000 ] - [ 0.0037834200000000, -0.0020381300000000, 0.0004407900000000 ] - [ -0.0016356900000000, 0.0003175400000000, 0.0002903900000000 ] - [ -0.0000120400000000, -0.0007911700000000, 0.0003305800000000 ] - [ 0.0005103200000000, -0.0004212300000000, -0.0014445400000000 ] - [ 0.0001154600000000, 0.0005049700000000, 0.0000128200000000 ] - [ -0.0003182100000000, 0.0004855500000000, -0.0000086100000000 ] - [ 0.0001952700000000, 0.0005192300000000, -0.0001052400000000 ] - [ 0.0000644400000000, 0.0005647600000000, -0.0003364400000000 ] - [ -0.0018956200000000, -0.0027569200000000, 0.0000283700000000 ] - [ -0.0003598700000000, -0.0001141400000000, 0.0002746000000000 ] - [ -0.0000170700000000, 0.0003808600000000, -0.0000723600000000 ] - [ -0.0000466500000000, 0.0003749700000000, -0.0001700900000000 ] - [ 0.0016653300000000, -0.0006766100000000, 0.0005085600000000 ] - [ -0.0008393600000000, -0.0008191500000000, -0.0002720800000000 ] - [ 0.0000244700000000, 0.0003586800000000, 0.0000881900000000 ] - [ -0.0000224700000000, 0.0002644400000000, -0.0003043500000000 ] - [ 0.0034205000000000, -0.0004644500000000, 0.0008541600000000 ] - [ -0.0006150100000000, -0.0002794800000000, 0.0001998600000000 ] - [ 0.0030735400000000, -0.0024252200000000, 0.0005658200000000 ] - [ -0.0005938800000000, -0.0004626200000000, -0.0001716800000000 ] - [ 0.0007681800000000, -0.0011893000000000, 0.0014849100000000 ] - [ -0.0002008700000000, 0.0006059400000000, 0.0006215800000000 ] - [ 0.1662338900000000, 0.1960160000000000, 0.1060157700000000 ] - [ -0.0004863000000000, -0.0018852000000000, -0.0017794400000000 ] - [ -0.0000066400000000, 0.0000781200000000, 0.0000039300000000 ] - [ -0.0000272100000000, -0.0000630300000000, -0.0000178000000000 ] - [ 0.0001490100000000, -0.0003474700000000, -0.0007876700000000 ] - [ -0.0000637600000000, 0.0000434500000000, -0.0008551600000000 ] - [ -0.0007242100000000, 0.0001424100000000, -0.0004673500000000 ] - [ -0.0003619800000000, 0.0000739900000000, -0.0005051200000000 ] - [ 0.0024752000000000, -0.0040602300000000, 0.0013068500000000 ] - [ 0.0000045800000000, 0.0010877000000000, -0.0011947600000000 ] - [ 0.0001867400000000, 0.0001757300000000, -0.0003792700000000 ] - [ 0.0001168700000000, 0.0000398900000000, -0.0003933400000000 ] - [ 0.0002462200000000, -0.0001859200000000, 0.0009006400000000 ] - [ 0.0010145000000000, 0.0001457700000000, -0.0004515800000000 ] - [ -0.0011276100000000, -0.0000619300000000, -0.0001404800000000 ] - [ 0.0000808600000000, -0.0002204400000000, -0.0012399700000000 ] - [ 0.0015673300000000, 0.0000772800000000, -0.0016829200000000 ] - [ 0.0003367800000000, 0.0000979500000000, 0.0008774400000000 ] - [ 0.0015198000000000, 0.0034491700000000, 0.0030462300000000 ] - [ -0.0002135900000000, -0.0005235200000000, -0.0004979000000000 ] - [ -0.0005935600000000, -0.0009905400000000, -0.0001395000000000 ] - [ 0.0012124200000000, 0.0025585500000000, 0.0015699700000000 ] - [ 0.0005860500000000, 0.0014429600000000, 0.0003436400000000 ] - [ -0.0006222000000000, -0.0020570900000000, -0.0009080600000000 ] - [ -0.0007425500000000, 0.0010873800000000, 0.0003100300000000 ] - [ -0.0002934000000000, 0.0004447800000000, 0.0002585800000000 ] - [ -0.0000711700000000, -0.0001614200000000, 0.0008131200000000 ] - [ -0.0002414000000000, -0.0005612800000000, 0.0007014100000000 ] - [ 0.0000068700000000, -0.0002079200000000, 0.0002381800000000 ] - [ -0.0001573400000000, 0.0004432800000000, -0.0004525600000000 ] - [ -0.0009735300000000, 0.0005234400000000, 0.0009914000000000 ] - [ 0.0004695300000000, 0.0000643900000000, -0.0006698400000000 ] - [ -0.0004152000000000, 0.0000802500000000, 0.0000894700000000 ] - [ -0.0002929700000000, 0.0000950900000000, 0.0002644200000000 ] - [ 0.0001328500000000, -0.0006129700000000, -0.0005040600000000 ] - [ -0.0001461700000000, -0.0005057600000000, -0.0002170800000000 ] - [ -0.0004979900000000, 0.0010046100000000, -0.0039524100000000 ] - [ 0.0013568300000000, 0.0001123000000000, 0.0007286300000000 ] - [ -0.0003455400000000, 0.0005816500000000, 0.0002960800000000 ] - [ 0.0002247600000000, 0.0005410000000000, 0.0004488000000000 ] - [ -0.0009687800000000, -0.0025960100000000, -0.0001117400000000 ] - [ 0.0015459100000000, 0.0003935700000000, -0.0003278800000000 ] - [ -0.0006117800000000, -0.0004124000000000, -0.0003763700000000 ] - [ 0.0005055500000000, 0.0017145700000000, -0.0002311500000000 ] - [ -0.1750018900000000, -0.2334757300000000, -0.1275583600000000 ] - [ 0.0013277600000000, 0.0002369300000000, 0.0005812400000000 ] - [ -0.0002895100000000, 0.0005426000000000, 0.0005261100000000 ] - [ -0.0001629400000000, 0.0003388500000000, 0.0009849000000000 ] - [ -0.0001649400000000, 0.0006660800000000, -0.0003685700000000 ] - [ 0.0001730400000000, 0.0007625400000000, -0.0000498600000000 ] - [ -0.0009580400000000, 0.0014112300000000, 0.0016277300000000 ] - [ -0.0001713600000000, -0.0001205400000000, -0.0002240100000000 ] - [ 0.0015177700000000, -0.0025525900000000, 0.0002211500000000 ] - [ 0.0013090200000000, 0.0032398200000000, -0.0005264600000000 ] - [ -0.0007695200000000, 0.0010772300000000, -0.0016325300000000 ] - [ 0.0004986700000000, -0.0008483100000000, -0.0001492200000000 ] - [ 0.0004737700000000, -0.0000344200000000, 0.0000539800000000 ] - [ 0.0007525500000000, -0.0004604900000000, 0.0007068900000000 ] - [ 0.0000925000000000, 0.0003958500000000, -0.0000736900000000 ] - [ 0.0001926300000000, 0.0000495700000000, 0.0001414900000000 ] - [ 0.0011885700000000, 0.0005387600000000, -0.0019470200000000 ] - [ 0.0001057200000000, -0.0018993400000000, 0.0012398300000000 ] - [ 0.0016734600000000, 0.0009482600000000, -0.0010555200000000 ] - [ 0.0018771800000000, -0.0032697300000000, 0.0011210700000000 ] - [ -0.0016870300000000, -0.0010242300000000, -0.0001526700000000 ] - [ 0.0008161600000000, 0.0002072600000000, 0.0013348300000000 ] - [ -0.0000365500000000, 0.0006868000000000, 0.0002038500000000 ] - [ 0.0001900100000000, 0.0005560100000000, 0.0005066100000000 ] - [ -0.0013250300000000, 0.0009146400000000, -0.0009569700000000 ] - [ 0.0007384800000000, -0.0006376800000000, -0.0004976200000000 ] - [ 0.0000640900000000, 0.0006523400000000, 0.0002029600000000 ] - [ 0.0000687600000000, 0.0005561200000000, 0.0000764000000000 ] - [ -0.0019334700000000, -0.0024754100000000, -0.0017095400000000 ] - [ -0.0000688700000000, 0.0000538000000000, 0.0000869800000000 ] - [ -0.0064354700000000, 0.0385019500000000, 0.0208641400000000 ] - [ 0.0020257700000000, -0.0004493500000000, 0.0013069500000000 ] - [ 0.0001601700000000, 0.0005290300000000, -0.0008360200000000 ] - [ 0.0003435200000000, 0.0007015800000000, -0.0003283500000000 ] - [ -0.0003230000000000, 0.0002479200000000, -0.0003221600000000 ] - [ -0.0009081900000000, 0.0001275700000000, 0.0007434700000000 ] - [ 0.0007110300000000, 0.0001785800000000, -0.0002015600000000 ] - [ 0.0006193000000000, 0.0003529800000000, 0.0005928800000000 ] - [ -0.0008570300000000, 0.0002333100000000, -0.0004236000000000 ] - [ -0.0002818700000000, -0.0001701100000000, 0.0002772000000000 ] - [ -0.0022650100000000, 0.0021718100000000, -0.0009533500000000 ] - [ 0.0006522700000000, -0.0010620000000000, 0.0007234500000000 ] - [ -0.0002656600000000, -0.0000438000000000, 0.0008083400000000 ] - [ 0.0000302700000000, 0.0000597400000000, 0.0005647200000000 ] - [ 0.0002013900000000, -0.0001256600000000, -0.0009861700000000 ] - [ 0.0001078800000000, 0.0000675800000000, 0.0004535500000000 ] - [ -0.0004535800000000, -0.0003380400000000, 0.0003146500000000 ] - [ 0.0008912400000000, -0.0001925800000000, 0.0001062900000000 ] - [ 0.0001576800000000, -0.0004444200000000, 0.0010344700000000 ] - [ 0.0006037200000000, -0.0000668000000000, -0.0000564000000000 ]- atom: 87 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0000784800000000, -0.0008172400000000, 0.0000182000000000 ] - [ -0.0000191500000000, -0.0007788800000000, 0.0004854600000000 ] - [ -0.0003443100000000, 0.0009483400000000, -0.0004625900000000 ] - [ 0.0007684000000000, 0.0006473700000000, -0.0009184800000000 ] - [ -0.0006295100000000, 0.0014121500000000, -0.0002950600000000 ] - [ 0.0003614000000000, 0.0008621100000000, 0.0009432800000000 ] - [ -0.0041456900000000, 0.0006334900000000, -0.0034618000000000 ] - [ 0.0017080500000000, 0.0004493900000000, 0.0001108200000000 ] - [ -0.0006434300000000, -0.0004203300000000, 0.0003039800000000 ] - [ 0.0001242600000000, -0.0005516600000000, 0.0006293000000000 ] - [ -0.0003637200000000, 0.0005091000000000, 0.0006302700000000 ] - [ -0.0001579300000000, 0.0006874800000000, 0.0009243300000000 ] - [ -0.0013448100000000, -0.0013586600000000, 0.0043898600000000 ] - [ 0.0012156700000000, -0.0010612000000000, -0.0007444600000000 ] - [ 0.0003778000000000, 0.0005898800000000, -0.0010938800000000 ] - [ 0.0001729500000000, 0.0003989500000000, 0.0008253100000000 ] - [ -0.0017463300000000, -0.0023889400000000, -0.0023719300000000 ] - [ 0.0061654700000000, -0.0022997300000000, 0.0022354600000000 ] - [ -0.0002500400000000, -0.0012203900000000, -0.0007560200000000 ] - [ 0.0004403700000000, -0.0009314700000000, 0.0004376800000000 ] - [ -0.0038621600000000, 0.0036642800000000, -0.0001796600000000 ] - [ 0.0015514500000000, 0.0013136200000000, -0.0000365400000000 ] - [ 0.0005607500000000, -0.0003696000000000, -0.0014907400000000 ] - [ 0.0000436200000000, -0.0007293500000000, 0.0002792000000000 ] - [ -0.0003926500000000, 0.0005635800000000, 0.0002723800000000 ] - [ 0.0000375600000000, 0.0005823900000000, 0.0002932900000000 ] - [ 0.0000834900000000, 0.0005492700000000, -0.0001792600000000 ] - [ 0.0002146500000000, 0.0005036900000000, 0.0000505600000000 ] - [ 0.0017981700000000, 0.0019903200000000, -0.0001209500000000 ] - [ 0.0002769300000000, -0.0006152800000000, -0.0003660900000000 ] - [ -0.0000633900000000, 0.0003529200000000, -0.0000196400000000 ] - [ -0.0000343900000000, 0.0003589100000000, 0.0000777100000000 ] - [ -0.0019905500000000, -0.0003531700000000, -0.0001701500000000 ] - [ 0.0005586600000000, -0.0002516500000000, 0.0005538700000000 ] - [ 0.0000560400000000, 0.0003753500000000, 0.0000054700000000 ] - [ 0.0001041500000000, 0.0004689200000000, 0.0003953500000000 ] - [ -0.0032466800000000, -0.0001771400000000, -0.0005934000000000 ] - [ 0.0006956100000000, -0.0004528900000000, -0.0001101500000000 ] - [ -0.0027707300000000, 0.0013431800000000, -0.0008495600000000 ] - [ 0.0008689200000000, -0.0006073200000000, -0.0001133200000000 ] - [ -0.0009666700000000, 0.0017109000000000, 0.0000977400000000 ] - [ -0.0000061500000000, -0.0000736000000000, 0.0009573500000000 ] - [ -0.1652585100000000, -0.2007569800000000, -0.1105309800000000 ] - [ 0.0006864600000000, 0.0023956300000000, 0.0001907200000000 ] - [ 0.0000066500000000, -0.0000777600000000, -0.0000039400000000 ] - [ 0.0000274800000000, 0.0000600000000000, 0.0000171000000000 ] - [ 0.0000587600000000, -0.0001856700000000, -0.0007908100000000 ] - [ 0.0002701000000000, -0.0005738600000000, -0.0007240700000000 ] - [ -0.0002862000000000, -0.0000373200000000, -0.0003417900000000 ] - [ -0.0006454300000000, 0.0000330300000000, -0.0003071700000000 ] - [ -0.0020609400000000, 0.0036535600000000, -0.0020325400000000 ] - [ 0.0004113600000000, -0.0015000000000000, 0.0004717500000000 ] - [ 0.0002257300000000, 0.0002248000000000, -0.0003507300000000 ] - [ 0.0002958100000000, 0.0003615500000000, -0.0003357700000000 ] - [ 0.0007630300000000, 0.0000799600000000, -0.0000917800000000 ] - [ -0.0000052500000000, -0.0002522200000000, 0.0012602800000000 ] - [ 0.0001123900000000, -0.0000437200000000, -0.0006609100000000 ] - [ -0.0010803300000000, 0.0001111700000000, 0.0004153500000000 ] - [ -0.0005534400000000, 0.0000306300000000, 0.0024818300000000 ] - [ 0.0006696700000000, 0.0000091700000000, -0.0000621400000000 ] - [ -0.0015138300000000, -0.0034354400000000, -0.0030344000000000 ] - [ 0.0002115700000000, 0.0005189200000000, 0.0004944400000000 ] - [ 0.0001924900000000, 0.0006048600000000, 0.0008748500000000 ] - [ -0.0016208300000000, -0.0029623300000000, -0.0008368900000000 ] - [ -0.0005782700000000, -0.0014234700000000, -0.0003369000000000 ] - [ 0.0006171900000000, 0.0020401700000000, 0.0008994600000000 ] - [ 0.0003265500000000, -0.0006807900000000, 0.0004191000000000 ] - [ -0.0001192400000000, -0.0000430100000000, 0.0004707300000000 ] - [ -0.0001330100000000, -0.0003649300000000, 0.0007686500000000 ] - [ 0.0000351900000000, 0.0000302100000000, 0.0008781800000000 ] - [ -0.0000043000000000, 0.0002028000000000, -0.0002333900000000 ] - [ 0.0001564300000000, -0.0004412100000000, 0.0004506200000000 ] - [ 0.0010976900000000, -0.0003932200000000, -0.0018334200000000 ] - [ -0.0003365000000000, 0.0000642200000000, -0.0001815700000000 ] - [ -0.0003656200000000, -0.0000248500000000, 0.0001277800000000 ] - [ -0.0004885500000000, -0.0000410900000000, -0.0000457800000000 ] - [ -0.0001538600000000, -0.0005184000000000, -0.0002621400000000 ] - [ 0.0001235700000000, -0.0006257500000000, -0.0005479200000000 ] - [ 0.0016309500000000, -0.0006461400000000, 0.0044220900000000 ] - [ -0.0002057300000000, 0.0002372700000000, -0.0002383900000000 ] - [ 0.0003626300000000, 0.0005546000000000, 0.0004662700000000 ] - [ -0.0002021400000000, 0.0005934900000000, 0.0003172200000000 ] - [ 0.0008687000000000, 0.0014818500000000, 0.0000325100000000 ] - [ -0.0016454100000000, -0.0015066600000000, 0.0002246200000000 ] - [ 0.0005858200000000, 0.0015351400000000, -0.0003952500000000 ] - [ -0.0005230300000000, -0.0005698300000000, -0.0005325100000000 ] - [ 0.1735314000000000, 0.2376234400000000, 0.1310024500000000 ] - [ -0.0012192400000000, -0.0015550800000000, -0.0000737100000000 ] - [ -0.0001990900000000, 0.0004952200000000, 0.0007546400000000 ] - [ -0.0003252800000000, 0.0006986600000000, 0.0002977800000000 ] - [ 0.0000656700000000, 0.0006584300000000, -0.0001388000000000 ] - [ -0.0002684300000000, 0.0005650600000000, -0.0004538800000000 ] - [ -0.0001715900000000, -0.0017589700000000, -0.0014486300000000 ] - [ -0.0009506200000000, -0.0002366200000000, 0.0003903000000000 ] - [ -0.0014384200000000, 0.0014711000000000, -0.0001318600000000 ] - [ -0.0012096300000000, -0.0043275400000000, 0.0006234500000000 ] - [ 0.0006668000000000, -0.0023893500000000, 0.0011191900000000 ] - [ -0.0005943400000000, -0.0004796200000000, -0.0003549100000000 ] - [ 0.0006702800000000, -0.0003164400000000, 0.0004282500000000 ] - [ 0.0003930400000000, 0.0001047400000000, -0.0002185900000000 ] - [ -0.0001941500000000, 0.0007058500000000, -0.0000185600000000 ] - [ -0.0002928700000000, 0.0010473800000000, -0.0002303300000000 ] - [ -0.0011573700000000, -0.0016602100000000, 0.0026882800000000 ] - [ -0.0000843100000000, 0.0007494500000000, -0.0004642900000000 ] - [ -0.0009047200000000, -0.0010195600000000, 0.0008393400000000 ] - [ -0.0010858000000000, 0.0032076500000000, -0.0013239800000000 ] - [ 0.0015502100000000, 0.0008844300000000, 0.0009923300000000 ] - [ -0.0009340100000000, -0.0003321200000000, -0.0004752900000000 ] - [ 0.0001323000000000, 0.0006424700000000, 0.0002994300000000 ] - [ -0.0000927400000000, 0.0007712300000000, -0.0000002400000000 ] - [ 0.0018103600000000, -0.0019425600000000, -0.0003241800000000 ] - [ -0.0002489800000000, -0.0004005500000000, -0.0007820300000000 ] - [ 0.0000379400000000, 0.0004497400000000, -0.0001112200000000 ] - [ 0.0000332500000000, 0.0005450200000000, 0.0000137600000000 ] - [ 0.0007812000000000, 0.0021135500000000, 0.0012199000000000 ] - [ -0.0010705300000000, -0.0004038600000000, -0.0005687300000000 ] - [ 0.0063738000000000, -0.0397808500000000, -0.0197052800000000 ] - [ -0.0024939300000000, -0.0005891700000000, -0.0000177300000000 ] - [ 0.0003270800000000, 0.0005081700000000, -0.0004469300000000 ] - [ 0.0001445900000000, 0.0003354600000000, -0.0009525300000000 ] - [ -0.0008016300000000, 0.0001088100000000, 0.0004924000000000 ] - [ -0.0002174900000000, 0.0002297100000000, -0.0005726100000000 ] - [ 0.0004170300000000, 0.0001776300000000, 0.0000243600000000 ] - [ 0.0005017000000000, 0.0000073200000000, -0.0007525200000000 ] - [ -0.0002853800000000, 0.0001227300000000, -0.0000665000000000 ] - [ -0.0008617800000000, 0.0005210300000000, -0.0007578400000000 ] - [ 0.0014798000000000, -0.0022237500000000, 0.0011687400000000 ] - [ -0.0014357600000000, 0.0010220500000000, -0.0005124900000000 ] - [ 0.0001383000000000, 0.0001727100000000, 0.0000355700000000 ] - [ -0.0001618000000000, 0.0000684500000000, 0.0002892000000000 ] - [ -0.0000724500000000, -0.0000022400000000, 0.0001398000000000 ] - [ 0.0000200200000000, -0.0001964900000000, -0.0013008600000000 ] - [ 0.0015772300000000, -0.0000221700000000, -0.0004869200000000 ] - [ 0.0002355200000000, -0.0001640000000000, -0.0002765300000000 ] - [ 0.0006215300000000, 0.0004980400000000, -0.0012456700000000 ] - [ 0.0001798500000000, 0.0001201000000000, -0.0001610900000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000430200000000, -0.0010117700000000, 0.0000786500000000 ] - [ -0.0000878000000000, -0.0009525500000000, -0.0000973900000000 ] - [ 0.0008064300000000, 0.0004493500000000, -0.0001342900000000 ] - [ -0.0000071700000000, 0.0006615100000000, -0.0005751200000000 ] - [ -0.0006932000000000, -0.0006899000000000, 0.0014381500000000 ] - [ -0.0000678700000000, -0.0002605000000000, 0.0011623600000000 ] - [ 0.0010751700000000, 0.0009847100000000, 0.0084336200000000 ] - [ -0.0003267100000000, 0.0006646500000000, 0.0000752000000000 ] - [ -0.0001688000000000, -0.0009555400000000, -0.0005484600000000 ] - [ -0.0002729600000000, -0.0006051300000000, 0.0002328500000000 ] - [ -0.0002882100000000, 0.0007103600000000, 0.0004775000000000 ] - [ -0.0002735500000000, 0.0004227000000000, 0.0002193200000000 ] - [ 0.0022846500000000, -0.0003413900000000, -0.0093048500000000 ] - [ -0.0003030100000000, -0.0002908600000000, -0.0005229000000000 ] - [ 0.0003845000000000, 0.0009485200000000, -0.0000737200000000 ] - [ 0.0000687000000000, 0.0009310600000000, -0.0005375900000000 ] - [ -0.0033354100000000, 0.0041719400000000, 0.0020900300000000 ] - [ -0.0038863200000000, 0.0065696800000000, 0.0015001000000000 ] - [ 0.0000446000000000, -0.0001915700000000, 0.0001223000000000 ] - [ -0.0002911100000000, -0.0004674400000000, -0.0006355000000000 ] - [ -0.0005769800000000, 0.0042971500000000, 0.0006018400000000 ] - [ -0.0005253000000000, 0.0010819000000000, 0.0007220600000000 ] - [ 0.0005511700000000, -0.0017534100000000, -0.0010191500000000 ] - [ -0.0001474000000000, -0.0016914400000000, -0.0013461300000000 ] - [ -0.0000484800000000, 0.0003194600000000, 0.0000223900000000 ] - [ -0.0003094000000000, 0.0004004400000000, -0.0000492600000000 ] - [ 0.0001624000000000, 0.0005602300000000, -0.0002617000000000 ] - [ 0.0000699000000000, 0.0006220100000000, -0.0003064500000000 ] - [ -0.0029297000000000, -0.0060829600000000, 0.0003134700000000 ] - [ -0.0000168600000000, -0.0007909200000000, 0.0000844100000000 ] - [ 0.0000637000000000, 0.0004637400000000, -0.0001464800000000 ] - [ -0.0001005800000000, 0.0004008300000000, -0.0002214100000000 ] - [ 0.0012549300000000, 0.0004543400000000, -0.0020809900000000 ] - [ -0.0004958600000000, -0.0002028200000000, -0.0001038900000000 ] - [ 0.0000740600000000, 0.0002667200000000, -0.0000422700000000 ] - [ 0.0000794700000000, 0.0000729900000000, -0.0002414200000000 ] - [ 0.0007596700000000, 0.0018967600000000, 0.0008744500000000 ] - [ 0.0002645600000000, 0.0000822000000000, -0.0000625100000000 ] - [ 0.0032013400000000, -0.0047894300000000, 0.0003667900000000 ] - [ -0.0002010700000000, -0.0010970000000000, 0.0000255800000000 ] - [ 0.0030623200000000, -0.0040684300000000, 0.0037926300000000 ] - [ 0.0000037700000000, 0.0001134400000000, 0.0008778600000000 ] - [ 0.1904939200000000, 0.4099257100000000, 0.1903225700000000 ] - [ 0.0000146700000000, -0.0004273400000000, -0.0011771700000000 ] - [ 0.0000835700000000, -0.0003799000000000, 0.0000869100000000 ] - [ 0.0002588000000000, -0.0010506700000000, 0.0000531900000000 ] - [ 0.0000783200000000, -0.0002423000000000, -0.0008045100000000 ] - [ -0.0000049600000000, -0.0000371400000000, -0.0008486700000000 ] - [ 0.0000626100000000, -0.0000245500000000, -0.0011236000000000 ] - [ -0.0004613300000000, 0.0000323100000000, -0.0004271700000000 ] - [ 0.0011793100000000, -0.0014812400000000, 0.0001736100000000 ] - [ 0.0010935500000000, -0.0035196600000000, 0.0012680100000000 ] - [ 