# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1479d645-cfa1-47a8-8a28-600c79e16fa1/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 KBaLiZnF6 / R3m (160) / materials id 703273](https://mdr.nims.go.jp/datasets/d5e279e6-3209-466d-884a-ff6df82ab76d) ## 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: "R3m" number: 160 Hall_symbol: "R 3 -2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.846021106666670, 1.643151056666665, 23.344084409999972 ] # a - [ -2.846021113333330, 1.643151056666665, 23.344084409999972 ] # b - [ 0.000000006666670, -3.286302113333335, 23.344084409999972 ] # c points: - symbol: K # 1 coordinates: [ 0.298021360000000, 0.298021360000001, 0.298021360000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.599214630000000, 0.599214640000001, 0.599214630000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.199028040000000, 0.199028040000001, 0.199028040000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.100470300000000, 0.100470300000000, 0.100470300000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.700447350000000, 0.700447340000000, 0.700447350000000 ] mass: 39.098300 - symbol: Ba # 6 coordinates: [ 0.001226550000000, 0.001226550000000, 0.001226550000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.899604250000000, 0.899604240000001, 0.899604250000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.501294190000000, 0.501294200000000, 0.501294190000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.800970580000000, 0.800970570000000, 0.800970580000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.400265730000000, 0.400265740000000, 0.400265730000000 ] mass: 137.327000 - symbol: Li # 11 coordinates: [ 0.250207820000000, 0.250207820000001, 0.250207820000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.849368310000000, 0.849368300000000, 0.849368310000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.151524220000000, 0.151524220000000, 0.151524220000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.750420790000000, 0.750420780000000, 0.750420790000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.350072870000000, 0.350072880000000, 0.350072870000000 ] mass: 6.941000 - symbol: Zn # 16 coordinates: [ 0.650414120000000, 0.650414130000001, 0.650414120000000 ] mass: 65.380000 - symbol: Zn # 17 coordinates: [ 0.948984040000000, 0.948984030000001, 0.948984040000000 ] mass: 65.380000 - symbol: Zn # 18 coordinates: [ 0.449701270000000, 0.449701280000000, 0.449701270000000 ] mass: 65.380000 - symbol: Zn # 19 coordinates: [ 0.549977230000000, 0.549977240000001, 0.549977230000000 ] mass: 65.380000 - symbol: Zn # 20 coordinates: [ 0.050454160000000, 0.050454160000000, 0.050454160000000 ] mass: 65.380000 - symbol: F # 21 coordinates: [ 0.500176030000000, 0.000787850000000, 0.500176030000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.805809590000000, 0.805809570000001, 0.291624770000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.000787850000000, 0.500176030000000, 0.500176030000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.291624770000000, 0.805809570000001, 0.805809590000000 ] mass: 18.998403 - symbol: F # 25 coordinates: [ 0.805809590000000, 0.291624750000001, 0.805809590000000 ] mass: 18.998403 - symbol: F # 26 coordinates: [ 0.500176030000000, 0.500176030000000, 0.000787850000000 ] mass: 18.998403 - symbol: F # 27 coordinates: [ 0.096738870000000, 0.604214070000001, 0.096738870000000 ] mass: 18.998403 - symbol: F # 28 coordinates: [ 0.398943570000000, 0.398943560000001, 0.901325060000000 ] mass: 18.998403 - symbol: F # 29 coordinates: [ 0.604214060000000, 0.096738880000001, 0.096738870000000 ] mass: 18.998403 - symbol: F # 30 coordinates: [ 0.901325060000000, 0.398943560000001, 0.398943570000000 ] mass: 18.998403 - symbol: F # 31 coordinates: [ 0.398943570000000, 0.901325050000001, 0.398943570000000 ] mass: 18.998403 - symbol: F # 32 coordinates: [ 0.096738870000000, 0.096738880000001, 0.604214060000000 ] mass: 18.998403 - symbol: F # 33 coordinates: [ 0.700087090000000, 0.198913070000001, 0.700087090000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.995281650000000, 0.995281660000000, 0.506238940000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.198913070000000, 0.700087090000000, 0.700087090000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.506238940000000, 0.995281660000000, 0.995281650000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.700087090000000, 0.700087090000000, 0.198913070000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.995281650000000, 0.506238950000000, 0.995281650000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.600252500000000, 0.600252500000000, 0.099337200000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.303540590000000, 0.794649000000000, 0.303540590000000 ] mass: 18.998403 - symbol: F # 41 coordinates: [ 0.794649000000000, 0.303540590000000, 0.303540590000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.099337200000000, 0.600252500000000, 0.600252500000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.600252500000000, 0.099337200000000, 0.600252500000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.303540590000000, 0.303540590000000, 0.794649000000000 ] mass: 18.998403 - symbol: F # 45 coordinates: [ 0.899596450000000, 0.401734920000000, 0.899596450000000 ] mass: 18.998403 - symbol: F # 46 coordinates: [ 0.200893060000000, 0.200893060000000, 0.699110660000000 ] mass: 18.998403 - symbol: F # 47 coordinates: [ 0.699110660000000, 0.200893060000000, 0.200893060000000 ] mass: 18.998403 - symbol: F # 48 coordinates: [ 0.401734910000000, 0.899596460000000, 0.899596450000000 ] mass: 18.998403 - symbol: F # 49 coordinates: [ 0.200893060000000, 0.699110660000000, 0.200893060000000 ] mass: 18.998403 - symbol: F # 50 coordinates: [ 0.899596450000000, 0.899596460000000, 0.401734910000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.175683869049025, 0.101431129278146, 0.014279135025340 ] # a* - [ -0.175683869049025, 0.101431128565354, 0.014279135025340 ] # b* - [ 0.000000000000000, -0.202862257843500, 0.014279135025340 ] # c*unit_cell: lattice: - [ 5.692042220000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.846021120000000, 4.929453170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 70.032253229999995 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.298021360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.265881300000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.199028040000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.100470300000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.033780680000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.631354690000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.599214630000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.532361380000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.433803640000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.367114010000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.964688020000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.932547960000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.865694710000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.767136970000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.700447340000000 ] mass: 39.098300 reduced_to: 5 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001226550000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.232937580000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.167960860000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.134303910000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.066932400000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.334559880000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.566270920000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.501294200000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.467637240000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.400265730000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.667893220000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899604250000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.834627530000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800970570000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.733599070000000 ] mass: 137.327000 reduced_to: 20 - symbol: Li # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250207820000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.182701640000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.151524220000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083754120000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.016739540000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.583541150000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.516034970000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.484857560000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.417087450000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.350072870000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.916874480000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.849368300000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.818190890000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750420790000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.683406200000000 ] mass: 6.941000 reduced_to: 35 - symbol: Zn # 46 coordinates: [ 0.333333330000000, 0.666666670000000, 0.317080790000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.282317370000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 48 coordinates: [ 0.333333330000000, 0.666666670000000, 0.116367940000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.216643900000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050454160000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650414120000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.615650700000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.449701270000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 54 coordinates: [ 0.000000000000000, 0.000000000000000, 0.549977240000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 55 coordinates: [ 0.666666670000000, 0.333333330000000, 0.383787500000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.983747450000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.948984030000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 58 coordinates: [ 0.666666670000000, 0.333333330000000, 0.783034600000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.883310570000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 60 coordinates: [ 0.333333330000000, 0.666666670000000, 0.717120830000000 ] mass: 65.380000 reduced_to: 50 - symbol: F # 61 coordinates: [ 0.499796060000000, 0.500203940000000, 0.000379970000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.504728280000000, 0.009456540000000, 0.301081310000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 63 coordinates: [ 0.000407880000000, 0.500203940000000, 0.000379970000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.990543460000000, 0.495271720000000, 0.301081310000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 65 coordinates: [ 0.504728280000000, 0.495271720000000, 0.301081310000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.499796060000000, 0.999592120000000, 0.000379970000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 67 coordinates: [ 0.830841600000000, 0.169158400000000, 0.265897270000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.165872840000000, 0.331745670000000, 0.233070730000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 69 coordinates: [ 0.338316790000000, 0.169158400000000, 0.265897270000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.668254330000000, 0.834127160000000, 0.233070730000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 71 coordinates: [ 0.165872840000000, 0.834127160000000, 0.233070730000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.830841600000000, 0.661683210000000, 0.265897270000000 ] mass: 18.998403 reduced_to: 72 - symbol: F # 73 coordinates: [ 0.500391340000000, 0.499608660000000, 0.199695750000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.829680900000000, 0.659361810000000, 0.165600750000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 75 coordinates: [ 0.999217320000000, 0.499608660000000, 0.199695750000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.340638190000000, 0.170319100000000, 0.165600750000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 77 coordinates: [ 0.500391340000000, 0.000782680000000, 0.199695750000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.829680900000000, 0.170319100000000, 0.165600750000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 79 coordinates: [ 0.500305100000000, 0.000610200000000, 0.099947400000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.169630530000000, 0.830369470000000, 0.133910060000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 81 coordinates: [ 0.660738940000000, 0.830369470000000, 0.133910060000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.999389800000000, 0.499694900000000, 0.099947400000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 83 coordinates: [ 0.500305100000000, 0.499694900000000, 0.099947400000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.169630530000000, 0.339261060000000, 0.133910060000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 85 coordinates: [ 0.832620510000000, 0.167379490000000, 0.066975940000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.167260800000000, 0.334521600000000, 0.033632260000000 ] mass: 18.998403 reduced_to: 86 - symbol: F # 87 coordinates: [ 0.665478400000000, 0.832739200000000, 0.033632260000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 88 coordinates: [ 0.334758970000000, 0.167379490000000, 0.066975940000000 ] mass: 18.998403 reduced_to: 88 - symbol: F # 89 coordinates: [ 0.167260800000000, 0.832739200000000, 0.033632260000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.832620510000000, 0.665241030000000, 0.066975940000000 ] mass: 18.998403 reduced_to: 90 - symbol: F # 91 coordinates: [ 0.166462730000000, 0.833537270000000, 0.333713300000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 92 coordinates: [ 0.171394940000000, 0.342789880000000, 0.634414650000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 93 coordinates: [ 0.667074550000000, 0.833537270000000, 0.333713300000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 94 coordinates: [ 0.657210120000000, 0.828605060000000, 0.634414650000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 95 coordinates: [ 0.171394940000000, 0.828605060000000, 0.634414650000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 96 coordinates: [ 0.166462730000000, 0.332925450000000, 0.333713300000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 97 coordinates: [ 0.497508270000000, 0.502491730000000, 0.599230610000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 98 coordinates: [ 0.832539500000000, 0.665079000000000, 0.566404060000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 99 coordinates: [ 0.004983450000000, 0.502491730000000, 0.599230610000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 100 coordinates: [ 0.334921000000000, 0.167460500000000, 0.566404060000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 101 coordinates: [ 0.832539500000000, 0.167460500000000, 0.566404060000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 102 coordinates: [ 0.497508270000000, 0.995016550000000, 0.599230610000000 ] mass: 18.998403 reduced_to: 72 - symbol: F # 103 coordinates: [ 0.167058010000000, 0.832941990000000, 0.533029080000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 104 coordinates: [ 0.496347570000000, 0.992695140000000, 0.498934080000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 105 coordinates: [ 0.665883980000000, 0.832941990000000, 0.533029080000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 106 coordinates: [ 0.007304860000000, 0.503652430000000, 0.498934080000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 107 coordinates: [ 0.167058010000000, 0.334116020000000, 0.533029080000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 108 coordinates: [ 0.496347570000000, 0.503652430000000, 0.498934080000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 109 coordinates: [ 0.166971770000000, 0.333943530000000, 0.433280730000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 110 coordinates: [ 0.836297200000000, 0.163702800000000, 0.467243390000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 111 coordinates: [ 0.327405600000000, 0.163702800000000, 0.467243390000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 112 coordinates: [ 0.666056470000000, 0.833028230000000, 0.433280730000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 113 coordinates: [ 0.166971770000000, 0.833028230000000, 0.433280730000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 114 coordinates: [ 0.836297200000000, 0.672594400000000, 0.467243390000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 115 coordinates: [ 0.499287180000000, 0.500712820000000, 0.400309270000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 116 coordinates: [ 0.833927460000000, 0.667854940000000, 0.366965600000000 ] mass: 18.998403 reduced_to: 86 - symbol: F # 117 coordinates: [ 0.332145060000000, 0.166072540000000, 0.366965600000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 118 coordinates: [ 0.001425630000000, 0.500712820000000, 0.400309270000000 ] mass: 18.998403 reduced_to: 88 - symbol: F # 119 coordinates: [ 0.833927460000000, 0.166072540000000, 0.366965600000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 120 coordinates: [ 0.499287180000000, 0.998574370000000, 0.400309270000000 ] mass: 18.998403 reduced_to: 90 - symbol: F # 121 coordinates: [ 0.833129400000000, 0.166870600000000, 0.667046640000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 122 coordinates: [ 0.838061610000000, 0.676123210000000, 0.967747980000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 123 coordinates: [ 0.333741220000000, 0.166870600000000, 0.667046640000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 124 coordinates: [ 0.323876790000000, 0.161938390000000, 0.967747980000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 125 coordinates: [ 0.838061610000000, 0.161938390000000, 0.967747980000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 126 coordinates: [ 0.833129400000000, 0.666258780000000, 0.667046640000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 127 coordinates: [ 0.164174930000000, 0.835825070000000, 0.932563940000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 128 coordinates: [ 0.499206170000000, 0.998412340000000, 0.899737400000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 129 coordinates: [ 0.671650120000000, 0.835825070000000, 0.932563940000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 130 coordinates: [ 0.001587660000000, 0.500793830000000, 0.899737400000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 131 coordinates: [ 0.499206170000000, 0.500793830000000, 0.899737400000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 132 coordinates: [ 0.164174930000000, 0.328349880000000, 0.932563940000000 ] mass: 18.998403 reduced_to: 72 - symbol: F # 133 coordinates: [ 0.833724670000000, 0.166275330000000, 0.866362420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 134 coordinates: [ 0.163014240000000, 0.326028470000000, 0.832267410000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 135 coordinates: [ 0.332550650000000, 0.166275330000000, 0.866362420000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 136 coordinates: [ 0.673971530000000, 0.836985760000000, 0.832267410000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 137 coordinates: [ 0.833724670000000, 0.667449350000000, 0.866362420000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 138 coordinates: [ 0.163014240000000, 0.836985760000000, 0.832267410000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 139 coordinates: [ 0.833638430000000, 0.667276860000000, 0.766614060000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 140 coordinates: [ 0.502963870000000, 0.497036130000000, 0.800576730000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 141 coordinates: [ 0.994072270000000, 0.497036130000000, 0.800576730000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 142 coordinates: [ 0.332723140000000, 0.166361570000000, 0.766614060000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 143 coordinates: [ 0.833638430000000, 0.166361570000000, 0.766614060000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 144 coordinates: [ 0.502963870000000, 0.005927730000000, 0.800576730000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 145 coordinates: [ 0.165953840000000, 0.834046160000000, 0.733642610000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 146 coordinates: [ 0.500594130000000, 0.001188270000000, 0.700298930000000 ] mass: 18.998403 reduced_to: 86 - symbol: F # 147 coordinates: [ 0.998811730000000, 0.499405870000000, 0.700298930000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 148 coordinates: [ 0.668092300000000, 0.834046160000000, 0.733642610000000 ] mass: 18.998403 reduced_to: 88 - symbol: F # 149 coordinates: [ 0.500594130000000, 0.499405870000000, 0.700298930000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 150 coordinates: [ 0.165953840000000, 0.331907700000000, 0.733642610000000 ] mass: 18.998403 reduced_to: 90supercell: lattice: - [ 5.692042220000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.846021120000000, 