0.0000776300000000, -0.0000431000000000, -0.0004144000000000 ] - [ 0.0001226200000000, 0.0000560400000000, -0.0003993300000000 ] - [ 0.0007104500000000, 0.0000752000000000, -0.0001492100000000 ] - [ 0.0008729100000000, 0.0000601000000000, -0.0001772600000000 ] - [ -0.0004229100000000, -0.0001105600000000, -0.0016243700000000 ] - [ 0.0006764100000000, -0.0003499800000000, -0.0023180200000000 ] - [ -0.0002697200000000, 0.0016089100000000, 0.0012398200000000 ] - [ 0.0003188800000000, 0.0001715800000000, 0.0008767000000000 ] - [ 0.0024677400000000, 0.0048409400000000, 0.0047844100000000 ] - [ -0.0000961900000000, -0.0004276700000000, -0.0001400200000000 ] - [ 0.0002484900000000, 0.0013190800000000, 0.0013462100000000 ] - [ 0.0010488400000000, 0.0022942100000000, 0.0014575400000000 ] - [ 0.0020389500000000, 0.0058786900000000, 0.0011242100000000 ] - [ -0.0000794400000000, 0.0001899500000000, -0.0000420400000000 ] - [ -0.0010805300000000, 0.0017535700000000, 0.0001851100000000 ] - [ -0.0003638900000000, 0.0005752500000000, 0.0002403400000000 ] - [ -0.0001034300000000, -0.0002512500000000, 0.0007879500000000 ] - [ -0.0000809500000000, -0.0002015300000000, 0.0008228600000000 ] - [ 0.0003806200000000, -0.0005764300000000, 0.0006273900000000 ] - [ -0.0000149500000000, 0.0001097400000000, -0.0000698100000000 ] - [ 0.0001361500000000, 0.0000528300000000, -0.0006982500000000 ] - [ 0.0003153800000000, 0.0001281200000000, -0.0006754400000000 ] - [ -0.0003487100000000, 0.0001880600000000, 0.0003154400000000 ] - [ -0.0003453000000000, 0.0001037600000000, 0.0002260100000000 ] - [ -0.0000489600000000, -0.0002788300000000, -0.0003018200000000 ] - [ -0.0000957600000000, 0.0002113000000000, -0.0001171900000000 ] - [ 0.0017535600000000, -0.0010244000000000, -0.0058249200000000 ] - [ 0.0010575400000000, -0.0006387200000000, 0.0007001900000000 ] - [ -0.0004701100000000, 0.0011906000000000, -0.0003060000000000 ] - [ -0.0000141800000000, 0.0007834900000000, 0.0002702200000000 ] - [ -0.0019885700000000, -0.0010126700000000, -0.0010923200000000 ] - [ 0.0006907900000000, -0.0012908700000000, -0.0018142800000000 ] - [ -0.0021332100000000, -0.0026252200000000, -0.0030753000000000 ] - [ 0.0002732800000000, 0.0004531200000000, -0.0006578400000000 ] - [ -0.2282102200000000, -0.4753695800000000, -0.2292487100000000 ] - [ 0.0009387400000000, -0.0007220300000000, 0.0000769000000000 ] - [ -0.0003262000000000, 0.0004354900000000, 0.0006681400000000 ] - [ -0.0001288100000000, 0.0003631700000000, 0.0008250200000000 ] - [ -0.0000443300000000, 0.0006502200000000, -0.0002833400000000 ] - [ 0.0000500800000000, 0.0005455700000000, -0.0001216200000000 ] - [ -0.0012235200000000, 0.0053077000000000, -0.0019794600000000 ] - [ -0.0003109100000000, 0.0000965300000000, -0.0003030200000000 ] - [ -0.0043049400000000, 0.0015025700000000, -0.0007152700000000 ] - [ 0.0018672300000000, 0.0008147300000000, -0.0003281700000000 ] - [ -0.0017812900000000, 0.0047158700000000, -0.0022988100000000 ] - [ 0.0001350000000000, -0.0002933700000000, -0.0002170300000000 ] - [ 0.0003168600000000, 0.0003861700000000, -0.0001284300000000 ] - [ 0.0005938900000000, -0.0001141000000000, 0.0003522600000000 ] - [ 0.0001025800000000, 0.0003332100000000, 0.0000744200000000 ] - [ 0.0003478200000000, -0.0004073900000000, 0.0001409800000000 ] - [ 0.0003742700000000, -0.0008787400000000, -0.0000187100000000 ] - [ -0.0000947100000000, -0.0050947000000000, 0.0018800800000000 ] - [ -0.0000106800000000, -0.0015810800000000, -0.0007657200000000 ] - [ 0.0002327800000000, -0.0020364900000000, -0.0002791400000000 ] - [ -0.0020657800000000, 0.0001090000000000, 0.0011533400000000 ] - [ 0.0013235600000000, 0.0006513800000000, 0.0020754800000000 ] - [ 0.0000256700000000, 0.0006771300000000, 0.0003200600000000 ] - [ 0.0001549400000000, 0.0006286000000000, 0.0004997000000000 ] - [ -0.0011232400000000, 0.0054405500000000, 0.0005717000000000 ] - [ 0.0001527700000000, -0.0003738800000000, -0.0005307000000000 ] - [ 0.0000457600000000, 0.0006945000000000, 0.0001120500000000 ] - [ 0.0001459000000000, 0.0006994900000000, 0.0001288600000000 ] - [ -0.0023528000000000, -0.0039165300000000, -0.0025668600000000 ] - [ -0.0003607900000000, -0.0002154100000000, -0.0001642800000000 ] - [ 0.0390246000000000, 0.0449431700000000, 0.0376569100000000 ] - [ 0.0003873300000000, -0.0005265000000000, 0.0008074800000000 ] - [ 0.0002727600000000, 0.0005836000000000, -0.0007901400000000 ] - [ 0.0001723300000000, 0.0005973300000000, -0.0006565400000000 ] - [ -0.0007907700000000, 0.0000528800000000, 0.0005700200000000 ] - [ -0.0006932600000000, 0.0001050700000000, 0.0005661500000000 ] - [ 0.0002525400000000, 0.0004515100000000, 0.0009736900000000 ] - [ 0.0003789300000000, 0.0006771300000000, 0.0011085000000000 ] - [ -0.0001834800000000, 0.0008142400000000, -0.0010557300000000 ] - [ -0.0004492600000000, 0.0002837700000000, -0.0001758500000000 ] - [ 0.0003209600000000, 0.0015474300000000, -0.0000139300000000 ] - [ -0.0011511300000000, 0.0028479600000000, -0.0011103300000000 ] - [ -0.0006099300000000, -0.0001223500000000, 0.0013418700000000 ] - [ -0.0000291300000000, 0.0000202100000000, 0.0005139900000000 ] - [ -0.0003722000000000, -0.0000327000000000, 0.0001595800000000 ] - [ 0.0002063700000000, -0.0000846800000000, 0.0002166000000000 ] - [ 0.0005076600000000, -0.0013777000000000, 0.0014218500000000 ] - [ 0.0005808500000000, -0.0003231600000000, -0.0000808400000000 ] - [ 0.0002690500000000, -0.0006756400000000, 0.0016909000000000 ] - [ 0.0005896800000000, -0.0001422500000000, 0.0000962300000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000359600000000, -0.0006223200000000, 0.0001750300000000 ] - [ 0.0000105800000000, -0.0006826400000000, 0.0003528500000000 ] - [ -0.0002573200000000, 0.0007045900000000, -0.0010176000000000 ] - [ 0.0005630700000000, 0.0004910800000000, -0.0005808600000000 ] - [ 0.0002031300000000, 0.0018169000000000, -0.0005446100000000 ] - [ -0.0004097000000000, 0.0013876400000000, -0.0002655000000000 ] - [ -0.0010247200000000, 0.0005566400000000, -0.0086517700000000 ] - [ 0.0004088800000000, 0.0009689900000000, -0.0003260400000000 ] - [ -0.0003160000000000, -0.0001662200000000, 0.0014461800000000 ] - [ -0.0002105900000000, -0.0005196600000000, 0.0006627400000000 ] - [ -0.0002645700000000, 0.0004421900000000, 0.0006850300000000 ] - [ -0.0002802300000000, 0.0007321100000000, 0.0009435100000000 ] - [ -0.0018237400000000, -0.0007904600000000, 0.0084373500000000 ] - [ 0.0007944800000000, -0.0008360300000000, -0.0003721200000000 ] - [ 0.0000960200000000, 0.0001749700000000, -0.0008196200000000 ] - [ 0.0004178200000000, 0.0001921900000000, -0.0003506700000000 ] - [ 0.0028367600000000, -0.0053194100000000, -0.0009625100000000 ] - [ 0.0033194900000000, -0.0077507300000000, -0.0003722700000000 ] - [ 0.0000310200000000, -0.0014451500000000, -0.0003720600000000 ] - [ 0.0003735700000000, -0.0011678200000000, 0.0003940300000000 ] - [ 0.0003826500000000, -0.0021169400000000, -0.0006364100000000 ] - [ 0.0004524700000000, 0.0005527700000000, -0.0004758000000000 ] - [ 0.0000017500000000, 0.0005986200000000, -0.0001422300000000 ] - [ 0.0007010900000000, 0.0005352300000000, 0.0001884600000000 ] - [ -0.0002334300000000, 0.0007477200000000, 0.0002637600000000 ] - [ 0.0000311700000000, 0.0006675700000000, 0.0003371200000000 ] - [ 0.0001163900000000, 0.0005068200000000, -0.0000193800000000 ] - [ 0.0002107000000000, 0.0004447000000000, 0.0000246700000000 ] - [ 0.0028511000000000, 0.0053630800000000, -0.0004170700000000 ] - [ -0.0000651700000000, 0.0000550800000000, -0.0001819700000000 ] - [ -0.0001466800000000, 0.0002686700000000, 0.0000578200000000 ] - [ 0.0000196500000000, 0.0003322100000000, 0.0001333500000000 ] - [ -0.0015977300000000, -0.0014922700000000, 0.0024325600000000 ] - [ 0.0002184400000000, -0.0008628500000000, 0.0003877500000000 ] - [ 0.0000087200000000, 0.0004664500000000, 0.0001359700000000 ] - [ 0.0000031900000000, 0.0006614900000000, 0.0003371700000000 ] - [ -0.0005898800000000, -0.0026218000000000, -0.0006800100000000 ] - [ -0.0001835700000000, -0.0008147100000000, 0.0001505400000000 ] - [ -0.0029285000000000, 0.0037132100000000, -0.0006618600000000 ] - [ 0.0004834700000000, 0.0000293200000000, -0.0003148900000000 ] - [ -0.0032795000000000, 0.0046141500000000, -0.0022280900000000 ] - [ -0.0002090100000000, 0.0004140300000000, 0.0007046900000000 ] - [ -0.2047790100000000, -0.4292675000000000, -0.2064575500000000 ] - [ 0.0001942000000000, 0.0009700200000000, -0.0003964900000000 ] - [ -0.0000835900000000, 0.0003801300000000, -0.0000875800000000 ] - [ -0.0002581200000000, 0.0010463000000000, -0.0000537300000000 ] - [ 0.0001287400000000, -0.0002890100000000, -0.0007761800000000 ] - [ 0.0002123800000000, -0.0004955300000000, -0.0007323500000000 ] - [ -0.0010835800000000, 0.0001272600000000, 0.0003334300000000 ] - [ -0.0005510900000000, 0.0000728300000000, -0.0003758600000000 ] - [ -0.0007780400000000, 0.0010992700000000, -0.0009119300000000 ] - [ -0.0006799000000000, 0.0031202200000000, -0.0020002700000000 ] - [ 0.0003359700000000, 0.0004459100000000, -0.0003145700000000 ] - [ 0.0002924500000000, 0.0003495300000000, -0.0003286300000000 ] - [ 0.0002992100000000, -0.0001823800000000, 0.0009579600000000 ] - [ 0.0001350000000000, -0.0001674600000000, 0.0009874400000000 ] - [ -0.0005861300000000, 0.0000052300000000, 0.0008163800000000 ] - [ -0.0016914400000000, 0.0002454200000000, 0.0015189300000000 ] - [ 0.0012742100000000, -0.0014984800000000, -0.0004212400000000 ] - [ 0.0006925500000000, -0.0000658500000000, -0.0000729200000000 ] - [ -0.0024727500000000, -0.0048556400000000, -0.0048015200000000 ] - [ 0.0000996300000000, 0.0004353400000000, 0.0001464900000000 ] - [ -0.0006650800000000, -0.0017420100000000, -0.0006303300000000 ] - [ -0.0014559900000000, -0.0026920100000000, -0.0007253200000000 ] - [ -0.0020482700000000, -0.0059010800000000, -0.0011318200000000 ] - [ 0.0000829600000000, -0.0001774700000000, 0.0000461600000000 ] - [ 0.0006723900000000, -0.0013593700000000, 0.0005436200000000 ] - [ -0.0000459800000000, -0.0001798800000000, 0.0004908400000000 ] - [ -0.0000986500000000, -0.0002718700000000, 0.0007965300000000 ] - [ -0.0001220100000000, -0.0003229400000000, 0.0007605900000000 ] - [ -0.0003779300000000, 0.0005715800000000, -0.0006225500000000 ] - [ 0.0000167100000000, -0.0001146800000000, 0.0000746100000000 ] - [ -0.0000043500000000, 0.0000721800000000, -0.0001514400000000 ] - [ -0.0001928700000000, 0.0000025200000000, -0.0001652300000000 ] - [ -0.0004310600000000, -0.0001321400000000, -0.0001006300000000 ] - [ -0.0004360600000000, -0.0000501700000000, -0.0000121700000000 ] - [ 0.0000274600000000, -0.0008536400000000, -0.0004645700000000 ] - [ 0.0000734100000000, -0.0013449600000000, -0.0006499700000000 ] - [ -0.0006005400000000, 0.0013676000000000, 0.0063277400000000 ] - [ 0.0000821100000000, 0.0009946000000000, -0.0002224500000000 ] - [ 0.0004893100000000, -0.0000524800000000, 0.0010675700000000 ] - [ 0.0000358100000000, 0.0003526800000000, 0.0004937700000000 ] - [ 0.0018803400000000, -0.0000801400000000, 0.0009954200000000 ] - [ -0.0007844900000000, 0.0002130400000000, 0.0017408500000000 ] - [ 0.0021190400000000, 0.0037667500000000, 0.0023151000000000 ] - [ -0.0002962300000000, 0.0006774900000000, -0.0001080700000000 ] - [ 0.2436175300000000, 0.4937336800000000, 0.2451595800000000 ] - [ -0.0008533400000000, -0.0006148400000000, 0.0004321200000000 ] - [ -0.0001581200000000, 0.0005972900000000, 0.0006151500000000 ] - [ -0.0003583700000000, 0.0006715700000000, 0.0004556100000000 ] - [ -0.0000521500000000, 0.0006765500000000, -0.0002251900000000 ] - [ -0.0001469400000000, 0.0007847300000000, -0.0003862100000000 ] - [ 0.0000983000000000, -0.0056571000000000, 0.0021360300000000 ] - [ -0.0008136800000000, -0.0004550300000000, 0.0004716900000000 ] - [ 0.0044016600000000, -0.0026048700000000, 0.0008123400000000 ] - [ -0.0017617500000000, -0.0019246600000000, 0.0004204400000000 ] - [ 0.0016904000000000, -0.0060498200000000, 0.0018132500000000 ] - [ -0.0002319500000000, -0.0010356900000000, -0.0002872100000000 ] - [ 0.0008283100000000, -0.0007385800000000, 0.0006092400000000 ] - [ 0.0005502700000000, -0.0002386000000000, 0.0001288900000000 ] - [ -0.0002043500000000, 0.0007679500000000, -0.0001673400000000 ] - [ -0.0004480400000000, 0.0015066100000000, -0.0002324500000000 ] - [ -0.0003590300000000, -0.0002609400000000, 0.0007937600000000 ] - [ 0.0001123900000000, 0.0039726500000000, -0.0011278700000000 ] - [ 0.0008104300000000, 0.0015384300000000, 0.0005520900000000 ] - [ 0.0005368500000000, 0.0019810500000000, 0.0000558100000000 ] - [ 0.0019488600000000, -0.0002335800000000, -0.0003018000000000 ] - [ -0.0014577700000000, -0.0007868700000000, -0.0012422200000000 ] - [ 0.0000684600000000, 0.0006568500000000, 0.0001822000000000 ] - [ -0.0000610300000000, 0.0007035900000000, 0.0000022100000000 ] - [ 0.0016209600000000, -0.0064900000000000, -0.0018467500000000 ] - [ 0.0003324300000000, -0.0006592600000000, -0.0007536000000000 ] - [ 0.0000531500000000, 0.0004010000000000, -0.0000251000000000 ] - [ -0.0000485100000000, 0.0003954100000000, -0.0000422200000000 ] - [ 0.0012148900000000, 0.0035731400000000, 0.0020876200000000 ] - [ -0.0007867600000000, -0.0001386300000000, -0.0003215400000000 ] - [ -0.0402304500000000, -0.0462643900000000, -0.0370850600000000 ] - [ -0.0008856400000000, -0.0005091700000000, 0.0004744700000000 ] - [ 0.0002122800000000, 0.0004476400000000, -0.0004962200000000 ] - [ 0.0003114800000000, 0.0004320500000000, -0.0006321700000000 ] - [ -0.0003317100000000, 0.0003044000000000, -0.0004054500000000 ] - [ -0.0004306600000000, 0.0002519700000000, -0.0004024300000000 ] - [ 0.0008704100000000, -0.0000940000000000, -0.0011416500000000 ] - [ 0.0007416800000000, -0.0003210000000000, -0.0012793600000000 ] - [ -0.0009601400000000, -0.0004572100000000, 0.0005694200000000 ] - [ -0.0006976200000000, 0.0000722900000000, -0.0003111800000000 ] - [ -0.0010862600000000, -0.0016158000000000, 0.0002422800000000 ] - [ 0.0003698900000000, -0.0029079700000000, 0.0013323600000000 ] - [ 0.0004921400000000, 0.0002555500000000, -0.0005168800000000 ] - [ -0.0000986300000000, 0.0001105300000000, 0.0003293500000000 ] - [ 0.0005006600000000, -0.0000998000000000, -0.0010030700000000 ] - [ -0.0000812600000000, -0.0000469000000000, -0.0010626000000000 ] - [ 0.0006151900000000, 0.0010183000000000, -0.0016071300000000 ] - [ 0.0005451700000000, -0.0000339400000000, -0.0000928400000000 ] - [ 0.0005120500000000, 0.0007378400000000, -0.0019203000000000 ] - [ 0.0001883000000000, 0.0001989200000000, -0.0003153500000000 ]- atom: 87 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0002267300000000, -0.0007862500000000, -0.0006989100000000 ] - [ -0.0002553700000000, -0.0007698900000000, -0.0005485600000000 ] - [ -0.0000111800000000, 0.0008805800000000, -0.0016709000000000 ] - [ 0.0004140600000000, 0.0007227000000000, -0.0013757500000000 ] - [ 0.0002474900000000, 0.0009409200000000, 0.0003114900000000 ] - [ -0.0006739600000000, 0.0005171000000000, 0.0006384100000000 ] - [ 0.0015143900000000, 0.0062280200000000, -0.0005326200000000 ] - [ 0.0002183000000000, 0.0007143900000000, 0.0003953900000000 ] - [ -0.0003245100000000, -0.0014769900000000, -0.0003656700000000 ] - [ -0.0001444600000000, -0.0006394000000000, 0.0003344100000000 ] - [ -0.0003730000000000, 0.0008643100000000, -0.0004778000000000 ] - [ -0.0002723100000000, 0.0004940700000000, -0.0000748800000000 ] - [ 0.0002407000000000, -0.0013661400000000, -0.0034634400000000 ] - [ 0.0005131700000000, -0.0007039500000000, -0.0006697200000000 ] - [ 0.0012797600000000, 0.0007833400000000, -0.0008706600000000 ] - [ -0.0008344300000000, 0.0008920800000000, -0.0010042400000000 ] - [ -0.0018699800000000, -0.0014030700000000, 0.0039631800000000 ] - [ -0.0012518300000000, 0.0014003500000000, 0.0023599000000000 ] - [ 0.0004052500000000, -0.0010258500000000, -0.0012616500000000 ] - [ -0.0002099300000000, -0.0008962100000000, -0.0008966300000000 ] - [ -0.0013054200000000, -0.0020301200000000, 0.0050380700000000 ] - [ 0.0004307200000000, 0.0011857700000000, 0.0007940700000000 ] - [ 0.0006962100000000, -0.0005341600000000, -0.0003042500000000 ] - [ -0.0002234700000000, -0.0005751900000000, 0.0001423900000000 ] - [ -0.0000814000000000, 0.0005152700000000, -0.0002599600000000 ] - [ -0.0002040100000000, 0.0005061700000000, -0.0001717700000000 ] - [ 0.0003534500000000, 0.0004364700000000, -0.0007357900000000 ] - [ 0.0000438200000000, 0.0005490000000000, -0.0004730000000000 ] - [ -0.0012956400000000, -0.0021889000000000, 0.0004061400000000 ] - [ 0.0000533700000000, -0.0004619500000000, 0.0003828100000000 ] - [ 0.0000541300000000, 0.0003838900000000, -0.0004247000000000 ] - [ -0.0002538000000000, 0.0002782100000000, -0.0005879400000000 ] - [ 0.0008889200000000, -0.0017209100000000, 0.0006436400000000 ] - [ -0.0002811000000000, -0.0005939700000000, 0.0005569100000000 ] - [ 0.0001526200000000, 0.0003425200000000, -0.0003186900000000 ] - [ -0.0000648400000000, 0.0003452500000000, -0.0003263700000000 ] - [ -0.0007069300000000, -0.0004392700000000, 0.0029239200000000 ] - [ 0.0005297700000000, -0.0003945000000000, 0.0002876400000000 ] - [ 0.0011029400000000, -0.0014099300000000, 0.0004979400000000 ] - [ 0.0002506400000000, -0.0006785400000000, 0.0002894100000000 ] - [ 0.0014277400000000, -0.0017137500000000, 0.0020251500000000 ] - [ 0.0000029400000000, 0.0000323800000000, 0.0008104600000000 ] - [ 0.0459241600000000, 0.1226382600000000, 0.1191479200000000 ] - [ 0.0004595400000000, 0.0014114300000000, -0.0004232400000000 ] - [ 0.0000002900000000, 0.0000088700000000, 0.0000204600000000 ] - [ -0.0001908700000000, 0.0006937500000000, -0.0000293100000000 ] - [ -0.0001111200000000, 0.0000743200000000, -0.0008348100000000 ] - [ -0.0001115600000000, 0.0002335000000000, -0.0009264400000000 ] - [ 0.0018704000000000, 0.0007871300000000, -0.0033904100000000 ] - [ -0.0004328200000000, 0.0000995800000000, -0.0005776200000000 ] - [ 0.0002180000000000, -0.0001405400000000, -0.0005260500000000 ] - [ 0.0004965600000000, -0.0014582700000000, 0.0000467800000000 ] - [ 0.0000078700000000, -0.0001234900000000, -0.0003935500000000 ] - [ 0.0000764800000000, -0.0000264700000000, -0.0003682600000000 ] - [ 0.0008649900000000, 0.0001996500000000, -0.0004980200000000 ] - [ 0.0006365700000000, 0.0000139800000000, 0.0002611700000000 ] - [ -0.0000873300000000, -0.0001506000000000, -0.0014933100000000 ] - [ -0.0001969800000000, -0.0001506800000000, -0.0008868500000000 ] - [ 0.0009708500000000, -0.0000171400000000, -0.0004121700000000 ] - [ 0.0005464400000000, 0.0000588400000000, 0.0002941800000000 ] - [ -0.0012294600000000, -0.0026897100000000, -0.0021400500000000 ] - [ -0.0000571600000000, -0.0001920500000000, -0.0000986300000000 ] - [ 0.0008634600000000, 0.0028611200000000, 0.0018759500000000 ] - [ 0.0003177200000000, 0.0007469000000000, 0.0005120500000000 ] - [ -0.0000028700000000, 0.0002087300000000, 0.0000728800000000 ] - [ 0.0003428200000000, 0.0009107600000000, 0.0003268000000000 ] - [ -0.0004414800000000, 0.0005967300000000, 0.0002823300000000 ] - [ -0.0003819300000000, 0.0004913300000000, 0.0003595400000000 ] - [ -0.0002227500000000, -0.0004535400000000, 0.0008074200000000 ] - [ -0.0002424600000000, -0.0005962800000000, 0.0007135900000000 ] - [ -0.0005631800000000, 0.0009057700000000, -0.0008900400000000 ] - [ -0.0000850800000000, 0.0001684300000000, -0.0002068600000000 ] - [ -0.0001393600000000, 0.0001611400000000, 0.0003063700000000 ] - [ 0.0000966900000000, 0.0000845400000000, -0.0002391200000000 ] - [ -0.0003525200000000, 0.0002329000000000, 0.0006656300000000 ] - [ -0.0002781200000000, 0.0000906800000000, 0.0004946500000000 ] - [ -0.0001149100000000, -0.0005799600000000, -0.0002492700000000 ] - [ 0.0003620900000000, -0.0009444900000000, -0.0002379200000000 ] - [ 0.0001976300000000, -0.0006993700000000, 0.0036050300000000 ] - [ 0.0007353700000000, 0.0000208500000000, 0.0003100500000000 ] - [ 0.0003559700000000, 0.0001494400000000, 0.0008628900000000 ] - [ -0.0002224900000000, 0.0005062700000000, 0.0004564500000000 ] - [ 0.0001895600000000, -0.0008955000000000, -0.0010637800000000 ] - [ -0.0008834300000000, -0.0028300600000000, -0.0018566400000000 ] - [ 0.0003024900000000, 0.0001569500000000, -0.0002159500000000 ] - [ -0.0004340700000000, 0.0000437400000000, -0.0004829800000000 ] - [ -0.0602849500000000, -0.1410873500000000, -0.1204377900000000 ] - [ -0.0000858000000000, -0.0011381200000000, -0.0003970900000000 ] - [ -0.0003285600000000, 0.0003338700000000, 0.0011595300000000 ] - [ 0.0000398900000000, 0.0002966700000000, 0.0011537700000000 ] - [ -0.0001155300000000, 0.0006331700000000, 0.0002019200000000 ] - [ 0.0000667100000000, 0.0007533800000000, 0.0001153500000000 ] - [ -0.0006065000000000, 0.0001239800000000, 0.0008919600000000 ] - [ -0.0008173500000000, -0.0001104900000000, 0.0000193100000000 ] - [ -0.0013098400000000, 0.0007627500000000, -0.0012385700000000 ] - [ -0.0000860200000000, -0.0009688900000000, -0.0008976500000000 ] - [ -0.0010906200000000, 0.0006623500000000, -0.0026982400000000 ] - [ -0.0001418500000000, -0.0006318900000000, -0.0005812500000000 ] - [ 0.0007041900000000, -0.0006315000000000, 0.0010805100000000 ] - [ 0.0006412400000000, -0.0002118100000000, 0.0005326800000000 ] - [ -0.0001020400000000, 0.0004653900000000, 0.0004829300000000 ] - [ 0.0001322500000000, 0.0004181900000000, 0.0003764900000000 ] - [ -0.0005237400000000, -0.0010809100000000, 0.0012635600000000 ] - [ 0.0004062800000000, -0.0008527900000000, 0.0006861500000000 ] - [ -0.0024160800000000, -0.0022066800000000, -0.0006275800000000 ] - [ 0.0012165100000000, -0.0008534400000000, -0.0009572800000000 ] - [ -0.0006542400000000, 0.0006249800000000, 0.0010972000000000 ] - [ 0.0003062500000000, 0.0001264000000000, 0.0007492600000000 ] - [ 0.0000315200000000, 0.0005924300000000, 0.0006980600000000 ] - [ 0.0002369300000000, 0.0004669900000000, 0.0006532500000000 ] - [ 0.0000555600000000, 0.0026818000000000, -0.0009317000000000 ] - [ 0.0000153600000000, -0.0004611400000000, -0.0009115300000000 ] - [ 0.0000521200000000, 0.0006174000000000, 0.0004112600000000 ] - [ 0.0002076300000000, 0.0006417600000000, 0.0004444200000000 ] - [ -0.0000931800000000, 0.0009623200000000, 0.0011013000000000 ] - [ -0.0006035100000000, -0.0001929100000000, -0.0000292000000000 ] - [ 0.0202230000000000, 0.0186598600000000, -0.0135488000000000 ] - [ -0.0013812000000000, -0.0004512200000000, -0.0001380900000000 ] - [ 0.0002085600000000, 0.0005842100000000, -0.0002285200000000 ] - [ 0.0004696100000000, 0.0006287100000000, -0.0002929500000000 ] - [ -0.0009586500000000, 0.0001559400000000, 0.0008769100000000 ] - [ -0.0002978700000000, 0.0003030000000000, 0.0003831600000000 ] - [ 0.0002098900000000, 0.0002281100000000, 0.0007831100000000 ] - [ 0.0006969500000000, 0.0002552800000000, 0.0003256000000000 ] - [ -0.0013366500000000, -0.0005529000000000, 0.0008467000000000 ] - [ -0.0003819400000000, -0.0000465700000000, -0.0002261300000000 ] - [ -0.0005382700000000, -0.0002304500000000, -0.0003579100000000 ] - [ -0.0008742100000000, 0.0011826100000000, -0.0007746500000000 ] - [ -0.0018011200000000, -0.0005930900000000, 0.0035813900000000 ] - [ 0.0000426500000000, 0.0000385300000000, 0.0006828900000000 ] - [ -0.0006665400000000, 0.0001892400000000, 0.0002773600000000 ] - [ 0.0003200000000000, 0.0000873600000000, -0.0002855100000000 ] - [ 0.0004259500000000, -0.0006205000000000, 0.0056208800000000 ] - [ 0.0003120600000000, -0.0001866200000000, -0.0000616000000000 ] - [ 0.0004993200000000, -0.0000996800000000, 0.0005419500000000 ] - [ 0.0005122800000000, -0.0000790100000000, 0.0003148300000000 ]- atom: 87 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0003037300000000, -0.0008481500000000, 0.0009485200000000 ] - [ 0.0001747400000000, -0.0008646600000000, 0.0007972500000000 ] - [ 0.0005692100000000, 0.0002710800000000, 0.0005099500000000 ] - [ 0.0001345600000000, 0.0004322800000000, 0.0002144400000000 ] - [ -0.0007298900000000, 0.0001768000000000, 0.0005837500000000 ] - [ 0.0001833400000000, 0.0006058500000000, 0.0002536600000000 ] - [ -0.0014372600000000, -0.0046126100000000, 0.0003571400000000 ] - [ -0.0001386100000000, 0.0009213300000000, -0.0006496500000000 ] - [ -0.0001618900000000, 0.0003442100000000, 0.0012568500000000 ] - [ -0.0003397800000000, -0.0004896500000000, 0.0005561300000000 ] - [ -0.0001804400000000, 0.0002920700000000, 0.0016321400000000 ] - [ -0.0002803400000000, 0.0006597500000000, 0.0012291900000000 ] - [ 0.0002636500000000, 0.0002513800000000, 0.0025093100000000 ] - [ -0.0000340100000000, -0.0004198700000000, -0.0002201900000000 ] - [ -0.0007880600000000, 0.0003458200000000, -0.0000252500000000 ] - [ 0.0013127500000000, 0.0002365200000000, 0.0001086500000000 ] - [ 0.0014921900000000, 0.0002378500000000, -0.0028718300000000 ] - [ 0.0006549900000000, -0.0025160400000000, -0.0011859000000000 ] - [ -0.0003231800000000, -0.0006040300000000, 0.0010100800000000 ] - [ 0.0002839300000000, -0.0007367900000000, 0.0006367100000000 ] - [ 0.0012238600000000, 0.0036835200000000, -0.0047803200000000 ] - [ -0.0005153500000000, 0.0004465400000000, -0.0005380800000000 ] - [ -0.0001445200000000, -0.0006212800000000, -0.0008510000000000 ] - [ 0.0007749100000000, -0.0005790600000000, -0.0013019100000000 ] - [ -0.0001955500000000, 0.0005519200000000, 0.0005424000000000 ] - [ -0.0000773100000000, 0.0005611600000000, 0.0004547100000000 ] - [ -0.0000732600000000, 0.0006310500000000, 0.0004482200000000 ] - [ 0.0002349800000000, 0.0005196300000000, 0.0001850400000000 ] - [ 0.0011869300000000, 0.0014183000000000, -0.0004901800000000 ] - [ -0.0001339500000000, -0.0002705800000000, -0.0004737600000000 ] - [ -0.0001342800000000, 0.0003501000000000, 0.0003302900000000 ] - [ 0.0001709600000000, 0.0004548400000000, 0.0004926700000000 ] - [ -0.0013167400000000, 0.0007248700000000, -0.0002162300000000 ] - [ 0.0000008400000000, -0.0004748400000000, -0.0002723900000000 ] - [ -0.0000714400000000, 0.0003903800000000, 0.0004088100000000 ] - [ 0.0001447500000000, 0.0003863800000000, 0.0004139200000000 ] - [ 0.0008806800000000, -0.0002429100000000, -0.0027628100000000 ] - [ -0.0004475900000000, -0.0003398200000000, -0.0001949000000000 ] - [ -0.0007954900000000, 0.0003137600000000, -0.0007745300000000 ] - [ 0.0000255400000000, -0.0003897000000000, -0.0005712800000000 ] - [ -0.0016307800000000, 0.0022409200000000, -0.0004496300000000 ] - [ -0.0002096700000000, 0.0004987600000000, 0.0007692100000000 ] - [ -0.0462410600000000, -0.1216517400000000, -0.1184740400000000 ] - [ -0.0002563600000000, -0.0008957400000000, -0.0011636400000000 ] - [ -0.0000002200000000, -0.0000084200000000, -0.0000205700000000 ] - [ 0.0001882800000000, -0.0006846500000000, 0.0000289300000000 ] - [ 0.0003177700000000, -0.0006061900000000, -0.0007439300000000 ] - [ 0.0003166600000000, -0.0007611900000000, -0.0006540700000000 ] - [ -0.0028671900000000, -0.0006765600000000, 0.0025636300000000 ] - [ -0.0005747100000000, 0.0000075200000000, -0.0002348000000000 ] - [ 0.0002001200000000, -0.0002705800000000, -0.0001987200000000 ] - [ -0.0000811300000000, 0.0010518700000000, -0.0007761300000000 ] - [ 0.0004037200000000, 0.0005226800000000, -0.0003364600000000 ] - [ 0.0003354600000000, 0.0004266600000000, -0.0003608700000000 ] - [ 0.0001452400000000, -0.0003048300000000, 0.0013039900000000 ] - [ 0.0003717600000000, -0.0001206000000000, 0.0005499400000000 ] - [ -0.0009231000000000, 0.0000427100000000, 0.0006743600000000 ] - [ -0.0008043400000000, 0.0000421700000000, 0.0000657000000000 ] - [ 0.0000479500000000, 0.0001251000000000, 0.0012012400000000 ] - [ 0.0004606900000000, 0.0000481000000000, 0.0005198100000000 ] - [ 0.0012481300000000, 0.0027293300000000, 0.0021715300000000 ] - [ 0.0000557200000000, 0.0001889600000000, 0.0000966200000000 ] - [ -0.0012648800000000, -0.0032300800000000, -0.0011300800000000 ] - [ -0.0007290600000000, -0.0011450900000000, 0.0002188200000000 ] - [ 0.0000170500000000, -0.0001779600000000, -0.0000629600000000 ] - [ -0.0003464700000000, -0.0009175100000000, -0.0003297100000000 ] - [ 0.0000195500000000, -0.0001798900000000, 0.0004458900000000 ] - [ -0.0000322400000000, -0.0000866900000000, 0.0003693300000000 ] - [ 0.0000172100000000, -0.0000752700000000, 0.0007741400000000 ] - [ 0.0000356200000000, 0.0000636800000000, 0.0008661700000000 ] - [ 0.0005599200000000, -0.0009010500000000, 0.0008849700000000 ] - [ 0.0000841800000000, -0.0001671900000000, 0.0002054900000000 ] - [ 0.0002598500000000, -0.0000273800000000, -0.0011410300000000 ] - [ 0.0000362600000000, 0.0000442500000000, -0.0006106500000000 ] - [ -0.0004286600000000, -0.0001781400000000, -0.0004463000000000 ] - [ -0.0005033500000000, -0.0000375600000000, -0.0002751700000000 ] - [ 0.0000926900000000, -0.0005529300000000, -0.0005163600000000 ] - [ -0.0003816400000000, -0.0001949900000000, -0.0005271200000000 ] - [ 0.0009518400000000, 0.0010666100000000, -0.0031759700000000 ] - [ 0.0004151400000000, 0.0003307000000000, 0.0001787000000000 ] - [ -0.0003303000000000, 0.0009813700000000, -0.0000907100000000 ] - [ 0.0002428700000000, 0.0006282500000000, 0.0003098100000000 ] - [ -0.0002940600000000, -0.0002109100000000, 0.0009665700000000 ] - [ 0.0007795700000000, 0.0017065000000000, 0.0017469100000000 ] - [ -0.0003355500000000, 0.0009617900000000, -0.0005587600000000 ] - [ 0.0004158000000000, 0.0010965600000000, -0.0002821500000000 ] - [ 0.0608824200000000, 0.1390869700000000, 0.1180972300000000 ] - [ 0.0001904000000000, -0.0001816900000000, 0.0009022700000000 ] - [ -0.0001620700000000, 0.0007046000000000, 0.0001228100000000 ] - [ -0.0005268300000000, 0.0007411200000000, 0.0001299800000000 ] - [ 0.0000167800000000, 0.0006915000000000, -0.0007071400000000 ] - [ -0.0001610700000000, 0.0005738500000000, -0.0006171200000000 ] - [ -0.0005219200000000, -0.0004586900000000, -0.0007080700000000 ] - [ -0.0003058500000000, -0.0002458100000000, 0.0001482500000000 ] - [ 0.0014048700000000, -0.0018622000000000, 0.0013232400000000 ] - [ 0.0001867300000000, -0.0001202800000000, 0.0009883700000000 ] - [ 0.0009905800000000, -0.0019825900000000, 0.0021786600000000 ] - [ 0.0000450000000000, -0.0006943600000000, 0.0000757500000000 ] - [ 0.0004420000000000, 0.0002743600000000, -0.0005904000000000 ] - [ 0.0005042800000000, -0.0001428800000000, -0.0000444500000000 ] - [ 0.0000005300000000, 0.0006357800000000, -0.0005720500000000 ] - [ -0.0002296400000000, 0.0006739100000000, -0.0004636300000000 ] - [ 0.0005503200000000, -0.0000497500000000, -0.0005086900000000 ] - [ -0.0003813800000000, -0.0003089200000000, 0.0000907200000000 ] - [ 0.0031648200000000, 0.0021337900000000, 0.0004095200000000 ] - [ -0.0004382300000000, 0.0007954100000000, 0.0007410200000000 ] - [ 0.0005030000000000, -0.0007573500000000, -0.0002435000000000 ] - [ -0.0004235200000000, -0.0002511900000000, 0.0001073300000000 ] - [ 0.0000637900000000, 0.0007357900000000, -0.0001922100000000 ] - [ -0.0001384100000000, 0.0008586200000000, -0.0001449300000000 ] - [ 0.0004311100000000, -0.0037148500000000, -0.0003492900000000 ] - [ 0.0004743300000000, -0.0005782800000000, -0.0003687700000000 ] - [ 0.0000497900000000, 0.0004859800000000, -0.0003174600000000 ] - [ -0.0001043300000000, 0.0004602700000000, -0.0003516400000000 ] - [ -0.0010651400000000, -0.0013394400000000, -0.0015961000000000 ] - [ -0.0005366600000000, -0.0001589600000000, -0.0004523400000000 ] - [ -0.0207671700000000, -0.0196125500000000, 0.0151957300000000 ] - [ 0.0009079300000000, -0.0005902800000000, 0.0014224200000000 ] - [ 0.0002795700000000, 0.0004555900000000, -0.0010512200000000 ] - [ 0.0000198000000000, 0.0004104900000000, -0.0009848000000000 ] - [ -0.0001679200000000, 0.0002011300000000, -0.0007034200000000 ] - [ -0.0008255900000000, 0.0000548900000000, -0.0002110900000000 ] - [ 0.0009124800000000, 0.0001305100000000, -0.0009461900000000 ] - [ 0.0004294600000000, 0.0001053700000000, -0.0004862100000000 ] - [ 0.0001846500000000, 0.0009017000000000, -0.0013241200000000 ] - [ -0.0007614000000000, 0.0003982000000000, -0.0002572200000000 ] - [ -0.0002483400000000, 0.0001838700000000, 0.0005718800000000 ] - [ 0.0000938200000000, -0.0012302300000000, 0.0009877500000000 ] - [ 0.0016617900000000, 0.0007170800000000, -0.0027169700000000 ] - [ -0.0001734700000000, 0.0000893000000000, 0.0001713600000000 ] - [ 0.0007928300000000, -0.0003155500000000, -0.0011228200000000 ] - [ -0.0001903100000000, -0.0002154400000000, -0.0005636300000000 ] - [ 0.0007066200000000, 0.0002664000000000, -0.0057422800000000 ] - [ 0.0008120700000000, -0.0001700700000000, -0.0001095000000000 ] - [ 0.0002804100000000, 0.0001464300000000, -0.0007396800000000 ] - [ 0.0002726400000000, 0.0001297400000000, -0.0005289100000000 ]- atom: 89 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ 0.0017911600000000, 0.0031304400000000, 0.0033953700000000 ] - [ -0.0011492500000000, -0.0012071900000000, 0.0005448400000000 ] - [ 0.0006525700000000, 0.0013909200000000, 0.0000620600000000 ] - [ -0.0002115200000000, 0.0005507300000000, -0.0011852700000000 ] - [ -0.0000147500000000, 0.0009254500000000, -0.0001157800000000 ] - [ -0.0004622700000000, 0.0005764100000000, 0.0004237600000000 ] - [ -0.0001070600000000, 0.0009477000000000, 0.0002835200000000 ] - [ 0.0000085500000000, 0.0007041300000000, -0.0012410300000000 ] - [ -0.0006633100000000, -0.0007409100000000, 0.0008961200000000 ] - [ 0.0000379200000000, -0.0002741000000000, 0.0003672200000000 ] - [ -0.0064888300000000, 0.0008545900000000, 0.0031517300000000 ] - [ 0.0003504700000000, -0.0032323300000000, 0.0005720900000000 ] - [ 0.0005488500000000, -0.0007367700000000, 0.0005146700000000 ] - [ -0.0000794800000000, -0.0007545200000000, -0.0012727100000000 ] - [ 0.0039306200000000, 0.0016430700000000, -0.0024061700000000 ] - [ -0.0012862900000000, 0.0007119100000000, -0.0008375200000000 ] - [ -0.0002867300000000, -0.0007127400000000, 0.0002686700000000 ] - [ -0.0002997300000000, -0.0005316000000000, 0.0005027600000000 ] - [ 0.0044974300000000, -0.0032792000000000, -0.0008947800000000 ] - [ -0.0016237800000000, -0.0007916900000000, 0.0004295400000000 ] - [ 0.0000205100000000, 0.0008468700000000, 0.0001817800000000 ] - [ -0.0000917200000000, 0.0008511300000000, -0.0002879000000000 ] - [ 0.0009648000000000, -0.0005715900000000, -0.0007723300000000 ] - [ -0.0002846600000000, -0.0008312200000000, -0.0009346900000000 ] - [ 0.0025961000000000, 0.0009029600000000, -0.0015590800000000 ] - [ -0.0007298300000000, 0.0005949200000000, 0.0001377800000000 ] - [ 0.0016361900000000, 0.0003375200000000, -0.0001844200000000 ] - [ -0.0005694100000000, 0.0010440500000000, -0.0000763200000000 ] - [ 0.0000023900000000, -0.0003817800000000, -0.0000479200000000 ] - [ -0.0001225700000000, -0.0003568100000000, -0.0003092100000000 ] - [ 0.0037273000000000, -0.0004925400000000, -0.0003295300000000 ] - [ -0.0007560700000000, 0.0003498300000000, 0.0000581100000000 ] - [ 0.0000060000000000, -0.0005699800000000, 0.0002684000000000 ] - [ -0.0003521800000000, -0.0004260600000000, -0.0001606600000000 ] - [ -0.0019115100000000, 0.0016644200000000, -0.0019776900000000 ] - [ -0.0001453900000000, -0.0001251700000000, 0.0003909000000000 ] - [ -0.0001639800000000, -0.0004163800000000, 0.0001132900000000 ] - [ 0.0003164100000000, -0.0002579200000000, -0.0001873300000000 ] - [ 0.0001951800000000, -0.0005075200000000, -0.0002578900000000 ] - [ 0.0001243700000000, -0.0005616600000000, -0.0002920300000000 ] - [ -0.0000672200000000, 0.0002365400000000, 0.0007829500000000 ] - [ -0.0001862700000000, 0.0003690300000000, 0.0007948400000000 ] - [ 0.0001948800000000, 0.0004410100000000, -0.0007598600000000 ] - [ -0.0000660200000000, -0.0000693200000000, -0.0008503000000000 ] - [ 0.0013817600000000, -0.0041504600000000, 0.0011501900000000 ] - [ -0.0001546000000000, 0.0004967300000000, -0.0001707900000000 ] - [ 0.1647815800000000, -0.2056227200000000, 0.0969435700000000 ] - [ -0.0004627000000000, 0.0017225500000000, -0.0019499200000000 ] - [ -0.0009904100000000, -0.0000691800000000, 0.0017181300000000 ] - [ 0.0018193600000000, 0.0007498700000000, -0.0046390300000000 ] - [ 0.0001075800000000, -0.0000247700000000, -0.0003865200000000 ] - [ 0.0001962100000000, -0.0001867800000000, -0.0003603500000000 ] - [ 0.0005583900000000, 0.0005480200000000, -0.0002706800000000 ] - [ 0.0002119300000000, 0.0009918900000000, -0.0000785000000000 ] - [ -0.0001281300000000, -0.0005388300000000, 0.0009170200000000 ] - [ 0.0003948600000000, -0.0001257700000000, 0.0007962200000000 ] - [ 0.0003615000000000, -0.0003325100000000, -0.0016562800000000 ] - [ -0.0005785300000000, 0.0000230400000000, -0.0001435200000000 ] - [ 0.0004082400000000, 0.0000529000000000, 0.0004207800000000 ] - [ 0.0008242900000000, -0.0000603800000000, -0.0000800800000000 ] - [ -0.0000226600000000, 0.0001181900000000, 0.0001404500000000 ] - [ -0.0000595300000000, -0.0002409600000000, -0.0002412300000000 ] - [ -0.0000875400000000, 0.0000401600000000, 0.0005224500000000 ] - [ -0.0003565700000000, -0.0005662700000000, 0.0002409600000000 ] - [ 0.0000941200000000, 0.0003115800000000, 0.0000278300000000 ] - [ 0.0000239500000000, 0.0001565800000000, -0.0000168400000000 ] - [ 0.0003057700000000, -0.0004142900000000, 0.0003556300000000 ] - [ -0.0007862800000000, 0.0011483800000000, 0.0000669400000000 ] - [ 0.0005804700000000, 0.0010577400000000, 0.0017956900000000 ] - [ -0.0000379000000000, -0.0003037300000000, 0.0007165800000000 ] - [ 0.0007546700000000, -0.0014514900000000, 0.0014459900000000 ] - [ -0.0006044000000000, 0.0018472100000000, -0.0013192100000000 ] - [ -0.0002665200000000, 0.0000403500000000, -0.0005087900000000 ] - [ 0.0002208400000000, 0.0000237100000000, 0.0001005900000000 ] - [ -0.0001723800000000, -0.0001041800000000, -0.0000451200000000 ] - [ -0.0002668400000000, -0.0009426400000000, -0.0002134700000000 ] - [ -0.0014008800000000, 0.0016881900000000, -0.0015509100000000 ] - [ 0.0005081300000000, -0.0008035200000000, -0.0003761900000000 ] - [ 0.0004528400000000, -0.0000231700000000, 0.0001409700000000 ] - [ 0.0006721700000000, 0.0003101000000000, 0.0004998500000000 ] - [ 0.0006704500000000, 0.0003091700000000, -0.0000641100000000 ] - [ -0.0008929900000000, 0.0034297700000000, 0.0029780800000000 ] - [ 0.0001806000000000, -0.0003814800000000, 0.0001579200000000 ] - [ -0.0003214100000000, -0.0006685600000000, 0.0000116900000000 ] - [ -0.0000198900000000, 0.0003676700000000, -0.0004747400000000 ] - [ 0.0000090000000000, 0.0004163700000000, -0.0001356100000000 ] - [ 0.0000012300000000, -0.0007477800000000, 0.0001422900000000 ] - [ 0.0001278600000000, -0.0005489800000000, 0.0005805700000000 ] - [ -0.1728674300000000, 0.2452519900000000, -0.1147510400000000 ] - [ 0.0009999400000000, -0.0002848000000000, 0.0010995700000000 ] - [ -0.0016136700000000, -0.0007092600000000, -0.0010302400000000 ] - [ 0.0004453800000000, 0.0005738700000000, -0.0003100600000000 ] - [ -0.0005673500000000, -0.0001467800000000, 0.0000818300000000 ] - [ -0.0006512300000000, -0.0001781200000000, 0.0005349200000000 ] - [ 0.0000090700000000, -0.0005739700000000, 0.0000620600000000 ] - [ 0.0001591800000000, -0.0006163900000000, 0.0002009800000000 ] - [ -0.0001301300000000, -0.0006940300000000, -0.0003182800000000 ] - [ 0.0000527000000000, -0.0005940000000000, 0.0000267100000000 ] - [ 0.0005512500000000, 0.0000550300000000, -0.0017181400000000 ] - [ 0.0018670900000000, 0.0009753300000000, 0.0023286500000000 ] - [ 0.0012160900000000, 0.0006662000000000, 0.0012671900000000 ] - [ 0.0009615300000000, 0.0009635600000000, -0.0021885100000000 ] - [ -0.0002110100000000, -0.0006146900000000, 0.0002881400000000 ] - [ 0.0000851500000000, -0.0007550600000000, 0.0001581500000000 ] - [ 0.0002503300000000, -0.0001056200000000, -0.0001954900000000 ] - [ 0.0007275000000000, 0.0000829300000000, 0.0001787400000000 ] - [ -0.0008626900000000, 0.0002376400000000, 0.0017112000000000 ] - [ 0.0001364100000000, -0.0001110900000000, 0.0002584900000000 ] - [ -0.0065721300000000, -0.0390525200000000, 0.0198133800000000 ] - [ 0.0022956000000000, 0.0000305800000000, -0.0001288900000000 ] - [ 0.0003627800000000, -0.0004364800000000, -0.0007554300000000 ] - [ 0.0001770500000000, -0.0006341700000000, -0.0003850300000000 ] - [ -0.0019533800000000, 0.0007826700000000, -0.0008160800000000 ] - [ 0.0010363400000000, -0.0000060200000000, -0.0000293900000000 ] - [ -0.0010504700000000, -0.0002652300000000, -0.0003808100000000 ] - [ -0.0002031600000000, -0.0000868500000000, -0.0000483900000000 ] - [ -0.0003357500000000, -0.0005982500000000, 0.0004619600000000 ] - [ -0.0001124200000000, -0.0003533900000000, 0.0010093800000000 ] - [ -0.0001524000000000, -0.0016217300000000, -0.0002357500000000 ] - [ 0.0003906700000000, 0.0005864300000000, -0.0006959100000000 ] - [ -0.0017189500000000, -0.0008902500000000, -0.0009211100000000 ] - [ -0.0000353900000000, 0.0000889100000000, -0.0000586800000000 ] - [ 0.0001582300000000, 0.0005396400000000, 0.0019351100000000 ] - [ 0.0008803000000000, 0.0002574400000000, -0.0003310300000000 ] - [ -0.0012803200000000, 0.0010561100000000, -0.0014033100000000 ] - [ -0.0000064600000000, -0.0005957100000000, 0.0006869500000000 ] - [ -0.0003608900000000, -0.0001425500000000, 0.0003250200000000 ] - [ -0.0003868000000000, -0.0000081600000000, 0.0001901200000000 ] - [ 0.0015876900000000, 0.0009469500000000, -0.0018318700000000 ] - [ 0.0014158100000000, -0.0014751500000000, 0.0039703000000000 ] - [ 0.0000150500000000, 0.0001112100000000, -0.0006163100000000 ] - [ 0.0004822500000000, -0.0000306300000000, -0.0005449400000000 ] - [ 0.0014784400000000, 0.0000265000000000, -0.0018987500000000 ] - [ -0.0010569300000000, -0.0006454200000000, 0.0024017000000000 ] - [ 0.0006861100000000, 0.0006054400000000, -0.0025058000000000 ] - [ 0.0021815300000000, -0.0003984400000000, 0.0007201600000000 ]- atom: 89 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ -0.0018888200000000, -0.0048057800000000, -0.0031645300000000 ] - [ 0.0010799700000000, -0.0004228400000000, -0.0002950800000000 ] - [ -0.0001039100000000, -0.0002393900000000, -0.0012254400000000 ] - [ 0.0007678700000000, 0.0006002600000000, 0.0000258300000000 ] - [ -0.0004723300000000, 0.0001995500000000, 0.0010120400000000 ] - [ -0.0000203200000000, 0.0005511500000000, 0.0004685300000000 ] - [ 0.0001864900000000, 0.0006904100000000, -0.0005357400000000 ] - [ 0.0000695600000000, 0.0009288800000000, 0.0009935200000000 ] - [ 0.0001806000000000, -0.0003931700000000, -0.0000070800000000 ] - [ -0.0005245200000000, -0.0008509100000000, 0.0005262500000000 ] - [ 0.0059340000000000, 0.0003410200000000, -0.0020196700000000 ] - [ -0.0011482600000000, 0.0042380600000000, 0.0005715100000000 ] - [ -0.0000674300000000, -0.0003898100000000, -0.0014130800000000 ] - [ 0.0005685600000000, -0.0003712900000000, 0.0003852100000000 ] - [ -0.0034457500000000, -0.0005118200000000, 0.0015211200000000 ] - [ 0.0017739600000000, 0.0004139400000000, -0.0000528800000000 ] - [ -0.0002667200000000, -0.0004405300000000, 0.0008958500000000 ] - [ -0.0002521600000000, -0.0006226600000000, 0.0006584500000000 ] - [ -0.0044323700000000, 0.0016764400000000, 0.0006778200000000 ] - [ 0.0017114000000000, -0.0008433200000000, -0.0006868700000000 ] - [ -0.0001010400000000, 0.0007870200000000, 0.0000725500000000 ] - [ 0.0000133300000000, 0.0007832500000000, 0.0005444800000000 ] - [ -0.0004155400000000, -0.0005829400000000, -0.0003863800000000 ] - [ 0.0008397800000000, -0.0003210000000000, -0.0002222600000000 ] - [ -0.0028984700000000, 0.0001594300000000, 0.0018554500000000 ] - [ 0.0004552600000000, 0.0004738200000000, 0.0001477200000000 ] - [ -0.0013156600000000, 0.0007855400000000, -0.0001074500000000 ] - [ 0.0008505200000000, 0.0000217200000000, -0.0002081000000000 ] - [ -0.0000835800000000, -0.0003518500000000, -0.0000441200000000 ] - [ 0.0000417000000000, -0.0003772700000000, 0.0002185500000000 ] - [ -0.0039021900000000, 0.0014305500000000, 0.0002507800000000 ] - [ 0.0006753200000000, 0.0003824100000000, -0.0001540100000000 ] - [ -0.0002844400000000, -0.0004994000000000, 0.0000179800000000 ] - [ 0.0000734600000000, -0.0006425500000000, 0.0004466700000000 ] - [ 0.0020082500000000, -0.0009478700000000, 0.0020947300000000 ] - [ 0.0002285600000000, 0.0008624100000000, -0.0003022900000000 ] - [ 0.0002455500000000, -0.0003185700000000, -0.0000176200000000 ] - [ -0.0002352300000000, -0.0004764400000000, 0.0002815400000000 ] - [ 0.0000829800000000, -0.0005607700000000, -0.0000253800000000 ] - [ 0.0001553900000000, -0.0005068700000000, 0.0000074200000000 ] - [ -0.0001416500000000, 0.0002982100000000, 0.0007943400000000 ] - [ -0.0000213400000000, 0.0001639100000000, 0.0007832500000000 ] - [ 0.0000126000000000, 0.0000916200000000, -0.0008185600000000 ] - [ 0.0002746900000000, 0.0006044600000000, -0.0007275300000000 ] - [ -0.0013869300000000, 0.0041653200000000, -0.0011551100000000 ] - [ 0.0001568700000000, -0.0005032000000000, 0.0001731300000000 ] - [ -0.1653099100000000, 0.1996539100000000, -0.0959703300000000 ] - [ 0.0006772200000000, -0.0022757400000000, 0.0003831300000000 ] - [ -0.0000173200000000, 0.0001757100000000, -0.0025223900000000 ] - [ -0.0028298400000000, -0.0006430200000000, 0.0038345900000000 ] - [ 0.0003069400000000, -0.0003802300000000, -0.0003420100000000 ] - [ 0.0002174800000000, -0.0002165200000000, -0.0003685900000000 ] - [ -0.0001540500000000, -0.0001592100000000, -0.0004638200000000 ] - [ 0.0002076100000000, -0.0005825300000000, -0.0006466200000000 ] - [ 0.0011365400000000, 0.0004337100000000, -0.0001084200000000 ] - [ 0.0006131500000000, 0.0000192500000000, 0.0000145900000000 ] - [ -0.0013773100000000, 0.0002291400000000, 0.0008554400000000 ] - [ -0.0004282500000000, -0.0001303700000000, -0.0006713100000000 ] - [ 0.0006008000000000, 0.0000534600000000, 0.0003902300000000 ] - [ 0.0001816600000000, 0.0001678500000000, 0.0008949600000000 ] - [ 0.0000245400000000, -0.0001156500000000, -0.0001383700000000 ] - [ 0.0000600500000000, 0.0002424300000000, 0.0002429300000000 ] - [ -0.0003251400000000, -0.0004417300000000, 0.0002068400000000 ] - [ -0.0000561700000000, 0.0001654100000000, 0.0004887200000000 ] - [ -0.0000945200000000, -0.0003134400000000, -0.0000279700000000 ] - [ -0.0000230900000000, -0.0001512500000000, 0.0000161600000000 ] - [ -0.0007209300000000, 0.0008095300000000, 0.0003837900000000 ] - [ 0.0003581400000000, -0.0007213600000000, 0.0006531300000000 ] - [ -0.0007905300000000, -0.0015945800000000, -0.0002216300000000 ] - [ -0.0001696100000000, -0.0002288100000000, 0.0008628800000000 ] - [ -0.0007629400000000, 0.0014684800000000, -0.0014592900000000 ] - [ 0.0006097000000000, -0.0018651700000000, 0.0013311100000000 ] - [ 0.0003996600000000, 0.0000868200000000, -0.0003407700000000 ] - [ -0.0000914300000000, 0.0001042800000000, -0.0009551600000000 ] - [ -0.0006049100000000, 0.0001693000000000, 0.0002675300000000 ] - [ -0.0005171900000000, 0.0009919800000000, 0.0004299300000000 ] - [ 0.0013866700000000, -0.0028279100000000, 0.0007894200000000 ] - [ -0.0005327700000000, -0.0003272200000000, -0.0003902600000000 ] - [ 0.0006919600000000, 0.0003743800000000, 0.0003417000000000 ] - [ 0.0004720700000000, 0.0000417100000000, -0.0000170400000000 ] - [ -0.0006547700000000, 0.0008268500000000, 0.0008366700000000 ] - [ 0.0009236700000000, -0.0023047900000000, -0.0022249400000000 ] - [ -0.0002847600000000, -0.0007214500000000, -0.0002504700000000 ] - [ 0.0002206100000000, -0.0004322200000000, -0.0001022800000000 ] - [ -0.0000012900000000, 0.0007651300000000, -0.0002905500000000 ] - [ -0.0000310400000000, 0.0007148200000000, -0.0006314600000000 ] - [ 0.0000936700000000, -0.0005824600000000, 0.0003588500000000 ] - [ -0.0000333100000000, -0.0007815700000000, -0.0000800800000000 ] - [ 0.1738829800000000, -0.2386610600000000, 0.1133067800000000 ] - [ -0.0014975200000000, 0.0013254800000000, 0.0001776600000000 ] - [ 0.0015214100000000, 0.0020393300000000, 0.0005313500000000 ] - [ -0.0005426100000000, 0.0007572000000000, -0.0001905800000000 ] - [ -0.0005573700000000, -0.0002103900000000, 0.0000883400000000 ] - [ -0.0004728800000000, -0.0001792700000000, -0.0003679100000000 ] - [ 0.0000934800000000, -0.0005272600000000, 0.0000279000000000 ] - [ -0.0000583900000000, -0.0004835000000000, -0.0001126400000000 ] - [ 0.0000356700000000, -0.0006367800000000, -0.0001831900000000 ] - [ -0.0001472500000000, -0.0007370300000000, -0.0005298200000000 ] - [ 0.0005937900000000, -0.0004070100000000, 0.0022242100000000 ] - [ -0.0007328900000000, -0.0013411500000000, -0.0018657300000000 ] - [ -0.0013044500000000, 0.0004298800000000, -0.0013419400000000 ] - [ -0.0010699500000000, 0.0001443800000000, 0.0021060700000000 ] - [ 0.0002303000000000, -0.0005219300000000, 0.0004733600000000 ] - [ -0.0000639600000000, -0.0003773000000000, 0.0006088700000000 ] - [ 0.0005304900000000, 0.0000485700000000, -0.0000226000000000 ] - [ 0.0000531400000000, -0.0001381300000000, -0.0003987300000000 ] - [ 0.0007376800000000, -0.0003675400000000, -0.0008703500000000 ] - [ -0.0002680100000000, -0.0000161000000000, 0.0005923700000000 ] - [ 0.0062383500000000, 0.0401345200000000, -0.0191835700000000 ] - [ -0.0022209600000000, 0.0013068400000000, 0.0006359400000000 ] - [ 0.0001237900000000, -0.0005982600000000, -0.0005268200000000 ] - [ 0.0003100700000000, -0.0003990800000000, -0.0008993300000000 ] - [ 0.0020628900000000, 0.0003070500000000, 0.0009124300000000 ] - [ -0.0009426400000000, 0.0011201600000000, 0.0001242700000000 ] - [ -0.0000891000000000, -0.0000877600000000, -0.0001052800000000 ] - [ -0.0009429900000000, -0.0002648900000000, -0.0004347800000000 ] - [ -0.0001505700000000, -0.0004350000000000, 0.0008210900000000 ] - [ -0.0003752900000000, -0.0006811800000000, 0.0002703800000000 ] - [ 0.0006421600000000, 0.0026640700000000, -0.0010490400000000 ] - [ 0.0000947400000000, 0.0004457500000000, -0.0005857700000000 ] - [ 0.0005923600000000, 0.0012567300000000, 0.0010970100000000 ] - [ -0.0010904700000000, 0.0002694300000000, 0.0002290100000000 ] - [ 0.0009723200000000, -0.0001834400000000, -0.0021228500000000 ] - [ 0.0002415500000000, 0.0001000900000000, 0.0001659400000000 ] - [ 0.0001404700000000, -0.0007148100000000, 0.0009253800000000 ] - [ -0.0011415500000000, 0.0009555300000000, -0.0011789000000000 ] - [ -0.0004204500000000, 0.0000866100000000, -0.0001086700000000 ] - [ -0.0003947500000000, -0.0000476400000000, 0.0000272700000000 ] - [ -0.0016938600000000, -0.0008109100000000, 0.0026664000000000 ] - [ -0.0015472300000000, 0.0016148800000000, -0.0031224200000000 ] - [ 0.0001163200000000, -0.0002399100000000, -0.0002349000000000 ] - [ -0.0003524900000000, -0.0000972600000000, -0.0003069300000000 ] - [ -0.0003523500000000, -0.0003830900000000, 0.0017193200000000 ] - [ 0.0021856800000000, 0.0002893900000000, -0.0025805600000000 ] - [ 0.0000849900000000, -0.0005446100000000, 0.0023144900000000 ] - [ -0.0014037300000000, 0.0004303100000000, -0.0009369200000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020533900000000, -0.0107220300000000, -0.0047073000000000 ] - [ 0.0003626300000000, -0.0010416300000000, -0.0002854900000000 ] - [ 0.0006597500000000, -0.0002909300000000, -0.0008551100000000 ] - [ 0.0000674500000000, 0.0000558200000000, -0.0002499200000000 ] - [ -0.0003048300000000, -0.0002387500000000, 0.0008404200000000 ] - [ -0.0001628900000000, 0.0004702900000000, 0.0006742700000000 ] - [ -0.0001627200000000, 0.0014685500000000, -0.0002171400000000 ] - [ 0.0003925200000000, 0.0012155300000000, 0.0001599100000000 ] - [ -0.0006955900000000, -0.0019073300000000, -0.0002597500000000 ] - [ 0.0003957200000000, -0.0016680900000000, 0.0002887100000000 ] - [ 0.0049658700000000, 0.0047676600000000, -0.0044109500000000 ] - [ 0.0017696300000000, 0.0052992900000000, 0.0003219700000000 ] - [ -0.0000961800000000, -0.0002029600000000, -0.0006711500000000 ] - [ 0.0006302900000000, -0.0000902700000000, 0.0002356100000000 ] - [ 0.0005516900000000, 0.0035421300000000, 0.0026374500000000 ] - [ 0.0005548600000000, 0.0011335900000000, -0.0005974300000000 ] - [ -0.0002524000000000, -0.0002615400000000, 0.0007838500000000 ] - [ -0.0002404300000000, -0.0006702300000000, 0.0010566600000000 ] - [ -0.0028217400000000, 0.0057094900000000, -0.0027869000000000 ] - [ 0.0005811700000000, -0.0006669700000000, -0.0000763600000000 ] - [ -0.0001020400000000, 0.0006827600000000, 0.0003145300000000 ] - [ 0.0000288100000000, 0.0007112600000000, 0.0004117500000000 ] - [ 0.0000432600000000, -0.0011333100000000, -0.0006873800000000 ] - [ 0.0004506200000000, -0.0006790500000000, -0.0006910600000000 ] - [ -0.0037171500000000, -0.0009336000000000, 0.0031841900000000 ] - [ 0.0002406000000000, 0.0005186500000000, 0.0003599300000000 ] - [ -0.0024221000000000, -0.0014535800000000, -0.0004192100000000 ] - [ 0.0006066500000000, 0.0003077600000000, -0.0003448300000000 ] - [ -0.0001299600000000, -0.0003144500000000, 0.0001182800000000 ] - [ 0.0000697000000000, -0.0003969100000000, 0.0002172100000000 ] - [ -0.0015165600000000, 0.0041253200000000, 0.0004149000000000 ] - [ -0.0002674200000000, 0.0002613500000000, -0.0003668000000000 ] - [ -0.0003518100000000, -0.0006237800000000, 0.0005390800000000 ] - [ 0.0000247100000000, -0.0006188600000000, 0.0003598600000000 ] - [ 0.0034765500000000, -0.0025987800000000, 0.0042734100000000 ] - [ -0.0000406900000000, 0.0005299900000000, 0.0001473400000000 ] - [ -0.0000754200000000, -0.0004471300000000, 0.0002197800000000 ] - [ 0.0002020600000000, -0.0005032900000000, 0.0005098900000000 ] - [ 0.0000228600000000, -0.0005786700000000, 0.0000832600000000 ] - [ 0.0002359900000000, -0.0004873400000000, 0.0000733800000000 ] - [ 0.0000066500000000, 0.0001191000000000, 0.0008486600000000 ] - [ -0.0000084000000000, 0.0000382400000000, 0.0008662300000000 ] - [ 0.0002173900000000, 0.0004353500000000, -0.0007339500000000 ] - [ 0.0002803600000000, 0.0006372200000000, -0.0006783200000000 ] - [ -0.0006025200000000, 0.0016398700000000, -0.0001313800000000 ] - [ 0.0002626200000000, -0.0006902300000000, 0.0004016300000000 ] - [ -0.1955353100000000, 0.4293689300000000, -0.1767989800000000 ] - [ 0.0000803800000000, -0.0005206000000000, -0.0007327200000000 ] - [ -0.0005083800000000, -0.0002118700000000, 0.0012093400000000 ] - [ -0.0014677900000000, -0.0001910700000000, 0.0008627000000000 ] - [ 0.0003194000000000, -0.0004019600000000, -0.0003218800000000 ] - [ 0.0003754100000000, -0.0005031800000000, -0.0002999700000000 ] - [ -0.0013060400000000, -0.0023354600000000, -0.0014491800000000 ] - [ -0.0007574600000000, -0.0022937400000000, -0.0015659400000000 ] - [ -0.0009331400000000, 0.0007191000000000, 0.0032526200000000 ] - [ 0.0006417200000000, -0.0000016100000000, 0.0000829900000000 ] - [ -0.0016727100000000, 0.0003515700000000, 0.0010427700000000 ] - [ -0.0006374200000000, -0.0000206900000000, -0.0002260600000000 ] - [ 0.0003616600000000, 0.0001742000000000, 0.0007780600000000 ] - [ 0.0001546600000000, 0.0001829100000000, 0.0009529500000000 ] - [ -0.0001056000000000, -0.0002720400000000, -0.0003241900000000 ] - [ 0.0000684900000000, 0.0002041800000000, 0.0002190700000000 ] - [ 0.0006358200000000, 0.0013119000000000, 0.0005505000000000 ] - [ -0.0000339300000000, 0.0001799500000000, 0.0004728900000000 ] - [ -0.0000010200000000, -0.0000475300000000, -0.0000318400000000 ] - [ -0.0000825700000000, -0.0007261800000000, 0.0000950900000000 ] - [ -0.0013990800000000, 0.0025651500000000, -0.0006456600000000 ] - [ -0.0020779900000000, 0.0053480500000000, -0.0013178900000000 ] - [ -0.0035756400000000, -0.0049218800000000, -0.0016718000000000 ] - [ -0.0001591900000000, -0.0003197000000000, 0.0007540700000000 ] - [ -0.0014371800000000, 0.0030815900000000, -0.0030481700000000 ] - [ -0.0000902900000000, 0.0001755000000000, -0.0001626400000000 ] - [ 0.0004114300000000, 0.0002507400000000, -0.0007788300000000 ] - [ -0.0000581900000000, 0.0002221600000000, -0.0010138000000000 ] - [ 0.0003936200000000, 0.0021103200000000, 0.0007466400000000 ] - [ -0.0001766400000000, 0.0023555100000000, 0.0010542800000000 ] - [ 0.0008074700000000, -0.0013260400000000, 0.0007477400000000 ] - [ -0.0001281500000000, -0.0001329500000000, -0.0003015300000000 ] - [ 0.0007115000000000, 0.0004684300000000, 0.0004103800000000 ] - [ 0.0005052700000000, 0.0001248700000000, -0.0000195500000000 ] - [ -0.0005422100000000, 0.0007844900000000, 0.0014501200000000 ] - [ -0.0001772500000000, -0.0009449300000000, 0.0007040800000000 ] - [ -0.0001501500000000, -0.0007605000000000, -0.0002095600000000 ] - [ -0.0005356700000000, -0.0013925400000000, -0.0002860300000000 ] - [ -0.0000593400000000, 0.0006321300000000, -0.0003982000000000 ] - [ 0.0000302800000000, 0.0011310500000000, -0.0005436600000000 ] - [ 0.0000738100000000, -0.0007437800000000, 0.0000675700000000 ] - [ -0.0001285500000000, -0.0008157200000000, -0.0000469400000000 ] - [ 0.2340809800000000, -0.4908876500000000, 0.2129283800000000 ] - [ -0.0010463100000000, 0.0001095200000000, 0.0006643000000000 ] - [ 0.0013728000000000, 0.0066238800000000, 0.0036864100000000 ] - [ -0.0001669900000000, 0.0008055000000000, -0.0002364000000000 ] - [ -0.0003909800000000, -0.0002161700000000, -0.0002623400000000 ] - [ -0.0004735200000000, -0.0001533900000000, -0.0004098400000000 ] - [ 0.0000142500000000, -0.0003670700000000, -0.0002304400000000 ] - [ -0.0000436700000000, -0.0004414600000000, -0.0000797700000000 ] - [ -0.0000609700000000, -0.0005956500000000, -0.0003267700000000 ] - [ -0.0002326800000000, -0.0005807500000000, -0.0004384900000000 ] - [ 0.0004726100000000, -0.0004752300000000, 0.0041778400000000 ] - [ 0.0004012800000000, -0.0002317700000000, 0.0005543900000000 ] - [ 0.0029447800000000, -0.0016294000000000, 0.0019447200000000 ] - [ -0.0008078400000000, -0.0011730000000000, 0.0018125700000000 ] - [ 0.0006561500000000, -0.0001666600000000, 0.0011633500000000 ] - [ 0.0000002500000000, -0.0005688500000000, 0.0003479000000000 ] - [ 0.0004803700000000, -0.0007484700000000, -0.0018720700000000 ] - [ 0.0002355100000000, -0.0002374200000000, -0.0003057900000000 ] - [ 0.0009968500000000, -0.0005021400000000, -0.0014358300000000 ] - [ -0.0001050500000000, -0.0001131900000000, 0.0001949400000000 ] - [ -0.0387652200000000, 0.0461168200000000, -0.0344002400000000 ] - [ -0.0000161400000000, 0.0006533100000000, 0.0001543800000000 ] - [ 0.0003264500000000, -0.0003142800000000, -0.0006879900000000 ] - [ 0.0001294600000000, -0.0002865400000000, -0.0008166700000000 ] - [ 0.0024515500000000, 0.0024056600000000, 0.0005812900000000 ] - [ -0.0008558900000000, 0.0029804400000000, 0.0007205000000000 ] - [ -0.0006614200000000, 0.0001033000000000, 0.0000834400000000 ] - [ -0.0006851900000000, -0.0003680800000000, -0.0004201000000000 ] - [ -0.0001651800000000, -0.0006644500000000, 0.0004888800000000 ] - [ -0.0004099700000000, -0.0007580600000000, 0.0003437700000000 ] - [ 0.0023882400000000, 0.0061962600000000, -0.0003394300000000 ] - [ 0.0001767000000000, 0.0006403600000000, -0.0007257100000000 ] - [ 0.0000143900000000, 0.0055837400000000, -0.0023127500000000 ] - [ -0.0006334500000000, 0.0003716800000000, 0.0004151500000000 ] - [ 0.0010671900000000, -0.0007995800000000, -0.0031635300000000 ] - [ 0.0005467500000000, 0.0001095500000000, -0.0002544400000000 ] - [ 0.0005836300000000, -0.0024185600000000, 0.0014901500000000 ] - [ -0.0006768200000000, -0.0000865500000000, -0.0001432700000000 ] - [ -0.0004037200000000, 0.0001498300000000, -0.0000613100000000 ] - [ -0.0005083800000000, 0.0001375500000000, -0.0001107000000000 ] - [ 0.0027645500000000, -0.0002194100000000, -0.0008716000000000 ] - [ -0.0016281400000000, 0.0000083100000000, -0.0009126800000000 ] - [ 0.0013320000000000, 0.0003478500000000, -0.0027843300000000 ] - [ -0.0001777900000000, 0.0000262400000000, -0.0002741500000000 ] - [ 0.0011259700000000, 0.0000914200000000, -0.0015814100000000 ] - [ 0.0004453900000000, 0.0000787600000000, -0.0009483900000000 ] - [ 0.0011598100000000, -0.0017241900000000, 0.0002833000000000 ] - [ -0.0001627500000000, -0.0041202300000000, -0.0000597800000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019968800000000, 0.0091354600000000, 0.0049981400000000 ] - [ -0.0004479400000000, -0.0005928800000000, 0.0005429800000000 ] - [ -0.0001035500000000, 0.0014487400000000, -0.0003012900000000 ] - [ 0.0004820400000000, 0.0011000800000000, -0.0009142500000000 ] - [ -0.0001788500000000, 0.0013721600000000, 0.0000465700000000 ] - [ -0.0003231300000000, 0.0006589200000000, 0.0002160400000000 ] - [ 0.0002442900000000, 0.0001647700000000, -0.0000363400000000 ] - [ -0.0003174200000000, 0.0004200200000000, -0.0004206400000000 ] - [ 0.0002137100000000, 0.0007853100000000, 0.0011588300000000 ] - [ -0.0008852000000000, 0.0005417000000000, 0.0006042500000000 ] - [ -0.0055168400000000, -0.0036449000000000, 0.0056107700000000 ] - [ -0.0024420300000000, -0.0041870900000000, 0.0008196900000000 ] - [ 0.0005849700000000, -0.0009265600000000, -0.0002179000000000 ] - [ -0.0001499000000000, -0.0010410900000000, -0.0011368900000000 ] - [ -0.0000683600000000, -0.0024222400000000, -0.0035889900000000 ] - [ -0.0000747700000000, -0.0000080800000000, -0.0002944200000000 ] - [ -0.0003002900000000, -0.0008946200000000, 0.0003715700000000 ] - [ -0.0003125900000000, -0.0004831000000000, 0.0000980400000000 ] - [ 0.0029334900000000, -0.0073434800000000, 0.0025879500000000 ] - [ -0.0005114500000000, -0.0009689200000000, -0.0001752200000000 ] - [ 0.0000239900000000, 0.0009528800000000, -0.0000646100000000 ] - [ -0.0001091800000000, 0.0009245000000000, -0.0001635500000000 ] - [ 0.0005121600000000, -0.0000197100000000, -0.0004763300000000 ] - [ 0.0000985500000000, -0.0004752600000000, -0.0004702200000000 ] - [ 0.0034572400000000, 0.0020043800000000, -0.0029005600000000 ] - [ -0.0005240000000000, 0.0005513100000000, -0.0000749400000000 ] - [ 0.0028678100000000, 0.0026934800000000, 0.0001518800000000 ] - [ -0.0003305700000000, 0.0007627500000000, 0.0000591400000000 ] - [ 0.0000497500000000, -0.0004196100000000, -0.0002125800000000 ] - [ -0.0001520100000000, -0.0003368100000000, -0.0003131500000000 ] - [ 0.0011260300000000, -0.0030406700000000, -0.0004776400000000 ] - [ 0.0001844400000000, 0.0004728100000000, 0.0002770400000000 ] - [ 0.0000751500000000, -0.0004447600000000, -0.0002568600000000 ] - [ -0.0003047900000000, -0.0004493200000000, -0.0000772000000000 ] - [ -0.0034101100000000, 0.0033512700000000, -0.0041987200000000 ] - [ 0.0001211400000000, 0.0002019400000000, -0.0000528900000000 ] - [ 0.0001582400000000, -0.0002870500000000, -0.0001265700000000 ] - [ -0.0001225500000000, -0.0002296200000000, -0.0004225000000000 ] - [ 0.0002572300000000, -0.0004895100000000, -0.0003709800000000 ] - [ 0.0000422800000000, -0.0005820300000000, -0.0003619300000000 ] - [ -0.0002145500000000, 0.0004138200000000, 0.0007301200000000 ] - [ -0.0001989400000000, 0.0004949800000000, 0.0007129400000000 ] - [ -0.0000124600000000, 0.0000931100000000, -0.0008467200000000 ] - [ -0.0000761000000000, -0.0001108900000000, -0.0009027000000000 ] - [ 0.0006128400000000, -0.0016715500000000, 0.0001361900000000 ] - [ -0.0002651600000000, 0.0006970800000000, -0.0004058200000000 ] - [ 0.2112192500000000, -0.4523281700000000, 0.1890320900000000 ] - [ 0.0001238900000000, -0.0000011700000000, -0.0008516000000000 ] - [ -0.0004994300000000, 0.0003172800000000, -0.0020349300000000 ] - [ 0.0004628100000000, 0.0002988800000000, -0.0016806000000000 ] - [ 0.0000907600000000, 0.0000052200000000, -0.0004091600000000 ] - [ 0.0000346500000000, 0.0001072800000000, -0.0004312200000000 ] - [ 0.0017267400000000, 0.0027490000000000, 0.0007237700000000 ] - [ 0.0011727700000000, 0.0026997200000000, 0.0008375500000000 ] - [ 0.0019479000000000, -0.0008348500000000, -0.0024530700000000 ] - [ 0.0003639800000000, -0.0001062100000000, 0.0007344300000000 ] - [ 0.0006737200000000, -0.0004609000000000, -0.0018725400000000 ] - [ -0.0003679600000000, -0.0000867600000000, -0.0005902200000000 ] - [ 0.0006464000000000, -0.0000676300000000, 0.0000329000000000 ] - [ 0.0008558600000000, -0.0000768500000000, -0.0001439700000000 ] - [ 0.0001039100000000, 0.0002706700000000, 0.0003237200000000 ] - [ -0.0000690500000000, -0.0002062200000000, -0.0002211700000000 ] - [ -0.0010507100000000, -0.0017164700000000, 0.0001791100000000 ] - [ -0.0003791400000000, -0.0005812900000000, 0.0002570700000000 ] - [ 0.0000016300000000, 0.0000486600000000, 0.0000322400000000 ] - [ 0.0000829900000000, 0.0007311000000000, -0.0000955800000000 ] - [ 0.0009842700000000, -0.0021584000000000, 0.0013719500000000 ] - [ 0.0016769900000000, -0.0049758300000000, 0.0020572000000000 ] - [ 0.0033822800000000, 0.0044111200000000, 0.0032620500000000 ] - [ -0.0000459100000000, -0.0002098500000000, 0.0008260500000000 ] - [ 0.0014492400000000, -0.0031056500000000, 0.0030705000000000 ] - [ 0.0000888200000000, -0.0001720300000000, 0.0001597600000000 ] - [ -0.0002838500000000, -0.0001234000000000, -0.0000713000000000 ] - [ 0.0001912900000000, -0.0000951800000000, 0.0001678300000000 ] - [ -0.0011780800000000, -0.0020643100000000, -0.0005349500000000 ] - [ -0.0006038000000000, -0.0023087600000000, -0.0008406900000000 ] - [ -0.0008365700000000, 0.0002082500000000, -0.0015224300000000 ] - [ 0.0001088500000000, -0.0010059200000000, -0.0004642100000000 ] - [ 0.0004327400000000, -0.0001154900000000, 0.0000767100000000 ] - [ 0.0006411000000000, 0.0002296700000000, 0.0005082100000000 ] - [ 0.0005665300000000, 0.0003479000000000, -0.0006954900000000 ] - [ 0.0002031500000000, 0.0021045300000000, 0.0000747000000000 ] - [ 0.0000478800000000, -0.0003403100000000, 0.0001203600000000 ] - [ 0.0004368200000000, 0.0002957800000000, 0.0001989100000000 ] - [ 0.0000382400000000, 0.0005009000000000, -0.0003668200000000 ] - [ -0.0000502600000000, 0.0000030800000000, -0.0002193900000000 ] - [ 0.0000211800000000, -0.0005846300000000, 0.0004382500000000 ] - [ 0.0002271300000000, -0.0005100500000000, 0.0005547600000000 ] - [ -0.2505616900000000, 0.5141291200000000, -0.2261738200000000 ] - [ 0.0005683100000000, 0.0009277400000000, 0.0006184800000000 ] - [ -0.0014879300000000, -0.0053033200000000, -0.0041958300000000 ] - [ 0.0000741700000000, 0.0005223000000000, -0.0002678500000000 ] - [ -0.0007346400000000, -0.0001404200000000, 0.0004353900000000 ] - [ -0.0006513300000000, -0.0002037900000000, 0.0005848600000000 ] - [ 0.0000883200000000, -0.0007355800000000, 0.0003237500000000 ] - [ 0.0001457800000000, -0.0006599900000000, 0.0001718800000000 ] - [ -0.0000352500000000, -0.0007333400000000, -0.0001751000000000 ] - [ 0.0001388500000000, -0.0007482600000000, -0.0000623600000000 ] - [ 0.0006681000000000, 0.0001241000000000, -0.0037156900000000 ] - [ 0.0007503300000000, -0.0001188800000000, -0.0000645100000000 ] - [ -0.0030550800000000, 0.0027461700000000, -0.0020450400000000 ] - [ 0.0007109300000000, 0.0022707600000000, -0.0019081300000000 ] - [ -0.0006389800000000, -0.0009704300000000, -0.0004012300000000 ] - [ 0.0000207900000000, -0.0005671800000000, 0.0004173100000000 ] - [ 0.0002985000000000, 0.0006963500000000, 0.0016639900000000 ] - [ 0.0005472300000000, 0.0001843600000000, 0.0000904200000000 ] - [ -0.0011378800000000, 0.0003782200000000, 0.0023050100000000 ] - [ -0.0000239000000000, -0.0000143700000000, 0.0006568500000000 ] - [ 0.0395838400000000, -0.0450893600000000, 0.0355363500000000 ] - [ 0.0001192600000000, 0.0006729500000000, 0.0003491800000000 ] - [ 0.0001609700000000, -0.0007244400000000, -0.0005926500000000 ] - [ 0.0003600000000000, -0.0007513400000000, -0.0004620600000000 ] - [ -0.0023605600000000, -0.0013019900000000, -0.0004944600000000 ] - [ 0.0009653500000000, -0.0018939700000000, -0.0006353300000000 ] - [ -0.0004872200000000, -0.0004555600000000, -0.0005650900000000 ] - [ -0.0004562100000000, 0.0000181000000000, -0.0000610100000000 ] - [ -0.0003231100000000, -0.0003712300000000, 0.0007934000000000 ] - [ -0.0000764500000000, -0.0002773000000000, 0.0009407300000000 ] - [ -0.0019034600000000, -0.0051751400000000, -0.0009396500000000 ] - [ 0.0003118800000000, 0.0003958000000000, -0.0005555400000000 ] - [ -0.0011515900000000, -0.0052353100000000, 0.0024906300000000 ] - [ -0.0004899600000000, -0.0000155400000000, -0.0002480800000000 ] - [ 0.0000551000000000, 0.0011588000000000, 0.0030169000000000 ] - [ 0.0005775000000000, 0.0002492600000000, 0.0000882300000000 ] - [ -0.0017392800000000, 0.0027918700000000, -0.0019843300000000 ] - [ -0.0004647000000000, 0.0004389000000000, -0.0003395000000000 ] - [ -0.0003769800000000, -0.0002074700000000, 0.0002819800000000 ] - [ -0.0002710300000000, -0.0001939000000000, 0.0003312200000000 ] - [ -0.0029095900000000, 0.0003434800000000, 0.0017278100000000 ] - [ 0.0014975900000000, 0.0001170000000000, 0.0017711300000000 ] - [ -0.0012067800000000, -0.0004789500000000, 0.0019421000000000 ] - [ 0.0003111500000000, -0.0001541900000000, -0.0005793200000000 ] - [ -0.0000061200000000, -0.0004495500000000, 0.0014217600000000 ] - [ 0.0006852500000000, -0.0004361700000000, 0.0007797500000000 ] - [ -0.0003704100000000, 0.0017809700000000, -0.0005176100000000 ] - [ 0.0009524000000000, 0.0041962500000000, -0.0001554700000000 ]- atom: 89 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0005904000000000, 0.0010780700000000, 0.0033197700000000 ] - [ 0.0000055200000000, -0.0007754900000000, 0.0009411500000000 ] - [ 0.0008071900000000, -0.0002081600000000, -0.0009093400000000 ] - [ -0.0002417100000000, 0.0005389300000000, -0.0004190200000000 ] - [ -0.0002057600000000, 0.0005479700000000, -0.0001716100000000 ] - [ -0.0001443400000000, 0.0005629600000000, 0.0000591900000000 ] - [ 0.0009202200000000, 0.0003370700000000, -0.0009158000000000 ] - [ -0.0009674700000000, 0.0007716900000000, -0.0009747500000000 ] - [ 0.0003421400000000, 0.0002322400000000, 0.0009808200000000 ] - [ -0.0010698600000000, -0.0003045700000000, 0.0009648500000000 ] - [ 0.0007419900000000, -0.0017913400000000, 0.0034656600000000 ] - [ -0.0021900300000000, 0.0005342100000000, 0.0051202900000000 ] - [ 0.0007445800000000, -0.0004639700000000, -0.0015541200000000 ] - [ -0.0002549200000000, -0.0004654100000000, -0.0010631500000000 ] - [ -0.0015769700000000, -0.0008168000000000, 0.0054420500000000 ] - [ 0.0004351700000000, 0.0001998300000000, -0.0001302800000000 ] - [ -0.0002911000000000, -0.0004537300000000, -0.0005584900000000 ] - [ -0.0002813900000000, -0.0002274500000000, -0.0007761800000000 ] - [ -0.0013578600000000, -0.0034787300000000, -0.0031328300000000 ] - [ 0.0005993700000000, -0.0008187100000000, -0.0002776500000000 ] - [ 0.0002602300000000, 0.0007724100000000, -0.0008156700000000 ] - [ -0.0003061300000000, 0.0007117800000000, -0.0007753900000000 ] - [ 0.0004345500000000, -0.0008924400000000, -0.0013822800000000 ] - [ 0.0002722600000000, -0.0006124700000000, -0.0008489600000000 ] - [ 0.0003162100000000, 0.0011358300000000, -0.0003923700000000 ] - [ -0.0002422100000000, 0.0006071000000000, 0.0001898700000000 ] - [ -0.0002477000000000, 0.0015546000000000, 0.0026011200000000 ] - [ 0.0003373700000000, 0.0004369200000000, 0.0005832700000000 ] - [ 0.0001423300000000, -0.0004696500000000, -0.0005537800000000 ] - [ -0.0001646900000000, -0.0003713500000000, -0.0004535200000000 ] - [ -0.0009524900000000, 0.0005357300000000, 0.0026280700000000 ] - [ 0.0001713800000000, 0.0004291600000000, 0.0005972300000000 ] - [ 0.0001269800000000, -0.0002304900000000, -0.0004314900000000 ] - [ -0.0003016100000000, -0.0004503000000000, -0.0001643600000000 ] - [ -0.0006619700000000, 0.0008916000000000, -0.0009246700000000 ] - [ 0.0003426200000000, 0.0006631500000000, 0.0001044800000000 ] - [ 0.0002516400000000, -0.0002566700000000, -0.0003263600000000 ] - [ -0.0002991000000000, -0.0000100600000000, -0.0005849200000000 ] - [ 0.0002494500000000, -0.0005371500000000, -0.0005687800000000 ] - [ -0.0000299400000000, -0.0006296500000000, -0.0006406400000000 ] - [ -0.0001651700000000, 0.0002853200000000, 0.0008889300000000 ] - [ -0.0002100500000000, 0.0005743600000000, 0.0007155500000000 ] - [ -0.0001008900000000, -0.0000495200000000, -0.0007850500000000 ] - [ -0.0001530400000000, -0.0003025800000000, -0.0009325700000000 ] - [ 0.0016072000000000, -0.0041788300000000, 0.0008914900000000 ] - [ 0.0000035900000000, -0.0001263500000000, -0.0001288900000000 ] - [ 0.0309324300000000, -0.0954807200000000, 0.0965464800000000 ] - [ 0.0002976000000000, -0.0005589800000000, -0.0007303800000000 ] - [ -0.0001920900000000, 0.0001623100000000, -0.0029140400000000 ] - [ -0.0011921100000000, -0.0002009800000000, 0.0011669900000000 ] - [ 0.0000394600000000, 0.0000689400000000, -0.0004092300000000 ] - [ -0.0000019400000000, 0.0001381200000000, -0.0003791400000000 ] - [ 0.0008019900000000, 0.0011925400000000, -0.0000405400000000 ] - [ 0.0004969300000000, 0.0008164600000000, -0.0001786200000000 ] - [ 0.0007323000000000, -0.0005711300000000, -0.0001206800000000 ] - [ 0.0003482900000000, -0.0001233300000000, 0.0007237700000000 ] - [ 0.0003521300000000, -0.0003993300000000, -0.0018849600000000 ] - [ -0.0001469600000000, -0.0002214400000000, -0.0011348900000000 ] - [ 0.0008954700000000, -0.0001209900000000, -0.0004218700000000 ] - [ 0.0007469700000000, -0.0000594800000000, -0.0000045500000000 ] - [ -0.0005620300000000, -0.0011242400000000, -0.0010926500000000 ] - [ -0.0002577800000000, -0.0005125000000000, -0.0005053200000000 ] - [ -0.0019806700000000, -0.0032672700000000, -0.0000769600000000 ] - [ -0.0003607700000000, -0.0005247400000000, 0.0003281700000000 ] - [ -0.0000307000000000, -0.0001582900000000, 0.0000756500000000 ] - [ -0.0002372500000000, -0.0014844200000000, 0.0002453200000000 ] - [ 0.0002568900000000, -0.0013594800000000, 0.0010898600000000 ] - [ 0.0000120800000000, -0.0001714000000000, 0.0002726700000000 ] - [ -0.0005169000000000, -0.0006857300000000, 0.0005157500000000 ] - [ -0.0001484600000000, -0.0002885400000000, 0.0007168600000000 ] - [ 0.0013643300000000, -0.0026993900000000, 0.0028829500000000 ] - [ 0.0001605500000000, -0.0007681900000000, 0.0005722400000000 ] - [ -0.0002840300000000, 0.0000784000000000, 0.0001889400000000 ] - [ 0.0000898500000000, 0.0000977900000000, -0.0000772900000000 ] - [ -0.0006079500000000, -0.0006585100000000, -0.0006864900000000 ] - [ -0.0006931700000000, -0.0002905000000000, -0.0007204900000000 ] - [ -0.0009026800000000, 0.0017495500000000, -0.0015710300000000 ] - [ -0.0002427700000000, -0.0004845700000000, -0.0005416900000000 ] - [ 0.0007464000000000, 0.0008489000000000, 0.0013283700000000 ] - [ 0.0007512200000000, 0.0003535400000000, 0.0008501800000000 ] - [ -0.0000822400000000, 0.0007423200000000, -0.0001157800000000 ] - [ 0.0016866100000000, 0.0042877800000000, 0.0016254800000000 ] - [ -0.0000968100000000, -0.0003950800000000, 0.0002974600000000 ] - [ 0.0009904100000000, 0.0011245100000000, 0.0007030600000000 ] - [ -0.0001046700000000, 0.0006882100000000, -0.0001099800000000 ] - [ 0.0003527300000000, 0.0015925100000000, -0.0001511000000000 ] - [ -0.0000436600000000, -0.0006093500000000, 0.0007636500000000 ] - [ 0.0003404800000000, -0.0005302600000000, 0.0007640200000000 ] - [ -0.0467862200000000, 0.1209485000000000, -0.1032138000000000 ] - [ -0.0002499200000000, 0.0008215600000000, 0.0001365600000000 ] - [ 0.0002072800000000, 0.0022847000000000, -0.0003751500000000 ] - [ -0.0000869700000000, 0.0007989500000000, -0.0004500200000000 ] - [ -0.0008462700000000, -0.0001791300000000, 0.0008081400000000 ] - [ -0.0004887400000000, -0.0001740600000000, 0.0005684500000000 ] - [ 0.0000369600000000, -0.0007509200000000, 0.0005346100000000 ] - [ 0.0001696800000000, -0.0006418300000000, 0.0004103200000000 ] - [ -0.0001994700000000, -0.0005156000000000, 0.0001173600000000 ] - [ 0.0002100200000000, -0.0006759200000000, 0.0001076100000000 ] - [ 0.0003272700000000, 0.0006247500000000, -0.0027719300000000 ] - [ 0.0005439500000000, -0.0003117500000000, -0.0007809100000000 ] - [ 0.0005175200000000, 0.0007446900000000, -0.0009122800000000 ] - [ -0.0012447300000000, 0.0010889200000000, -0.0000033500000000 ] - [ 0.0009916400000000, 0.0004536900000000, 0.0019660600000000 ] - [ -0.0002063900000000, -0.0004524300000000, 0.0007962100000000 ] - [ 0.0002990000000000, 0.0012943600000000, 0.0039192500000000 ] - [ 0.0005853400000000, 0.0000711000000000, 0.0002247800000000 ] - [ -0.0004977600000000, 0.0001392100000000, 0.0015649600000000 ] - [ -0.0001427800000000, 0.0000632000000000, 0.0011752000000000 ] - [ 0.0213012900000000, -0.0205154500000000, -0.0139934000000000 ] - [ -0.0001195700000000, 0.0007281800000000, -0.0001671600000000 ] - [ 0.0000963100000000, -0.0005938300000000, -0.0004239800000000 ] - [ 0.0005082200000000, -0.0006458100000000, -0.0002966400000000 ] - [ -0.0004367400000000, 0.0001231200000000, -0.0004427200000000 ] - [ 0.0002870300000000, -0.0001994600000000, -0.0004824200000000 ] - [ -0.0009720200000000, 0.0007545200000000, 0.0010274800000000 ] - [ -0.0003854600000000, 0.0001658600000000, 0.0001887100000000 ] - [ -0.0003788100000000, -0.0003503000000000, 0.0012909700000000 ] - [ 0.0000559600000000, -0.0002996800000000, 0.0012423300000000 ] - [ 0.0007665200000000, 0.0010008600000000, -0.0001540100000000 ] - [ 0.0001408200000000, 0.0005760200000000, -0.0006712300000000 ] - [ -0.0003325800000000, -0.0026352500000000, -0.0001918400000000 ] - [ -0.0007194300000000, 0.0000285200000000, -0.0003698300000000 ] - [ 0.0004780900000000, -0.0003002200000000, 0.0014255100000000 ] - [ 0.0001489800000000, 0.0001588400000000, 0.0004951600000000 ] - [ -0.0021437300000000, 0.0030488300000000, -0.0007294300000000 ] - [ -0.0004371300000000, 0.0007257900000000, -0.0005610000000000 ] - [ -0.0003401100000000, -0.0001509600000000, 0.0005871300000000 ] - [ -0.0002030900000000, -0.0001212000000000, 0.0006384200000000 ] - [ -0.0033906100000000, -0.0007760100000000, 0.0016734600000000 ] - [ 0.0009077100000000, 0.0001873000000000, -0.0009605800000000 ] - [ -0.0001999400000000, -0.0007218700000000, -0.0000721500000000 ] - [ 0.0002885400000000, -0.0001314000000000, -0.0005565600000000 ] - [ -0.0002511700000000, -0.0004307200000000, 0.0017853800000000 ] - [ 0.0023952400000000, -0.0004617500000000, -0.0007279700000000 ] - [ -0.0018596100000000, 0.0001652400000000, 0.0009728500000000 ] - [ 0.0006604500000000, 0.0003667500000000, -0.0000396400000000 ]- atom: 89 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0006814000000000, -0.0027797300000000, -0.0031227700000000 ] - [ -0.0000820400000000, -0.0008600500000000, -0.0006949400000000 ] - [ -0.0002574800000000, 0.0013566500000000, -0.0002472100000000 ] - [ 0.0007979900000000, 0.0006129000000000, -0.0007355400000000 ] - [ -0.0002808600000000, 0.0005748300000000, 0.0010737100000000 ] - [ -0.0003399500000000, 0.0005660300000000, 0.0008367500000000 ] - [ -0.0008504800000000, 0.0013048200000000, 0.0006669000000000 ] - [ 0.0010564400000000, 0.0008657700000000, 0.0007268400000000 ] - [ -0.0008291700000000, -0.0013693900000000, -0.0000961900000000 ] - [ 0.0005877800000000, -0.0008277700000000, -0.0000788300000000 ] - [ -0.0012664100000000, 0.0029797200000000, -0.0023647600000000 ] - [ 0.0016242500000000, 0.0006313300000000, -0.0039816300000000 ] - [ -0.0002630500000000, -0.0006617600000000, 0.0006597500000000 ] - [ 0.0007431000000000, -0.0006591200000000, 0.0001800900000000 ] - [ 0.0021501100000000, 0.0020253200000000, -0.0069202900000000 ] - [ 0.0000495300000000, 0.0009322800000000, -0.0007656500000000 ] - [ -0.0002613000000000, -0.0006993700000000, 0.0017236900000000 ] - [ -0.0002701200000000, -0.0009308900000000, 0.0019467900000000 ] - [ 0.0014330200000000, 0.0018849900000000, 0.0030404800000000 ] - [ -0.0005122700000000, -0.0008159000000000, 0.0000257800000000 ] - [ -0.0003409100000000, 0.0008614600000000, 0.0010733900000000 ] - [ 0.0002279100000000, 0.0009225900000000, 0.0010336400000000 ] - [ 0.0001160400000000, -0.0002589200000000, 0.0002237500000000 ] - [ 0.0002802900000000, -0.0005422700000000, -0.0003122900000000 ] - [ -0.0006316200000000, -0.0000797600000000, 0.0007084300000000 ] - [ -0.0000323200000000, 0.0004599300000000, 0.0000965100000000 ] - [ 0.0005382400000000, -0.0004837200000000, -0.0028896000000000 ] - [ -0.0000568700000000, 0.0006290000000000, -0.0008709300000000 ] - [ -0.0002250000000000, -0.0002625700000000, 0.0004648800000000 ] - [ 0.0000842300000000, -0.0003623900000000, 0.0003639600000000 ] - [ 0.0008578900000000, 0.0002105800000000, -0.0027239000000000 ] - [ -0.0002513700000000, 0.0003029900000000, -0.0006944800000000 ] - [ -0.0004080700000000, -0.0008419000000000, 0.0007197000000000 ] - [ 0.0000238200000000, -0.0006190600000000, 0.0004508100000000 ] - [ 0.0007756900000000, -0.0001824700000000, 0.0010512200000000 ] - [ -0.0002626000000000, 0.0000733300000000, -0.0000108300000000 ] - [ -0.0001720900000000, -0.0004785600000000, 0.0004211700000000 ] - [ 0.0003829000000000, -0.0007294400000000, 0.0006824700000000 ] - [ 0.0000282700000000, -0.0005309500000000, 0.0002866700000000 ] - [ 0.0003108800000000, -0.0004373400000000, 0.0003592800000000 ] - [ -0.0000433500000000, 0.0002498800000000, 0.0006879900000000 ] - [ 0.0000032600000000, -0.0000434600000000, 0.0008640000000000 ] - [ 0.0003078400000000, 