4.929453170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 70.032253229999995 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.298021360000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.265881300000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.199028040000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.100470300000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.033780680000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.631354690000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.599214630000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.532361380000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.433803640000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.367114010000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.964688020000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.932547960000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.865694710000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.767136970000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.700447340000000 ] mass: 39.098300 reduced_to: 5 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001226550000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.666666670000000, 0.333333330000000, 0.232937580000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.167960860000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.134303910000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.333333330000000, 0.666666670000000, 0.066932400000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.334559880000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.566270920000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.501294200000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.467637240000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.400265730000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.667893220000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899604250000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.834627530000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.800970570000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.733599070000000 ] mass: 137.327000 reduced_to: 20 - symbol: Li # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250207820000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.182701640000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.151524220000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.083754120000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.016739540000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.583541150000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.516034970000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.484857560000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.417087450000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.350072870000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.916874480000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.849368300000000 ] mass: 6.941000 reduced_to: 32 - symbol: Li # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.818190890000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750420790000000 ] mass: 6.941000 reduced_to: 34 - symbol: Li # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.683406200000000 ] mass: 6.941000 reduced_to: 35 - symbol: Zn # 46 coordinates: [ 0.333333330000000, 0.666666670000000, 0.317080790000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 47 coordinates: [ 0.666666670000000, 0.333333330000000, 0.282317370000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 48 coordinates: [ 0.333333330000000, 0.666666670000000, 0.116367940000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 49 coordinates: [ 0.333333330000000, 0.666666670000000, 0.216643900000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050454160000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.650414120000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 52 coordinates: [ 0.333333330000000, 0.666666670000000, 0.615650700000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.449701270000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 54 coordinates: [ 0.000000000000000, 0.000000000000000, 0.549977240000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 55 coordinates: [ 0.666666670000000, 0.333333330000000, 0.383787500000000 ] mass: 65.380000 reduced_to: 50 - symbol: Zn # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.983747450000000 ] mass: 65.380000 reduced_to: 46 - symbol: Zn # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.948984030000000 ] mass: 65.380000 reduced_to: 47 - symbol: Zn # 58 coordinates: [ 0.666666670000000, 0.333333330000000, 0.783034600000000 ] mass: 65.380000 reduced_to: 48 - symbol: Zn # 59 coordinates: [ 0.666666670000000, 0.333333330000000, 0.883310570000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 60 coordinates: [ 0.333333330000000, 0.666666670000000, 0.717120830000000 ] mass: 65.380000 reduced_to: 50 - symbol: F # 61 coordinates: [ 0.499796060000000, 0.500203940000000, 0.000379970000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.504728280000000, 0.009456540000000, 0.301081310000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 63 coordinates: [ 0.000407880000000, 0.500203940000000, 0.000379970000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.990543460000000, 0.495271720000000, 0.301081310000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 65 coordinates: [ 0.504728280000000, 0.495271720000000, 0.301081310000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.499796060000000, 0.999592120000000, 0.000379970000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 67 coordinates: [ 0.830841600000000, 0.169158400000000, 0.265897270000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.165872840000000, 0.331745670000000, 0.233070730000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 69 coordinates: [ 0.338316790000000, 0.169158400000000, 0.265897270000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.668254330000000, 0.834127160000000, 0.233070730000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 71 coordinates: [ 0.165872840000000, 0.834127160000000, 0.233070730000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.830841600000000, 0.661683210000000, 0.265897270000000 ] mass: 18.998403 reduced_to: 72 - symbol: F # 73 coordinates: [ 0.500391340000000, 0.499608660000000, 0.199695750000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.829680900000000, 0.659361810000000, 0.165600750000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 75 coordinates: [ 0.999217320000000, 0.499608660000000, 0.199695750000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.340638190000000, 0.170319100000000, 0.165600750000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 77 coordinates: [ 0.500391340000000, 0.000782680000000, 0.199695750000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.829680900000000, 0.170319100000000, 0.165600750000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 79 coordinates: [ 0.500305100000000, 0.000610200000000, 0.099947400000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.169630530000000, 0.830369470000000, 0.133910060000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 81 coordinates: [ 0.660738940000000, 0.830369470000000, 0.133910060000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.999389800000000, 0.499694900000000, 0.099947400000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 83 coordinates: [ 0.500305100000000, 0.499694900000000, 0.099947400000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.169630530000000, 0.339261060000000, 0.133910060000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 85 coordinates: [ 0.832620510000000, 0.167379490000000, 0.066975940000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.167260800000000, 0.334521600000000, 0.033632260000000 ] mass: 18.998403 reduced_to: 86 - symbol: F # 87 coordinates: [ 0.665478400000000, 0.832739200000000, 0.033632260000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 88 coordinates: [ 0.334758970000000, 0.167379490000000, 0.066975940000000 ] mass: 18.998403 reduced_to: 88 - symbol: F # 89 coordinates: [ 0.167260800000000, 0.832739200000000, 0.033632260000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.832620510000000, 0.665241030000000, 0.066975940000000 ] mass: 18.998403 reduced_to: 90 - symbol: F # 91 coordinates: [ 0.166462730000000, 0.833537270000000, 0.333713300000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 92 coordinates: [ 0.171394940000000, 0.342789880000000, 0.634414650000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 93 coordinates: [ 0.667074550000000, 0.833537270000000, 0.333713300000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 94 coordinates: [ 0.657210120000000, 0.828605060000000, 0.634414650000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 95 coordinates: [ 0.171394940000000, 0.828605060000000, 0.634414650000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 96 coordinates: [ 0.166462730000000, 0.332925450000000, 0.333713300000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 97 coordinates: [ 0.497508270000000, 0.502491730000000, 0.599230610000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 98 coordinates: [ 0.832539500000000, 0.665079000000000, 0.566404060000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 99 coordinates: [ 0.004983450000000, 0.502491730000000, 0.599230610000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 100 coordinates: [ 0.334921000000000, 0.167460500000000, 0.566404060000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 101 coordinates: [ 0.832539500000000, 0.167460500000000, 0.566404060000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 102 coordinates: [ 0.497508270000000, 0.995016550000000, 0.599230610000000 ] mass: 18.998403 reduced_to: 72 - symbol: F # 103 coordinates: [ 0.167058010000000, 0.832941990000000, 0.533029080000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 104 coordinates: [ 0.496347570000000, 0.992695140000000, 0.498934080000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 105 coordinates: [ 0.665883980000000, 0.832941990000000, 0.533029080000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 106 coordinates: [ 0.007304860000000, 0.503652430000000, 0.498934080000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 107 coordinates: [ 0.167058010000000, 0.334116020000000, 0.533029080000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 108 coordinates: [ 0.496347570000000, 0.503652430000000, 0.498934080000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 109 coordinates: [ 0.166971770000000, 0.333943530000000, 0.433280730000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 110 coordinates: [ 0.836297200000000, 0.163702800000000, 0.467243390000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 111 coordinates: [ 0.327405600000000, 0.163702800000000, 0.467243390000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 112 coordinates: [ 0.666056470000000, 0.833028230000000, 0.433280730000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 113 coordinates: [ 0.166971770000000, 0.833028230000000, 0.433280730000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 114 coordinates: [ 0.836297200000000, 0.672594400000000, 0.467243390000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 115 coordinates: [ 0.499287180000000, 0.500712820000000, 0.400309270000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 116 coordinates: [ 0.833927460000000, 0.667854940000000, 0.366965600000000 ] mass: 18.998403 reduced_to: 86 - symbol: F # 117 coordinates: [ 0.332145060000000, 0.166072540000000, 0.366965600000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 118 coordinates: [ 0.001425630000000, 0.500712820000000, 0.400309270000000 ] mass: 18.998403 reduced_to: 88 - symbol: F # 119 coordinates: [ 0.833927460000000, 0.166072540000000, 0.366965600000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 120 coordinates: [ 0.499287180000000, 0.998574370000000, 0.400309270000000 ] mass: 18.998403 reduced_to: 90 - symbol: F # 121 coordinates: [ 0.833129400000000, 0.166870600000000, 0.667046640000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 122 coordinates: [ 0.838061610000000, 0.676123210000000, 0.967747980000000 ] mass: 18.998403 reduced_to: 62 - symbol: F # 123 coordinates: [ 0.333741220000000, 0.166870600000000, 0.667046640000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 124 coordinates: [ 0.323876790000000, 0.161938390000000, 0.967747980000000 ] mass: 18.998403 reduced_to: 64 - symbol: F # 125 coordinates: [ 0.838061610000000, 0.161938390000000, 0.967747980000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 126 coordinates: [ 0.833129400000000, 0.666258780000000, 0.667046640000000 ] mass: 18.998403 reduced_to: 66 - symbol: F # 127 coordinates: [ 0.164174930000000, 0.835825070000000, 0.932563940000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 128 coordinates: [ 0.499206170000000, 0.998412340000000, 0.899737400000000 ] mass: 18.998403 reduced_to: 68 - symbol: F # 129 coordinates: [ 0.671650120000000, 0.835825070000000, 0.932563940000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 130 coordinates: [ 0.001587660000000, 0.500793830000000, 0.899737400000000 ] mass: 18.998403 reduced_to: 70 - symbol: F # 131 coordinates: [ 0.499206170000000, 0.500793830000000, 0.899737400000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 132 coordinates: [ 0.164174930000000, 0.328349880000000, 0.932563940000000 ] mass: 18.998403 reduced_to: 72 - symbol: F # 133 coordinates: [ 0.833724670000000, 0.166275330000000, 0.866362420000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 134 coordinates: [ 0.163014240000000, 0.326028470000000, 0.832267410000000 ] mass: 18.998403 reduced_to: 74 - symbol: F # 135 coordinates: [ 0.332550650000000, 0.166275330000000, 0.866362420000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 136 coordinates: [ 0.673971530000000, 0.836985760000000, 0.832267410000000 ] mass: 18.998403 reduced_to: 76 - symbol: F # 137 coordinates: [ 0.833724670000000, 0.667449350000000, 0.866362420000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 138 coordinates: [ 0.163014240000000, 0.836985760000000, 0.832267410000000 ] mass: 18.998403 reduced_to: 78 - symbol: F # 139 coordinates: [ 0.833638430000000, 0.667276860000000, 0.766614060000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 140 coordinates: [ 0.502963870000000, 0.497036130000000, 0.800576730000000 ] mass: 18.998403 reduced_to: 80 - symbol: F # 141 coordinates: [ 0.994072270000000, 0.497036130000000, 0.800576730000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 142 coordinates: [ 0.332723140000000, 0.166361570000000, 0.766614060000000 ] mass: 18.998403 reduced_to: 82 - symbol: F # 143 coordinates: [ 0.833638430000000, 0.166361570000000, 0.766614060000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 144 coordinates: [ 0.502963870000000, 0.005927730000000, 0.800576730000000 ] mass: 18.998403 reduced_to: 84 - symbol: F # 145 coordinates: [ 0.165953840000000, 0.834046160000000, 0.733642610000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 146 coordinates: [ 0.500594130000000, 0.001188270000000, 0.700298930000000 ] mass: 18.998403 reduced_to: 86 - symbol: F # 147 coordinates: [ 0.998811730000000, 0.499405870000000, 0.700298930000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 148 coordinates: [ 0.668092300000000, 0.834046160000000, 0.733642610000000 ] mass: 18.998403 reduced_to: 88 - symbol: F # 149 coordinates: [ 0.500594130000000, 0.499405870000000, 0.700298930000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 150 coordinates: [ 0.165953840000000, 0.331907700000000, 0.733642610000000 ] mass: 18.998403 reduced_to: 90displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0252520700000000, -0.0000462200000000, 0.0001250900000000 ] - [ 0.0018585500000000, -0.0000131400000000, -0.0000855600000000 ] - [ -0.0000119200000000, 0.0000000100000000, -0.0001454000000000 ] - [ -0.0000000800000000, 0.0000000700000000, 0.0000702100000000 ] - [ 0.0000003100000000, 0.0000000300000000, 0.0001375000000000 ] - [ 0.0000002700000000, -0.0000000300000000, 0.0001210800000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0000706600000000 ] - [ -0.0000002000000000, 0.0000000700000000, -0.0001485600000000 ] - [ 0.0000005400000000, 0.0000000800000000, 0.0000685000000000 ] - [ 0.0001781200000000, -0.0000005100000000, 0.0001386300000000 ] - [ 0.0000005100000000, -0.0000001500000000, 0.0001215000000000 ] - [ -0.0000005800000000, 0.0000002300000000, -0.0000694900000000 ] - [ 0.0000002200000000, -0.0000000500000000, -0.0001458100000000 ] - [ 0.0000003200000000, -0.0000000400000000, 0.0000692000000000 ] - [ -0.0000004900000000, 0.0000000200000000, 0.0001402800000000 ] - [ 0.0000003100000000, -0.0000001100000000, 0.0001148300000000 ] - [ 0.0006137300000000, 0.0000015500000000, -0.0000516900000000 ] - [ 0.0000057000000000, -0.0000002000000000, 0.0000129100000000 ] - [ -0.0000005100000000, 0.0000000500000000, 0.0000589900000000 ] - [ 0.0000002800000000, -0.0000001400000000, -0.0002192000000000 ] - [ 0.0023646500000000, 0.0000194200000000, 0.0001337900000000 ] - [ 0.0000003500000000, -0.0000001800000000, -0.0000578900000000 ] - [ -0.0000001300000000, -0.0000000900000000, 0.0000058100000000 ] - [ 0.0000000900000000, -0.0000001900000000, 0.0000564700000000 ] - [ -0.0000182900000000, 0.0000000200000000, -0.0002193800000000 ] - [ 0.0000002600000000, -0.0000001800000000, 0.0001165300000000 ] - [ 0.0000000100000000, -0.0000000400000000, -0.0000517800000000 ] - [ -0.0000002200000000, 0.0000000000000000, 0.0000105600000000 ] - [ 0.0000001900000000, -0.0000001500000000, 0.0000610700000000 ] - [ -0.0000000400000000, 0.0000000700000000, -0.0002220800000000 ] - [ -0.0013540100000000, -0.0000023300000000, -0.0000001300000000 ] - [ -0.0000084700000000, 0.0000004200000000, -0.0002152000000000 ] - [ 0.0000032800000000, -0.0000015000000000, 0.0000529800000000 ] - [ 0.0000000200000000, 0.0000000900000000, -0.0002131600000000 ] - [ -0.0000004800000000, 0.0000001500000000, -0.0000334700000000 ] - [ 0.0000004900000000, -0.0000002700000000, -0.0000075500000000 ] - [ -0.0000005800000000, 0.0000002500000000, -0.0002166900000000 ] - [ 0.0000026800000000, -0.0000014400000000, 0.0000499300000000 ] - [ -0.0000027400000000, -0.0000000800000000, -0.0002135800000000 ] - [ -0.0008176000000000, 0.0000018000000000, -0.0000369200000000 ] - [ 0.0000007500000000, -0.0000004100000000, -0.0000057000000000 ] - [ -0.0000006800000000, 0.0000002900000000, -0.0002146600000000 ] - [ 0.0000030600000000, -0.0000016400000000, 0.0000514400000000 ] - [ 0.0000001700000000, 0.0000000000000000, -0.0002157800000000 ] - [ -0.0000007500000000, 0.0000003200000000, -0.0000304600000000 ] - [ 0.0062231000000000, -0.0000578300000000, 0.0004982800000000 ] - [ 0.0080883600000000, 0.0000707800000000, -0.0005093500000000 ] - [ 0.0000003400000000, -0.0000002400000000, 0.0003431800000000 ] - [ 0.0001170000000000, 0.0000001400000000, -0.0006568900000000 ] - [ -0.0000003300000000, 0.0000000700000000, 0.0003518000000000 ] - [ -0.0000002500000000, 0.0000003700000000, 0.0004738900000000 ] - [ 0.0000010100000000, -0.0000006600000000, -0.0004556600000000 ] - [ 0.0000005100000000, -0.0000001000000000, 0.0003421800000000 ] - [ -0.0000007600000000, 0.0000002900000000, -0.0006682400000000 ] - [ 0.0000607200000000, 0.0000001600000000, 0.0003482600000000 ] - [ -0.0000007600000000, 0.0000006500000000, 0.0004742600000000 ] - [ 0.0000005200000000, -0.0000003400000000, -0.0004554000000000 ] - [ -0.0000001500000000, 0.0000001900000000, 0.0003491000000000 ] - [ -0.0000012100000000, 0.0000006100000000, -0.0006563700000000 ] - [ -0.0000002800000000, -0.0000000100000000, 0.0003525700000000 ] - [ -0.0001855800000000, 0.0001070800000000, 0.0001475600000000 ] - [ 0.0022012800000000, 0.0000553700000000, -0.0000272600000000 ] - [ 0.0001878600000000, 0.0001073500000000, 0.0001495800000000 ] - [ 0.0016652300000000, -0.0003051400000000, 0.0001289900000000 ] - [ 0.0017610900000000, 0.0002555700000000, -0.0002038400000000 ] - [ 0.0000009800000000, -0.0002161500000000, 0.0001496700000000 ] - [ 0.0002614100000000, 0.0003352400000000, 0.0007700700000000 ] - [ 0.0002101200000000, 0.0001249100000000, -0.0002233500000000 ] - [ 0.0005756900000000, -0.0001575500000000, -0.0007281700000000 ] - [ -0.0001370000000000, -0.0002001600000000, -0.0003998500000000 ] - [ 0.0000815700000000, 0.0000744300000000, -0.0000510200000000 ] - [ 0.0008454300000000, -0.0001542400000000, 0.0000515700000000 ] - [ -0.0001183000000000, 0.0000616700000000, -0.0001759900000000 ] - [ 0.0000017500000000, 0.0000583000000000, -0.0000895400000000 ] - [ 0.0000981200000000, 0.0000639500000000, -0.0000978300000000 ] - [ -0.0000502600000000, -0.0000301300000000, -0.0000909400000000 ] - [ -0.0000121000000000, -0.0001244500000000, -0.0001380500000000 ] - [ 0.0000465400000000, -0.0000258800000000, -0.0000856800000000 ] - [ -0.0000007200000000, -0.0000085100000000, 0.0001886300000000 ] - [ -0.0000417400000000, 0.0000245200000000, -0.0000654300000000 ] - [ 0.0000453000000000, 0.0000264600000000, -0.0000628600000000 ] - [ 0.0000066900000000, 0.0000047800000000, 0.0001888100000000 ] - [ -0.0000091000000000, 0.0000053400000000, 0.0001910800000000 ] - [ 0.0000001100000000, -0.0000523200000000, -0.0000636300000000 ] - [ 0.0000985400000000, -0.0000569800000000, 0.0001134300000000 ] - [ -0.0000002800000000, -0.0001395500000000, 0.0001732800000000 ] - [ 0.0001207400000000, 0.0000703400000000, 0.0001734500000000 ] - [ -0.0000952300000000, -0.0000556500000000, 0.0001159200000000 ] - [ -0.0001219300000000, 0.0000705000000000, 0.0001753200000000 ] - [ 0.0000005000000000, 0.0001112700000000, 0.0001158900000000 ] - [ -0.0003511100000000, 0.0006435900000000, -0.0002531200000000 ] - [ -0.0000008300000000, 0.0000545500000000, -0.0000472400000000 ] - [ -0.0000054200000000, -0.0004352600000000, 0.0005709100000000 ] - [ -0.0000476100000000, -0.0000267300000000, -0.0000480400000000 ] - [ 0.0000483900000000, -0.0000279200000000, -0.0000468900000000 ] - [ 0.0007561300000000, -0.0002119800000000, 0.0001544600000000 ] - [ -0.0001294100000000, 0.0000747500000000, 0.0000467200000000 ] - [ 0.0000004500000000, 0.0001225600000000, -0.0002207800000000 ] - [ 0.0001265700000000, 0.0000732000000000, 0.0000443600000000 ] - [ -0.0001058400000000, -0.0000616300000000, -0.0002213800000000 ] - [ 0.0001080600000000, -0.0000624100000000, -0.0002230400000000 ] - [ -0.0000000800000000, -0.0001463100000000, 0.0000452600000000 ] - [ -0.0001100700000000, 0.0000635500000000, -0.0001312900000000 ] - [ 0.0000000200000000, 0.0000581900000000, -0.0000866900000000 ] - [ 0.0001087900000000, 0.0000635500000000, -0.0001326100000000 ] - [ -0.0000503700000000, -0.0000291800000000, -0.0000865200000000 ] - [ -0.0000006700000000, -0.0001259500000000, -0.0001329200000000 ] - [ 0.0000461500000000, -0.0000266200000000, -0.0000844300000000 ] - [ -0.0000002300000000, -0.0000082100000000, 0.0001894500000000 ] - [ -0.0000420400000000, 0.0000242100000000, -0.0000639500000000 ] - [ 0.0000455000000000, 0.0000265400000000, -0.0000616500000000 ] - [ 0.0000064800000000, 0.0000044200000000, 0.0001883400000000 ] - [ -0.0000087900000000, 0.0000054600000000, 0.0001932200000000 ] - [ -0.0000002700000000, -0.0000526000000000, -0.0000623000000000 ] - [ 0.0000978700000000, -0.0000611100000000, 0.0001025100000000 ] - [ 0.0001576600000000, -0.0001397000000000, 0.0001683500000000 ] - [ 0.0001028100000000, -0.0000316600000000, 0.0000622100000000 ] - [ -0.0000923500000000, -0.0000493800000000, 0.0001315800000000 ] - [ -0.0001399900000000, 0.0001718600000000, 0.0002786800000000 ] - [ -0.0000073900000000, 0.0001087000000000, 0.0001186600000000 ] - [ -0.0001858100000000, 0.0001072200000000, 0.0001467300000000 ] - [ -0.0000008900000000, 0.0000543500000000, -0.0000468800000000 ] - [ 0.0001876200000000, 0.0001073100000000, 0.0001483400000000 ] - [ -0.0000474500000000, -0.0000265800000000, -0.0000476200000000 ] - [ 0.0000482300000000, -0.0000278400000000, -0.0000464200000000 ] - [ 0.0000008900000000, -0.0002159400000000, 0.0001484300000000 ] - [ -0.0001288800000000, 0.0000744500000000, 0.0000458400000000 ] - [ 0.0000004100000000, 0.0001252300000000, -0.0002260500000000 ] - [ 0.0001263900000000, 0.0000730500000000, 0.0000437500000000 ] - [ -0.0001081400000000, -0.0000629200000000, -0.0002266200000000 ] - [ 0.0001105600000000, -0.0000638600000000, -0.0002284300000000 ] - [ -0.0000000500000000, -0.0001460800000000, 0.0000446200000000 ] - [ -0.0001088100000000, 0.0000628200000000, -0.0001363500000000 ] - [ -0.0000000600000000, 0.0000574000000000, -0.0000867500000000 ] - [ 0.0001077900000000, 0.0000628700000000, -0.0001375500000000 ] - [ -0.0000497300000000, -0.0000287100000000, -0.0000865700000000 ] - [ -0.0000005900000000, -0.0001247500000000, -0.0001378400000000 ] - [ 0.0000454000000000, -0.0000261900000000, -0.0000844400000000 ] - [ -0.0000007300000000, -0.0000089500000000, 0.0001912600000000 ] - [ -0.0000399200000000, 0.0000230300000000, -0.0000688200000000 ] - [ 0.0000434500000000, 0.0000253400000000, -0.0000666000000000 ] - [ 0.0000070700000000, 0.0000050100000000, 0.0001914600000000 ] - [ -0.0000092500000000, 0.0000054000000000, 0.0001934900000000 ] - [ -0.0000002300000000, -0.0000501600000000, -0.0000672300000000 ] - [ 0.0000986100000000, -0.0000570200000000, 0.0001131100000000 ] - [ -0.0000003700000000, -0.0001397000000000, 0.0001715000000000 ] - [ 0.0001205900000000, 0.0000701700000000, 0.0001719400000000 ] - [ -0.0000959300000000, -0.0000560600000000, 0.0001150700000000 ] - [ -0.0001222900000000, 0.0000707200000000, 0.0001732400000000 ] - [ 0.0000005100000000, 0.0001113400000000, 0.0001155900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0249374900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021533900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006121500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006763200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003887400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003919000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006117400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006785100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012174600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027430600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011560100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012148800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009833000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013329600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012196900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038284000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004777900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004997200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004746400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025153900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005012800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002987700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002980500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108344100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0165261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013052100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006416200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002691300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013992000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006419400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012838000000000 ] - [ -0.0000991700000000, 0.0000572500000000, -0.0003192100000000 ] - [ 0.0000000000000000, -0.0019034600000000, 0.0090364900000000 ] - [ 0.0000991700000000, 0.0000572500000000, -0.0003192100000000 ] - [ 0.0016484500000000, 0.0009517300000000, 0.0090364900000000 ] - [ -0.0016484500000000, 0.0009517300000000, 0.0090364900000000 ] - [ 0.0000000000000000, -0.0001145100000000, -0.0003192100000000 ] - [ -0.0007162600000000, 0.0004135300000000, 0.0056854300000000 ] - [ 0.0000000000000000, 0.0003596800000000, -0.0006477000000000 ] - [ 0.0007162600000000, 0.0004135300000000, 0.0056854300000000 ] - [ -0.0003114900000000, -0.0001798400000000, -0.0006477000000000 ] - [ 0.0003114900000000, -0.0001798400000000, -0.0006477000000000 ] - [ 0.0000000000000000, -0.0008270600000000, 0.0056854300000000 ] - [ -0.0001208800000000, 0.0000697900000000, -0.0007458400000000 ] - [ 0.0000000000000000, 0.0000272500000000, -0.0005962900000000 ] - [ 0.0001208800000000, 0.0000697900000000, -0.0007458400000000 ] - [ -0.0000236000000000, -0.0000136300000000, -0.0005962900000000 ] - [ 0.0000000000000000, -0.0001395800000000, -0.0007458400000000 ] - [ 0.0000236000000000, -0.0000136300000000, -0.0005962900000000 ] - [ 0.0000000000000000, 0.0000040100000000, -0.0004017600000000 ] - [ -0.0000056000000000, 0.0000032300000000, -0.0005617900000000 ] - [ 0.0000056000000000, 0.0000032300000000, -0.0005617900000000 ] - [ -0.0000034700000000, -0.0000020000000000, -0.0004017600000000 ] - [ 0.0000034700000000, -0.0000020000000000, -0.0004017600000000 ] - [ 0.0000000000000000, -0.0000064700000000, -0.0005617900000000 ] - [ 0.0001747600000000, -0.0001009000000000, -0.0003530700000000 ] - [ 0.0000000000000000, -0.0001422300000000, -0.0004245300000000 ] - [ 0.0001231700000000, 0.0000711100000000, -0.0004245300000000 ] - [ -0.0001747600000000, -0.0001009000000000, -0.0003530700000000 ] - [ -0.0001231700000000, 0.0000711100000000, -0.0004245300000000 ] - [ 0.0000000000000000, 0.0002018000000000, -0.0003530700000000 ] - [ -0.0019081900000000, 0.0011016900000000, 0.0024624900000000 ] - [ 0.0000000000000000, 0.0001675900000000, -0.0006076700000000 ] - [ 0.0019081900000000, 0.0011016900000000, 0.0024624900000000 ] - [ -0.0001451400000000, -0.0000837900000000, -0.0006076700000000 ] - [ 0.0001451400000000, -0.0000837900000000, -0.0006076700000000 ] - [ 0.0000000000000000, -0.0022033900000000, 0.0024624900000000 ] - [ -0.0000823800000000, 0.0000475600000000, -0.0005309500000000 ] - [ 0.0000000000000000, 0.0002115700000000, -0.0006911000000000 ] - [ 0.0000823800000000, 0.0000475600000000, -0.0005309500000000 ] - [ -0.0001832300000000, -0.0001057900000000, -0.0006911000000000 ] - [ 0.0001832300000000, -0.0001057900000000, -0.0006911000000000 ] - [ 0.0000000000000000, -0.0000951300000000, -0.0005309500000000 ] - [ -0.0001158300000000, 0.0000668700000000, -0.0007369400000000 ] - [ 0.0000000000000000, 0.0000268100000000, -0.0005940100000000 ] - [ 0.0001158300000000, 0.0000668700000000, -0.0007369400000000 ] - [ -0.0000232200000000, -0.0000134000000000, -0.0005940100000000 ] - [ 0.0000000000000000, -0.0001337500000000, -0.0007369400000000 ] - [ 0.0000232200000000, -0.0000134000000000, -0.0005940100000000 ] - [ 0.0000000000000000, 0.0000058100000000, -0.0004004400000000 ] - [ -0.0000060700000000, 0.0000035000000000, -0.0005609600000000 ] - [ 0.0000060700000000, 0.0000035000000000, -0.0005609600000000 ] - [ -0.0000050300000000, -0.0000029100000000, -0.0004004400000000 ] - [ 0.0000050300000000, -0.0000029100000000, -0.0004004400000000 ] - [ 0.0000000000000000, -0.0000070100000000, -0.0005609600000000 ] - [ 0.0001635200000000, -0.0000944100000000, -0.0003579700000000 ] - [ 0.0000000000000000, 0.0000978500000000, -0.0003105400000000 ] - [ -0.0000847400000000, -0.0000489300000000, -0.0003105400000000 ] - [ -0.0001635200000000, -0.0000944100000000, -0.0003579700000000 ] - [ 0.0000847400000000, -0.0000489300000000, -0.0003105400000000 ] - [ 0.0000000000000000, 0.0001888100000000, -0.0003579700000000 ] - [ -0.0000987700000000, 0.0000570300000000, -0.0003198400000000 ] - [ 0.0000000000000000, 0.0001697600000000, -0.0006098500000000 ] - [ 0.0000987700000000, 0.0000570300000000, -0.0003198400000000 ] - [ -0.0001470200000000, -0.0000848800000000, -0.0006098500000000 ] - [ 0.0001470200000000, -0.0000848800000000, -0.0006098500000000 ] - [ 0.0000000000000000, -0.0001140500000000, -0.0003198400000000 ] - [ -0.0000818200000000, 0.0000472400000000, -0.0005313500000000 ] - [ 0.0000000000000000, 0.0002137700000000, -0.0006954100000000 ] - [ 0.0000818200000000, 0.0000472400000000, -0.0005313500000000 ] - [ -0.0001851300000000, -0.0001068800000000, -0.0006954100000000 ] - [ 0.0001851300000000, -0.0001068800000000, -0.0006954100000000 ] - [ 0.0000000000000000, -0.0000944800000000, -0.0005313500000000 ] - [ -0.0001140500000000, 0.0000658500000000, -0.0007423600000000 ] - [ 0.0000000000000000, 0.0000258100000000, -0.0005940300000000 ] - [ 0.0001140500000000, 0.0000658500000000, -0.0007423600000000 ] - [ -0.0000223500000000, -0.0000129000000000, -0.0005940300000000 ] - [ 0.0000000000000000, -0.0001317000000000, -0.0007423600000000 ] - [ 0.0000223500000000, -0.0000129000000000, -0.0005940300000000 ] - [ 0.0000000000000000, 0.0000032700000000, -0.0003995200000000 ] - [ -0.0000035500000000, 0.0000020500000000, -0.0005662600000000 ] - [ 0.0000035500000000, 0.0000020500000000, -0.0005662600000000 ] - [ -0.0000028300000000, -0.0000016300000000, -0.0003995200000000 ] - [ 0.0000028300000000, -0.0000016300000000, -0.0003995200000000 ] - [ 0.0000000000000000, -0.0000041000000000, -0.0005662600000000 ] - [ 0.0001755900000000, -0.0001013800000000, -0.0003544600000000 ] - [ 0.0000000000000000, -0.0001427000000000, -0.0004265500000000 ] - [ 0.0001235800000000, 0.0000713500000000, -0.0004265500000000 ] - [ -0.0001755900000000, -0.0001013800000000, -0.0003544600000000 ] - [ -0.0001235800000000, 0.0000713500000000, -0.0004265500000000 ] - [ 0.0000000000000000, 0.0002027600000000, -0.0003544600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0254854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020275200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004016400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006246300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006854300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004760700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006239900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006826900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003983500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011041200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012674100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012048200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011062700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007292100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005123000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007353000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005105100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0116680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0156912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015150700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004528200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015527700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016040900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004855300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006197000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005787800000000 ] - [ -0.0002713500000000, 0.0001566600000000, 0.0006160400000000 ] - [ 0.0000000000000000, 0.0020080500000000, -0.0091181700000000 ] - [ 0.0002713500000000, 0.0001566600000000, 0.0006160400000000 ] - [ -0.0017390200000000, -0.0010040300000000, -0.0091181700000000 ] - [ 0.0017390200000000, -0.0010040300000000, -0.0091181700000000 ] - [ 0.0000000000000000, -0.0003133200000000, 0.0006160400000000 ] - [ 0.0003495300000000, -0.0002018000000000, -0.0057794300000000 ] - [ 0.0000000000000000, -0.0001125100000000, 0.0001995800000000 ] - [ -0.0003495300000000, -0.0002018000000000, -0.0057794300000000 ] - [ 0.0000974400000000, 0.0000562600000000, 0.0001995800000000 ] - [ -0.0000974400000000, 0.0000562600000000, 0.0001995800000000 ] - [ 0.0000000000000000, 0.0004036000000000, -0.0057794300000000 ] - [ -0.0000956400000000, 0.0000552200000000, 0.0004698100000000 ] - [ 0.0000000000000000, 0.0000880200000000, 0.0004181400000000 ] - [ 0.0000956400000000, 0.0000552200000000, 0.0004698100000000 ] - [ -0.0000762300000000, -0.0000440100000000, 0.0004181400000000 ] - [ 0.0000000000000000, -0.0001104400000000, 0.0004698100000000 ] - [ 0.0000762300000000, -0.0000440100000000, 0.0004181400000000 ] - [ 0.0000000000000000, -0.0000210500000000, 0.0007832100000000 ] - [ -0.0000849200000000, 0.0000490300000000, 0.0004362100000000 ] - [ 0.0000849200000000, 0.0000490300000000, 0.0004362100000000 ] - [ 0.0000182300000000, 0.0000105200000000, 0.0007832100000000 ] - [ -0.0000182300000000, 0.0000105200000000, 0.0007832100000000 ] - [ 0.0000000000000000, -0.0000980600000000, 0.0004362100000000 ] - [ 0.0000187700000000, -0.0000108400000000, 0.0005849400000000 ] - [ 0.0000000000000000, -0.0001379200000000, 0.0007730500000000 ] - [ 0.0001194400000000, 0.0000689600000000, 0.0007730500000000 ] - [ -0.0000187700000000, -0.0000108400000000, 0.0005849400000000 ] - [ -0.0001194400000000, 0.0000689600000000, 0.0007730500000000 ] - [ 0.0000000000000000, 0.0000216700000000, 0.0005849400000000 ] - [ 0.0015651100000000, -0.0009036200000000, -0.0020648200000000 ] - [ 0.0000000000000000, -0.0000587200000000, 0.0005152300000000 ] - [ -0.0015651100000000, -0.0009036200000000, -0.0020648200000000 ] - [ 0.0000508500000000, 0.0000293600000000, 0.0005152300000000 ] - [ -0.0000508500000000, 0.0000293600000000, 0.0005152300000000 ] - [ 0.0000000000000000, 0.0018072400000000, -0.0020648200000000 ] - [ -0.0001756900000000, 0.0001014400000000, 0.0006232100000000 ] - [ 0.0000000000000000, 0.0000332400000000, 0.0002490100000000 ] - [ 0.0001756900000000, 0.0001014400000000, 0.0006232100000000 ] - [ -0.0000287900000000, -0.0000166200000000, 0.0002490100000000 ] - [ 0.0000287900000000, -0.0000166200000000, 0.0002490100000000 ] - [ 0.0000000000000000, -0.0002028700000000, 0.0006232100000000 ] - [ -0.0001022600000000, 0.0000590400000000, 0.0004691700000000 ] - [ 0.0000000000000000, 0.0000882100000000, 0.0004209100000000 ] - [ 0.0001022600000000, 0.0000590400000000, 0.0004691700000000 ] - [ -0.0000763900000000, -0.0000441100000000, 0.0004209100000000 ] - [ 0.0000000000000000, -0.0001180900000000, 0.0004691700000000 ] - [ 0.0000763900000000, -0.0000441100000000, 0.0004209100000000 ] - [ 0.0000000000000000, -0.0000221200000000, 0.0007831000000000 ] - [ -0.0000857700000000, 0.0000495200000000, 0.0004386500000000 ] - [ 0.0000857700000000, 0.0000495200000000, 0.0004386500000000 ] - [ 0.0000191600000000, 0.0000110600000000, 0.0007831000000000 ] - [ -0.0000191600000000, 0.0000110600000000, 0.0007831000000000 ] - [ 0.0000000000000000, -0.0000990400000000, 0.0004386500000000 ] - [ 0.0000254900000000, -0.0000147200000000, 0.0005950100000000 ] - [ 0.0000000000000000, -0.0003732600000000, 0.0006511400000000 ] - [ 0.0003232500000000, 0.0001866300000000, 0.0006511400000000 ] - [ -0.0000254900000000, -0.0000147200000000, 0.0005950100000000 ] - [ -0.0003232500000000, 0.0001866300000000, 0.0006511400000000 ] - [ 0.0000000000000000, 0.0000294400000000, 0.0005950100000000 ] - [ -0.0002709200000000, 0.0001564200000000, 0.0006147600000000 ] - [ 0.0000000000000000, -0.0000579000000000, 0.0005146200000000 ] - [ 0.0002709200000000, 0.0001564200000000, 0.0006147600000000 ] - [ 0.0000501400000000, 0.0000289500000000, 0.0005146200000000 ] - [ -0.0000501400000000, 0.0000289500000000, 0.0005146200000000 ] - [ 0.0000000000000000, -0.0003128400000000, 0.0006147600000000 ] - [ -0.0001770500000000, 0.0001022200000000, 0.0006246500000000 ] - [ 0.0000000000000000, 0.0000361600000000, 0.0002439800000000 ] - [ 0.0001770500000000, 0.0001022200000000, 0.0006246500000000 ] - [ -0.0000313100000000, -0.0000180800000000, 0.0002439800000000 ] - [ 0.0000313100000000, -0.0000180800000000, 0.0002439800000000 ] - [ 0.0000000000000000, -0.0002044400000000, 0.0006246500000000 ] - [ -0.0001016200000000, 0.0000586700000000, 0.0004644400000000 ] - [ 0.0000000000000000, 0.0000870600000000, 0.0004211500000000 ] - [ 0.0001016200000000, 0.0000586700000000, 0.0004644400000000 ] - [ -0.0000753900000000, -0.0000435300000000, 0.0004211500000000 ] - [ 0.0000000000000000, -0.0001173400000000, 0.0004644400000000 ] - [ 0.0000753900000000, -0.0000435300000000, 0.0004211500000000 ] - [ 0.0000000000000000, -0.0000211500000000, 0.0007853600000000 ] - [ -0.0000835000000000, 0.0000482100000000, 0.0004329200000000 ] - [ 0.0000835000000000, 0.0000482100000000, 0.0004329200000000 ] - [ 0.0000183100000000, 0.0000105700000000, 0.0007853600000000 ] - [ -0.0000183100000000, 0.0000105700000000, 0.0007853600000000 ] - [ 0.0000000000000000, -0.0000964200000000, 0.0004329200000000 ] - [ 0.0000186400000000, -0.0000107600000000, 0.0005848100000000 ] - [ 0.0000000000000000, -0.0001370100000000, 0.0007712500000000 ] - [ 0.0001186600000000, 0.0000685100000000, 0.0007712500000000 ] - [ -0.0000186400000000, -0.0000107600000000, 0.0005848100000000 ] - [ -0.0001186600000000, 0.0000685100000000, 0.0007712500000000 ] - [ 0.0000000000000000, 0.0000215200000000, 0.0005848100000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018591800000000, 0.0000144300000000, 0.0001295500000000 ] - [ -0.0226837100000000, 0.0000238400000000, -0.0000482100000000 ] - [ 0.0002235900000000, 0.0000006200000000, -0.0001447400000000 ] - [ -0.0000003000000000, 0.0000000600000000, 0.0000698200000000 ] - [ -0.0000001800000000, 0.0000000400000000, 0.0001379000000000 ] - [ 0.0000000700000000, 0.0000000000000000, 0.0001207600000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0000715200000000 ] - [ 0.0000002500000000, 0.0000000600000000, -0.0001486800000000 ] - [ -0.0000003200000000, 0.0000000900000000, 0.0000682100000000 ] - [ -0.0000111200000000, -0.0000000200000000, 0.0001393300000000 ] - [ 0.0000004900000000, -0.0000001400000000, 0.0001209600000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0000705200000000 ] - [ -0.0000004500000000, -0.0000000600000000, -0.0001456900000000 ] - [ 0.0000000200000000, 0.0000000000000000, 0.0000690200000000 ] - [ 0.0000001500000000, 0.0000000000000000, 0.0001405600000000 ] - [ 0.0000001500000000, -0.0000001200000000, 0.0001151900000000 ] - [ 0.0034150400000000, -0.0000284300000000, -0.0000796000000000 ] - [ -0.0000400000000000, -0.0000003400000000, 0.0000125900000000 ] - [ 0.0000028400000000, 0.0000000600000000, 0.0000587700000000 ] - [ 0.0000001900000000, -0.0000001300000000, -0.0002195100000000 ] - [ 0.0003973200000000, -0.0000009600000000, 0.0001163200000000 ] - [ 0.0000005300000000, -0.0000001600000000, -0.0000578700000000 ] - [ -0.0000000300000000, -0.0000000500000000, 0.0000054400000000 ] - [ 0.0000002200000000, -0.0000001900000000, 0.0000563700000000 ] - [ 0.0000035300000000, -0.0000000800000000, -0.0002198600000000 ] - [ 0.0000001100000000, -0.0000001900000000, 0.0001170400000000 ] - [ 0.0000001900000000, -0.0000000300000000, -0.0000517100000000 ] - [ -0.0000001600000000, 0.0000000300000000, 0.0000099700000000 ] - [ 0.0000001900000000, -0.0000001500000000, 0.0000611600000000 ] - [ -0.0000001000000000, 0.0000000800000000, -0.0002224900000000 ] - [ 0.0041356400000000, 0.0000370400000000, -0.0000281700000000 ] - [ 0.0000550000000000, 0.0000006500000000, -0.0002152900000000 ] - [ -0.0000014800000000, -0.0000014700000000, 0.0000524300000000 ] - [ -0.0000000200000000, 0.0000000900000000, -0.0002131200000000 ] - [ -0.0000004800000000, 0.0000001700000000, -0.0000341100000000 ] - [ 0.0000004800000000, -0.0000002700000000, -0.0000063200000000 ] - [ -0.0000005900000000, 0.0000002600000000, -0.0002165100000000 ] - [ 0.0000027200000000, -0.0000014200000000, 0.0000492200000000 ] - [ 0.0000007500000000, -0.0000001000000000, -0.0002137000000000 ] - [ 0.0000474100000000, 0.0000001200000000, -0.0000315900000000 ] - [ 0.0000007200000000, -0.0000004000000000, -0.0000045300000000 ] - [ -0.0000006400000000, 0.0000002900000000, -0.0002145900000000 ] - [ 0.0000030800000000, -0.0000015900000000, 0.0000507100000000 ] - [ 0.0000001700000000, 0.0000000100000000, -0.0002158400000000 ] - [ -0.0000007200000000, 0.0000003200000000, -0.0000309600000000 ] - [ -0.0019011100000000, 0.0000030900000000, 0.0004544000000000 ] - [ 0.0070780400000000, -0.0000711900000000, -0.0004338600000000 ] - [ 0.0000012500000000, -0.0000002500000000, 0.0003409600000000 ] - [ -0.0025375600000000, -0.0000047500000000, -0.0006402400000000 ] - [ -0.0000002800000000, 0.0000000800000000, 0.0003524800000000 ] - [ -0.0000003800000000, 0.0000002700000000, 0.0004743100000000 ] - [ 0.0000010300000000, -0.0000005700000000, -0.0004566300000000 ] - [ 0.0000000100000000, -0.0000001200000000, 0.0003403900000000 ] - [ -0.0000005300000000, 0.0000003300000000, -0.0006672400000000 ] - [ -0.0000127700000000, 0.0000004700000000, 0.0003485000000000 ] - [ -0.0000009900000000, 0.0000005700000000, 0.0004744300000000 ] - [ 0.0000006100000000, -0.0000003000000000, -0.0004561500000000 ] - [ -0.0000001600000000, 0.0000001600000000, 0.0003470000000000 ] - [ -0.0000009200000000, 0.0000006200000000, -0.0006548600000000 ] - [ 0.0000001000000000, -0.0000000200000000, 0.0003532500000000 ] - [ -0.0001840200000000, 0.0001062100000000, 0.0001452300000000 ] - [ 0.0007156500000000, 0.0000560200000000, -0.0000402800000000 ] - [ 0.0001862500000000, 0.0001064300000000, 0.0001472500000000 ] - [ 0.0000565200000000, -0.0003759600000000, 0.0006051200000000 ] - [ 0.0001796100000000, 0.0003142400000000, -0.0006753700000000 ] - [ 0.0000009800000000, -0.0002143000000000, 0.0001473200000000 ] - [ 0.0015162300000000, -0.0000025100000000, -0.0001060500000000 ] - [ 0.0009669700000000, 0.0001216400000000, -0.0002235800000000 ] - [ 0.0017873000000000, 0.0001549300000000, 0.0002134100000000 ] - [ 0.0013627200000000, 0.0002261500000000, -0.0001048700000000 ] - [ 0.0015310700000000, -0.0003281700000000, -0.0003892400000000 ] - [ 0.0015193300000000, -0.0001407000000000, 0.0000472300000000 ] - [ -0.0001454000000000, 0.0002473300000000, 0.0000817200000000 ] - [ -0.0000104900000000, 0.0000588400000000, -0.0000909800000000 ] - [ 0.0000652000000000, -0.0001238200000000, -0.0003582300000000 ] - [ -0.0000523800000000, -0.0000243500000000, -0.0000740500000000 ] - [ 0.0002813100000000, -0.0001215400000000, -0.0001375700000000 ] - [ 0.0000451800000000, -0.0000322300000000, -0.0001052400000000 ] - [ -0.0000009200000000, -0.0000088100000000, 0.0001895700000000 ] - [ -0.0000426300000000, 0.0000250200000000, -0.0000648500000000 ] - [ 0.0000463900000000, 0.0000265600000000, -0.0000670600000000 ] - [ 0.0000070200000000, 0.0000050700000000, 0.0001901100000000 ] - [ -0.0000095400000000, 0.0000054600000000, 0.0001919100000000 ] - [ 0.0000005600000000, -0.0000534700000000, -0.0000654200000000 ] - [ 0.0000986700000000, -0.0000570800000000, 0.0001151800000000 ] - [ -0.0000004600000000, -0.0001398700000000, 0.0001723800000000 ] - [ 0.0001207000000000, 0.0000703300000000, 0.0001728400000000 ] - [ -0.0000961500000000, -0.0000562100000000, 0.0001170300000000 ] - [ -0.0001223900000000, 0.0000707800000000, 0.0001740900000000 ] - [ 0.0000005000000000, 0.0001115500000000, 0.0001175600000000 ] - [ -0.0002048000000000, 0.0002312400000000, 0.0003048900000000 ] - [ -0.0000008300000000, 0.0000547100000000, -0.0000488900000000 ] - [ 0.0001704400000000, -0.0000166800000000, -0.0000071200000000 ] - [ -0.0000477100000000, -0.0000268300000000, -0.0000497300000000 ] - [ 0.0000485000000000, -0.0000280200000000, -0.0000485700000000 ] - [ 0.0001975700000000, -0.0002162400000000, 0.0001488300000000 ] - [ -0.0001300500000000, 0.0000751200000000, 0.0000495100000000 ] - [ 0.0000004500000000, 0.0001228300000000, -0.0002176500000000 ] - [ 0.0001271900000000, 0.0000735500000000, 0.0000470900000000 ] - [ -0.0001060200000000, -0.0000617600000000, -0.0002183100000000 ] - [ 0.0001082900000000, -0.0000625600000000, -0.0002198600000000 ] - [ -0.0000000900000000, -0.0001469900000000, 0.0000479700000000 ] - [ -0.0001108100000000, 0.0000639700000000, -0.0001313900000000 ] - [ 0.0000000100000000, 0.0000589000000000, -0.0000888000000000 ] - [ 0.0001095200000000, 0.0000639700000000, -0.0001327400000000 ] - [ -0.0000509500000000, -0.0000295100000000, -0.0000886000000000 ] - [ -0.0000006800000000, -0.0001267800000000, -0.0001331100000000 ] - [ 0.0000467300000000, -0.0000269700000000, -0.0000865300000000 ] - [ -0.0000008900000000, -0.0000083800000000, 0.0001904000000000 ] - [ -0.0000432700000000, 0.0000249800000000, -0.0000651900000000 ] - [ 0.0000466600000000, 0.0000270700000000, -0.0000630600000000 ] - [ 0.0000065800000000, 0.0000048500000000, 0.0001909600000000 ] - [ -0.0000091100000000, 0.0000052700000000, 0.0001926400000000 ] - [ -0.0000001000000000, -0.0000540000000000, -0.0000636000000000 ] - [ 0.0000960800000000, -0.0000546500000000, 0.0001195900000000 ] - [ -0.0000065900000000, -0.0001384900000000, 0.0001688000000000 ] - [ 0.0001141400000000, 0.0000700100000000, 0.0001983900000000 ] - [ -0.0000937300000000, -0.0000556700000000, 0.0001183200000000 ] - [ -0.0001262500000000, 0.0000694000000000, 0.0001408600000000 ] - [ 0.0000020700000000, 0.0001085300000000, 0.0001204600000000 ] - [ -0.0001843200000000, 0.0001063700000000, 0.0001448400000000 ] - [ -0.0000008800000000, 0.0000540800000000, -0.0000483800000000 ] - [ 0.0001861100000000, 0.0001064300000000, 0.0001463800000000 ] - [ -0.0000472300000000, -0.0000264800000000, -0.0000492000000000 ] - [ 0.0000479900000000, -0.0000277400000000, -0.0000479600000000 ] - [ 0.0000008900000000, -0.0002142200000000, 0.0001465100000000 ] - [ -0.0001293700000000, 0.0000747100000000, 0.0000492700000000 ] - [ 0.0000004200000000, 0.0001256600000000, -0.0002224000000000 ] - [ 0.0001269100000000, 0.0000733200000000, 0.0000471400000000 ] - [ -0.0001084500000000, -0.0000631600000000, -0.0002231000000000 ] - [ 0.0001109000000000, -0.0000640700000000, -0.0002247400000000 ] - [ -0.0000000400000000, -0.0001466200000000, 0.0000480000000000 ] - [ -0.0001100800000000, 0.0000635600000000, -0.0001361000000000 ] - [ -0.0000000400000000, 0.0000581300000000, -0.0000888000000000 ] - [ 0.0001091400000000, 0.0000636400000000, -0.0001372800000000 ] - [ -0.0000503300000000, -0.0000290700000000, -0.0000885800000000 ] - [ -0.0000005700000000, -0.0001262200000000, -0.0001376500000000 ] - [ 0.0000459800000000, -0.0000265300000000, -0.0000864300000000 ] - [ -0.0000007100000000, -0.0000100500000000, 0.0001926800000000 ] - [ -0.0000405500000000, 0.0000233600000000, -0.0000710300000000 ] - [ 0.0000440000000000, 0.0000256100000000, -0.0000688700000000 ] - [ 0.0000081900000000, 0.0000056000000000, 0.0001930300000000 ] - [ -0.0000102500000000, 0.0000059600000000, 0.0001950200000000 ] - [ -0.0000002200000000, -0.0000508900000000, -0.0000694200000000 ] - [ 0.0000990600000000, -0.0000573200000000, 0.0001146200000000 ] - [ -0.0000003900000000, -0.0001398500000000, 0.0001709600000000 ] - [ 0.0001207900000000, 0.0000702700000000, 0.0001714700000000 ] - [ -0.0000964100000000, -0.0000563200000000, 0.0001165700000000 ] - [ -0.0001224600000000, 0.0000707900000000, 0.0001727200000000 ] - [ 0.0000004700000000, 0.0001118600000000, 0.0001170500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0019866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0294647400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006291800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006280200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006975700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055490300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012927700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010280200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012568400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012615500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004995100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003117500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004908100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004539400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003139900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003161100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0138563900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013134100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013388700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013151100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014317200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006740400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013464100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013141900000000 ] - [ -0.0000990900000000, 0.0000572100000000, -0.0003289900000000 ] - [ 0.0000000000000000, -0.0015408100000000, 0.0024329100000000 ] - [ 0.0000990900000000, 0.0000572100000000, -0.0003289900000000 ] - [ 0.0013343800000000, 0.0007704100000000, 0.0024329100000000 ] - [ -0.0013343800000000, 0.0007704100000000, 0.0024329100000000 ] - [ 0.0000000000000000, -0.0001144200000000, -0.0003289900000000 ] - [ -0.0008950000000000, 0.0005167300000000, 0.0092403900000000 ] - [ 0.0000000000000000, 0.0004849300000000, 0.0036857200000000 ] - [ 0.0008950000000000, 0.0005167300000000, 0.0092403900000000 ] - [ -0.0004199600000000, -0.0002424600000000, 0.0036857200000000 ] - [ 0.0004199600000000, -0.0002424600000000, 0.0036857200000000 ] - [ 0.0000000000000000, -0.0010334600000000, 0.0092403900000000 ] - [ 0.0002952900000000, -0.0001704900000000, -0.0006432000000000 ] - [ 0.0000000000000000, 0.0000183900000000, -0.0006157200000000 ] - [ -0.0002952900000000, -0.0001704900000000, -0.0006432000000000 ] - [ -0.0000159300000000, -0.0000092000000000, -0.0006157200000000 ] - [ 0.0000000000000000, 0.0003409700000000, -0.0006432000000000 ] - [ 0.0000159300000000, -0.0000092000000000, -0.0006157200000000 ] - [ 0.0000000000000000, 0.0000076100000000, -0.0004294900000000 ] - [ -0.0000006100000000, 0.0000003500000000, -0.0005808800000000 ] - [ 0.0000006100000000, 0.0000003500000000, -0.0005808800000000 ] - [ -0.0000065900000000, -0.0000038000000000, -0.0004294900000000 ] - [ 0.0000065900000000, -0.0000038000000000, -0.0004294900000000 ] - [ 0.0000000000000000, -0.0000007000000000, -0.0005808800000000 ] - [ 0.0001758100000000, -0.0001015000000000, -0.0003701100000000 ] - [ 0.0000000000000000, -0.0001413900000000, -0.0004452100000000 ] - [ 0.0001224500000000, 0.0000707000000000, -0.0004452100000000 ] - [ -0.0001758100000000, -0.0001015000000000, -0.0003701100000000 ] - [ -0.0001224500000000, 0.0000707000000000, -0.0004452100000000 ] - [ 0.0000000000000000, 0.0002030100000000, -0.0003701100000000 ] - [ 0.0000007200000000, -0.0000004100000000, -0.0002513900000000 ] - [ 0.0000000000000000, 0.0001712000000000, -0.0006246000000000 ] - [ -0.0000007200000000, -0.0000004100000000, -0.0002513900000000 ] - [ -0.0001482700000000, -0.0000856000000000, -0.0006246000000000 ] - [ 0.0001482700000000, -0.0000856000000000, -0.0006246000000000 ] - [ 0.0000000000000000, 0.0000008300000000, -0.0002513900000000 ] - [ -0.0000758200000000, 0.0000437700000000, -0.0005528900000000 ] - [ 0.0000000000000000, 0.0002127600000000, -0.0007078100000000 ] - [ 0.0000758200000000, 0.0000437700000000, -0.0005528900000000 ] - [ -0.0001842500000000, -0.0001063800000000, -0.0007078100000000 ] - [ 0.0001842500000000, -0.0001063800000000, -0.0007078100000000 ] - [ 0.0000000000000000, -0.0000875400000000, -0.0005528900000000 ] - [ -0.0001158000000000, 0.0000668600000000, -0.0007506100000000 ] - [ 0.0000000000000000, 0.0000246500000000, -0.0006045200000000 ] - [ 0.0001158000000000, 0.0000668600000000, -0.0007506100000000 ] - [ -0.0000213400000000, -0.0000123200000000, -0.0006045200000000 ] - [ 0.0000000000000000, -0.0001337100000000, -0.0007506100000000 ] - [ 0.0000213400000000, -0.0000123200000000, -0.0006045200000000 ] - [ 0.0000000000000000, 0.0000083600000000, -0.0004295200000000 ] - [ -0.0000026300000000, 0.0000015200000000, -0.0005805300000000 ] - [ 0.0000026300000000, 0.0000015200000000, -0.0005805300000000 ] - [ -0.0000072400000000, -0.0000041800000000, -0.0004295200000000 ] - [ 0.0000072400000000, -0.0000041800000000, -0.0004295200000000 ] - [ 0.0000000000000000, -0.0000030300000000, -0.0005805300000000 ] - [ 0.0001734000000000, -0.0001001100000000, -0.0003666900000000 ] - [ 0.0000000000000000, -0.0001506000000000, -0.0004546600000000 ] - [ 0.0001304200000000, 0.0000753000000000, -0.0004546600000000 ] - [ -0.0001734000000000, -0.0001001100000000, -0.0003666900000000 ] - [ -0.0001304200000000, 0.0000753000000000, -0.0004546600000000 ] - [ 0.0000000000000000, 0.0002002200000000, -0.0003666900000000 ] - [ -0.0000994100000000, 0.0000574000000000, -0.0003295700000000 ] - [ 0.0000000000000000, 0.0001706600000000, -0.0006237800000000 ] - [ 0.0000994100000000, 0.0000574000000000, -0.0003295700000000 ] - [ -0.0001477900000000, -0.0000853300000000, -0.0006237800000000 ] - [ 0.0001477900000000, -0.0000853300000000, -0.0006237800000000 ] - [ 0.0000000000000000, -0.0001147900000000, -0.0003295700000000 ] - [ -0.0000751700000000, 0.0000434000000000, -0.0005533700000000 ] - [ 0.0000000000000000, 0.0002145700000000, -0.0007116000000000 ] - [ 0.0000751700000000, 0.0000434000000000, -0.0005533700000000 ] - [ -0.0001858200000000, -0.0001072800000000, -0.0007116000000000 ] - [ 0.0001858200000000, -0.0001072800000000, -0.0007116000000000 ] - [ 0.0000000000000000, -0.0000867900000000, -0.0005533700000000 ] - [ -0.0001143500000000, 0.0000660200000000, -0.0007560700000000 ] - [ 0.0000000000000000, 0.0000239200000000, -0.0006047300000000 ] - [ 0.0001143500000000, 0.0000660200000000, -0.0007560700000000 ] - [ -0.0000207100000000, -0.0000119600000000, -0.0006047300000000 ] - [ 0.0000000000000000, -0.0001320400000000, -0.0007560700000000 ] - [ 0.0000207100000000, -0.0000119600000000, -0.0006047300000000 ] - [ 0.0000000000000000, 0.0000072200000000, -0.0004269400000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0005857600000000 ] - [ 0.0000005400000000, 0.0000003100000000, -0.0005857600000000 ] - [ -0.0000062600000000, -0.0000036100000000, -0.0004269400000000 ] - [ 0.0000062600000000, -0.0000036100000000, -0.0004269400000000 ] - [ 0.0000000000000000, -0.0000006200000000, -0.0005857600000000 ] - [ 0.0001759100000000, -0.0001015600000000, -0.0003705000000000 ] - [ 0.0000000000000000, -0.0001409200000000, -0.0004469500000000 ] - [ 0.0001220400000000, 0.0000704600000000, -0.0004469500000000 ] - [ -0.0001759100000000, -0.0001015600000000, -0.0003705000000000 ] - [ -0.0001220400000000, 0.0000704600000000, -0.0004469500000000 ] - [ 0.0000000000000000, 0.0002031300000000, -0.0003705000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0021951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008002900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004901400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004305300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004915400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011552600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012720000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014509900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012975700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012430500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011368200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014534900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071440900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003934200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007373400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007494900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007368800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007468100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003886600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0128219300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070788700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015839700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006409400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006025700000000 ] - [ -0.0002853000000000, 0.0001647200000000, 0.0006518300000000 ] - [ 0.0000000000000000, 0.0016760500000000, -0.0023995500000000 ] - [ 0.0002853000000000, 0.0001647200000000, 0.0006518300000000 ] - [ -0.0014515000000000, -0.0008380300000000, -0.0023995500000000 ] - [ 0.0014515000000000, -0.0008380300000000, -0.0023995500000000 ] - [ 0.0000000000000000, -0.0003294400000000, 0.0006518300000000 ] - [ 0.0006602900000000, -0.0003812200000000, -0.0091735400000000 ] - [ 0.0000000000000000, -0.0003540900000000, -0.0043211100000000 ] - [ -0.0006602900000000, -0.0003812200000000, -0.0091735400000000 ] - [ 0.0003066500000000, 0.0001770500000000, -0.0043211100000000 ] - [ -0.0003066500000000, 0.0001770500000000, -0.0043211100000000 ] - [ 0.0000000000000000, 0.0007624400000000, -0.0091735400000000 ] - [ -0.0005108800000000, 0.0002949600000000, 0.0003834200000000 ] - [ 0.0000000000000000, 0.0000919400000000, 0.0004595900000000 ] - [ 0.0005108800000000, 0.0002949600000000, 0.0003834200000000 ] - [ -0.0000796300000000, -0.0000459700000000, 0.0004595900000000 ] - [ 0.0000000000000000, -0.0005899200000000, 0.0003834200000000 ] - [ 0.0000796300000000, -0.0000459700000000, 0.0004595900000000 ] - [ 0.0000000000000000, -0.0000135100000000, 0.0007782900000000 ] - [ -0.0000823100000000, 0.0000475200000000, 0.0004540000000000 ] - [ 0.0000823100000000, 0.0000475200000000, 0.0004540000000000 ] - [ 0.0000117000000000, 0.0000067600000000, 0.0007782900000000 ] - [ -0.0000117000000000, 0.0000067600000000, 0.0007782900000000 ] - [ 0.0000000000000000, -0.0000950400000000, 0.0004540000000000 ] - [ 0.0000116500000000, -0.0000067300000000, 0.0005901500000000 ] - [ 0.0000000000000000, -0.0001355500000000, 0.0007928100000000 ] - [ 0.0001173900000000, 0.0000677700000000, 0.0007928100000000 ] - [ -0.0000116500000000, -0.0000067300000000, 0.0005901500000000 ] - [ -0.0001173900000000, 0.0000677700000000, 0.0007928100000000 ] - [ 0.0000000000000000, 0.0000134600000000, 0.0005901500000000 ] - [ -0.0003842100000000, 0.0002218200000000, 0.0005761900000000 ] - [ 0.0000000000000000, -0.0000705100000000, 0.0005514300000000 ] - [ 0.0003842100000000, 0.0002218200000000, 0.0005761900000000 ] - [ 0.0000610600000000, 0.0000352500000000, 0.0005514300000000 ] - [ -0.0000610600000000, 0.0000352500000000, 0.0005514300000000 ] - [ 0.0000000000000000, -0.0004436500000000, 0.0005761900000000 ] - [ -0.0001487800000000, 0.0000859000000000, 0.0006107600000000 ] - [ 0.0000000000000000, 0.0000244400000000, 0.0002559200000000 ] - [ 0.0001487800000000, 0.0000859000000000, 0.0006107600000000 ] - [ -0.0000211600000000, -0.0000122200000000, 0.0002559200000000 ] - [ 0.0000211600000000, -0.0000122200000000, 0.0002559200000000 ] - [ 0.0000000000000000, -0.0001718000000000, 0.0006107600000000 ] - [ -0.0000981100000000, 0.0000566400000000, 0.0005009000000000 ] - [ 0.0000000000000000, 0.0000852200000000, 0.0004547000000000 ] - [ 0.0000981100000000, 0.0000566400000000, 0.0005009000000000 ] - [ -0.0000738100000000, -0.0000426100000000, 0.0004547000000000 ] - [ 0.0000000000000000, -0.0001132900000000, 0.0005009000000000 ] - [ 0.0000738100000000, -0.0000426100000000, 0.0004547000000000 ] - [ 0.0000000000000000, -0.0000143500000000, 0.0007785700000000 ] - [ -0.0000807000000000, 0.0000465900000000, 0.0004552900000000 ] - [ 0.0000807000000000, 0.0000465900000000, 0.0004552900000000 ] - [ 0.0000124300000000, 0.0000071700000000, 0.0007785700000000 ] - [ -0.0000124300000000, 0.0000071700000000, 0.0007785700000000 ] - [ 0.0000000000000000, -0.0000931800000000, 0.0004552900000000 ] - [ 0.0000065100000000, -0.0000037600000000, 0.0005941400000000 ] - [ 0.0000000000000000, -0.0001202700000000, 0.0007923600000000 ] - [ 0.0001041600000000, 0.0000601400000000, 0.0007923600000000 ] - [ -0.0000065100000000, -0.0000037600000000, 0.0005941400000000 ] - [ -0.0001041600000000, 0.0000601400000000, 0.0007923600000000 ] - [ 0.0000000000000000, 0.0000075200000000, 0.0005941400000000 ] - [ -0.0002819500000000, 0.0001627800000000, 0.0006483100000000 ] - [ 0.0000000000000000, -0.0000681900000000, 0.0005487800000000 ] - [ 0.0002819500000000, 0.0001627800000000, 0.0006483100000000 ] - [ 0.0000590500000000, 0.0000340900000000, 0.0005487800000000 ] - [ -0.0000590500000000, 0.0000340900000000, 0.0005487800000000 ] - [ 0.0000000000000000, -0.0003255700000000, 0.0006483100000000 ] - [ -0.0001499000000000, 0.0000865500000000, 0.0006121700000000 ] - [ 0.0000000000000000, 0.0000280100000000, 0.0002500400000000 ] - [ 0.0001499000000000, 0.0000865500000000, 0.0006121700000000 ] - [ -0.0000242600000000, -0.0000140000000000, 0.0002500400000000 ] - [ 0.0000242600000000, -0.0000140000000000, 