0.0005814900000000, -0.0007949200000000 ] - [ 0.0003617700000000, 0.0008386600000000, -0.0006458300000000 ] - [ -0.0016219500000000, 0.0042196000000000, -0.0008991000000000 ] - [ -0.0000032500000000, 0.0001258600000000, 0.0001312500000000 ] - [ -0.0309343300000000, 0.0965131800000000, -0.1005083200000000 ] - [ -0.0000907800000000, 0.0000264200000000, -0.0008490900000000 ] - [ -0.0008197900000000, -0.0000570600000000, 0.0021213300000000 ] - [ 0.0001927000000000, 0.0003110300000000, -0.0019994900000000 ] - [ 0.0003751900000000, -0.0004742000000000, -0.0003195900000000 ] - [ 0.0004164900000000, -0.0005426100000000, -0.0003501000000000 ] - [ -0.0003988100000000, -0.0008044000000000, -0.0006941400000000 ] - [ -0.0000881300000000, -0.0004319600000000, -0.0005592700000000 ] - [ 0.0002906100000000, 0.0004697100000000, 0.0009065000000000 ] - [ 0.0006620000000000, 0.0000176300000000, 0.0000825000000000 ] - [ -0.0013729600000000, 0.0002965200000000, 0.0010903400000000 ] - [ -0.0008639300000000, 0.0001154900000000, 0.0003278000000000 ] - [ 0.0001109300000000, 0.0002287600000000, 0.0012378300000000 ] - [ 0.0002566000000000, 0.0001677200000000, 0.0008231800000000 ] - [ 0.0005620600000000, 0.0011241500000000, 0.0010919400000000 ] - [ 0.0002597100000000, 0.0005179200000000, 0.0005104500000000 ] - [ 0.0015853900000000, 0.0028954300000000, 0.0008116000000000 ] - [ -0.0000518200000000, 0.0001246900000000, 0.0004013200000000 ] - [ 0.0000304300000000, 0.0001565900000000, -0.0000768800000000 ] - [ 0.0002355700000000, 0.0014741400000000, -0.0002443500000000 ] - [ -0.0006795700000000, 0.0017590400000000, -0.0003506500000000 ] - [ -0.0004328300000000, 0.0005956800000000, 0.0004493300000000 ] - [ 0.0002984900000000, 0.0001379700000000, 0.0010483700000000 ] - [ -0.0000577300000000, -0.0002421100000000, 0.0008635200000000 ] - [ -0.0013846100000000, 0.0027391100000000, -0.0029195600000000 ] - [ -0.0001614600000000, 0.0007710400000000, -0.0005753600000000 ] - [ 0.0004185300000000, 0.0000498000000000, -0.0010436900000000 ] - [ 0.0000390000000000, 0.0000308800000000, -0.0007801600000000 ] - [ -0.0001728600000000, 0.0007228700000000, 0.0009108800000000 ] - [ -0.0000834100000000, 0.0003593300000000, 0.0009467300000000 ] - [ 0.0008915400000000, -0.0029042300000000, 0.0008206700000000 ] - [ 0.0002218600000000, -0.0006497500000000, -0.0002223800000000 ] - [ 0.0003990300000000, -0.0004937300000000, -0.0008439600000000 ] - [ 0.0003921900000000, -0.0000019000000000, -0.0003704500000000 ] - [ 0.0001019500000000, 0.0003913700000000, 0.0008893400000000 ] - [ -0.0016808800000000, -0.0031893100000000, -0.0008684700000000 ] - [ -0.0000058400000000, -0.0007087200000000, -0.0003907200000000 ] - [ -0.0011017500000000, -0.0022420400000000, -0.0007991700000000 ] - [ 0.0000832500000000, 0.0004461200000000, -0.0006570800000000 ] - [ -0.0003729500000000, -0.0004474600000000, -0.0006178600000000 ] - [ 0.0001406400000000, -0.0007176400000000, -0.0002621100000000 ] - [ -0.0002458100000000, -0.0007968000000000, -0.0002629300000000 ] - [ 0.0463882700000000, -0.1216869100000000, 0.1076488300000000 ] - [ -0.0002429200000000, 0.0002137400000000, 0.0011466500000000 ] - [ -0.0002937000000000, -0.0009384600000000, -0.0001225900000000 ] - [ -0.0000114100000000, 0.0005282200000000, -0.0000535700000000 ] - [ -0.0002758600000000, -0.0001789000000000, -0.0006442400000000 ] - [ -0.0006340600000000, -0.0001835700000000, -0.0004059100000000 ] - [ 0.0000652900000000, -0.0003488000000000, -0.0004466200000000 ] - [ -0.0000694500000000, -0.0004577900000000, -0.0003216900000000 ] - [ 0.0001048100000000, -0.0008140800000000, -0.0006225300000000 ] - [ -0.0003082900000000, -0.0006516800000000, -0.0006137200000000 ] - [ 0.0008189200000000, -0.0009922700000000, 0.0033012600000000 ] - [ 0.0005990000000000, -0.0000452900000000, 0.0012716200000000 ] - [ -0.0006143200000000, 0.0003480800000000, 0.0008228000000000 ] - [ 0.0011446700000000, 0.0000032300000000, -0.0000808700000000 ] - [ -0.0009581900000000, -0.0015800900000000, -0.0011853200000000 ] - [ 0.0002277600000000, -0.0006814800000000, -0.0000326000000000 ] - [ 0.0004860900000000, -0.0013629700000000, -0.0041793800000000 ] - [ 0.0001947500000000, -0.0001250600000000, -0.0004436400000000 ] - [ 0.0003777100000000, -0.0002713300000000, -0.0007345400000000 ] - [ 0.0000135700000000, -0.0001920900000000, -0.0003318300000000 ] - [ -0.0211606100000000, 0.0219455100000000, 0.0142071600000000 ] - [ 0.0002155600000000, 0.0005979000000000, 0.0006714800000000 ] - [ 0.0003934000000000, -0.0004451300000000, -0.0008562000000000 ] - [ -0.0000208700000000, -0.0003913500000000, -0.0009852300000000 ] - [ 0.0005602500000000, 0.0009932200000000, 0.0005396600000000 ] - [ -0.0001934800000000, 0.0013131000000000, 0.0005789100000000 ] - [ -0.0001734500000000, -0.0011039400000000, -0.0015113000000000 ] - [ -0.0007600100000000, -0.0005206600000000, -0.0006769300000000 ] - [ -0.0001077600000000, -0.0006879800000000, -0.0000131400000000 ] - [ -0.0005469000000000, -0.0007413800000000, 0.0000331500000000 ] - [ -0.0002734500000000, 0.0000665300000000, -0.0011324100000000 ] - [ 0.0003472200000000, 0.0004609300000000, -0.0006108800000000 ] - [ -0.0007966200000000, 0.0030149700000000, 0.0003880500000000 ] - [ -0.0004052300000000, 0.0003306200000000, 0.0005440500000000 ] - [ 0.0006519700000000, 0.0006466500000000, -0.0016244600000000 ] - [ 0.0009742800000000, 0.0001984300000000, -0.0006658900000000 ] - [ 0.0010174100000000, -0.0027324800000000, 0.0002553600000000 ] - [ -0.0007085200000000, -0.0003766200000000, 0.0000796700000000 ] - [ -0.0004415700000000, 0.0000974500000000, -0.0003728200000000 ] - [ -0.0005795300000000, 0.0000674100000000, -0.0004245100000000 ] - [ 0.0032954500000000, 0.0009155400000000, -0.0008306400000000 ] - [ -0.0010485100000000, -0.0000620900000000, 0.0018269200000000 ] - [ 0.0003256200000000, 0.0006032400000000, -0.0007639400000000 ] - [ -0.0001609400000000, 0.0000038100000000, -0.0002906100000000 ] - [ 0.0013806000000000, 0.0000748100000000, -0.0019657400000000 ] - [ -0.0012901500000000, 0.0001097900000000, 0.0005636900000000 ] - [ 0.0026241300000000, -0.0001209600000000, -0.0011717300000000 ] - [ 0.0001078800000000, -0.0003317200000000, -0.0001818100000000 ]- atom: 93 displacement: [ 0.0099999956155207, 0.0000000000000000, -0.0000093642707061 ] forces: - [ -0.0005864000000000, -0.0008168800000000, 0.0009320700000000 ] - [ 0.0004437700000000, -0.0008754200000000, 0.0001337300000000 ] - [ 0.0017471100000000, 0.0050797000000000, 0.0001921800000000 ] - [ -0.0006478300000000, 0.0006969700000000, -0.0012465900000000 ] - [ -0.0066662000000000, 0.0024735000000000, -0.0005081500000000 ] - [ 0.0011060700000000, -0.0007751800000000, -0.0012585500000000 ] - [ 0.0004863800000000, 0.0007879700000000, 0.0001767100000000 ] - [ -0.0003534500000000, 0.0008764100000000, 0.0003355500000000 ] - [ -0.0001778200000000, -0.0005667700000000, 0.0006816500000000 ] - [ -0.0003777800000000, -0.0005487800000000, 0.0010944300000000 ] - [ -0.0004001000000000, 0.0005184000000000, 0.0006392700000000 ] - [ -0.0001109400000000, 0.0003952600000000, 0.0013798700000000 ] - [ 0.0053495800000000, -0.0018749100000000, -0.0029117400000000 ] - [ -0.0017547800000000, -0.0003732400000000, -0.0008287900000000 ] - [ 0.0000944500000000, 0.0005461000000000, 0.0000537500000000 ] - [ 0.0003547000000000, 0.0005698500000000, -0.0004231000000000 ] - [ -0.0004565000000000, -0.0007270500000000, 0.0001728800000000 ] - [ -0.0002390900000000, -0.0003350800000000, 0.0010942000000000 ] - [ -0.0005581700000000, -0.0011842500000000, -0.0000177600000000 ] - [ 0.0006123500000000, -0.0002512800000000, -0.0015848300000000 ] - [ 0.0037958600000000, -0.0012166400000000, 0.0019081400000000 ] - [ -0.0017364400000000, 0.0005399100000000, 0.0004676800000000 ] - [ 0.0002100100000000, -0.0003571900000000, 0.0008153500000000 ] - [ 0.0003220800000000, -0.0006419000000000, -0.0008598400000000 ] - [ -0.0021637700000000, -0.0005457300000000, 0.0022642700000000 ] - [ -0.0003432200000000, 0.0004529400000000, -0.0005981400000000 ] - [ -0.0000492400000000, 0.0005772100000000, 0.0000001800000000 ] - [ 0.0004507200000000, 0.0006334300000000, -0.0000086100000000 ] - [ 0.0038231000000000, -0.0012254100000000, -0.0009842600000000 ] - [ -0.0006854200000000, -0.0004046100000000, -0.0001987400000000 ] - [ -0.0001767300000000, 0.0004753200000000, 0.0002995300000000 ] - [ -0.0000240900000000, 0.0003884100000000, -0.0000990100000000 ] - [ 0.0001084800000000, -0.0006121100000000, 0.0004664600000000 ] - [ -0.0003480200000000, -0.0005020300000000, 0.0001554300000000 ] - [ -0.0005574000000000, 0.0003798800000000, 0.0000399300000000 ] - [ 0.0028261400000000, -0.0009545200000000, 0.0009215200000000 ] - [ 0.0002739200000000, -0.0003480300000000, 0.0000239500000000 ] - [ -0.0002204800000000, -0.0004676000000000, 0.0004371100000000 ] - [ 0.0027654700000000, -0.0002551000000000, 0.0004628200000000 ] - [ -0.0006412100000000, -0.0003137700000000, 0.0003137000000000 ] - [ 0.0000277800000000, -0.0003688900000000, 0.0009145700000000 ] - [ -0.0000798200000000, 0.0003203500000000, 0.0006916700000000 ] - [ 0.0000888800000000, 0.0006441200000000, -0.0005387100000000 ] - [ 0.0000900800000000, -0.0000027000000000, -0.0009713800000000 ] - [ 0.0000256700000000, -0.0000843100000000, -0.0000882500000000 ] - [ 0.0000229800000000, -0.0001090800000000, -0.0000136900000000 ] - [ 0.0003276800000000, -0.0005765100000000, -0.0007162100000000 ] - [ 0.0000783100000000, -0.0003380300000000, -0.0006942100000000 ] - [ -0.0006198900000000, 0.0000130800000000, -0.0001943100000000 ] - [ -0.0007767800000000, -0.0000516900000000, 0.0001007800000000 ] - [ -0.0002757900000000, 0.0017257600000000, -0.0007735900000000 ] - [ 0.0024700600000000, -0.0041226600000000, 0.0010822300000000 ] - [ 0.0001410000000000, 0.0000238400000000, -0.0004032600000000 ] - [ 0.0012560500000000, 0.0020917500000000, 0.0000714800000000 ] - [ 0.0001204000000000, -0.0002016200000000, 0.0011101700000000 ] - [ 0.0004789400000000, -0.0000675500000000, 0.0004850800000000 ] - [ -0.0009840600000000, 0.0002386400000000, 0.0005399000000000 ] - [ 0.0002172900000000, -0.0004373600000000, -0.0012157800000000 ] - [ 0.1600575800000000, -0.0461299700000000, -0.2172356200000000 ] - [ 0.0000207000000000, 0.0002774300000000, 0.0026680700000000 ] - [ 0.0001090700000000, 0.0000153300000000, 0.0005395400000000 ] - [ -0.0006681600000000, -0.0013926100000000, -0.0021452600000000 ] - [ 0.0002376700000000, 0.0005011000000000, 0.0005105800000000 ] - [ -0.0003297000000000, -0.0004679200000000, 0.0003506300000000 ] - [ -0.0007064200000000, -0.0008486000000000, 0.0003756800000000 ] - [ 0.0000830100000000, -0.0000500600000000, 0.0000742300000000 ] - [ 0.0000038800000000, -0.0001614300000000, 0.0002786500000000 ] - [ -0.0003759200000000, 0.0006651000000000, 0.0001883600000000 ] - [ 0.0003530600000000, 0.0002756500000000, 0.0010301600000000 ] - [ -0.0007208600000000, -0.0005676600000000, 0.0008935600000000 ] - [ 0.0001681300000000, -0.0003835800000000, 0.0003497500000000 ] - [ 0.0001105000000000, -0.0002716200000000, 0.0002569600000000 ] - [ -0.0079939100000000, -0.0076627500000000, -0.0423328800000000 ] - [ 0.0023882400000000, -0.0005964600000000, -0.0006762100000000 ] - [ -0.0001618200000000, 0.0000884000000000, 0.0000824200000000 ] - [ -0.0012256100000000, -0.0010626300000000, -0.0006532600000000 ] - [ 0.0001041500000000, -0.0005162400000000, -0.0007697000000000 ] - [ -0.0001060500000000, -0.0005173500000000, -0.0004311200000000 ] - [ 0.0002462200000000, -0.0004304800000000, 0.0005983600000000 ] - [ 0.0017910200000000, 0.0026073300000000, 0.0002785700000000 ] - [ -0.0000784600000000, 0.0006244300000000, 0.0002996600000000 ] - [ 0.0000814400000000, 0.0006177900000000, 0.0001499500000000 ] - [ -0.0000036500000000, -0.0003508900000000, 0.0002955700000000 ] - [ 0.0001254800000000, -0.0010242300000000, -0.0007793700000000 ] - [ -0.0016441500000000, 0.0032128700000000, 0.0012389200000000 ] - [ 0.0007911600000000, 0.0003588600000000, -0.0002360200000000 ] - [ -0.0003495200000000, -0.0013274400000000, 0.0000561800000000 ] - [ 0.0004355100000000, -0.0004160300000000, 0.0001226700000000 ] - [ -0.0002468000000000, 0.0006856400000000, 0.0003375800000000 ] - [ -0.0003310500000000, 0.0006040900000000, 0.0006865200000000 ] - [ 0.0001011800000000, 0.0003586300000000, -0.0005697600000000 ] - [ 0.0000117900000000, 0.0004826400000000, -0.0000872000000000 ] - [ -0.1676883900000000, 0.0539861000000000, 0.2562647200000000 ] - [ 0.0007045100000000, -0.0001972900000000, -0.0008389900000000 ] - [ -0.0014612700000000, 0.0013925500000000, -0.0008723500000000 ] - [ 0.0009267000000000, -0.0019690200000000, 0.0005436700000000 ] - [ -0.0010625700000000, -0.0006124900000000, -0.0007795400000000 ] - [ 0.0002820500000000, -0.0006857100000000, -0.0003938200000000 ] - [ 0.0006074800000000, 0.0000585400000000, -0.0001337000000000 ] - [ 0.0004130500000000, -0.0000483400000000, -0.0000672800000000 ] - [ 0.0003665900000000, 0.0002785100000000, 0.0001203500000000 ] - [ -0.0010224700000000, 0.0004720500000000, -0.0005697000000000 ] - [ 0.0004652200000000, -0.0005611300000000, 0.0004337900000000 ] - [ -0.0001291100000000, 0.0005359200000000, 0.0007458700000000 ] - [ 0.0000546500000000, -0.0003575800000000, -0.0006016700000000 ] - [ 0.0005690300000000, 0.0001346500000000, -0.0000360200000000 ] - [ 0.0013095500000000, 0.0013501100000000, -0.0000194600000000 ] - [ 0.0010609800000000, -0.0013813200000000, 0.0021335100000000 ] - [ 0.0002829600000000, 0.0008976700000000, -0.0000833600000000 ] - [ -0.0002988000000000, 0.0007989600000000, 0.0004019300000000 ] - [ -0.0001658700000000, -0.0000087000000000, -0.0008881100000000 ] - [ 0.0005612200000000, -0.0005300400000000, -0.0009640900000000 ] - [ -0.0001720100000000, -0.0000937600000000, -0.0020289600000000 ] - [ 0.0001305200000000, 0.0006250800000000, 0.0002016300000000 ] - [ -0.0008908700000000, -0.0009689200000000, 0.0001627100000000 ] - [ 0.0000369500000000, 0.0005335500000000, 0.0013389400000000 ] - [ -0.0013960200000000, -0.0010989100000000, 0.0004599000000000 ] - [ 0.0002846400000000, -0.0004428400000000, 0.0006716600000000 ] - [ 0.0011521000000000, -0.0000485700000000, -0.0011710900000000 ] - [ -0.0013757800000000, 0.0006309900000000, 0.0007135500000000 ] - [ -0.0002557500000000, 0.0001978300000000, -0.0005567200000000 ] - [ -0.0006639900000000, 0.0001625700000000, 0.0000136800000000 ] - [ 0.0023920400000000, 0.0006100700000000, -0.0007773900000000 ] - [ 0.0009698500000000, -0.0014144100000000, 0.0019610900000000 ] - [ -0.0007043600000000, 0.0002825900000000, -0.0006609000000000 ] - [ -0.0005623200000000, 0.0003776800000000, -0.0005151300000000 ] - [ 0.0010388500000000, -0.0015269000000000, 0.0017382100000000 ] - [ 0.0011108200000000, 0.0025926100000000, -0.0027111700000000 ] - [ 0.0000194800000000, 0.0000932200000000, 0.0002662300000000 ] - [ 0.0000105500000000, 0.0001174900000000, -0.0000550700000000 ] - [ 0.0002284300000000, 0.0000606400000000, -0.0011191300000000 ] - [ 0.0000592700000000, -0.0000577600000000, -0.0004423600000000 ] - [ 0.0005025800000000, -0.0001687500000000, -0.0003131600000000 ] - [ 0.0008001800000000, -0.0001567500000000, -0.0005252600000000 ] - [ 0.0002989500000000, 0.0012351900000000, -0.0003947300000000 ] - [ 0.0008287300000000, -0.0002076700000000, 0.0002808600000000 ]- atom: 93 displacement: [ -0.0099999956155207, 0.0000000000000000, 0.0000093642707061 ] forces: - [ 0.0005121500000000, -0.0008148900000000, -0.0006865200000000 ] - [ -0.0005260300000000, -0.0007578100000000, 0.0001210300000000 ] - [ -0.0012129100000000, -0.0039600100000000, -0.0013650000000000 ] - [ 0.0012119500000000, 0.0004552400000000, 0.0000913400000000 ] - [ 0.0061822800000000, -0.0013443200000000, 0.0014439800000000 ] - [ -0.0018502800000000, 0.0017873000000000, 0.0020170800000000 ] - [ -0.0004073600000000, 0.0008443400000000, -0.0004315400000000 ] - [ 0.0004324800000000, 0.0007562300000000, -0.0005929700000000 ] - [ -0.0003058100000000, -0.0005589800000000, 0.0002077400000000 ] - [ -0.0001060100000000, -0.0005771500000000, -0.0002078800000000 ] - [ -0.0001511300000000, 0.0006349700000000, 0.0005203100000000 ] - [ -0.0004447200000000, 0.0007586800000000, -0.0002263300000000 ] - [ -0.0048856600000000, 0.0007862400000000, 0.0020336000000000 ] - [ 0.0022502500000000, -0.0007543200000000, -0.0000607500000000 ] - [ 0.0003914500000000, 0.0005795900000000, -0.0009499500000000 ] - [ 0.0001283800000000, 0.0005555200000000, -0.0004708700000000 ] - [ -0.0000935400000000, -0.0004269800000000, 0.0009940200000000 ] - [ -0.0003176000000000, -0.0008176300000000, 0.0000634500000000 ] - [ 0.0006448900000000, -0.0004478500000000, -0.0002360600000000 ] - [ -0.0005396700000000, -0.0013840800000000, 0.0013394300000000 ] - [ -0.0038875100000000, 0.0028556900000000, -0.0016421200000000 ] - [ 0.0016633200000000, 0.0010947600000000, -0.0002162200000000 ] - [ 0.0003430100000000, -0.0007977000000000, -0.0019805100000000 ] - [ 0.0002290800000000, -0.0005122400000000, -0.0003056200000000 ] - [ 0.0019007000000000, 0.0016275900000000, -0.0020073900000000 ] - [ 0.0000660300000000, 0.0006143700000000, 0.0008897600000000 ] - [ 0.0003307900000000, 0.0004909300000000, -0.0002871000000000 ] - [ -0.0001741000000000, 0.0004348100000000, -0.0002776900000000 ] - [ -0.0040098700000000, 0.0006086000000000, 0.0010803600000000 ] - [ 0.0006028500000000, -0.0003311500000000, 0.0001054100000000 ] - [ 0.0000957500000000, 0.0002577100000000, -0.0003957100000000 ] - [ -0.0000573000000000, 0.0003458300000000, 0.0000054900000000 ] - [ -0.0003880600000000, -0.0004559800000000, -0.0001824800000000 ] - [ 0.0000684800000000, -0.0005659900000000, 0.0001274100000000 ] - [ 0.0006428600000000, 0.0003543100000000, 0.0000515900000000 ] - [ -0.0027710400000000, 0.0016949000000000, -0.0008392900000000 ] - [ -0.0001912500000000, -0.0003857300000000, 0.0000698500000000 ] - [ 0.0003021400000000, -0.0002655700000000, -0.0003472000000000 ] - [ -0.0024239500000000, -0.0007693900000000, -0.0006609900000000 ] - [ 0.0009228100000000, -0.0007560100000000, -0.0006024600000000 ] - [ -0.0002410200000000, 0.0009098000000000, 0.0006604000000000 ] - [ -0.0001297300000000, 0.0002165900000000, 0.0008858900000000 ] - [ 0.0001202100000000, -0.0001081800000000, -0.0010396400000000 ] - [ 0.0001189000000000, 0.0005392100000000, -0.0006056100000000 ] - [ -0.0000253500000000, 0.0000845800000000, 0.0000886800000000 ] - [ -0.0000230600000000, 0.0001091300000000, 0.0000137900000000 ] - [ -0.0001193700000000, 0.0000411700000000, -0.0008608300000000 ] - [ 0.0001314400000000, -0.0001980000000000, -0.0008838400000000 ] - [ -0.0003862000000000, 0.0000938000000000, -0.0006220000000000 ] - [ -0.0002291700000000, 0.0001590000000000, -0.0009158500000000 ] - [ 0.0006885600000000, -0.0021202000000000, 0.0000439900000000 ] - [ -0.0020578400000000, 0.0037261800000000, -0.0018125700000000 ] - [ 0.0002741100000000, 0.0003826800000000, -0.0003239900000000 ] - [ -0.0008486000000000, -0.0017008800000000, -0.0008020200000000 ] - [ 0.0008904600000000, 0.0000961400000000, -0.0003039200000000 ] - [ 0.0005298200000000, -0.0000388600000000, 0.0003252000000000 ] - [ -0.0000410000000000, -0.0003379600000000, -0.0013191200000000 ] - [ -0.0012282600000000, 0.0003354200000000, 0.0003909700000000 ] - [ -0.1600303500000000, 0.0450626300000000, 0.2127109700000000 ] - [ 0.0009927300000000, -0.0001729600000000, -0.0018791200000000 ] - [ -0.0001098300000000, -0.0000140100000000, -0.0005394000000000 ] - [ 0.0006741700000000, 0.0014050500000000, 0.0021655900000000 ] - [ -0.0006510900000000, -0.0009046300000000, 0.0002183100000000 ] - [ -0.0000854600000000, 0.0000612900000000, 0.0003768300000000 ] - [ 0.0007130700000000, 0.0008543200000000, -0.0003764200000000 ] - [ -0.0000848500000000, 0.0000490400000000, -0.0000751700000000 ] - [ -0.0004226600000000, 0.0005727500000000, 0.0004488500000000 ] - [ -0.0000370200000000, -0.0002639500000000, 0.0005410700000000 ] - [ -0.0005685800000000, -0.0008191000000000, 0.0005439900000000 ] - [ 0.0005197800000000, 0.0000415200000000, 0.0006876200000000 ] - [ -0.0001690200000000, 0.0003851900000000, -0.0003512600000000 ] - [ -0.0001116100000000, 0.0002742200000000, -0.0002594900000000 ] - [ 0.0077088700000000, 0.0077500800000000, 0.0412129800000000 ] - [ -0.0022779600000000, 0.0007313900000000, -0.0001744700000000 ] - [ -0.0006232200000000, -0.0000335900000000, 0.0001370700000000 ] - [ 0.0004495300000000, 0.0011244400000000, 0.0008777100000000 ] - [ -0.0001256300000000, -0.0006152100000000, 0.0000061300000000 ] - [ 0.0000850000000000, -0.0006157200000000, -0.0003339300000000 ] - [ 0.0008957400000000, 0.0007896300000000, -0.0001234000000000 ] - [ -0.0006541300000000, -0.0022791600000000, 0.0002095000000000 ] - [ 0.0000991000000000, 0.0005090800000000, 0.0004664700000000 ] - [ -0.0000604800000000, 0.0005160900000000, 0.0006172100000000 ] - [ -0.0000992300000000, -0.0007503700000000, -0.0003851200000000 ] - [ -0.0002278000000000, -0.0000778200000000, 0.0006901500000000 ] - [ 0.0016391100000000, -0.0020942400000000, -0.0020093700000000 ] - [ -0.0008197100000000, 0.0007821600000000, -0.0005303000000000 ] - [ 0.0004447100000000, -0.0000016900000000, 0.0004437900000000 ] - [ -0.0003398900000000, -0.0009131800000000, 0.0003803500000000 ] - [ -0.0002411000000000, 0.0003486200000000, 0.0009465000000000 ] - [ -0.0001565700000000, 0.0004314400000000, 0.0005943100000000 ] - [ -0.0001959900000000, 0.0009725800000000, 0.0000710700000000 ] - [ -0.0001096100000000, 0.0008410800000000, -0.0004175100000000 ] - [ 0.1683164200000000, -0.0532192300000000, -0.2506398600000000 ] - [ -0.0018403800000000, -0.0001615200000000, 0.0010171300000000 ] - [ 0.0015674900000000, -0.0024990100000000, 0.0009651900000000 ] - [ -0.0008207500000000, 0.0008544800000000, -0.0004499700000000 ] - [ 0.0009652000000000, -0.0007158500000000, 0.0002835300000000 ] - [ -0.0003770900000000, -0.0006425800000000, -0.0001054300000000 ] - [ 0.0005369800000000, -0.0004129400000000, 0.0006210000000000 ] - [ 0.0007339400000000, -0.0003064000000000, 0.0005557200000000 ] - [ -0.0004749300000000, 0.0008279200000000, -0.0002131800000000 ] - [ 0.0009275400000000, 0.0006267600000000, 0.0004833600000000 ] - [ -0.0004466500000000, -0.0005688700000000, 0.0003304500000000 ] - [ 0.0001547100000000, -0.0016759800000000, 0.0000185500000000 ] - [ 0.0007280000000000, 0.0003005100000000, 0.0003837800000000 ] - [ 0.0002142900000000, -0.0001877200000000, -0.0001817000000000 ] - [ -0.0014220100000000, -0.0014635500000000, 0.0008549800000000 ] - [ -0.0011991900000000, 0.0012643900000000, -0.0012802200000000 ] - [ -0.0001908400000000, 0.0004302400000000, 0.0005866000000000 ] - [ 0.0003970600000000, 0.0005291500000000, 0.0000983500000000 ] - [ 0.0006562600000000, -0.0010324300000000, -0.0003917200000000 ] - [ -0.0000727900000000, -0.0005065000000000, -0.0003147600000000 ] - [ 0.0002801700000000, 0.0012022100000000, 0.0021334200000000 ] - [ -0.0000285300000000, 0.0004767500000000, -0.0001123200000000 ] - [ -0.0002571100000000, 0.0006132100000000, -0.0006497400000000 ] - [ -0.0011848600000000, -0.0008916900000000, -0.0018356900000000 ] - [ 0.0009085200000000, 0.0000640500000000, 0.0008172400000000 ] - [ -0.0007753100000000, -0.0005930600000000, 0.0006092200000000 ] - [ -0.0006761700000000, 0.0010933500000000, -0.0001026900000000 ] - [ 0.0018722700000000, 0.0003987600000000, -0.0020101100000000 ] - [ -0.0008702600000000, 0.0001594600000000, 0.0007302300000000 ] - [ -0.0004602000000000, 0.0001949900000000, 0.0001565100000000 ] - [ -0.0012715900000000, -0.0002657800000000, 0.0005828500000000 ] - [ 0.0001423100000000, 0.0017976700000000, -0.0021405900000000 ] - [ -0.0004398400000000, 0.0000691600000000, 0.0001790800000000 ] - [ -0.0005813400000000, -0.0000267500000000, 0.0000339800000000 ] - [ -0.0018006700000000, 0.0014600500000000, -0.0015071000000000 ] - [ -0.0018944700000000, -0.0026505200000000, 0.0029462200000000 ] - [ -0.0001516000000000, 0.0000327600000000, 0.0005864800000000 ] - [ -0.0001434700000000, 0.0000085300000000, 0.0009147300000000 ] - [ -0.0000981200000000, -0.0001883000000000, 0.0002705800000000 ] - [ 0.0000726300000000, -0.0000692100000000, -0.0004093100000000 ] - [ 0.0006196000000000, -0.0001901600000000, 0.0001483600000000 ] - [ 0.0003241300000000, -0.0002007000000000, 0.0003571300000000 ] - [ 0.0004872400000000, -0.0011902400000000, 0.0001821700000000 ] - [ -0.0000483300000000, 0.0002641600000000, -0.0005026300000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001352500000000, -0.0007748900000000, -0.0000526300000000 ] - [ -0.0001747500000000, -0.0006935400000000, -0.0000226200000000 ] - [ 0.0003176100000000, -0.0010672900000000, -0.0012361400000000 ] - [ 0.0002219300000000, 0.0004660600000000, -0.0005262100000000 ] - [ 0.0015977700000000, 0.0006440100000000, 0.0008448300000000 ] - [ -0.0004712900000000, 0.0044288400000000, 0.0004150200000000 ] - [ 0.0000296300000000, 0.0010051000000000, -0.0008632600000000 ] - [ 0.0000543100000000, 0.0009012400000000, -0.0002871400000000 ] - [ -0.0002398500000000, -0.0006016500000000, 0.0004906200000000 ] - [ -0.0002345700000000, -0.0005888600000000, 0.0003054800000000 ] - [ -0.0002621300000000, 0.0006389200000000, 0.0006066500000000 ] - [ -0.0003107100000000, 0.0007820800000000, 0.0005318700000000 ] - [ -0.0004376000000000, -0.0023997700000000, 0.0013009800000000 ] - [ 0.0004500800000000, -0.0007964700000000, -0.0003134600000000 ] - [ 0.0002878700000000, 0.0005328800000000, -0.0005661500000000 ] - [ 0.0002143100000000, 0.0005386100000000, -0.0005592100000000 ] - [ -0.0006526200000000, -0.0013030000000000, 0.0004990400000000 ] - [ 0.0000277100000000, -0.0019532100000000, 0.0005461100000000 ] - [ -0.0000404400000000, -0.0010683900000000, 0.0002577000000000 ] - [ 0.0001172900000000, -0.0015506600000000, 0.0002019000000000 ] - [ -0.0006894300000000, 0.0081157300000000, -0.0040250200000000 ] - [ -0.0001520900000000, 0.0006874900000000, 0.0000711600000000 ] - [ 0.0002917500000000, -0.0002763500000000, -0.0004987500000000 ] - [ 0.0002838200000000, -0.0003559100000000, -0.0005448100000000 ] - [ 0.0008730100000000, 0.0011010400000000, -0.0007686000000000 ] - [ -0.0000462600000000, 0.0007942300000000, 0.0003370900000000 ] - [ 0.0001779800000000, 0.0004830900000000, -0.0001534100000000 ] - [ 0.0001212300000000, 0.0004282700000000, -0.0001691600000000 ] - [ -0.0007611000000000, 0.0025321300000000, 0.0005569600000000 ] - [ -0.0002252900000000, -0.0001534800000000, -0.0001727600000000 ] - [ -0.0000223500000000, 0.0002678300000000, -0.0000757100000000 ] - [ -0.0000788900000000, 0.0003087900000000, -0.0000666100000000 ] - [ -0.0001268500000000, -0.0008419800000000, 0.0003000600000000 ] - [ -0.0001360400000000, -0.0006380000000000, 0.0001423000000000 ] - [ 0.0000405000000000, 0.0005189400000000, 0.0001533300000000 ] - [ -0.0010237800000000, 0.0010526800000000, -0.0001973100000000 ] - [ 0.0000417300000000, -0.0006209300000000, 0.0000858900000000 ] - [ -0.0000019700000000, -0.0004990100000000, 0.0000795800000000 ] - [ -0.0002584000000000, 0.0015547500000000, -0.0007817500000000 ] - [ 0.0003559800000000, -0.0002378400000000, -0.0003439800000000 ] - [ -0.0007122300000000, 0.0011868700000000, 0.0004474000000000 ] - [ -0.0001685900000000, 0.0003815000000000, 0.0007346200000000 ] - [ -0.0032074100000000, -0.0035545600000000, -0.0033265900000000 ] - [ -0.0000512200000000, -0.0000532000000000, -0.0009333000000000 ] - [ -0.0000504200000000, 0.0001863700000000, -0.0000177900000000 ] - [ -0.0000585400000000, 0.0002373000000000, -0.0000126000000000 ] - [ 0.0000393200000000, -0.0001875200000000, -0.0008352200000000 ] - [ 0.0001398200000000, -0.0003057400000000, -0.0007820200000000 ] - [ -0.0004389300000000, 0.0000946100000000, -0.0005172800000000 ] - [ -0.0004560200000000, 0.0000834000000000, -0.0005008300000000 ] - [ 0.0005280600000000, -0.0010439700000000, -0.0001029000000000 ] - [ -0.0000602300000000, 0.0002442200000000, -0.0005417500000000 ] - [ 0.0002249700000000, 0.0002476800000000, -0.0003544400000000 ] - [ -0.0001343500000000, -0.0004294700000000, -0.0004666400000000 ] - [ 0.0005173200000000, -0.0000343700000000, 0.0003619600000000 ] - [ 0.0005321100000000, -0.0000354300000000, 0.0003600500000000 ] - [ -0.0016862900000000, 0.0007223100000000, 0.0031423300000000 ] - [ -0.0006460800000000, -0.0001353100000000, -0.0007782300000000 ] - [ -0.0459058100000000, 0.0777548400000000, 0.0991775100000000 ] - [ 0.0004063800000000, 0.0000393100000000, 0.0008718000000000 ] - [ -0.0008329600000000, -0.0018552800000000, -0.0029666800000000 ] - [ -0.0001818900000000, -0.0003016600000000, -0.0004582900000000 ] - [ -0.0004053100000000, -0.0005077600000000, 0.0002660000000000 ] - [ -0.0003586500000000, -0.0005824900000000, 0.0002726100000000 ] - [ -0.0013604000000000, -0.0044063200000000, -0.0003807400000000 ] - [ -0.0002093700000000, -0.0005893700000000, -0.0001242300000000 ] - [ 0.0002005300000000, -0.0007000800000000, 0.0006629100000000 ] - [ -0.0000993200000000, -0.0000655700000000, 0.0004391200000000 ] - [ -0.0003648300000000, -0.0006085900000000, 0.0006052600000000 ] - [ -0.0003251700000000, -0.0009128400000000, 0.0005123900000000 ] - [ -0.0000581200000000, 0.0000914200000000, -0.0001027000000000 ] - [ -0.0000488900000000, 0.0001069900000000, -0.0001169100000000 ] - [ -0.0067405800000000, -0.0215929300000000, 0.0143817200000000 ] - [ 0.0005406300000000, -0.0003073000000000, -0.0004641600000000 ] - [ -0.0004340600000000, 0.0000120100000000, 0.0001129300000000 ] - [ -0.0001510400000000, 0.0004274500000000, 0.0003444000000000 ] - [ 0.0000031200000000, -0.0006837400000000, -0.0003332700000000 ] - [ 0.0000317100000000, -0.0007236600000000, -0.0003698500000000 ] - [ 0.0000347800000000, 0.0020808500000000, 0.0025151100000000 ] - [ 0.0007767200000000, 0.0006250600000000, 0.0003850600000000 ] - [ 0.0000783700000000, 0.0004164400000000, 0.0004953600000000 ] - [ 0.0000297800000000, 0.0004515400000000, 0.0004469700000000 ] - [ 0.0002676600000000, -0.0004463500000000, 0.0003531600000000 ] - [ -0.0001804300000000, -0.0004439200000000, 0.0003453900000000 ] - [ 0.0013633500000000, 0.0056347300000000, 0.0020301400000000 ] - [ 0.0000103400000000, 0.0010800600000000, -0.0002837600000000 ] - [ 0.0016413600000000, 0.0048090700000000, 0.0011578400000000 ] - [ 0.0001066300000000, -0.0003859300000000, 0.0003460500000000 ] - [ -0.0002137900000000, 0.0004820200000000, 0.0006518300000000 ] - [ -0.0002441200000000, 0.0005447800000000, 0.0006449500000000 ] - [ -0.0000490800000000, 0.0009386400000000, -0.0001975200000000 ] - [ 0.0001260500000000, 0.0011664300000000, -0.0001055000000000 ] - [ 0.0534405600000000, -0.0818574700000000, -0.1119582900000000 ] - [ -0.0005833800000000, -0.0004299300000000, -0.0001321200000000 ] - [ 0.0010391500000000, -0.0006185600000000, -0.0001268900000000 ] - [ -0.0000789000000000, -0.0000920900000000, -0.0000357800000000 ] - [ 0.0001070900000000, -0.0018547500000000, 0.0002808600000000 ] - [ -0.0000346800000000, -0.0008061900000000, -0.0002370100000000 ] - [ 0.0005723400000000, -0.0002784700000000, 0.0003350200000000 ] - [ 0.0006110400000000, -0.0002881100000000, 0.0003623400000000 ] - [ -0.0001083100000000, 0.0007597900000000, -0.0001114700000000 ] - [ -0.0000691000000000, 0.0009160800000000, -0.0000389400000000 ] - [ 0.0001201000000000, -0.0000388600000000, 0.0003565000000000 ] - [ -0.0001218800000000, 0.0040379300000000, 0.0007069900000000 ] - [ 0.0003772400000000, 0.0002126500000000, 0.0000517400000000 ] - [ 0.0005531200000000, 0.0002574500000000, 0.0000391500000000 ] - [ 0.0028870900000000, 0.0003379600000000, -0.0010812300000000 ] - [ -0.0011049800000000, 0.0003452500000000, -0.0001098400000000 ] - [ -0.0000217900000000, 0.0005342800000000, 0.0002512200000000 ] - [ 0.0001020600000000, 0.0005864600000000, 0.0001390900000000 ] - [ 0.0006072200000000, -0.0014955500000000, -0.0010037700000000 ] - [ 0.0003243300000000, -0.0005911800000000, -0.0006287100000000 ] - [ 0.0001388700000000, 0.0007853500000000, 0.0008024200000000 ] - [ 0.0000704400000000, 0.0004882100000000, 0.0000406900000000 ] - [ 0.0010147500000000, 0.0032973500000000, 0.0003762900000000 ] - [ -0.0004750400000000, 0.0002338400000000, -0.0000388500000000 ] - [ 0.0008241000000000, 0.0048946500000000, 0.0040595400000000 ] - [ -0.0001553900000000, -0.0003277200000000, 0.0008325600000000 ] - [ 0.0000345900000000, 0.0007972700000000, -0.0004396600000000 ] - [ 0.0007230300000000, 0.0007820500000000, -0.0001587700000000 ] - [ -0.0005828400000000, 0.0002147800000000, 0.0001254600000000 ] - [ -0.0005458500000000, 0.0002077900000000, 0.0001452800000000 ] - [ 0.0009953500000000, -0.0007022100000000, -0.0024585700000000 ] - [ -0.0010525900000000, 0.0003679700000000, -0.0009935200000000 ] - [ -0.0006067200000000, 0.0000433900000000, -0.0001328300000000 ] - [ -0.0005477200000000, 0.0000544300000000, -0.0001242800000000 ] - [ -0.0012566700000000, -0.0002491000000000, -0.0002854500000000 ] - [ 0.0000226600000000, -0.0006764000000000, -0.0000558500000000 ] - [ -0.0001140000000000, 0.0000580700000000, 0.0005104900000000 ] - [ -0.0000762000000000, 0.0000764700000000, 0.0005006000000000 ] - [ 0.0000482800000000, -0.0000405400000000, -0.0004245300000000 ] - [ 0.0000604000000000, -0.0000412500000000, -0.0003979000000000 ] - [ 0.0005499800000000, -0.0001108600000000, 0.0000666400000000 ] - [ 0.0005394500000000, -0.0001424300000000, 0.0000027100000000 ] - [ 0.0004360100000000, -0.0003376300000000, -0.0011892200000000 ] - [ 0.0002786100000000, 0.0001758700000000, -0.0003156300000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002074000000000, -0.0008579800000000, 0.0002969000000000 ] - [ 0.0000893500000000, -0.0009390800000000, 0.0002721000000000 ] - [ 0.0002190600000000, 0.0021393900000000, 0.0000574900000000 ] - [ 0.0003341800000000, 0.0006857200000000, -0.0006334200000000 ] - [ -0.0020335900000000, 0.0004699800000000, 0.0000913200000000 ] - [ -0.0000461700000000, -0.0033161800000000, 0.0004853000000000 ] - [ 0.0000496000000000, 0.0006335100000000, 0.0005931100000000 ] - [ 0.0000257900000000, 0.0007340000000000, 0.0000247300000000 ] - [ -0.0002453000000000, -0.0005300100000000, 0.0003916000000000 ] - [ -0.0002497500000000, -0.0005432700000000, 0.0005750700000000 ] - [ -0.0002894000000000, 0.0005181300000000, 0.0005533600000000 ] - [ -0.0002427400000000, 0.0003786400000000, 0.0006232900000000 ] - [ 0.0009462200000000, 0.0015262500000000, -0.0022891800000000 ] - [ 0.0000407200000000, -0.0003340200000000, -0.0005728800000000 ] - [ 0.0002009600000000, 0.0005988300000000, -0.0003306800000000 ] - [ 0.0002685600000000, 0.0005927300000000, -0.0003363600000000 ] - [ 0.0000890300000000, 0.0001493000000000, 0.0006716500000000 ] - [ -0.0005658300000000, 0.0007959900000000, 0.0006158800000000 ] - [ 0.0001194400000000, -0.0005662900000000, -0.0005061500000000 ] - [ -0.0000364800000000, -0.0000879200000000, -0.0004438800000000 ] - [ 0.0006987600000000, -0.0068548500000000, 0.0045515000000000 ] - [ 0.0000760600000000, 0.0009467800000000, 0.0001905200000000 ] - [ 0.0002633200000000, -0.0008806300000000, -0.0006740500000000 ] - [ 0.0002629600000000, -0.0008013700000000, -0.0006258700000000 ] - [ -0.0011206000000000, -0.0000060500000000, 0.0010165400000000 ] - [ -0.0002333400000000, 0.0002781900000000, -0.0000486300000000 ] - [ 0.0001019000000000, 0.0005846800000000, -0.0001333800000000 ] - [ 0.0001553500000000, 0.0006395400000000, -0.0001203700000000 ] - [ 0.0006040900000000, -0.0032407900000000, -0.0005574400000000 ] - [ 0.0001448700000000, -0.0005802400000000, 0.0000817600000000 ] - [ -0.0000555400000000, 0.0004637800000000, -0.0000209600000000 ] - [ -0.0000009500000000, 0.0004242400000000, -0.0000271200000000 ] - [ -0.0001475000000000, -0.0002269100000000, -0.0000221300000000 ] - [ -0.0001433100000000, -0.0004314500000000, 0.0001398800000000 ] - [ 0.0000423800000000, 0.0002179900000000, -0.0000606700000000 ] - [ 0.0010706500000000, -0.0002956100000000, 0.0002703100000000 ] - [ 0.0000340900000000, -0.0001135300000000, 0.0000029900000000 ] - [ 0.0000836200000000, -0.0002351000000000, 0.0000108300000000 ] - [ 0.0005823400000000, -0.0026096400000000, 0.0005344900000000 ] - [ -0.0000747400000000, -0.0008318100000000, 0.0000589200000000 ] - [ 0.0005072100000000, -0.0006578500000000, 0.0011336000000000 ] - [ -0.0000411500000000, 0.0001561400000000, 0.0008420800000000 ] - [ 0.0034192600000000, 0.0040923100000000, 0.0017582500000000 ] - [ 0.0002605900000000, 0.0005909000000000, -0.0006426600000000 ] - [ 0.0000504900000000, -0.0001851000000000, 0.0000186200000000 ] - [ 0.0000578600000000, -0.0002344000000000, 0.0000133000000000 ] - [ 0.0001678100000000, -0.0003467000000000, -0.0007419900000000 ] - [ 0.0000682500000000, -0.0002274400000000, -0.0007962700000000 ] - [ -0.0005621700000000, 0.0000142000000000, -0.0003084700000000 ] - [ -0.0005473300000000, 0.0000253100000000, -0.0003199400000000 ] - [ -0.0001156000000000, 0.0006423500000000, -0.0006286800000000 ] - [ 0.0004795500000000, -0.0006625400000000, -0.0001808000000000 ] - [ 0.0001872500000000, 0.0001532200000000, -0.0003754800000000 ] - [ 0.0005333200000000, 0.0008054600000000, -0.0002689400000000 ] - [ 0.0004937500000000, -0.0000706800000000, 0.0004433400000000 ] - [ 0.0004777800000000, -0.0000703200000000, 0.0004487300000000 ] - [ 0.0006634400000000, -0.0008182000000000, -0.0039068500000000 ] - [ -0.0003639600000000, 0.0000308800000000, -0.0000426200000000 ] - [ 0.0459350700000000, -0.0756268900000000, -0.0962667600000000 ] - [ 0.0005992600000000, 0.0000670200000000, -0.0000604500000000 ] - [ 0.0008347700000000, 0.0018589700000000, 0.0029551800000000 ] - [ 0.0001851800000000, 0.0003071800000000, 0.0004633200000000 ] - [ -0.0000061800000000, 0.0001096000000000, 0.0004659700000000 ] - [ -0.0000559900000000, 0.0001777000000000, 0.0004558600000000 ] - [ 0.0013528100000000, 0.0043842800000000, 0.0003651100000000 ] - [ 0.0002040400000000, 0.0005796700000000, 0.0001213800000000 ] - [ -0.0006076000000000, 0.0010908000000000, 0.0000756800000000 ] - [ -0.0003130100000000, 0.0004656100000000, 0.0002914500000000 ] - [ 0.0001460600000000, 0.0000585800000000, 0.0009648900000000 ] - [ 0.0001149100000000, 0.0003642300000000, 0.0010585900000000 ] - [ 0.0000549700000000, -0.0000852200000000, 0.0000968100000000 ] - [ 0.0000458300000000, -0.0001001600000000, 0.0001102300000000 ] - [ 0.0067656300000000, 0.0219808000000000, -0.0150330700000000 ] - [ -0.0004115000000000, 0.0004323600000000, -0.0003944400000000 ] - [ -0.0003508500000000, 0.0000430300000000, 0.0001095100000000 ] - [ -0.0006223800000000, -0.0003585900000000, -0.0001133700000000 ] - [ -0.0000256200000000, -0.0004467500000000, -0.0004285700000000 ] - [ -0.0000520200000000, -0.0004077800000000, -0.0003930700000000 ] - [ 0.0011212700000000, -0.0017191100000000, -0.0020441200000000 ] - [ 0.0003626200000000, -0.0002742300000000, 0.0000929300000000 ] - [ -0.0000558500000000, 0.0007126900000000, 0.0002738800000000 ] - [ -0.0000085900000000, 0.0006787000000000, 0.0003215300000000 ] - [ -0.0003704200000000, -0.0006595700000000, -0.0004429400000000 ] - [ 0.0000726800000000, -0.0006639900000000, -0.0004361200000000 ] - [ -0.0013951300000000, -0.0045468100000000, -0.0028471400000000 ] - [ -0.0000362000000000, 0.0000631700000000, -0.0004846000000000 ] - [ -0.0015313500000000, -0.0061567600000000, -0.0006434700000000 ] - [ -0.0000106100000000, -0.0009380200000000, 0.0001569700000000 ] - [ -0.0002775900000000, 0.0005580400000000, 0.0006286100000000 ] - [ -0.0002454800000000, 0.0004946000000000, 0.0006345800000000 ] - [ -0.0000494200000000, 0.0003939600000000, -0.0003006600000000 ] - [ -0.0002193300000000, 0.0001686700000000, -0.0003925200000000 ] - [ -0.0535438400000000, 0.0793719100000000, 0.1096102300000000 ] - [ -0.0005478200000000, 0.0000701300000000, 0.0002986200000000 ] - [ -0.0009493800000000, -0.0004810900000000, 0.0002214600000000 ] - [ 0.0001874100000000, -0.0010142000000000, 0.0001285800000000 ] - [ -0.0002090800000000, 0.0005410900000000, -0.0007815500000000 ] - [ -0.0000629900000000, -0.0005171400000000, -0.0002643800000000 ] - [ 0.0005712700000000, -0.0000762600000000, 0.0001549900000000 ] - [ 0.0005349400000000, -0.0000668400000000, 0.0001284900000000 ] - [ 0.0000009000000000, 0.0003497900000000, 0.0000188100000000 ] - [ -0.0000313200000000, 0.0002026500000000, -0.0000490000000000 ] - [ -0.0000952600000000, -0.0010844400000000, 0.0004069700000000 ] - [ 0.0001279400000000, -0.0051649600000000, 0.0000601200000000 ] - [ 0.0004028600000000, -0.0002695600000000, -0.0002675100000000 ] - [ 