0.0002500400000000 ] - [ 0.0000000000000000, -0.0001730900000000, 0.0006121700000000 ] - [ -0.0000978100000000, 0.0000564700000000, 0.0004960300000000 ] - [ 0.0000000000000000, 0.0000847400000000, 0.0004539200000000 ] - [ 0.0000978100000000, 0.0000564700000000, 0.0004960300000000 ] - [ -0.0000733900000000, -0.0000423700000000, 0.0004539200000000 ] - [ 0.0000000000000000, -0.0001129400000000, 0.0004960300000000 ] - [ 0.0000733900000000, -0.0000423700000000, 0.0004539200000000 ] - [ 0.0000000000000000, -0.0000128700000000, 0.0007794300000000 ] - [ -0.0000795200000000, 0.0000459100000000, 0.0004523300000000 ] - [ 0.0000795200000000, 0.0000459100000000, 0.0004523300000000 ] - [ 0.0000111400000000, 0.0000064300000000, 0.0007794300000000 ] - [ -0.0000111400000000, 0.0000064300000000, 0.0007794300000000 ] - [ 0.0000000000000000, -0.0000918200000000, 0.0004523300000000 ] - [ 0.0000090300000000, -0.0000052100000000, 0.0005918100000000 ] - [ 0.0000000000000000, -0.0001326100000000, 0.0007890400000000 ] - [ 0.0001148400000000, 0.0000663100000000, 0.0007890400000000 ] - [ -0.0000090300000000, -0.0000052100000000, 0.0005918100000000 ] - [ -0.0001148400000000, 0.0000663100000000, 0.0007890400000000 ] - [ 0.0000000000000000, 0.0000104300000000, 0.0005918100000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000114200000000, -0.0000000400000000, 0.0001173500000000 ] - [ 0.0002234600000000, -0.0000004300000000, -0.0000747900000000 ] - [ -0.0250761800000000, 0.0000218200000000, -0.0001583300000000 ] - [ -0.0000117200000000, -0.0000000100000000, 0.0000700900000000 ] - [ -0.0000003700000000, 0.0000000600000000, 0.0001376900000000 ] - [ 0.0000004100000000, -0.0000000100000000, 0.0001210200000000 ] - [ -0.0000008200000000, 0.0000001700000000, -0.0000717500000000 ] - [ -0.0000001400000000, 0.0000000700000000, -0.0001485400000000 ] - [ -0.0000002100000000, 0.0000000900000000, 0.0000685100000000 ] - [ -0.0000000300000000, -0.0000000900000000, 0.0001391900000000 ] - [ 0.0000004600000000, -0.0000001600000000, 0.0001212700000000 ] - [ 0.0000000100000000, 0.0000002400000000, -0.0000706900000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0001455600000000 ] - [ 0.0000001700000000, -0.0000000200000000, 0.0000692900000000 ] - [ -0.0000000200000000, -0.0000000200000000, 0.0001404400000000 ] - [ 0.0000000200000000, -0.0000001200000000, 0.0001150700000000 ] - [ 0.0031258900000000, 0.0000249500000000, -0.0000288900000000 ] - [ 0.0040441100000000, -0.0000332700000000, -0.0000152200000000 ] - [ 0.0006808000000000, 0.0000017800000000, 0.0000591400000000 ] - [ 0.0000053500000000, -0.0000001300000000, -0.0002203400000000 ] - [ 0.0000014900000000, 0.0000000300000000, 0.0001163000000000 ] - [ 0.0000003800000000, -0.0000001600000000, -0.0000570700000000 ] - [ 0.0000001900000000, -0.0000000800000000, 0.0000064200000000 ] - [ 0.0000003600000000, -0.0000002000000000, 0.0000560200000000 ] - [ 0.0000000400000000, -0.0000000800000000, -0.0002205400000000 ] - [ 0.0000001900000000, -0.0000001900000000, 0.0001167800000000 ] - [ 0.0000003500000000, -0.0000000400000000, -0.0000507800000000 ] - [ -0.0000001500000000, 0.0000000200000000, 0.0000110300000000 ] - [ 0.0000000800000000, -0.0000001500000000, 0.0000607300000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0002233200000000 ] - [ -0.0009179900000000, 0.0000013700000000, -0.0000137400000000 ] - [ 0.0039849100000000, 0.0000356000000000, -0.0002342300000000 ] - [ -0.0013162100000000, -0.0000036200000000, 0.0000623600000000 ] - [ -0.0000081600000000, 0.0000000700000000, -0.0002138200000000 ] - [ -0.0000005600000000, 0.0000001800000000, -0.0000338200000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0000065900000000 ] - [ -0.0000005800000000, 0.0000002500000000, -0.0002162300000000 ] - [ 0.0000026700000000, -0.0000014600000000, 0.0000494900000000 ] - [ 0.0000003100000000, -0.0000000800000000, -0.0002144200000000 ] - [ -0.0000003400000000, 0.0000002500000000, -0.0000316300000000 ] - [ 0.0000007300000000, -0.0000004200000000, -0.0000047800000000 ] - [ -0.0000006500000000, 0.0000003100000000, -0.0002144200000000 ] - [ 0.0000030200000000, -0.0000016700000000, 0.0000509800000000 ] - [ 0.0000001600000000, 0.0000000100000000, -0.0002165300000000 ] - [ -0.0000007300000000, 0.0000003200000000, -0.0000307100000000 ] - [ -0.0000066000000000, -0.0000000300000000, 0.0004647000000000 ] - [ 0.0000804100000000, -0.0000005500000000, -0.0004677700000000 ] - [ 0.0001137900000000, 0.0000001400000000, 0.0003390900000000 ] - [ 0.0068662500000000, -0.0000643400000000, -0.0006200200000000 ] - [ 0.0000005700000000, 0.0000000700000000, 0.0003520900000000 ] - [ -0.0000002700000000, 0.0000002600000000, 0.0004740200000000 ] - [ 0.0000007700000000, -0.0000005500000000, -0.0004549200000000 ] - [ -0.0000001400000000, -0.0000001000000000, 0.0003392500000000 ] - [ -0.0000004400000000, 0.0000003100000000, -0.0006675500000000 ] - [ -0.0000010200000000, 0.0000004600000000, 0.0003480800000000 ] - [ -0.0000010300000000, 0.0000005700000000, 0.0004745600000000 ] - [ 0.0000003000000000, -0.0000002800000000, -0.0004546700000000 ] - [ -0.0000004800000000, 0.0000001700000000, 0.0003457500000000 ] - [ -0.0000008800000000, 0.0000006200000000, -0.0006555000000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0003529900000000 ] - [ -0.0001848900000000, 0.0001067400000000, 0.0001481400000000 ] - [ -0.0000083700000000, 0.0000529400000000, -0.0000430000000000 ] - [ 0.0001871500000000, 0.0001069300000000, 0.0001501300000000 ] - [ -0.0000426800000000, -0.0000194500000000, -0.0000283600000000 ] - [ 0.0000505000000000, -0.0000334000000000, -0.0000580400000000 ] - [ 0.0000010300000000, -0.0002153200000000, 0.0001502700000000 ] - [ -0.0001648500000000, 0.0002023000000000, 0.0001774700000000 ] - [ 0.0008065900000000, 0.0001288100000000, -0.0002218300000000 ] - [ 0.0000990600000000, -0.0000505000000000, -0.0000764300000000 ] - [ -0.0000530400000000, -0.0004925800000000, -0.0003670100000000 ] - [ 0.0002023100000000, 0.0003525300000000, -0.0000494200000000 ] - [ 0.0001860300000000, -0.0001508400000000, 0.0000491100000000 ] - [ 0.0016023100000000, 0.0001797600000000, -0.0003343900000000 ] - [ 0.0008232900000000, 0.0000534800000000, -0.0000939500000000 ] - [ 0.0018226500000000, -0.0000521900000000, 0.0000657800000000 ] - [ 0.0003888900000000, -0.0002541900000000, 0.0004863500000000 ] - [ 0.0019170100000000, -0.0001140100000000, -0.0001386300000000 ] - [ 0.0004448500000000, 0.0002151100000000, -0.0007017900000000 ] - [ -0.0000104300000000, -0.0000081600000000, 0.0001879000000000 ] - [ -0.0000731100000000, 0.0001774900000000, 0.0001000900000000 ] - [ 0.0000140300000000, -0.0001259700000000, -0.0002287700000000 ] - [ -0.0000030200000000, 0.0000047600000000, 0.0002297000000000 ] - [ -0.0000183900000000, 0.0000050700000000, 0.0001492400000000 ] - [ 0.0002332700000000, -0.0000525500000000, -0.0000624500000000 ] - [ 0.0000984000000000, -0.0000559100000000, 0.0001152000000000 ] - [ -0.0000005800000000, -0.0001401000000000, 0.0001731200000000 ] - [ 0.0001208200000000, 0.0000704700000000, 0.0001739300000000 ] - [ -0.0000961700000000, -0.0000572300000000, 0.0001138000000000 ] - [ -0.0001227300000000, 0.0000709000000000, 0.0001745000000000 ] - [ 0.0000022500000000, 0.0001113400000000, 0.0001160200000000 ] - [ -0.0001870700000000, 0.0001085400000000, 0.0001517000000000 ] - [ -0.0000008400000000, 0.0000558200000000, -0.0000478700000000 ] - [ 0.0001885300000000, 0.0001072600000000, 0.0001510900000000 ] - [ -0.0000488000000000, -0.0000274000000000, -0.0000488200000000 ] - [ 0.0000495800000000, -0.0000286000000000, -0.0000475700000000 ] - [ 0.0000018900000000, -0.0002171800000000, 0.0001523400000000 ] - [ -0.0001309600000000, 0.0000756300000000, 0.0000482100000000 ] - [ 0.0000004100000000, 0.0001227700000000, -0.0002200100000000 ] - [ 0.0001281000000000, 0.0000740800000000, 0.0000458800000000 ] - [ -0.0001061100000000, -0.0000617800000000, -0.0002207700000000 ] - [ 0.0001083300000000, -0.0000626000000000, -0.0002223600000000 ] - [ -0.0000000900000000, -0.0001480600000000, 0.0000467900000000 ] - [ -0.0001109000000000, 0.0000640400000000, -0.0001309200000000 ] - [ 0.0000000200000000, 0.0000584400000000, -0.0000876300000000 ] - [ 0.0001095800000000, 0.0000640200000000, -0.0001322000000000 ] - [ -0.0000505500000000, -0.0000292600000000, -0.0000872900000000 ] - [ -0.0000006800000000, -0.0001267300000000, -0.0001326600000000 ] - [ 0.0000463600000000, -0.0000267400000000, -0.0000853600000000 ] - [ -0.0000007900000000, -0.0000078400000000, 0.0001891200000000 ] - [ -0.0000431000000000, 0.0000249000000000, -0.0000642100000000 ] - [ 0.0000465100000000, 0.0000270700000000, -0.0000620800000000 ] - [ 0.0000061400000000, 0.0000045400000000, 0.0001893800000000 ] - [ -0.0000085800000000, 0.0000050200000000, 0.0001915800000000 ] - [ -0.0000001400000000, -0.0000538200000000, -0.0000626400000000 ] - [ 0.0000961400000000, -0.0000555900000000, 0.0001163900000000 ] - [ -0.0000003700000000, -0.0001386600000000, 0.0001693700000000 ] - [ 0.0001197500000000, 0.0000696400000000, 0.0001699400000000 ] - [ -0.0000934500000000, -0.0000546000000000, 0.0001183500000000 ] - [ -0.0001210200000000, 0.0000699500000000, 0.0001706800000000 ] - [ 0.0000004900000000, 0.0001083200000000, 0.0001189600000000 ] - [ -0.0001849700000000, 0.0001067600000000, 0.0001475500000000 ] - [ -0.0000009000000000, 0.0000556900000000, -0.0000476500000000 ] - [ 0.0001868100000000, 0.0001068600000000, 0.0001491600000000 ] - [ -0.0000487600000000, -0.0000273200000000, -0.0000485800000000 ] - [ 0.0000495200000000, -0.0000285700000000, -0.0000472800000000 ] - [ 0.0000008900000000, -0.0002149700000000, 0.0001492700000000 ] - [ -0.0001306800000000, 0.0000754600000000, 0.0000479500000000 ] - [ 0.0000003900000000, 0.0001252700000000, -0.0002249400000000 ] - [ 0.0001281600000000, 0.0000740500000000, 0.0000458900000000 ] - [ -0.0001082700000000, -0.0000630100000000, -0.0002257100000000 ] - [ 0.0001106600000000, -0.0000639400000000, -0.0002274000000000 ] - [ -0.0000000600000000, -0.0001481200000000, 0.0000467900000000 ] - [ -0.0001097400000000, 0.0000633900000000, -0.0001360200000000 ] - [ -0.0000000500000000, 0.0000576700000000, -0.0000875100000000 ] - [ 0.0001087700000000, 0.0000634600000000, -0.0001370900000000 ] - [ -0.0000499100000000, -0.0000288100000000, -0.0000871200000000 ] - [ -0.0000005800000000, -0.0001256900000000, -0.0001376000000000 ] - [ 0.0000455900000000, -0.0000263000000000, -0.0000851500000000 ] - [ -0.0000007100000000, -0.0000093600000000, 0.0001910100000000 ] - [ -0.0000401700000000, 0.0000231800000000, -0.0000702100000000 ] - [ 0.0000437000000000, 0.0000254800000000, -0.0000679800000000 ] - [ 0.0000075000000000, 0.0000052300000000, 0.0001912600000000 ] - [ -0.0000096700000000, 0.0000056400000000, 0.0001933000000000 ] - [ -0.0000002200000000, -0.0000505100000000, -0.0000685600000000 ] - [ 0.0000992000000000, -0.0000573800000000, 0.0001126100000000 ] - [ -0.0000003800000000, -0.0001402600000000, 0.0001717900000000 ] - [ 0.0001211300000000, 0.0000704700000000, 0.0001722700000000 ] - [ -0.0000965000000000, -0.0000563600000000, 0.0001146000000000 ] - [ -0.0001227800000000, 0.0000709900000000, 0.0001735600000000 ] - [ 0.0000004700000000, 0.0001119400000000, 0.0001151300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006549900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005816000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0270690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006586500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003917600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003945900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006814300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013360800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062994500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015919700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009927400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012223500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009910700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011673500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012267800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012236200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027481000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072976500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005032900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002981300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004769400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003024800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004827300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005213200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0131936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014025300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006471800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006469600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012876800000000 ] - [ -0.0000973900000000, 0.0000562300000000, -0.0003191300000000 ] - [ 0.0000000000000000, 0.0001575500000000, -0.0006084100000000 ] - [ 0.0000973900000000, 0.0000562300000000, -0.0003191300000000 ] - [ -0.0001364400000000, -0.0000787800000000, -0.0006084100000000 ] - [ 0.0001364400000000, -0.0000787800000000, -0.0006084100000000 ] - [ 0.0000000000000000, -0.0001124600000000, -0.0003191300000000 ] - [ 0.0001488000000000, -0.0000859100000000, -0.0003994900000000 ] - [ 0.0000000000000000, -0.0011681400000000, 0.0034869100000000 ] - [ -0.0001488000000000, -0.0000859100000000, -0.0003994900000000 ] - [ 0.0010116400000000, 0.0005840700000000, 0.0034869100000000 ] - [ -0.0010116400000000, 0.0005840700000000, 0.0034869100000000 ] - [ 0.0000000000000000, 0.0001718200000000, -0.0003994900000000 ] - [ -0.0004695300000000, 0.0002710800000000, 0.0096081100000000 ] - [ 0.0000000000000000, -0.0006201400000000, 0.0028374900000000 ] - [ 0.0004695300000000, 0.0002710800000000, 0.0096081100000000 ] - [ 0.0005370600000000, 0.0003100700000000, 0.0028374900000000 ] - [ 0.0000000000000000, -0.0005421600000000, 0.0096081100000000 ] - [ -0.0005370600000000, 0.0003100700000000, 0.0028374900000000 ] - [ 0.0000000000000000, -0.0000263700000000, -0.0004177000000000 ] - [ 0.0003108500000000, -0.0001794700000000, -0.0003541600000000 ] - [ -0.0003108500000000, -0.0001794700000000, -0.0003541600000000 ] - [ 0.0000228400000000, 0.0000131900000000, -0.0004177000000000 ] - [ -0.0000228400000000, 0.0000131900000000, -0.0004177000000000 ] - [ 0.0000000000000000, 0.0003589400000000, -0.0003541600000000 ] - [ 0.0001775900000000, -0.0001025300000000, -0.0003561600000000 ] - [ 0.0000000000000000, -0.0001444400000000, -0.0004262900000000 ] - [ 0.0001250900000000, 0.0000722200000000, -0.0004262900000000 ] - [ -0.0001775900000000, -0.0001025300000000, -0.0003561600000000 ] - [ -0.0001250900000000, 0.0000722200000000, -0.0004262900000000 ] - [ 0.0000000000000000, 0.0002050600000000, -0.0003561600000000 ] - [ -0.0000988100000000, 0.0000570500000000, -0.0003167200000000 ] - [ 0.0000000000000000, 0.0001681700000000, -0.0006097000000000 ] - [ 0.0000988100000000, 0.0000570500000000, -0.0003167200000000 ] - [ -0.0001456400000000, -0.0000840900000000, -0.0006097000000000 ] - [ 0.0001456400000000, -0.0000840900000000, -0.0006097000000000 ] - [ 0.0000000000000000, -0.0001141000000000, -0.0003167200000000 ] - [ -0.0000803200000000, 0.0000463700000000, -0.0005360100000000 ] - [ 0.0000000000000000, 0.0002127500000000, -0.0006931200000000 ] - [ 0.0000803200000000, 0.0000463700000000, -0.0005360100000000 ] - [ -0.0001842500000000, -0.0001063800000000, -0.0006931200000000 ] - [ 0.0001842500000000, -0.0001063800000000, -0.0006931200000000 ] - [ 0.0000000000000000, -0.0000927500000000, -0.0005360100000000 ] - [ -0.0001170000000000, 0.0000675500000000, -0.0007367800000000 ] - [ 0.0000000000000000, 0.0000260100000000, -0.0005951900000000 ] - [ 0.0001170000000000, 0.0000675500000000, -0.0007367800000000 ] - [ -0.0000225300000000, -0.0000130100000000, -0.0005951900000000 ] - [ 0.0000000000000000, -0.0001351000000000, -0.0007367800000000 ] - [ 0.0000225300000000, -0.0000130100000000, -0.0005951900000000 ] - [ 0.0000000000000000, 0.0000036600000000, -0.0004039900000000 ] - [ -0.0000040600000000, 0.0000023400000000, -0.0005645600000000 ] - [ 0.0000040600000000, 0.0000023400000000, -0.0005645600000000 ] - [ -0.0000031700000000, -0.0000018300000000, -0.0004039900000000 ] - [ 0.0000031700000000, -0.0000018300000000, -0.0004039900000000 ] - [ 0.0000000000000000, -0.0000046900000000, -0.0005645600000000 ] - [ 0.0001738100000000, -0.0001003500000000, -0.0003540700000000 ] - [ 0.0000000000000000, -0.0001424300000000, -0.0004303200000000 ] - [ 0.0001233500000000, 0.0000712200000000, -0.0004303200000000 ] - [ -0.0001738100000000, -0.0001003500000000, -0.0003540700000000 ] - [ -0.0001233500000000, 0.0000712200000000, -0.0004303200000000 ] - [ 0.0000000000000000, 0.0002007000000000, -0.0003540700000000 ] - [ -0.0000972200000000, 0.0000561300000000, -0.0003205300000000 ] - [ 0.0000000000000000, 0.0001693200000000, -0.0006103200000000 ] - [ 0.0000972200000000, 0.0000561300000000, -0.0003205300000000 ] - [ -0.0001466300000000, -0.0000846600000000, -0.0006103200000000 ] - [ 0.0001466300000000, -0.0000846600000000, -0.0006103200000000 ] - [ 0.0000000000000000, -0.0001122700000000, -0.0003205300000000 ] - [ -0.0000806900000000, 0.0000465900000000, -0.0005352500000000 ] - [ 0.0000000000000000, 0.0002154300000000, -0.0006979100000000 ] - [ 0.0000806900000000, 0.0000465900000000, -0.0005352500000000 ] - [ -0.0001865700000000, -0.0001077100000000, -0.0006979100000000 ] - [ 0.0001865700000000, -0.0001077100000000, -0.0006979100000000 ] - [ 0.0000000000000000, -0.0000931800000000, -0.0005352500000000 ] - [ -0.0001158700000000, 0.0000669000000000, -0.0007421700000000 ] - [ 0.0000000000000000, 0.0000251200000000, -0.0005950400000000 ] - [ 0.0001158700000000, 0.0000669000000000, -0.0007421700000000 ] - [ -0.0000217500000000, -0.0000125600000000, -0.0005950400000000 ] - [ 0.0000000000000000, -0.0001337900000000, -0.0007421700000000 ] - [ 0.0000217500000000, -0.0000125600000000, -0.0005950400000000 ] - [ 0.0000000000000000, 0.0000031900000000, -0.0004024400000000 ] - [ -0.0000018100000000, 0.0000010400000000, -0.0005699200000000 ] - [ 0.0000018100000000, 0.0000010400000000, -0.0005699200000000 ] - [ -0.0000027600000000, -0.0000016000000000, -0.0004024400000000 ] - [ 0.0000027600000000, -0.0000016000000000, -0.0004024400000000 ] - [ 0.0000000000000000, -0.0000020800000000, -0.0005699200000000 ] - [ 0.0001760900000000, -0.0001016600000000, -0.0003568900000000 ] - [ 0.0000000000000000, -0.0001432300000000, -0.0004284200000000 ] - [ 0.0001240400000000, 0.0000716100000000, -0.0004284200000000 ] - [ -0.0001760900000000, -0.0001016600000000, -0.0003568900000000 ] - [ -0.0001240400000000, 0.0000716100000000, -0.0004284200000000 ] - [ 0.0000000000000000, 0.0002033300000000, -0.0003568900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007310400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0268184400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004638000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004030700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006261700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006883400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004754200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006852600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004749600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011039600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035580000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014764800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011036700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011073000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014369600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027255600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069153800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040622300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007382500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005465700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005174100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007297700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003758400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007310000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005442900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007275900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003748600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007330300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0117926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005819500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004534400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006265900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005871800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004532100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015556700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015976900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005825900000000 ] - [ -0.0002718600000000, 0.0001569600000000, 0.0006198100000000 ] - [ 0.0000000000000000, -0.0000549700000000, 0.0005276200000000 ] - [ 0.0002718600000000, 0.0001569600000000, 0.0006198100000000 ] - [ 0.0000476100000000, 0.0000274900000000, 0.0005276200000000 ] - [ -0.0000476100000000, 0.0000274900000000, 0.0005276200000000 ] - [ 0.0000000000000000, -0.0003139200000000, 0.0006198100000000 ] - [ -0.0004057300000000, 0.0002342500000000, 0.0004955100000000 ] - [ 0.0000000000000000, 0.0014889300000000, -0.0037975200000000 ] - [ 0.0004057300000000, 0.0002342500000000, 0.0004955100000000 ] - [ -0.0012894500000000, -0.0007444700000000, -0.0037975200000000 ] - [ 0.0012894500000000, -0.0007444700000000, -0.0037975200000000 ] - [ 0.0000000000000000, -0.0004685000000000, 0.0004955100000000 ] - [ 0.0002488700000000, -0.0001436900000000, -0.0098789400000000 ] - [ 0.0000000000000000, 0.0006525000000000, -0.0031523800000000 ] - [ -0.0002488700000000, -0.0001436900000000, -0.0098789400000000 ] - [ -0.0005650800000000, -0.0003262500000000, -0.0031523800000000 ] - [ 0.0000000000000000, 0.0002873700000000, -0.0098789400000000 ] - [ 0.0005650800000000, -0.0003262500000000, -0.0031523800000000 ] - [ 0.0000000000000000, 0.0000095900000000, 0.0007952200000000 ] - [ -0.0004021900000000, 0.0002322100000000, 0.0002261400000000 ] - [ 0.0004021900000000, 0.0002322100000000, 0.0002261400000000 ] - [ -0.0000083000000000, -0.0000047900000000, 0.0007952200000000 ] - [ 0.0000083000000000, -0.0000047900000000, 0.0007952200000000 ] - [ 0.0000000000000000, -0.0004644100000000, 0.0002261400000000 ] - [ 0.0000166600000000, -0.0000096200000000, 0.0005841900000000 ] - [ 0.0000000000000000, -0.0001367500000000, 0.0007753300000000 ] - [ 0.0001184300000000, 0.0000683800000000, 0.0007753300000000 ] - [ -0.0000166600000000, -0.0000096200000000, 0.0005841900000000 ] - [ -0.0001184300000000, 0.0000683800000000, 0.0007753300000000 ] - [ 0.0000000000000000, 0.0000192400000000, 0.0005841900000000 ] - [ -0.0002741900000000, 0.0001583000000000, 0.0006213200000000 ] - [ 0.0000000000000000, -0.0000596600000000, 0.0005185600000000 ] - [ 0.0002741900000000, 0.0001583000000000, 0.0006213200000000 ] - [ 0.0000516700000000, 0.0000298300000000, 0.0005185600000000 ] - [ -0.0000516700000000, 0.0000298300000000, 0.0005185600000000 ] - [ 0.0000000000000000, -0.0003166100000000, 0.0006213200000000 ] - [ -0.0001744400000000, 0.0001007100000000, 0.0006224300000000 ] - [ 0.0000000000000000, 0.0000321700000000, 0.0002480700000000 ] - [ 0.0001744400000000, 0.0001007100000000, 0.0006224300000000 ] - [ -0.0000278600000000, -0.0000160800000000, 0.0002480700000000 ] - [ 0.0000278600000000, -0.0000160800000000, 0.0002480700000000 ] - [ 0.0000000000000000, -0.0002014300000000, 0.0006224300000000 ] - [ -0.0001012900000000, 0.0000584800000000, 0.0004734300000000 ] - [ 0.0000000000000000, 0.0000869500000000, 0.0004250900000000 ] - [ 0.0001012900000000, 0.0000584800000000, 0.0004734300000000 ] - [ -0.0000753000000000, -0.0000434800000000, 0.0004250900000000 ] - [ 0.0000000000000000, -0.0001169600000000, 0.0004734300000000 ] - [ 0.0000753000000000, -0.0000434800000000, 0.0004250900000000 ] - [ 0.0000000000000000, -0.0000196500000000, 0.0007833600000000 ] - [ -0.0000851400000000, 0.0000491500000000, 0.0004392600000000 ] - [ 0.0000851400000000, 0.0000491500000000, 0.0004392600000000 ] - [ 0.0000170200000000, 0.0000098300000000, 0.0007833600000000 ] - [ -0.0000170200000000, 0.0000098300000000, 0.0007833600000000 ] - [ 0.0000000000000000, -0.0000983100000000, 0.0004392600000000 ] - [ 0.0000153100000000, -0.0000088400000000, 0.0005879900000000 ] - [ 0.0000000000000000, -0.0001356700000000, 0.0007714500000000 ] - [ 0.0001174900000000, 0.0000678300000000, 0.0007714500000000 ] - [ -0.0000153100000000, -0.0000088400000000, 0.0005879900000000 ] - [ -0.0001174900000000, 0.0000678300000000, 0.0007714500000000 ] - [ 0.0000000000000000, 0.0000176800000000, 0.0005879900000000 ] - [ -0.0002715000000000, 0.0001567500000000, 0.0006186500000000 ] - [ 0.0000000000000000, -0.0000595700000000, 0.0005189300000000 ] - [ 0.0002715000000000, 0.0001567500000000, 0.0006186500000000 ] - [ 0.0000515800000000, 0.0000297800000000, 0.0005189300000000 ] - [ -0.0000515800000000, 0.0000297800000000, 0.0005189300000000 ] - [ 0.0000000000000000, -0.0003135000000000, 0.0006186500000000 ] - [ -0.0001736000000000, 0.0001002300000000, 0.0006215500000000 ] - [ 0.0000000000000000, 0.0000342600000000, 0.0002428200000000 ] - [ 0.0001736000000000, 0.0001002300000000, 0.0006215500000000 ] - [ -0.0000296700000000, -0.0000171300000000, 0.0002428200000000 ] - [ 0.0000296700000000, -0.0000171300000000, 0.0002428200000000 ] - [ 0.0000000000000000, -0.0002004600000000, 0.0006215500000000 ] - [ -0.0001001800000000, 0.0000578400000000, 0.0004686900000000 ] - [ 0.0000000000000000, 0.0000860600000000, 0.0004261400000000 ] - [ 0.0001001800000000, 0.0000578400000000, 0.0004686900000000 ] - [ -0.0000745300000000, -0.0000430300000000, 0.0004261400000000 ] - [ 0.0000000000000000, -0.0001156800000000, 0.0004686900000000 ] - [ 0.0000745300000000, -0.0000430300000000, 0.0004261400000000 ] - [ 0.0000000000000000, -0.0000202900000000, 0.0007847500000000 ] - [ -0.0000834000000000, 0.0000481500000000, 0.0004344500000000 ] - [ 0.0000834000000000, 0.0000481500000000, 0.0004344500000000 ] - [ 0.0000175700000000, 0.0000101400000000, 0.0007847500000000 ] - [ -0.0000175700000000, 0.0000101400000000, 0.0007847500000000 ] - [ 0.0000000000000000, -0.0000963000000000, 0.0004344500000000 ] - [ 0.0000182800000000, -0.0000105500000000, 0.0005843100000000 ] - [ 0.0000000000000000, -0.0001372100000000, 0.0007738400000000 ] - [ 0.0001188300000000, 0.0000686000000000, 0.0007738400000000 ] - [ -0.0000182800000000, -0.0000105500000000, 0.0005843100000000 ] - [ -0.0001188300000000, 0.0000686000000000, 0.0007738400000000 ] - [ 0.0000000000000000, 0.0000211000000000, 0.0005843100000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003700000000, -0.0000000900000000, 0.0001169300000000 ] - [ -0.0000004300000000, 0.0000001200000000, -0.0000742200000000 ] - [ -0.0000116900000000, 0.0000000900000000, -0.0001455800000000 ] - [ -0.0247654400000000, 0.0000257100000000, 0.0000600200000000 ] - [ 0.0002193400000000, 0.0000006000000000, 0.0001380700000000 ] - [ 0.0000005100000000, -0.0000000400000000, 0.0001206000000000 ] - [ -0.0000003500000000, 0.0000001900000000, -0.0000716200000000 ] - [ -0.0000000200000000, 0.0000000600000000, -0.0001491300000000 ] - [ -0.0000001400000000, 0.0000000900000000, 0.0000688100000000 ] - [ 0.0000005000000000, -0.0000000700000000, 0.0001391700000000 ] - [ 0.0000011100000000, -0.0000001400000000, 0.0001208900000000 ] - [ -0.0000005500000000, 0.0000002500000000, -0.0000705800000000 ] - [ 0.0000000200000000, -0.0000000400000000, -0.0001461000000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0000695600000000 ] - [ -0.0000005200000000, 0.0000000200000000, 0.0001404500000000 ] - [ -0.0000338400000000, -0.0000002400000000, 0.0001160900000000 ] - [ 0.0000035000000000, 0.0000000300000000, -0.0000532200000000 ] - [ 0.0004378600000000, -0.0000012600000000, 0.0000126800000000 ] - [ 0.0030720900000000, 0.0000240900000000, 0.0000821700000000 ] - [ 0.0031818100000000, -0.0000266500000000, -0.0002454200000000 ] - [ -0.0000001600000000, 0.0000000200000000, 0.0001173600000000 ] - [ 0.0000002900000000, -0.0000001600000000, -0.0000590500000000 ] - [ -0.0000001600000000, -0.0000000700000000, 0.0000065700000000 ] - [ 0.0000003500000000, -0.0000001900000000, 0.0000567600000000 ] - [ 0.0000003700000000, -0.0000000700000000, -0.0002203100000000 ] - [ 0.0000002400000000, -0.0000002000000000, 0.0001178200000000 ] - [ 0.0000000200000000, -0.0000000300000000, -0.0000527900000000 ] - [ -0.0000001700000000, 0.0000000100000000, 0.0000109900000000 ] - [ 0.0000004100000000, -0.0000001400000000, 0.0000614500000000 ] - [ -0.0000000400000000, 0.0000000700000000, -0.0002228300000000 ] - [ 0.0000010700000000, -0.0000003500000000, -0.0000083400000000 ] - [ 0.0000450700000000, 0.0000002500000000, -0.0002142600000000 ] - [ -0.0009157200000000, 0.0000002700000000, 0.0000467200000000 ] - [ 0.0038098800000000, 0.0000345700000000, -0.0002327700000000 ] - [ 0.0000506800000000, 0.0000003700000000, -0.0000335800000000 ] - [ 0.0000004900000000, -0.0000002700000000, -0.0000070500000000 ] - [ -0.0000005800000000, 0.0000002500000000, -0.0002162600000000 ] - [ 0.0000026900000000, -0.0000014400000000, 0.0000497900000000 ] - [ 0.0000003200000000, -0.0000000800000000, -0.0002140200000000 ] - [ -0.0000006300000000, 0.0000002600000000, -0.0000312700000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0000053300000000 ] - [ -0.0000006600000000, 0.0000003000000000, -0.0002142100000000 ] - [ 0.0000030600000000, -0.0000016300000000, 0.0000512700000000 ] - [ 0.0000001700000000, 0.0000000200000000, -0.0002161300000000 ] - [ -0.0000007400000000, 0.0000003300000000, -0.0000302300000000 ] - [ 0.0000000300000000, -0.0000000400000000, 0.0004649900000000 ] - [ 0.0000001300000000, -0.0000002300000000, -0.0004688900000000 ] - [ 0.0075041100000000, -0.0000716800000000, 0.0003784500000000 ] - [ -0.0000124000000000, 0.0000000000000000, -0.0006560000000000 ] - [ -0.0022945800000000, -0.0000040800000000, 0.0003646900000000 ] - [ -0.0000002000000000, 0.0000002900000000, 0.0004740900000000 ] - [ 0.0000009600000000, -0.0000005700000000, -0.0004562300000000 ] - [ 0.0000002600000000, -0.0000000900000000, 0.0003413400000000 ] - [ -0.0000003300000000, 0.0000003000000000, -0.0006679400000000 ] - [ -0.0000009300000000, 0.0000004800000000, 0.0003477800000000 ] - [ -0.0000092100000000, 0.0000005600000000, 0.0004746500000000 ] - [ 0.0000010800000000, -0.0000003000000000, -0.0004556200000000 ] - [ -0.0000000600000000, 0.0000001900000000, 0.0003482700000000 ] - [ -0.0000010400000000, 0.0000006100000000, -0.0006561800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0003525900000000 ] - [ -0.0001820700000000, 0.0000998000000000, 0.0001301900000000 ] - [ -0.0000009000000000, 0.0000511000000000, -0.0000423800000000 ] - [ 0.0001879000000000, 0.0001125700000000, 0.0001642200000000 ] - [ -0.0000446900000000, -0.0000249500000000, -0.0000432300000000 ] - [ 0.0000452000000000, -0.0000260600000000, -0.0000417900000000 ] - [ -0.0000080900000000, -0.0002141500000000, 0.0001482500000000 ] - [ -0.0001318900000000, 0.0000761100000000, 0.0000508000000000 ] - [ 0.0000020100000000, 0.0001230300000000, -0.0002226700000000 ] - [ 0.0001292200000000, 0.0000747300000000, 0.0000492000000000 ] - [ -0.0001064800000000, -0.0000628700000000, -0.0002249200000000 ] - [ 0.0001078400000000, -0.0000613600000000, -0.0002229400000000 ] - [ -0.0000001400000000, -0.0001493700000000, 0.0000497700000000 ] - [ -0.0001141200000000, 0.0000629700000000, -0.0001697800000000 ] - [ 0.0002549400000000, 0.0000571800000000, -0.0000918700000000 ] - [ 0.0000991500000000, 0.0000609100000000, -0.0001069300000000 ] - [ -0.0000582900000000, -0.0001814100000000, -0.0002290300000000 ] - [ -0.0000057400000000, -0.0001227000000000, -0.0001392300000000 ] - [ 0.0000368500000000, 0.0001254200000000, 0.0000508400000000 ] - [ 0.0018043800000000, 0.0000014500000000, 0.0001802500000000 ] - [ 0.0000065900000000, 0.0004298500000000, 0.0001690000000000 ] - [ 0.0000547400000000, -0.0003945000000000, -0.0002585300000000 ] - [ 0.0017173500000000, -0.0000475000000000, 0.0003637000000000 ] - [ 0.0016980000000000, 0.0000597500000000, 0.0000176700000000 ] - [ 0.0007446800000000, -0.0000484400000000, -0.0000616700000000 ] - [ 0.0012689300000000, -0.0002093800000000, -0.0002921700000000 ] - [ 0.0002590400000000, -0.0001375500000000, 0.0001737100000000 ] - [ 0.0000801900000000, -0.0001023600000000, -0.0000275800000000 ] - [ 0.0011164800000000, 0.0001151600000000, 0.0004827800000000 ] - [ -0.0001581800000000, 0.0002417900000000, 0.0003739900000000 ] - [ 0.0009116900000000, 0.0001090200000000, 0.0001142300000000 ] - [ -0.0001859200000000, 0.0001073000000000, 0.0001489000000000 ] - [ -0.0000008300000000, 0.0000538700000000, -0.0000470200000000 ] - [ 0.0001876600000000, 0.0001073200000000, 0.0001505600000000 ] - [ -0.0000470000000000, -0.0000263800000000, -0.0000478600000000 ] - [ 0.0000478900000000, -0.0000276300000000, -0.0000467800000000 ] - [ 0.0000009100000000, -0.0002160800000000, 0.0001506800000000 ] - [ -0.0001302300000000, 0.0000752000000000, 0.0000473700000000 ] - [ 0.0000004400000000, 0.0001228900000000, -0.0002197300000000 ] - [ 0.0001273200000000, 0.0000736300000000, 0.0000449900000000 ] - [ -0.0001060700000000, -0.0000617700000000, -0.0002202900000000 ] - [ 0.0001082900000000, -0.0000625500000000, -0.0002218400000000 ] - [ -0.0000001100000000, -0.0001471500000000, 0.0000458400000000 ] - [ -0.0001105700000000, 0.0000638000000000, -0.0001315000000000 ] - [ 0.0000000300000000, 0.0000584700000000, -0.0000875900000000 ] - [ 0.0001093100000000, 0.0000638500000000, -0.0001328200000000 ] - [ -0.0000506100000000, -0.0000293200000000, -0.0000874000000000 ] - [ -0.0000007100000000, -0.0001265000000000, -0.0001331600000000 ] - [ 0.0000463900000000, -0.0000267600000000, -0.0000853300000000 ] - [ -0.0000008400000000, -0.0000068100000000, 0.0001891400000000 ] - [ -0.0000440000000000, 0.0000254100000000, -0.0000626500000000 ] - [ 0.0000474300000000, 0.0000276000000000, -0.0000604900000000 ] - [ 0.0000051800000000, 0.0000040100000000, 0.0001893400000000 ] - [ -0.0000077300000000, 0.0000045000000000, 0.0001916100000000 ] - [ -0.0000001700000000, -0.0000549300000000, -0.0000610200000000 ] - [ 0.0000954100000000, -0.0000551800000000, 0.0001174500000000 ] - [ -0.0000003000000000, -0.0001376700000000, 0.0001685600000000 ] - [ 0.0001188500000000, 0.0000690900000000, 0.0001690000000000 ] - [ -0.0000927000000000, -0.0000541600000000, 0.0001194000000000 ] - [ -0.0001201700000000, 0.0000695100000000, 0.0001700200000000 ] - [ 0.0000004800000000, 0.0001075000000000, 0.0001200200000000 ] - [ -0.0001842600000000, 0.0001063300000000, 0.0001457800000000 ] - [ 0.0000000500000000, 0.0000539500000000, -0.0000470200000000 ] - [ 0.0001860400000000, 0.0001064000000000, 0.0001474100000000 ] - [ -0.0000471600000000, -0.0000269400000000, -0.0000501800000000 ] - [ 0.0000479300000000, -0.0000271100000000, -0.0000443600000000 ] - [ 0.0000008700000000, -0.0002141500000000, 0.0001474900000000 ] - [ -0.0001300200000000, 0.0000750000000000, 0.0000469100000000 ] - [ 0.0000004200000000, 0.0001241600000000, -0.0002240600000000 ] - [ 0.0001275600000000, 0.0000737900000000, 0.0000451100000000 ] - [ -0.0001071700000000, -0.0000623800000000, -0.0002245900000000 ] - [ 0.0001094700000000, -0.0000632200000000, -0.0002261900000000 ] - [ -0.0000002100000000, -0.0001473100000000, 0.0000457900000000 ] - [ -0.0001080900000000, 0.0000623700000000, -0.0001377300000000 ] - [ -0.0000000300000000, 0.0000577100000000, -0.0000876300000000 ] - [ 0.0001071500000000, 0.0000625100000000, -0.0001388200000000 ] - [ -0.0000500100000000, -0.0000288900000000, -0.0000874300000000 ] - [ -0.0000006200000000, -0.0001240000000000, -0.0001391500000000 ] - [ 0.0000456100000000, -0.0000263100000000, -0.0000852600000000 ] - [ -0.0000007600000000, -0.0000077700000000, 0.0001909200000000 ] - [ -0.0000416600000000, 0.0000240300000000, -0.0000679300000000 ] - [ 0.0000451800000000, 0.0000263600000000, -0.0000656600000000 ] - [ 0.0000060900000000, 0.0000044400000000, 0.0001911200000000 ] - [ -0.0000083000000000, 0.0000048200000000, 0.0001931800000000 ] - [ -0.0000002500000000, -0.0000522900000000, -0.0000662500000000 ] - [ 0.0000978800000000, -0.0000566000000000, 0.0001142800000000 ] - [ -0.0000003800000000, -0.0001386800000000, 0.0001706600000000 ] - [ 0.0001196900000000, 0.0000696500000000, 0.0001710900000000 ] - [ -0.0000952200000000, -0.0000556300000000, 0.0001161700000000 ] - [ -0.0001214400000000, 0.0000702100000000, 0.0001724000000000 ] - [ 0.0000004900000000, 0.0001104800000000, 0.0001167500000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006590800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003886700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0293839800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006626400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003953700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006162900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006847100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006641100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003980400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006171600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006853400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013484600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012297200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012310100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013489000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002391100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027816000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004196800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005071300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004796500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003074200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005087300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004813600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004877400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014023300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003027400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0061397500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006529300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013239600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002915200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012950900000000 ] - [ -0.0000994800000000, 0.0000574300000000, -0.0003386500000000 ] - [ 0.0000000000000000, 0.0001669700000000, -0.0006144100000000 ] - [ 0.0000994800000000, 0.0000574300000000, -0.0003386500000000 ] - [ -0.0001446000000000, -0.0000834800000000, -0.0006144100000000 ] - [ 0.0001446000000000, -0.0000834800000000, -0.0006144100000000 ] - [ 0.0000000000000000, -0.0001148700000000, -0.0003386500000000 ] - [ -0.0000873000000000, 0.0000504100000000, -0.0005283400000000 ] - [ 0.0000000000000000, 0.0002187100000000, -0.0006976100000000 ] - [ 0.0000873000000000, 0.0000504100000000, -0.0005283400000000 ] - [ -0.0001894100000000, -0.0001093500000000, -0.0006976100000000 ] - [ 0.0001894100000000, -0.0001093500000000, -0.0006976100000000 ] - [ 0.0000000000000000, -0.0001008100000000, -0.0005283400000000 ] - [ -0.0001340700000000, 0.0000774100000000, -0.0007617900000000 ] - [ 0.0000000000000000, 0.0003683600000000, -0.0004359100000000 ] - [ 0.0001340700000000, 0.0000774100000000, -0.0007617900000000 ] - [ -0.0003190100000000, -0.0001841800000000, -0.0004359100000000 ] - [ 0.0000000000000000, -0.0001548100000000, -0.0007617900000000 ] - [ 0.0003190100000000, -0.0001841800000000, -0.0004359100000000 ] - [ 0.0000000000000000, -0.0006842500000000, 0.0098013600000000 ] - [ -0.0010108100000000, 0.0005835900000000, 0.0039405200000000 ] - [ 0.0010108100000000, 0.0005835900000000, 0.0039405200000000 ] - [ 0.0005925800000000, 0.0003421300000000, 0.0098013600000000 ] - [ -0.0005925800000000, 0.0003421300000000, 0.0098013600000000 ] - [ 0.0000000000000000, -0.0011671900000000, 0.0039405200000000 ] - [ 0.0000311100000000, -0.0000179600000000, 0.0032963700000000 ] - [ 0.0000000000000000, 0.0003097500000000, -0.0003168100000000 ] - [ -0.0002682500000000, -0.0001548800000000, -0.0003168100000000 ] - [ -0.0000311100000000, -0.0000179600000000, 0.0032963700000000 ] - [ 0.0002682500000000, -0.0001548800000000, -0.0003168100000000 ] - [ 0.0000000000000000, 0.0000359300000000, 0.0032963700000000 ] - [ -0.0000959700000000, 0.0000554100000000, -0.0003275700000000 ] - [ 0.0000000000000000, 0.0001702700000000, -0.0006204200000000 ] - [ 0.0000959700000000, 0.0000554100000000, -0.0003275700000000 ] - [ -0.0001474600000000, -0.0000851300000000, -0.0006204200000000 ] - [ 0.0001474600000000, -0.0000851300000000, -0.0006204200000000 ] - [ 0.0000000000000000, -0.0001108200000000, -0.0003275700000000 ] - [ -0.0000851000000000, 0.0000491300000000, -0.0005327200000000 ] - [ 0.0000000000000000, 0.0002128300000000, -0.0006934100000000 ] - [ 0.0000851000000000, 0.0000491300000000, -0.0005327200000000 ] - [ -0.0001843100000000, -0.0001064100000000, -0.0006934100000000 ] - [ 0.0001843100000000, -0.0001064100000000, -0.0006934100000000 ] - [ 0.0000000000000000, -0.0000982700000000, -0.0005327200000000 ] - [ -0.0001163700000000, 0.0000671900000000, -0.0007458800000000 ] - [ 0.0000000000000000, 0.0000265300000000, -0.0006028600000000 ] - [ 0.0001163700000000, 0.0000671900000000, -0.0007458800000000 ] - [ -0.0000229700000000, -0.0000132600000000, -0.0006028600000000 ] - [ 0.0000000000000000, -0.0001343700000000, -0.0007458800000000 ] - [ 0.0000229700000000, -0.0000132600000000, -0.0006028600000000 ] - [ 0.0000000000000000, 0.0000032700000000, -0.0004051800000000 ] - [ -0.0000055800000000, 0.0000032200000000, -0.0005676400000000 ] - [ 0.0000055800000000, 0.0000032200000000, -0.0005676400000000 ] - [ -0.0000028300000000, -0.0000016300000000, -0.0004051800000000 ] - [ 0.0000028300000000, -0.0000016300000000, -0.0004051800000000 ] - [ 0.0000000000000000, -0.0000064400000000, -0.0005676400000000 ] - [ 0.0001743600000000, -0.0001006700000000, -0.0003549100000000 ] - [ 0.0000000000000000, -0.0001421500000000, -0.0004359300000000 ] - [ 0.0001231100000000, 0.0000710800000000, -0.0004359300000000 ] - [ -0.0001743600000000, -0.0001006700000000, -0.0003549100000000 ] - [ -0.0001231100000000, 0.0000710800000000, -0.0004359300000000 ] - [ 0.0000000000000000, 0.0002013300000000, -0.0003549100000000 ] - [ -0.0000940700000000, 0.0000543100000000, -0.0003308000000000 ] - [ 0.0000000000000000, 