0.0002321700000000, -0.0003103800000000, -0.0002554200000000 ] - [ -0.0029874600000000, -0.0004674200000000, 0.0019167100000000 ] - [ 0.0009676900000000, -0.0004725300000000, 0.0009610600000000 ] - [ 0.0001166600000000, 0.0007863500000000, 0.0002534800000000 ] - [ -0.0000006100000000, 0.0007340500000000, 0.0003645000000000 ] - [ -0.0001150900000000, 0.0004627100000000, -0.0002620500000000 ] - [ 0.0001667800000000, -0.0004513500000000, -0.0006453700000000 ] - [ -0.0000292700000000, 0.0003296600000000, -0.0006826300000000 ] - [ 0.0000364400000000, 0.0006185900000000, 0.0000525400000000 ] - [ -0.0021440700000000, -0.0036179900000000, -0.0008805100000000 ] - [ -0.0006714500000000, -0.0005857300000000, -0.0004507900000000 ] - [ -0.0013295700000000, -0.0059253000000000, -0.0027679700000000 ] - [ -0.0003364500000000, -0.0007154200000000, 0.0004433100000000 ] - [ 0.0004438000000000, 0.0002566700000000, -0.0008271600000000 ] - [ -0.0002120700000000, 0.0002680200000000, -0.0011156600000000 ] - [ -0.0005450300000000, 0.0001424100000000, 0.0000521300000000 ] - [ -0.0005788800000000, 0.0001495000000000, 0.0000300700000000 ] - [ 0.0001238600000000, 0.0010415500000000, 0.0022574200000000 ] - [ 0.0021619400000000, -0.0000126600000000, 0.0008112200000000 ] - [ -0.0005370100000000, 0.0003041600000000, -0.0003433700000000 ] - [ -0.0005937700000000, 0.0002923900000000, -0.0003522100000000 ] - [ 0.0004846500000000, 0.0001994700000000, 0.0004984900000000 ] - [ -0.0008128600000000, 0.0006315200000000, 0.0002705700000000 ] - [ -0.0000222900000000, 0.0000656900000000, 0.0003522500000000 ] - [ -0.0000584500000000, 0.0000488500000000, 0.0003625000000000 ] - [ 0.0000820100000000, -0.0000861200000000, -0.0004240300000000 ] - [ 0.0000727700000000, -0.0000848600000000, -0.0004532200000000 ] - [ 0.0005717300000000, -0.0002476800000000, -0.0002255000000000 ] - [ 0.0005831100000000, -0.0002145900000000, -0.0001672800000000 ] - [ 0.0003453700000000, 0.0003821500000000, 0.0009542700000000 ] - [ 0.0005027300000000, -0.0001210300000000, 0.0000940300000000 ]- atom: 93 displacement: [ -0.0034825650259930, 0.0000000000000000, 0.0093739927906805 ] forces: - [ 0.0011130100000000, -0.0006872600000000, -0.0021541200000000 ] - [ -0.0010214300000000, -0.0005488600000000, -0.0012609000000000 ] - [ -0.0020393400000000, -0.0093398200000000, -0.0029706500000000 ] - [ 0.0011471400000000, 0.0001932600000000, 0.0001233100000000 ] - [ 0.0071068900000000, -0.0016100200000000, 0.0074080700000000 ] - [ 0.0016721200000000, 0.0019804800000000, 0.0070316700000000 ] - [ -0.0001664900000000, 0.0000871800000000, -0.0024172600000000 ] - [ 0.0002246300000000, 0.0006962200000000, -0.0009441300000000 ] - [ -0.0001265500000000, -0.0004181100000000, -0.0013808400000000 ] - [ -0.0000926100000000, -0.0005861200000000, -0.0011902200000000 ] - [ -0.0001818500000000, 0.0005805700000000, -0.0004834300000000 ] - [ -0.0005014400000000, 0.0008580800000000, -0.0016860500000000 ] - [ -0.0040462100000000, 0.0020730200000000, 0.0085322000000000 ] - [ 0.0014411000000000, -0.0005185800000000, 0.0003818400000000 ] - [ 0.0007471300000000, 0.0005659300000000, -0.0015941400000000 ] - [ -0.0001309100000000, 0.0005927000000000, -0.0013746400000000 ] - [ -0.0011274100000000, -0.0002545900000000, 0.0026656500000000 ] - [ 0.0008331400000000, -0.0008212200000000, 0.0016964300000000 ] - [ 0.0011490100000000, -0.0005770700000000, 0.0001601200000000 ] - [ -0.0009424500000000, -0.0013039700000000, 0.0012910300000000 ] - [ -0.0015663500000000, 0.0022622300000000, 0.0045067100000000 ] - [ 0.0010255900000000, 0.0010682500000000, 0.0013192700000000 ] - [ 0.0015423700000000, -0.0007026900000000, -0.0030494700000000 ] - [ -0.0009700500000000, -0.0010585600000000, -0.0018289000000000 ] - [ 0.0041664900000000, 0.0033878900000000, -0.0050483000000000 ] - [ -0.0002898700000000, 0.0007086500000000, 0.0005354400000000 ] - [ 0.0004964400000000, 0.0004092800000000, -0.0007563800000000 ] - [ -0.0003640600000000, 0.0003280400000000, -0.0008713400000000 ] - [ -0.0029815700000000, 0.0013996500000000, 0.0044359900000000 ] - [ -0.0001967800000000, -0.0005383900000000, 0.0005534400000000 ] - [ 0.0002712000000000, 0.0001295700000000, -0.0009959900000000 ] - [ -0.0002123600000000, 0.0003037300000000, -0.0004870500000000 ] - [ 0.0002603600000000, -0.0001317000000000, -0.0008297500000000 ] - [ -0.0003187200000000, -0.0004527800000000, -0.0002029700000000 ] - [ 0.0007963300000000, 0.0006173100000000, -0.0000206700000000 ] - [ -0.0047321100000000, 0.0027896000000000, -0.0027544900000000 ] - [ -0.0006111200000000, -0.0000114200000000, -0.0006587300000000 ] - [ 0.0004586300000000, -0.0001821900000000, -0.0005074200000000 ] - [ -0.0019581100000000, -0.0016017700000000, 0.0004168700000000 ] - [ 0.0009732900000000, -0.0008863700000000, 0.0000587600000000 ] - [ -0.0026433600000000, 0.0050679900000000, -0.0004162100000000 ] - [ -0.0002209400000000, 0.0004162100000000, 0.0007618400000000 ] - [ 0.0002676800000000, 0.0007048400000000, -0.0004776500000000 ] - [ 0.0003624100000000, 0.0008960800000000, -0.0004736300000000 ] - [ -0.0000272100000000, 0.0001582800000000, 0.0002480900000000 ] - [ -0.0000228400000000, 0.0002113700000000, 0.0002214100000000 ] - [ -0.0004047100000000, 0.0004450900000000, -0.0009598700000000 ] - [ -0.0002174000000000, 0.0005587500000000, -0.0011061000000000 ] - [ 0.0003038400000000, 0.0003299600000000, -0.0019052000000000 ] - [ 0.0002329100000000, 0.0003292900000000, -0.0017681800000000 ] - [ 0.0002500800000000, 0.0011461700000000, -0.0009362300000000 ] - [ -0.0013876500000000, 0.0020482400000000, -0.0011732100000000 ] - [ 0.0000475100000000, 0.0000233600000000, -0.0003706300000000 ] - [ -0.0017727300000000, -0.0034093800000000, -0.0011391000000000 ] - [ 0.0014453100000000, 0.0003173900000000, -0.0015323600000000 ] - [ 0.0011960500000000, 0.0001977500000000, -0.0007984400000000 ] - [ -0.0025135400000000, 0.0012611200000000, 0.0049695200000000 ] - [ -0.0024995100000000, 0.0007343000000000, 0.0038482200000000 ] - [ -0.2451977800000000, 0.1006637700000000, 0.5324133700000000 ] - [ 0.0004013600000000, -0.0000165100000000, -0.0003923900000000 ] - [ 0.0010664200000000, 0.0020157900000000, 0.0014282700000000 ] - [ 0.0007604900000000, 0.0016590800000000, 0.0019016600000000 ] - [ -0.0007297300000000, -0.0008650600000000, 0.0002174500000000 ] - [ -0.0005318700000000, -0.0010390500000000, 0.0000299600000000 ] - [ 0.0005567400000000, 0.0006058100000000, -0.0011688200000000 ] - [ -0.0004484400000000, -0.0005707800000000, -0.0003401500000000 ] - [ -0.0006545900000000, 0.0008052400000000, 0.0007058800000000 ] - [ -0.0000638100000000, -0.0001597500000000, 0.0005793300000000 ] - [ -0.0015297200000000, -0.0022159000000000, -0.0001364700000000 ] - [ -0.0000448700000000, -0.0015008000000000, 0.0001279000000000 ] - [ -0.0006120900000000, 0.0013233800000000, -0.0011805200000000 ] - [ -0.0004942600000000, 0.0012140400000000, -0.0011213100000000 ] - [ -0.0362727100000000, 0.0186323100000000, 0.0709719800000000 ] - [ -0.0010214600000000, 0.0002656100000000, -0.0007610600000000 ] - [ -0.0006815500000000, 0.0001541300000000, 0.0008417900000000 ] - [ 0.0010977500000000, 0.0020376900000000, 0.0019829800000000 ] - [ -0.0002387300000000, -0.0006563600000000, 0.0005628600000000 ] - [ 0.0002582700000000, -0.0006048400000000, 0.0003439000000000 ] - [ 0.0015819900000000, 0.0000046600000000, -0.0037735000000000 ] - [ -0.0002769200000000, -0.0013138900000000, -0.0009766000000000 ] - [ 0.0002273600000000, 0.0004879100000000, 0.0010011100000000 ] - [ -0.0001541100000000, 0.0004774600000000, 0.0009744300000000 ] - [ 0.0008466200000000, 0.0000357900000000, 0.0003281900000000 ] - [ -0.0006439100000000, 0.0000734700000000, 0.0006114300000000 ] - [ 0.0006715700000000, -0.0010331000000000, -0.0045400200000000 ] - [ -0.0010529600000000, 0.0017290500000000, -0.0009352700000000 ] - [ 0.0016247100000000, -0.0023593300000000, 0.0016532500000000 ] - [ -0.0003714900000000, -0.0011099900000000, 0.0001257300000000 ] - [ -0.0002465200000000, 0.0001358400000000, 0.0014669800000000 ] - [ 0.0002068600000000, 0.0000259600000000, 0.0012651800000000 ] - [ -0.0002047800000000, 0.0017528800000000, 0.0006800200000000 ] - [ 0.0005573500000000, 0.0018365100000000, 0.0003278500000000 ] - [ 0.2852036600000000, -0.1176596000000000, -0.6232147800000000 ] - [ -0.0018685300000000, -0.0003716800000000, -0.0003818200000000 ] - [ -0.0003689400000000, -0.0018411800000000, 0.0007173100000000 ] - [ 0.0006554900000000, -0.0018231600000000, 0.0003111900000000 ] - [ 0.0006787100000000, -0.0020931800000000, 0.0057449400000000 ] - [ 0.0000152300000000, -0.0006594500000000, -0.0001114400000000 ] - [ 0.0005225900000000, -0.0008365500000000, 0.0015774200000000 ] - [ 0.0009815300000000, -0.0007641200000000, 0.0015418600000000 ] - [ -0.0004616500000000, 0.0008529700000000, 0.0000167700000000 ] - [ 0.0015292900000000, 0.0007870700000000, 0.0012002000000000 ] - [ -0.0000328900000000, -0.0001000800000000, -0.0001321200000000 ] - [ 0.0001270700000000, -0.0013635800000000, -0.0001570300000000 ] - [ 0.0003480800000000, 0.0003173900000000, 0.0006076500000000 ] - [ 0.0008934900000000, 0.0005100800000000, 0.0003967400000000 ] - [ 0.0019895900000000, -0.0003127500000000, -0.0031379600000000 ] - [ -0.0007110800000000, 0.0006169000000000, -0.0034475600000000 ] - [ -0.0004117300000000, 0.0001269800000000, 0.0010144700000000 ] - [ 0.0007846500000000, 0.0001635500000000, 0.0007249000000000 ] - [ 0.0022867200000000, -0.0035860500000000, 0.0016721300000000 ] - [ -0.0000965200000000, -0.0006759200000000, -0.0000339700000000 ] - [ 0.0005324000000000, 0.0017514100000000, 0.0041391900000000 ] - [ 0.0001785600000000, 0.0005654200000000, 0.0002798700000000 ] - [ -0.0013430300000000, -0.0005042300000000, -0.0027071200000000 ] - [ -0.0010864400000000, -0.0010250000000000, -0.0019266000000000 ] - [ -0.0007914200000000, 0.0019285000000000, 0.0000567100000000 ] - [ -0.0005639500000000, -0.0008558700000000, 0.0001215300000000 ] - [ -0.0017560100000000, 0.0021185600000000, 0.0007860100000000 ] - [ 0.0031284400000000, 0.0012858700000000, -0.0008899400000000 ] - [ -0.0012685700000000, 0.0001376700000000, 0.0018365100000000 ] - [ -0.0005929900000000, 0.0001304100000000, 0.0012479900000000 ] - [ -0.0007135400000000, -0.0021690100000000, -0.0037982900000000 ] - [ 0.0023463300000000, -0.0001148200000000, -0.0030566900000000 ] - [ -0.0005852600000000, -0.0002619500000000, 0.0012416400000000 ] - [ -0.0001872100000000, -0.0003985000000000, 0.0009495000000000 ] - [ 0.0026286300000000, -0.0008428600000000, -0.0004869300000000 ] - [ -0.0031287900000000, -0.0019368700000000, 0.0015044600000000 ] - [ -0.0005677400000000, -0.0001733800000000, 0.0016643700000000 ] - [ -0.0002290700000000, -0.0000933700000000, 0.0017500600000000 ] - [ -0.0006600400000000, -0.0004508200000000, 0.0012501400000000 ] - [ 0.0000644500000000, -0.0002843000000000, 0.0006716700000000 ] - [ 0.0003674200000000, -0.0003196400000000, 0.0013882000000000 ] - [ 0.0000706900000000, -0.0002656900000000, 0.0010766800000000 ] - [ 0.0002948600000000, -0.0024893600000000, 0.0005088700000000 ] - [ 0.0001693800000000, 0.0002522100000000, -0.0003734200000000 ]- atom: 93 displacement: [ 0.0034825650259930, 0.0000000000000000, -0.0093739927906805 ] forces: - [ -0.0012048000000000, -0.0009440600000000, 0.0024330400000000 ] - [ 0.0009498200000000, -0.0010838400000000, 0.0015306000000000 ] - [ 0.0026210700000000, 0.0106025700000000, 0.0018291700000000 ] - [ -0.0006055400000000, 0.0009660400000000, -0.0012936400000000 ] - [ -0.0076296400000000, 0.0027401100000000, -0.0066032100000000 ] - [ -0.0022155400000000, -0.0008814400000000, -0.0061810500000000 ] - [ 0.0002479900000000, 0.0015475400000000, 0.0021746900000000 ] - [ -0.0001441700000000, 0.0009337900000000, 0.0006931000000000 ] - [ -0.0003624000000000, -0.0007094500000000, 0.0022786300000000 ] - [ -0.0003952800000000, -0.0005402700000000, 0.0020902600000000 ] - [ -0.0003712700000000, 0.0005728200000000, 0.0016511700000000 ] - [ -0.0000476900000000, 0.0002927100000000, 0.0028662200000000 ] - [ 0.0045719100000000, -0.0031188400000000, -0.0095074700000000 ] - [ -0.0009639800000000, -0.0006060800000000, -0.0012739000000000 ] - [ -0.0002628400000000, 0.0005609400000000, 0.0007165900000000 ] - [ 0.0006205500000000, 0.0005336000000000, 0.0004958500000000 ] - [ 0.0005809500000000, -0.0008972200000000, -0.0015151700000000 ] - [ -0.0013914200000000, -0.0003295500000000, -0.0005327100000000 ] - [ -0.0010777100000000, -0.0010511300000000, -0.0004275300000000 ] - [ 0.0010308600000000, -0.0003177600000000, -0.0015712100000000 ] - [ 0.0015567300000000, -0.0008324100000000, -0.0041866800000000 ] - [ -0.0011151700000000, 0.0005621400000000, -0.0010669200000000 ] - [ -0.0009989700000000, -0.0004513700000000, 0.0019049700000000 ] - [ 0.0015287300000000, -0.0000914100000000, 0.0006790800000000 ] - [ -0.0044822800000000, -0.0023472600000000, 0.0053759100000000 ] - [ 0.0000122000000000, 0.0003576800000000, -0.0002578300000000 ] - [ -0.0002223200000000, 0.0006621300000000, 0.0004770500000000 ] - [ 0.0006468300000000, 0.0007438000000000, 0.0005935700000000 ] - [ 0.0025626600000000, -0.0018642000000000, -0.0041899900000000 ] - [ 0.0001214900000000, -0.0001953500000000, -0.0006472500000000 ] - [ -0.0003521100000000, 0.0006074600000000, 0.0009130700000000 ] - [ 0.0001352700000000, 0.0004311900000000, 0.0003977700000000 ] - [ -0.0005407100000000, -0.0009399800000000, 0.0011204900000000 ] - [ 0.0000426800000000, -0.0006170300000000, 0.0004900200000000 ] - [ -0.0007246800000000, 0.0001124300000000, 0.0001107800000000 ] - [ 0.0048505800000000, -0.0020780400000000, 0.0028547200000000 ] - [ 0.0006926500000000, -0.0007247700000000, 0.0007552800000000 ] - [ -0.0003829700000000, -0.0005524200000000, 0.0006031000000000 ] - [ 0.0023337700000000, 0.0005936700000000, -0.0006238400000000 ] - [ -0.0007009400000000, -0.0001821800000000, -0.0003409200000000 ] - [ 0.0024511300000000, -0.0045672800000000, 0.0020003000000000 ] - [ 0.0000174000000000, 0.0001103800000000, 0.0008189400000000 ] - [ -0.0000559700000000, -0.0001638000000000, -0.0010974100000000 ] - [ -0.0001578500000000, -0.0003691100000000, -0.0011080900000000 ] - [ 0.0000281000000000, -0.0001610200000000, -0.0002500000000000 ] - [ 0.0000229800000000, -0.0002134300000000, -0.0002231700000000 ] - [ 0.0006147000000000, -0.0009804000000000, -0.0006183200000000 ] - [ 0.0004251300000000, -0.0010945300000000, -0.0004709100000000 ] - [ -0.0013102500000000, -0.0002233800000000, 0.0010869500000000 ] - [ -0.0012401000000000, -0.0002227800000000, 0.0009514100000000 ] - [ 0.0001551100000000, -0.0015545100000000, 0.0002043300000000 ] - [ 0.0018019400000000, -0.0024464800000000, 0.0004400100000000 ] - [ 0.0003578500000000, 0.0003631800000000, -0.0003648300000000 ] - [ 0.0021944100000000, 0.0038264900000000, 0.0004108200000000 ] - [ -0.0004521300000000, -0.0004293600000000, 0.0023765200000000 ] - [ -0.0002009900000000, -0.0003086600000000, 0.0016367100000000 ] - [ 0.0015410400000000, -0.0013925300000000, -0.0058848100000000 ] - [ 0.0014975100000000, -0.0008425400000000, -0.0046675300000000 ] - [ 0.2656360900000000, -0.1106779500000000, -0.5712927600000000 ] - [ 0.0005976700000000, 0.0001280200000000, 0.0012381400000000 ] - [ -0.0010729400000000, -0.0020236600000000, -0.0014279700000000 ] - [ -0.0007687300000000, -0.0016745700000000, -0.0019221500000000 ] - [ 0.0003289400000000, 0.0004837600000000, 0.0005187300000000 ] - [ 0.0001296600000000, 0.0006592100000000, 0.0007074900000000 ] - [ -0.0005531300000000, -0.0006022500000000, 0.0011779000000000 ] - [ 0.0004550500000000, 0.0005830900000000, 0.0003439400000000 ] - [ 0.0002458500000000, -0.0004150400000000, 0.0000222600000000 ] - [ -0.0003442300000000, 0.0005539400000000, 0.0001526600000000 ] - [ 0.0013369900000000, 0.0017043800000000, 0.0017264500000000 ] - [ -0.0001602700000000, 0.0009821000000000, 0.0014600700000000 ] - [ 0.0006167900000000, -0.0013332300000000, 0.0011894200000000 ] - [ 0.0004982900000000, -0.0012242000000000, 0.0011308800000000 ] - [ 0.0371243200000000, -0.0189838200000000, -0.0730315500000000 ] - [ 0.0011762700000000, -0.0001462800000000, -0.0001046300000000 ] - [ -0.0000944700000000, -0.0000887600000000, -0.0006218900000000 ] - [ -0.0018915300000000, -0.0019897100000000, -0.0017761600000000 ] - [ 0.0002179000000000, -0.0004606600000000, -0.0013391000000000 ] - [ -0.0002830300000000, -0.0005126700000000, -0.0011182000000000 ] - [ -0.0004513300000000, 0.0003347300000000, 0.0042787100000000 ] - [ 0.0014301600000000, 0.0016757700000000, 0.0014601900000000 ] - [ -0.0002066300000000, 0.0006316500000000, -0.0002371900000000 ] - [ 0.0001778100000000, 0.0006431800000000, -0.0002112700000000 ] - [ -0.0009643700000000, -0.0011554600000000, -0.0004284300000000 ] - [ 0.0005362100000000, -0.0011919400000000, -0.0007129400000000 ] - [ -0.0006996700000000, 0.0021928600000000, 0.0038150200000000 ] - [ 0.0010412700000000, -0.0006281700000000, 0.0001699100000000 ] - [ -0.0015306900000000, 0.0010479200000000, -0.0011510400000000 ] - [ 0.0004782900000000, -0.0002014100000000, 0.0003783200000000 ] - [ -0.0002458800000000, 0.0009070200000000, -0.0001958000000000 ] - [ -0.0007032400000000, 0.0010179700000000, 0.0000083600000000 ] - [ 0.0001043100000000, -0.0004521300000000, -0.0011941900000000 ] - [ -0.0006673500000000, -0.0005375500000000, -0.0008377700000000 ] - [ -0.3062511200000000, 0.1276118800000000, 0.6638650000000000 ] - [ 0.0007624900000000, 0.0000172400000000, 0.0005445300000000 ] - [ 0.0004838800000000, 0.0007344400000000, -0.0006278400000000 ] - [ -0.0005505800000000, 0.0007234400000000, -0.0002196200000000 ] - [ -0.0007941100000000, 0.0007927100000000, -0.0062672600000000 ] - [ -0.0001208900000000, -0.0006522600000000, -0.0003959600000000 ] - [ 0.0006199800000000, 0.0005001000000000, -0.0011111400000000 ] - [ 0.0001558500000000, 0.0004275700000000, -0.0010759900000000 ] - [ 0.0003555600000000, 0.0002566800000000, -0.0001109200000000 ] - [ -0.0016575100000000, 0.0003192100000000, -0.0013075600000000 ] - [ 0.0000539500000000, -0.0010287400000000, 0.0009041300000000 ] - [ -0.0000954400000000, 0.0002512600000000, 0.0009294500000000 ] - [ 0.0004322600000000, -0.0003854200000000, -0.0008392000000000 ] - [ -0.0001179500000000, -0.0005803000000000, -0.0006267800000000 ] - [ -0.0021787700000000, 0.0001807500000000, 0.0040508600000000 ] - [ 0.0005790000000000, -0.0007422500000000, 0.0043217800000000 ] - [ 0.0005211600000000, 0.0011908800000000, -0.0005141100000000 ] - [ -0.0006876200000000, 0.0011540000000000, -0.0002216000000000 ] - [ -0.0018036500000000, 0.0025607400000000, -0.0029624800000000 ] - [ 0.0005904700000000, -0.0003622600000000, -0.0012487800000000 ] - [ -0.0004244700000000, -0.0006439600000000, -0.0040792100000000 ] - [ -0.0000677100000000, 0.0005509100000000, -0.0001850100000000 ] - [ 0.0001982000000000, 0.0001425200000000, 0.0022554500000000 ] - [ -0.0000478800000000, 0.0006892500000000, 0.0014675200000000 ] - [ 0.0002953600000000, -0.0029794700000000, 0.0012142300000000 ] - [ 0.0000735300000000, -0.0001825800000000, 0.0011571700000000 ] - [ 0.0022709100000000, -0.0010921200000000, -0.0020770900000000 ] - [ -0.0026674000000000, -0.0002490700000000, -0.0003814600000000 ] - [ 0.0001532000000000, 0.0002222100000000, -0.0016887400000000 ] - [ -0.0005280700000000, 0.0002296900000000, -0.0010954800000000 ] - [ 0.0018392200000000, 0.0025575100000000, 0.0036918800000000 ] - [ -0.0012065400000000, 0.0004592200000000, 0.0029144300000000 ] - [ -0.0005557300000000, 0.0006078300000000, -0.0017295300000000 ] - [ -0.0009576300000000, 0.0007458800000000, -0.0014366200000000 ] - [ -0.0034382200000000, 0.0007924600000000, 0.0007061300000000 ] - [ 0.0023481400000000, 0.0018790800000000, -0.0012844700000000 ] - [ 0.0004336900000000, 0.0002965000000000, -0.0008072200000000 ] - [ 0.0000919500000000, 0.0002164600000000, -0.0008947000000000 ] - [ 0.0008047400000000, 0.0003319100000000, -0.0021309800000000 ] - [ 0.0000737300000000, 0.0001641800000000, -0.0015474100000000 ] - [ 0.0007551700000000, -0.0000395100000000, -0.0015619800000000 ] - [ 0.0010542100000000, -0.0000939100000000, -0.0012478500000000 ] - [ 0.0004920500000000, 0.0025738200000000, -0.0007313100000000 ] - [ 0.0006138500000000, -0.0001894300000000, 0.0001535600000000 ]