0.0001722600000000, -0.0006189700000000 ] - [ 0.0000940700000000, 0.0000543100000000, -0.0003308000000000 ] - [ -0.0001491800000000, -0.0000861300000000, -0.0006189700000000 ] - [ 0.0001491800000000, -0.0000861300000000, -0.0006189700000000 ] - [ 0.0000000000000000, -0.0001086200000000, -0.0003308000000000 ] - [ -0.0000850000000000, 0.0000490700000000, -0.0005322100000000 ] - [ 0.0000000000000000, 0.0002202200000000, -0.0007010200000000 ] - [ 0.0000850000000000, 0.0000490700000000, -0.0005322100000000 ] - [ -0.0001907200000000, -0.0001101100000000, -0.0007010200000000 ] - [ 0.0001907200000000, -0.0001101100000000, -0.0007010200000000 ] - [ 0.0000000000000000, -0.0000981500000000, -0.0005322100000000 ] - [ -0.0001195600000000, 0.0000690300000000, -0.0007475100000000 ] - [ 0.0000000000000000, 0.0000256200000000, -0.0006029200000000 ] - [ 0.0001195600000000, 0.0000690300000000, -0.0007475100000000 ] - [ -0.0000221900000000, -0.0000128100000000, -0.0006029200000000 ] - [ 0.0000000000000000, -0.0001380500000000, -0.0007475100000000 ] - [ 0.0000221900000000, -0.0000128100000000, -0.0006029200000000 ] - [ 0.0000000000000000, 0.0000022300000000, -0.0004030100000000 ] - [ -0.0000033800000000, 0.0000019500000000, -0.0005730100000000 ] - [ 0.0000033800000000, 0.0000019500000000, -0.0005730100000000 ] - [ -0.0000019300000000, -0.0000011100000000, -0.0004030100000000 ] - [ 0.0000019300000000, -0.0000011100000000, -0.0004030100000000 ] - [ 0.0000000000000000, -0.0000039000000000, -0.0005730100000000 ] - [ 0.0001772400000000, -0.0001023300000000, -0.0003582300000000 ] - [ 0.0000000000000000, -0.0001438900000000, -0.0004334100000000 ] - [ 0.0001246100000000, 0.0000719400000000, -0.0004334100000000 ] - [ -0.0001772400000000, -0.0001023300000000, -0.0003582300000000 ] - [ -0.0001246100000000, 0.0000719400000000, -0.0004334100000000 ] - [ 0.0000000000000000, 0.0002046600000000, -0.0003582300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006779800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296197200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004201000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006919000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004054600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006313000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011307600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012882600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014403800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011091400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014449500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012084300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011117900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006667600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067183300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004845900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007344700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005478600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015791900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0137996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006357600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006293000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005903100000000 ] - [ -0.0002780300000000, 0.0001605200000000, 0.0006491900000000 ] - [ 0.0000000000000000, -0.0000635500000000, 0.0005376400000000 ] - [ 0.0002780300000000, 0.0001605200000000, 0.0006491900000000 ] - [ 0.0000550300000000, 0.0000317700000000, 0.0005376400000000 ] - [ -0.0000550300000000, 0.0000317700000000, 0.0005376400000000 ] - [ 0.0000000000000000, -0.0003210400000000, 0.0006491900000000 ] - [ -0.0001590400000000, 0.0000918200000000, 0.0006135400000000 ] - [ 0.0000000000000000, 0.0000189800000000, 0.0002456300000000 ] - [ 0.0001590400000000, 0.0000918200000000, 0.0006135400000000 ] - [ -0.0000164300000000, -0.0000094900000000, 0.0002456300000000 ] - [ 0.0000164300000000, -0.0000094900000000, 0.0002456300000000 ] - [ 0.0000000000000000, -0.0001836500000000, 0.0006135400000000 ] - [ -0.0000746300000000, 0.0000430900000000, 0.0004942200000000 ] - [ 0.0000000000000000, -0.0002517700000000, 0.0002735000000000 ] - [ 0.0000746300000000, 0.0000430900000000, 0.0004942200000000 ] - [ 0.0002180400000000, 0.0001258900000000, 0.0002735000000000 ] - [ 0.0000000000000000, -0.0000861700000000, 0.0004942200000000 ] - [ -0.0002180400000000, 0.0001258900000000, 0.0002735000000000 ] - [ 0.0000000000000000, 0.0006703800000000, -0.0094400500000000 ] - [ 0.0009877100000000, -0.0005702600000000, -0.0039233800000000 ] - [ -0.0009877100000000, -0.0005702600000000, -0.0039233800000000 ] - [ -0.0005805600000000, -0.0003351900000000, -0.0094400500000000 ] - [ 0.0005805600000000, -0.0003351900000000, -0.0094400500000000 ] - [ 0.0000000000000000, 0.0011405100000000, -0.0039233800000000 ] - [ 0.0000770600000000, -0.0000444900000000, -0.0032196700000000 ] - [ 0.0000000000000000, -0.0005858500000000, 0.0006595900000000 ] - [ 0.0005073600000000, 0.0002929300000000, 0.0006595900000000 ] - [ -0.0000770600000000, -0.0000444900000000, -0.0032196700000000 ] - [ -0.0005073600000000, 0.0002929300000000, 0.0006595900000000 ] - [ 0.0000000000000000, 0.0000889800000000, -0.0032196700000000 ] - [ -0.0002855600000000, 0.0001648700000000, 0.0006437500000000 ] - [ 0.0000000000000000, -0.0000607400000000, 0.0005329800000000 ] - [ 0.0002855600000000, 0.0001648700000000, 0.0006437500000000 ] - [ 0.0000526000000000, 0.0000303700000000, 0.0005329800000000 ] - [ -0.0000526000000000, 0.0000303700000000, 0.0005329800000000 ] - [ 0.0000000000000000, -0.0003297400000000, 0.0006437500000000 ] - [ -0.0001559100000000, 0.0000900100000000, 0.0006079400000000 ] - [ 0.0000000000000000, 0.0000174800000000, 0.0002498300000000 ] - [ 0.0001559100000000, 0.0000900100000000, 0.0006079400000000 ] - [ -0.0000151400000000, -0.0000087400000000, 0.0002498300000000 ] - [ 0.0000151400000000, -0.0000087400000000, 0.0002498300000000 ] - [ 0.0000000000000000, -0.0001800300000000, 0.0006079400000000 ] - [ -0.0000920200000000, 0.0000531300000000, 0.0004861400000000 ] - [ 0.0000000000000000, 0.0000858600000000, 0.0004473200000000 ] - [ 0.0000920200000000, 0.0000531300000000, 0.0004861400000000 ] - [ -0.0000743600000000, -0.0000429300000000, 0.0004473200000000 ] - [ 0.0000000000000000, -0.0001062500000000, 0.0004861400000000 ] - [ 0.0000743600000000, -0.0000429300000000, 0.0004473200000000 ] - [ 0.0000000000000000, -0.0000096700000000, 0.0007632300000000 ] - [ -0.0000877200000000, 0.0000506500000000, 0.0004423400000000 ] - [ 0.0000877200000000, 0.0000506500000000, 0.0004423400000000 ] - [ 0.0000083800000000, 0.0000048400000000, 0.0007632300000000 ] - [ -0.0000083800000000, 0.0000048400000000, 0.0007632300000000 ] - [ 0.0000000000000000, -0.0001012900000000, 0.0004423400000000 ] - [ 0.0000062900000000, -0.0000036300000000, 0.0005886800000000 ] - [ 0.0000000000000000, -0.0001271400000000, 0.0007713200000000 ] - [ 0.0001101100000000, 0.0000635700000000, 0.0007713200000000 ] - [ -0.0000062900000000, -0.0000036300000000, 0.0005886800000000 ] - [ -0.0001101100000000, 0.0000635700000000, 0.0007713200000000 ] - [ 0.0000000000000000, 0.0000072600000000, 0.0005886800000000 ] - [ -0.0002845200000000, 0.0001642700000000, 0.0006410400000000 ] - [ 0.0000000000000000, -0.0000636400000000, 0.0005322100000000 ] - [ 0.0002845200000000, 0.0001642700000000, 0.0006410400000000 ] - [ 0.0000551200000000, 0.0000318200000000, 0.0005322100000000 ] - [ -0.0000551200000000, 0.0000318200000000, 0.0005322100000000 ] - [ 0.0000000000000000, -0.0003285400000000, 0.0006410400000000 ] - [ -0.0001563300000000, 0.0000902600000000, 0.0006081500000000 ] - [ 0.0000000000000000, 0.0000189000000000, 0.0002449200000000 ] - [ 0.0001563300000000, 0.0000902600000000, 0.0006081500000000 ] - [ -0.0000163700000000, -0.0000094500000000, 0.0002449200000000 ] - [ 0.0000163700000000, -0.0000094500000000, 0.0002449200000000 ] - [ 0.0000000000000000, -0.0001805100000000, 0.0006081500000000 ] - [ -0.0000899600000000, 0.0000519400000000, 0.0004806900000000 ] - [ 0.0000000000000000, 0.0000846700000000, 0.0004481200000000 ] - [ 0.0000899600000000, 0.0000519400000000, 0.0004806900000000 ] - [ -0.0000733200000000, -0.0000423300000000, 0.0004481200000000 ] - [ 0.0000000000000000, -0.0001038800000000, 0.0004806900000000 ] - [ 0.0000733200000000, -0.0000423300000000, 0.0004481200000000 ] - [ 0.0000000000000000, -0.0000105600000000, 0.0007651100000000 ] - [ -0.0000852800000000, 0.0000492400000000, 0.0004367100000000 ] - [ 0.0000852800000000, 0.0000492400000000, 0.0004367100000000 ] - [ 0.0000091500000000, 0.0000052800000000, 0.0007651100000000 ] - [ -0.0000091500000000, 0.0000052800000000, 0.0007651100000000 ] - [ 0.0000000000000000, -0.0000984700000000, 0.0004367100000000 ] - [ 0.0000090500000000, -0.0000052300000000, 0.0005854800000000 ] - [ 0.0000000000000000, -0.0001287700000000, 0.0007742200000000 ] - [ 0.0001115200000000, 0.0000643800000000, 0.0007742200000000 ] - [ -0.0000090500000000, -0.0000052300000000, 0.0005854800000000 ] - [ -0.0001115200000000, 0.0000643800000000, 0.0007742200000000 ] - [ 0.0000000000000000, 0.0000104500000000, 0.0005854800000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008400000000, -0.0000000800000000, 0.0001171100000000 ] - [ -0.0000002600000000, 0.0000001200000000, -0.0000741200000000 ] - [ -0.0000002700000000, 0.0000000400000000, -0.0001453400000000 ] - [ 0.0002193800000000, -0.0000004900000000, 0.0000699400000000 ] - [ -0.0256176000000000, 0.0000240700000000, 0.0001192600000000 ] - [ -0.0000001300000000, 0.0000000000000000, 0.0001208500000000 ] - [ -0.0000001500000000, 0.0000001900000000, -0.0000714700000000 ] - [ -0.0000001700000000, 0.0000000700000000, -0.0001487900000000 ] - [ -0.0000006500000000, 0.0000000900000000, 0.0000688000000000 ] - [ 0.0000000900000000, -0.0000000600000000, 0.0001392900000000 ] - [ 0.0001785200000000, 0.0000002800000000, 0.0001215100000000 ] - [ -0.0000116300000000, 0.0000002000000000, -0.0000705400000000 ] - [ -0.0000000400000000, -0.0000000500000000, -0.0001457700000000 ] - [ 0.0000004700000000, -0.0000000200000000, 0.0000695500000000 ] - [ 0.0000000200000000, 0.0000000000000000, 0.0001405300000000 ] - [ 0.0034674000000000, -0.0000289500000000, 0.0000888200000000 ] - [ -0.0000001400000000, 0.0000000400000000, -0.0000515700000000 ] - [ 0.0000019800000000, -0.0000002100000000, 0.0000123200000000 ] - [ -0.0000208800000000, 0.0000001200000000, 0.0000594900000000 ] - [ 0.0033575200000000, 0.0000265100000000, -0.0001958800000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0001169100000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0000580700000000 ] - [ -0.0000000400000000, -0.0000000700000000, 0.0000053400000000 ] - [ 0.0000003900000000, -0.0000002000000000, 0.0000569700000000 ] - [ 0.0000007000000000, 0.0000001700000000, -0.0002190300000000 ] - [ 0.0000002800000000, -0.0000002000000000, 0.0001174700000000 ] - [ 0.0000028300000000, -0.0000000300000000, -0.0000517000000000 ] - [ -0.0000003000000000, 0.0000000100000000, 0.0000098700000000 ] - [ 0.0000002000000000, -0.0000001400000000, 0.0000618000000000 ] - [ 0.0000001500000000, 0.0000000600000000, -0.0002230600000000 ] - [ 0.0000006400000000, -0.0000003700000000, -0.0000082100000000 ] - [ -0.0000004400000000, 0.0000004600000000, -0.0002153100000000 ] - [ -0.0000007600000000, -0.0000015000000000, 0.0000524800000000 ] - [ -0.0010284000000000, 0.0000019500000000, -0.0002197300000000 ] - [ 0.0037493800000000, 0.0000337800000000, -0.0000532700000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0000066700000000 ] - [ -0.0000005200000000, 0.0000002800000000, -0.0002170100000000 ] - [ 0.0000027000000000, -0.0000014500000000, 0.0000493800000000 ] - [ 0.0000003300000000, -0.0000000900000000, -0.0002134600000000 ] - [ -0.0000006200000000, 0.0000002500000000, -0.0000318600000000 ] - [ -0.0000039600000000, -0.0000004500000000, -0.0000050700000000 ] - [ -0.0000006500000000, 0.0000003200000000, -0.0002148600000000 ] - [ 0.0000030600000000, -0.0000016600000000, 0.0000509700000000 ] - [ 0.0000001800000000, 0.0000000200000000, -0.0002155800000000 ] - [ -0.0000007300000000, 0.0000003300000000, -0.0000309100000000 ] - [ 0.0000000700000000, -0.0000000100000000, 0.0004633200000000 ] - [ 0.0000001300000000, -0.0000002500000000, -0.0004690900000000 ] - [ 0.0000825300000000, -0.0000005500000000, 0.0003410800000000 ] - [ 0.0000001000000000, -0.0000000200000000, -0.0006546500000000 ] - [ 0.0073081300000000, -0.0000681000000000, 0.0003892700000000 ] - [ -0.0000003400000000, 0.0000003000000000, 0.0004726600000000 ] - [ 0.0000007100000000, -0.0000005900000000, -0.0004560600000000 ] - [ -0.0000000400000000, -0.0000001000000000, 0.0003398900000000 ] - [ -0.0000003700000000, 0.0000003400000000, -0.0006665200000000 ] - [ -0.0000008000000000, 0.0000004400000000, 0.0003488800000000 ] - [ -0.0022818500000000, -0.0000035200000000, 0.0004862000000000 ] - [ 0.0001037400000000, 0.0000000500000000, -0.0004566000000000 ] - [ -0.0000004300000000, 0.0000001600000000, 0.0003462700000000 ] - [ -0.0000005100000000, 0.0000006600000000, -0.0006547100000000 ] - [ 0.0000000500000000, -0.0000000200000000, 0.0003536500000000 ] - [ 0.0010728500000000, -0.0001028500000000, -0.0001637100000000 ] - [ -0.0000009200000000, 0.0000520100000000, -0.0000438100000000 ] - [ 0.0014821200000000, 0.0003333600000000, 0.0004152900000000 ] - [ -0.0000454300000000, -0.0000253900000000, -0.0000446200000000 ] - [ 0.0000459300000000, -0.0000265200000000, -0.0000431800000000 ] - [ 0.0008998300000000, -0.0002142100000000, 0.0001458700000000 ] - [ -0.0001334700000000, 0.0000771300000000, 0.0000537500000000 ] - [ 0.0000003700000000, 0.0001256400000000, -0.0002242700000000 ] - [ 0.0001310100000000, 0.0000756800000000, 0.0000516700000000 ] - [ -0.0001084700000000, -0.0000630700000000, -0.0002249600000000 ] - [ 0.0001104400000000, -0.0000638000000000, -0.0002262600000000 ] - [ 0.0000000100000000, -0.0001513100000000, 0.0000524700000000 ] - [ -0.0001111000000000, 0.0000640600000000, -0.0001345800000000 ] - [ 0.0000010900000000, 0.0000587700000000, -0.0000886700000000 ] - [ 0.0001095700000000, 0.0000640400000000, -0.0001357000000000 ] - [ -0.0000504000000000, -0.0000298400000000, -0.0000901400000000 ] - [ -0.0000007600000000, -0.0001268800000000, -0.0001361600000000 ] - [ 0.0000471800000000, -0.0000266400000000, -0.0000846400000000 ] - [ 0.0001976100000000, -0.0000123900000000, 0.0001885100000000 ] - [ -0.0000388700000000, 0.0000166400000000, -0.0000862200000000 ] - [ 0.0000443700000000, 0.0000317500000000, -0.0000504300000000 ] - [ -0.0000147900000000, -0.0001224700000000, 0.0000497500000000 ] - [ -0.0000377200000000, 0.0001360200000000, 0.0003325000000000 ] - [ -0.0000103200000000, -0.0000500900000000, -0.0000678100000000 ] - [ 0.0004541600000000, 0.0002123000000000, 0.0007660800000000 ] - [ 0.0018985000000000, -0.0001337200000000, 0.0001691900000000 ] - [ 0.0018486700000000, -0.0000257700000000, 0.0003766000000000 ] - [ 0.0002088600000000, -0.0003487100000000, -0.0004959300000000 ] - [ 0.0015962000000000, 0.0001728600000000, -0.0000217800000000 ] - [ 0.0008174400000000, 0.0001191800000000, 0.0001138400000000 ] - [ -0.0001855300000000, 0.0001070600000000, 0.0001490000000000 ] - [ -0.0000008300000000, 0.0000548900000000, -0.0000486000000000 ] - [ 0.0001873500000000, 0.0001071000000000, 0.0001506300000000 ] - [ -0.0000478600000000, -0.0000268800000000, -0.0000494100000000 ] - [ 0.0000487200000000, -0.0000281000000000, -0.0000482800000000 ] - [ 0.0000009300000000, -0.0002156700000000, 0.0001507900000000 ] - [ -0.0001324900000000, 0.0000765600000000, 0.0000504300000000 ] - [ 0.0000004500000000, 0.0001273100000000, -0.0002230600000000 ] - [ 0.0001296900000000, 0.0000749900000000, 0.0000480900000000 ] - [ -0.0001098100000000, -0.0000639200000000, -0.0002236800000000 ] - [ 0.0001121600000000, -0.0000647800000000, -0.0002252000000000 ] - [ -0.0000000500000000, -0.0001498400000000, 0.0000489700000000 ] - [ -0.0001153000000000, 0.0000665700000000, -0.0001271700000000 ] - [ 0.0000000400000000, 0.0000587300000000, -0.0000862100000000 ] - [ 0.0001139200000000, 0.0000665100000000, -0.0001285300000000 ] - [ -0.0000508100000000, -0.0000294400000000, -0.0000859600000000 ] - [ -0.0000006700000000, -0.0001319500000000, -0.0001287400000000 ] - [ 0.0000466200000000, -0.0000268700000000, -0.0000839600000000 ] - [ -0.0000008100000000, -0.0000111300000000, 0.0001908500000000 ] - [ -0.0000401900000000, 0.0000232200000000, -0.0000678800000000 ] - [ 0.0000437500000000, 0.0000254600000000, -0.0000656600000000 ] - [ 0.0000089300000000, 0.0000061400000000, 0.0001910200000000 ] - [ -0.0000114900000000, 0.0000066800000000, 0.0001933200000000 ] - [ -0.0000001400000000, -0.0000504600000000, -0.0000663000000000 ] - [ 0.0000986900000000, -0.0000570400000000, 0.0001146800000000 ] - [ -0.0000002600000000, -0.0001409400000000, 0.0001707700000000 ] - [ 0.0001217300000000, 0.0000707200000000, 0.0001711900000000 ] - [ -0.0000959500000000, -0.0000560200000000, 0.0001166500000000 ] - [ -0.0001229600000000, 0.0000711300000000, 0.0001722100000000 ] - [ 0.0000005000000000, 0.0001112500000000, 0.0001172400000000 ] - [ -0.0001833300000000, 0.0001057400000000, 0.0001457900000000 ] - [ 0.0002534600000000, 0.0000552600000000, -0.0000464600000000 ] - [ 0.0001851700000000, 0.0001058500000000, 0.0001473800000000 ] - [ -0.0001334200000000, -0.0002225600000000, -0.0002539800000000 ] - [ -0.0000351800000000, 0.0001676600000000, 0.0001571600000000 ] - [ 0.0000008700000000, -0.0002131300000000, 0.0001475300000000 ] - [ -0.0001293600000000, 0.0000678100000000, 0.0000296200000000 ] - [ 0.0000013600000000, 0.0001288700000000, -0.0002270600000000 ] - [ 0.0001318600000000, 0.0000829800000000, 0.0000680600000000 ] - [ -0.0001112300000000, -0.0000652600000000, -0.0002287100000000 ] - [ 0.0001135200000000, -0.0000650300000000, -0.0002281400000000 ] - [ -0.0000119100000000, -0.0001494200000000, 0.0000486000000000 ] - [ -0.0001134000000000, 0.0000654100000000, -0.0001332200000000 ] - [ -0.0000000100000000, 0.0000579400000000, -0.0000861000000000 ] - [ 0.0001123000000000, 0.0000655200000000, -0.0001340700000000 ] - [ -0.0000501700000000, -0.0000289900000000, -0.0000857900000000 ] - [ -0.0000006800000000, -0.0001300500000000, -0.0001344300000000 ] - [ 0.0000458200000000, -0.0000264100000000, -0.0000837600000000 ] - [ -0.0000007700000000, -0.0000131300000000, 0.0001931300000000 ] - [ -0.0000371800000000, 0.0000214300000000, -0.0000739000000000 ] - [ 0.0000406900000000, 0.0000237400000000, -0.0000717600000000 ] - [ 0.0000107200000000, 0.0000070900000000, 0.0001933600000000 ] - [ -0.0000129800000000, 0.0000075000000000, 0.0001954500000000 ] - [ -0.0000002400000000, -0.0000469800000000, -0.0000723200000000 ] - [ 0.0001021100000000, -0.0000590400000000, 0.0001105400000000 ] - [ -0.0000003900000000, -0.0001430200000000, 0.0001735300000000 ] - [ 0.0001234900000000, 0.0000718500000000, 0.0001739700000000 ] - [ -0.0000994700000000, -0.0000581000000000, 0.0001124700000000 ] - [ -0.0001251300000000, 0.0000723400000000, 0.0001752600000000 ] - [ 0.0000005200000000, 0.0001153600000000, 0.0001130300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006577600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004807900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0320659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003938100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006128500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056139100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012365000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013452200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011600100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012263500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011679800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012316100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009929400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005014700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004855300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004810200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003027700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006360300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012041600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0127933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005345400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012904200000000 ] - [ -0.0001776800000000, 0.0001025900000000, 0.0034917600000000 ] - [ 0.0000000000000000, 0.0001659600000000, -0.0006047400000000 ] - [ 0.0001776800000000, 0.0001025900000000, 0.0034917600000000 ] - [ -0.0001437300000000, -0.0000829800000000, -0.0006047400000000 ] - [ 0.0001437300000000, -0.0000829800000000, -0.0006047400000000 ] - [ 0.0000000000000000, -0.0002051700000000, 0.0034917600000000 ] - [ -0.0000775700000000, 0.0000447900000000, -0.0005382900000000 ] - [ 0.0000000000000000, 0.0002085300000000, -0.0007005700000000 ] - [ 0.0000775700000000, 0.0000447900000000, -0.0005382900000000 ] - [ -0.0001805900000000, -0.0001042700000000, -0.0007005700000000 ] - [ 0.0001805900000000, -0.0001042700000000, -0.0007005700000000 ] - [ 0.0000000000000000, -0.0000895700000000, -0.0005382900000000 ] - [ -0.0001120300000000, 0.0000646800000000, -0.0007403300000000 ] - [ 0.0000000000000000, 0.0000270800000000, -0.0005904800000000 ] - [ 0.0001120300000000, 0.0000646800000000, -0.0007403300000000 ] - [ -0.0000234600000000, -0.0000135400000000, -0.0005904800000000 ] - [ 0.0000000000000000, -0.0001293600000000, -0.0007403300000000 ] - [ 0.0000234600000000, -0.0000135400000000, -0.0005904800000000 ] - [ 0.0000000000000000, 0.0002858400000000, -0.0002988300000000 ] - [ -0.0000127100000000, 0.0000073400000000, -0.0005750800000000 ] - [ 0.0000127100000000, 0.0000073400000000, -0.0005750800000000 ] - [ -0.0002475500000000, -0.0001429200000000, -0.0002988300000000 ] - [ 0.0002475500000000, -0.0001429200000000, -0.0002988300000000 ] - [ 0.0000000000000000, -0.0000146700000000, -0.0005750800000000 ] - [ -0.0006089800000000, 0.0003516000000000, 0.0047522400000000 ] - [ 0.0000000000000000, -0.0006755300000000, 0.0099802500000000 ] - [ 0.0005850300000000, 0.0003377700000000, 0.0099802500000000 ] - [ 0.0006089800000000, 0.0003516000000000, 0.0047522400000000 ] - [ -0.0005850300000000, 0.0003377700000000, 0.0099802500000000 ] - [ 0.0000000000000000, -0.0007031900000000, 0.0047522400000000 ] - [ -0.0001040700000000, 0.0000600800000000, -0.0003118000000000 ] - [ 0.0000000000000000, 0.0001692900000000, -0.0006091500000000 ] - [ 0.0001040700000000, 0.0000600800000000, -0.0003118000000000 ] - [ -0.0001466100000000, -0.0000846500000000, -0.0006091500000000 ] - [ 0.0001466100000000, -0.0000846500000000, -0.0006091500000000 ] - [ 0.0000000000000000, -0.0001201700000000, -0.0003118000000000 ] - [ -0.0000740300000000, 0.0000427400000000, -0.0005447100000000 ] - [ 0.0000000000000000, 0.0002045900000000, -0.0006969900000000 ] - [ 0.0000740300000000, 0.0000427400000000, -0.0005447100000000 ] - [ -0.0001771800000000, -0.0001022900000000, -0.0006969900000000 ] - [ 0.0001771800000000, -0.0001022900000000, -0.0006969900000000 ] - [ 0.0000000000000000, -0.0000854900000000, -0.0005447100000000 ] - [ -0.0001121700000000, 0.0000647600000000, -0.0007342500000000 ] - [ 0.0000000000000000, 0.0000247900000000, -0.0005877200000000 ] - [ 0.0001121700000000, 0.0000647600000000, -0.0007342500000000 ] - [ -0.0000214700000000, -0.0000124000000000, -0.0005877200000000 ] - [ 0.0000000000000000, -0.0001295200000000, -0.0007342500000000 ] - [ 0.0000214700000000, -0.0000124000000000, -0.0005877200000000 ] - [ 0.0000000000000000, 0.0000080300000000, -0.0004171800000000 ] - [ -0.0000054500000000, 0.0000031500000000, -0.0005676900000000 ] - [ 0.0000054500000000, 0.0000031500000000, -0.0005676900000000 ] - [ -0.0000069500000000, -0.0000040100000000, -0.0004171800000000 ] - [ 0.0000069500000000, -0.0000040100000000, -0.0004171800000000 ] - [ 0.0000000000000000, -0.0000063000000000, -0.0005676900000000 ] - [ 0.0001706900000000, -0.0000985500000000, -0.0003578000000000 ] - [ 0.0000000000000000, -0.0001385600000000, -0.0004347100000000 ] - [ 0.0001200000000000, 0.0000692800000000, -0.0004347100000000 ] - [ -0.0001706900000000, -0.0000985500000000, -0.0003578000000000 ] - [ -0.0001200000000000, 0.0000692800000000, -0.0004347100000000 ] - [ 0.0000000000000000, 0.0001971000000000, -0.0003578000000000 ] - [ -0.0001032500000000, 0.0000596100000000, -0.0003136100000000 ] - [ 0.0000000000000000, 0.0006131900000000, -0.0004543500000000 ] - [ 0.0001032500000000, 0.0000596100000000, -0.0003136100000000 ] - [ -0.0005310400000000, -0.0003065900000000, -0.0004543500000000 ] - [ 0.0005310400000000, -0.0003065900000000, -0.0004543500000000 ] - [ 0.0000000000000000, -0.0001192300000000, -0.0003136100000000 ] - [ -0.0000808000000000, 0.0000466500000000, -0.0005475900000000 ] - [ 0.0000000000000000, 0.0002101500000000, -0.0007009300000000 ] - [ 0.0000808000000000, 0.0000466500000000, -0.0005475900000000 ] - [ -0.0001820000000000, -0.0001050800000000, -0.0007009300000000 ] - [ 0.0001820000000000, -0.0001050800000000, -0.0007009300000000 ] - [ 0.0000000000000000, -0.0000933000000000, -0.0005475900000000 ] - [ -0.0001123800000000, 0.0000648800000000, -0.0007411800000000 ] - [ 0.0000000000000000, 0.0000239600000000, -0.0005901200000000 ] - [ 0.0001123800000000, 0.0000648800000000, -0.0007411800000000 ] - [ -0.0000207500000000, -0.0000119800000000, -0.0005901200000000 ] - [ 0.0000000000000000, -0.0001297600000000, -0.0007411800000000 ] - [ 0.0000207500000000, -0.0000119800000000, -0.0005901200000000 ] - [ 0.0000000000000000, 0.0000068400000000, -0.0004142800000000 ] - [ -0.0000030800000000, 0.0000017800000000, -0.0005727400000000 ] - [ 0.0000030800000000, 0.0000017800000000, -0.0005727400000000 ] - [ -0.0000059200000000, -0.0000034200000000, -0.0004142800000000 ] - [ 0.0000059200000000, -0.0000034200000000, -0.0004142800000000 ] - [ 0.0000000000000000, -0.0000035500000000, -0.0005727400000000 ] - [ 0.0001733700000000, -0.0001001000000000, -0.0003609300000000 ] - [ 0.0000000000000000, -0.0001395300000000, -0.0004327400000000 ] - [ 0.0001208300000000, 0.0000697600000000, -0.0004327400000000 ] - [ -0.0001733700000000, -0.0001001000000000, -0.0003609300000000 ] - [ -0.0001208300000000, 0.0000697600000000, -0.0004327400000000 ] - [ 0.0000000000000000, 0.0002001900000000, -0.0003609300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006861800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323689700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004174600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006287500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006898100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005266500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006865500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012046200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011062400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014392500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014417000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005210800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007294000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068948600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005199300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007331400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007294900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0134050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005899400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005855400000000 ] - [ -0.0002810400000000, 0.0001622600000000, -0.0033389600000000 ] - [ 0.0000000000000000, -0.0000624200000000, 0.0005253100000000 ] - [ 0.0002810400000000, 0.0001622600000000, -0.0033389600000000 ] - [ 0.0000540600000000, 0.0000312100000000, 0.0005253100000000 ] - [ -0.0000540600000000, 0.0000312100000000, 0.0005253100000000 ] - [ 0.0000000000000000, -0.0003245100000000, -0.0033389600000000 ] - [ -0.0001730200000000, 0.0000999000000000, 0.0006281100000000 ] - [ 0.0000000000000000, 0.0000310300000000, 0.0002489200000000 ] - [ 0.0001730200000000, 0.0000999000000000, 0.0006281100000000 ] - [ -0.0000268700000000, -0.0000155100000000, 0.0002489200000000 ] - [ 0.0000268700000000, -0.0000155100000000, 0.0002489200000000 ] - [ 0.0000000000000000, -0.0001997900000000, 0.0006281100000000 ] - [ -0.0000981400000000, 0.0000566600000000, 0.0004706100000000 ] - [ 0.0000000000000000, 0.0000848200000000, 0.0004241700000000 ] - [ 0.0000981400000000, 0.0000566600000000, 0.0004706100000000 ] - [ -0.0000734500000000, -0.0000424100000000, 0.0004241700000000 ] - [ 0.0000000000000000, -0.0001133200000000, 0.0004706100000000 ] - [ 0.0000734500000000, -0.0000424100000000, 0.0004241700000000 ] - [ 0.0000000000000000, -0.0002926200000000, 0.0006614300000000 ] - [ -0.0000784400000000, 0.0000452900000000, 0.0004457800000000 ] - [ 0.0000784400000000, 0.0000452900000000, 0.0004457800000000 ] - [ 0.0002534100000000, 0.0001463100000000, 0.0006614300000000 ] - [ -0.0002534100000000, 0.0001463100000000, 0.0006614300000000 ] - [ 0.0000000000000000, -0.0000905800000000, 0.0004457800000000 ] - [ 0.0008810300000000, -0.0005086600000000, -0.0043558000000000 ] - [ 0.0000000000000000, 0.0003951400000000, -0.0096328500000000 ] - [ -0.0003422000000000, -0.0001975700000000, -0.0096328500000000 ] - [ -0.0008810300000000, -0.0005086600000000, -0.0043558000000000 ] - [ 0.0003422000000000, -0.0001975700000000, -0.0096328500000000 ] - [ 0.0000000000000000, 0.0010173200000000, -0.0043558000000000 ] - [ -0.0002767700000000, 0.0001597900000000, 0.0006257100000000 ] - [ 0.0000000000000000, -0.0000598500000000, 0.0005210900000000 ] - [ 0.0002767700000000, 0.0001597900000000, 0.0006257100000000 ] - [ 0.0000518300000000, 0.0000299200000000, 0.0005210900000000 ] - [ -0.0000518300000000, 0.0000299200000000, 0.0005210900000000 ] - [ 0.0000000000000000, -0.0003195900000000, 0.0006257100000000 ] - [ -0.0001711300000000, 0.0000988000000000, 0.0006231100000000 ] - [ 0.0000000000000000, 0.0000286400000000, 0.0002523300000000 ] - [ 0.0001711300000000, 0.0000988000000000, 0.0006231100000000 ] - [ -0.0000248000000000, -0.0000143200000000, 0.0002523300000000 ] - [ 0.0000248000000000, -0.0000143200000000, 0.0002523300000000 ] - [ 0.0000000000000000, -0.0001976100000000, 0.0006231100000000 ] - [ -0.0000994600000000, 0.0000574200000000, 0.0004753300000000 ] - [ 0.0000000000000000, 0.0000867100000000, 0.0004277700000000 ] - [ 0.0000994600000000, 0.0000574200000000, 0.0004753300000000 ] - [ -0.0000750900000000, -0.0000433600000000, 0.0004277700000000 ] - [ 0.0000000000000000, -0.0001148500000000, 0.0004753300000000 ] - [ 0.0000750900000000, -0.0000433600000000, 0.0004277700000000 ] - [ 0.0000000000000000, -0.0000177700000000, 0.0007822600000000 ] - [ -0.0000861800000000, 0.0000497600000000, 0.0004408800000000 ] - [ 0.0000861800000000, 0.0000497600000000, 0.0004408800000000 ] - [ 0.0000153900000000, 0.0000088800000000, 0.0007822600000000 ] - [ -0.0000153900000000, 0.0000088800000000, 0.0007822600000000 ] - [ 0.0000000000000000, -0.0000995100000000, 0.0004408800000000 ] - [ 0.0000138700000000, -0.0000080100000000, 0.0005898000000000 ] - [ 0.0000000000000000, -0.0001344000000000, 0.0007724200000000 ] - [ 0.0001164000000000, 0.0000672000000000, 0.0007724200000000 ] - [ -0.0000138700000000, -0.0000080100000000, 0.0005898000000000 ] - [ -0.0001164000000000, 0.0000672000000000, 0.0007724200000000 ] - [ 0.0000000000000000, 0.0000160200000000, 0.0005898000000000 ] - [ -0.0002748800000000, 0.0001587000000000, 0.0006230000000000 ] - [ 0.0000000000000000, -0.0005099200000000, 0.0003665000000000 ] - [ 0.0002748800000000, 0.0001587000000000, 0.0006230000000000 ] - [ 0.0004416000000000, 0.0002549600000000, 0.0003665000000000 ] - [ -0.0004416000000000, 0.0002549600000000, 0.0003665000000000 ] - [ 0.0000000000000000, -0.0003174100000000, 0.0006230000000000 ] - [ -0.0001643400000000, 0.0000948800000000, 0.0006256200000000 ] - [ 0.0000000000000000, 0.0000293600000000, 0.0002452000000000 ] - [ 0.0001643400000000, 0.0000948800000000, 0.0006256200000000 ] - [ -0.0000254300000000, -0.0000146800000000, 0.0002452000000000 ] - [ 0.0000254300000000, -0.0000146800000000, 0.0002452000000000 ] - [ 0.0000000000000000, -0.0001897600000000, 0.0006256200000000 ] - [ -0.0000976800000000, 0.0000563900000000, 0.0004722300000000 ] - [ 0.0000000000000000, 0.0000854800000000, 0.0004311100000000 ] - [ 0.0000976800000000, 0.0000563900000000, 0.0004722300000000 ] - [ -0.0000740300000000, -0.0000427400000000, 0.0004311100000000 ] - [ 0.0000000000000000, -0.0001127900000000, 0.0004722300000000 ] - [ 0.0000740300000000, -0.0000427400000000, 0.0004311100000000 ] - [ 0.0000000000000000, -0.0000183700000000, 0.0007826700000000 ] - [ -0.0000841200000000, 0.0000485600000000, 0.0004353400000000 ] - [ 0.0000841200000000, 0.0000485600000000, 0.0004353400000000 ] - [ 0.0000159100000000, 0.0000091800000000, 0.0007826700000000 ] - [ -0.0000159100000000, 0.0000091800000000, 0.0007826700000000 ] - [ 0.0000000000000000, -0.0000971300000000, 0.0004353400000000 ] - [ 0.0000162700000000, -0.0000094000000000, 0.0005860800000000 ] - [ 0.0000000000000000, -0.0001352700000000, 0.0007745000000000 ] - [ 0.0001171500000000, 0.0000676300000000, 0.0007745000000000 ] - [ -0.0000162700000000, -0.0000094000000000, 0.0005860800000000 ] - [ -0.0001171500000000, 0.0000676300000000, 0.0007745000000000 ] - [ 0.0000000000000000, 0.0000187900000000, 0.0005860800000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006600000000, -0.0000000900000000, 0.0001168700000000 ] - [ 0.0000002100000000, 0.0000001100000000, -0.0000745300000000 ] - [ 0.0000000100000000, 0.0000000400000000, -0.0001455900000000 ] - [ -0.0000341500000000, 0.0000001400000000, 0.0000702200000000 ] - [ 0.0034673100000000, 0.0000300700000000, 0.0001683800000000 ] - [ 0.0000001800000000, -0.0000000200000000, 0.0001206300000000 ] - [ -0.0000007600000000, 0.0000001800000000, -0.0000718800000000 ] - [ -0.0000000500000000, 0.0000000600000000, -0.0001490400000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0000685200000000 ] - [ -0.0000000100000000, -0.0000000900000000, 0.0001388000000000 ] - [ 0.0023653400000000, -0.0000207000000000, 0.0000988700000000 ] - [ 0.0003969100000000, 0.0000013400000000, -0.0000703600000000 ] - [ 0.0000016100000000, -0.0000000400000000, -0.0001460200000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0000692400000000 ] - [ 0.0000001500000000, 0.0000000100000000, 0.0001400200000000 ] - [ -0.0391462900000000, -0.0000251300000000, 0.0001313100000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0000518500000000 ] - [ -0.0000004800000000, -0.0000001900000000, 0.0000129000000000 ] - [ 0.0000086500000000, 0.0000000300000000, 0.0000578300000000 ] - [ 0.0012594000000000, -0.0000038000000000, -0.0002215600000000 ] - [ -0.0000002700000000, 0.0000000300000000, 0.0001155100000000 ] - [ 0.0000003800000000, -0.0000001600000000, -0.0000578300000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0000056500000000 ] - [ 0.0000003800000000, -0.0000001900000000, 0.0000554700000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0002214600000000 ] - [ 0.0000001200000000, -0.0000001900000000, 0.0001161100000000 ] - [ -0.0000620200000000, -0.0000002200000000, -0.0000517900000000 ] - [ -0.0000008500000000, 0.0000000100000000, 0.0000105200000000 ] - [ 0.0000001500000000, -0.0000001400000000, 0.0000600600000000 ] - [ -0.0000000500000000, 0.0000000600000000, -0.0002241500000000 ] - [ 0.0000006800000000, -0.0000003300000000, -0.0000081500000000 ] - [ -0.0000010600000000, 0.0000004400000000, -0.0002152300000000 ] - [ 0.0000040000000000, -0.0000015400000000, 0.0000525600000000 ] - [ 0.0001478600000000, -0.0000003100000000, -0.0002129600000000 ] - [ 0.0085677400000000, -0.0000859800000000, 0.0000174800000000 ] - [ 0.0000005100000000, -0.0000002500000000, -0.0000067400000000 ] - [ -0.0000005600000000, 0.0000002600000000, -0.0002167700000000 ] - [ 0.0000027100000000, -0.0000014800000000, 0.0000493600000000 ] - [ 0.0000003300000000, -0.0000000800000000, -0.0002143000000000 ] - [ -0.0000005900000000, 0.0000002500000000, -0.0000320200000000 ] - [ 0.0001017800000000, -0.0000000800000000, -0.0000055100000000 ] - [ 0.0000002000000000, 0.0000003100000000, -0.0002145200000000 ] - [ 0.0000029700000000, -0.0000016900000000, 0.0000509600000000 ] - [ 0.0000001900000000, 0.0000000200000000, -0.0002164400000000 ] - [ -0.0000007200000000, 0.0000003200000000, -0.0000309900000000 ] - [ 0.0000003100000000, -0.0000000100000000, 0.0004635400000000 ] - [ 0.0000002600000000, -0.0000002200000000, -0.0004682000000000 ] - [ -0.0000357200000000, -0.0000000500000000, 0.0003391200000000 ] - [ 0.0000002500000000, -0.0000000500000000, -0.0006550000000000 ] - [ -0.0056473900000000, 0.0000113100000000, 0.0003244300000000 ] - [ -0.0000003100000000, 0.0000003200000000, 0.0004729600000000 ] - [ 0.0000010600000000, -0.0000005900000000, -0.0004554800000000 ] - [ 0.0000003600000000, -0.0000000600000000, 0.0003384900000000 ] - [ -0.0000003300000000, 0.0000002900000000, -0.0006670600000000 ] - [ -0.0000007600000000, 0.0000004400000000, 0.0003480800000000 ] - [ 0.0140787700000000, 0.0001542400000000, 0.0003838000000000 ] - [ -0.0040948800000000, -0.0000092300000000, -0.0004355500000000 ] - [ -0.0000001000000000, 0.0000002100000000, 0.0003452500000000 ] - [ -0.0000168800000000, 0.0000005600000000, -0.0006551700000000 ] - [ -0.0000001000000000, -0.0000000300000000, 0.0003527400000000 ] - [ 0.0024724700000000, -0.0016992600000000, -0.0003949600000000 ] - [ -0.0000009000000000, 0.0000528000000000, -0.0000421300000000 ] - [ 0.0028318600000000, 0.0019029200000000, 0.0006817700000000 ] - [ -0.0000462300000000, -0.0000258400000000, -0.0000430200000000 ] - [ 0.0000466100000000, -0.0000268900000000, -0.0000414700000000 ] - [ -0.0004620800000000, -0.0002441900000000, 0.0001611700000000 ] - [ -0.0001323600000000, 0.0000764200000000, 0.0000509500000000 ] - [ 0.0000003400000000, 0.0001255000000000, -0.0002261600000000 ] - [ 0.0001304700000000, 0.0000753800000000, 0.0000478500000000 ] - [ -0.0001085100000000, -0.0000630700000000, -0.0002269600000000 ] - [ 0.0001103900000000, -0.0000637800000000, -0.0002283000000000 ] - [ 0.0000002100000000, -0.0001503900000000, 0.0000491800000000 ] - [ -0.0001104400000000, 0.0000638200000000, -0.0001334300000000 ] - [ 0.0000004800000000, 0.0000584600000000, -0.0000872400000000 ] - [ 0.0001091400000000, 0.0000637200000000, -0.0001349000000000 ] - [ -0.0000504600000000, -0.0000298600000000, -0.0000861000000000 ] - [ -0.0000005800000000, -0.0001261600000000, -0.0001353100000000 ] - [ 0.0000465200000000, -0.0000262700000000, -0.0000857900000000 ] - [ -0.0000216300000000, -0.0000094300000000, 0.0001885900000000 ] - [ -0.0000416000000000, 0.0000266300000000, -0.0000619200000000 ] - [ 0.0000440000000000, 0.0000230400000000, -0.0000699300000000 ] - [ -0.0000042100000000, 0.0000106700000000, 0.0002730900000000 ] - [ -0.0000215300000000, 0.0000005400000000, 0.0001060600000000 ] - [ 0.0000043100000000, -0.0000514200000000, -0.0000655200000000 ] - [ 0.0000088000000000, 0.0003496200000000, 0.0006175500000000 ] - [ 0.0019690500000000, -0.0001359400000000, 0.0001827100000000 ] - [ 0.0031263900000000, 0.0006752800000000, 0.0008397500000000 ] - [ -0.0001825300000000, -0.0004641800000000, -0.0003923200000000 ] - [ 0.0029927800000000, -0.0005841400000000, -0.0003832200000000 ] - [ 0.0006178900000000, 0.0001117000000000, 0.0001112400000000 ] - [ -0.0001864100000000, 0.0001075800000000, 0.0001522700000000 ] - [ -0.0000008400000000, 0.0000549400000000, -0.0000461900000000 ] - [ 0.0001882100000000, 0.0001076000000000, 0.0001538600000000 ] - [ -0.0000480300000000, -0.0000269600000000, -0.0000471100000000 ] - [ 0.0000487300000000, -0.0000281100000000, -0.0000458500000000 ] - [ 0.0000009400000000, -0.0002166600000000, 0.0001540600000000 ] - [ -0.0001312100000000, 0.0000757800000000, 0.0000471700000000 ] - [ 0.0000004500000000, 0.0001251900000000, -0.0002235900000000 ] - [ 0.0001283700000000, 0.0000742300000000, 0.0000447800000000 ] - [ -0.0001081700000000, -0.0000629900000000, -0.0002244300000000 ] - [ 0.0001103400000000, -0.0000637400000000, -0.0002258100000000 ] - [ -0.0000000900000000, -0.0001483400000000, 0.0000456500000000 ] - [ -0.0001133000000000, 0.0000654400000000, -0.0001276100000000 ] - [ 0.0000000500000000, 0.0000582600000000, -0.0000850100000000 ] - [ 0.0001121500000000, 0.0000655000000000, -0.0001288000000000 ] - [ -0.0000503700000000, -0.0000291700000000, -0.0000846900000000 ] - [ -0.0000006700000000, -0.0001297100000000, -0.0001292400000000 ] - [ 0.0000462300000000, -0.0000266300000000, -0.0000827400000000 ] - [ -0.0000007600000000, -0.0000097900000000, 0.0001892700000000 ] - [ -0.0000410300000000, 0.0000237300000000, -0.0000657600000000 ] - [ 0.0000445500000000, 0.0000259400000000, -0.0000635900000000 ] - [ 0.0000077700000000, 0.0000055000000000, 0.0001894400000000 ] - [ -0.0000102300000000, 0.0000060300000000, 0.0001916800000000 ] - [ -0.0000001400000000, -0.0000514600000000, -0.0000642100000000 ] - [ 0.0000976200000000, -0.0000564500000000, 0.0001143100000000 ] - [ -0.0000003100000000, -0.0001399700000000, 0.0001709900000000 ] - [ 0.0001209000000000, 0.0000702600000000, 0.0001714300000000 ] - [ -0.0000948400000000, -0.0000553800000000, 0.0001163400000000 ] - [ -0.0001221900000000, 0.0000706600000000, 0.0001724700000000 ] - [ 0.0000004700000000, 0.0001099700000000, 0.0001169400000000 ] - [ -0.0001842000000000, 0.0001062800000000, 0.0001491700000000 ] - [ 0.0018003300000000, 0.0000466900000000, -0.0000501500000000 ] - [ 0.0001860300000000, 0.0001063700000000, 0.0001507400000000 ] - [ 0.0015961900000000, -0.0001266700000000, -0.0008023400000000 ] - [ 0.0015888100000000, 0.0001133900000000, 0.0006241500000000 ] - [ 0.0000008900000000, -0.0002141300000000, 0.0001509100000000 ] - [ -0.0001744300000000, 0.0003461400000000, 0.0004222000000000 ] - [ -0.0000186700000000, 0.0001264900000000, -0.0002281400000000 ] - [ 0.0000804000000000, -0.0001967400000000, -0.0003318200000000 ] - [ -0.0001060200000000, -0.0000507900000000, -0.0001993600000000 ] - [ 0.0001147700000000, -0.0000773900000000, -0.0002597200000000 ] - [ 0.0004231000000000, -0.0001472800000000, 0.0000474700000000 ] - [ -0.0001102900000000, 0.0000647700000000, -0.0001293800000000 ] - [ -0.0000002100000000, 0.0000574500000000, -0.0000849300000000 ] - [ 0.0001109000000000, 0.0000636200000000, -0.0001388600000000 ] - [ -0.0000497300000000, -0.0000286200000000, -0.0000843500000000 ] - [ 0.0000012700000000, -0.0001273300000000, -0.0001350800000000 ] - [ 0.0000453700000000, -0.0000262600000000, -0.0000827700000000 ] - [ -0.0000006900000000, -0.0000109200000000, 0.0001910800000000 ] - [ -0.0000385400000000, 0.0000222600000000, -0.0000711000000000 ] - [ 0.0000420900000000, 0.0000245500000000, -0.0000689400000000 ] - [ 0.0000087800000000, 0.0000059900000000, 0.0001913000000000 ] - [ -0.0000109400000000, 0.0000064400000000, 0.0001933200000000 ] - [ -0.0000002100000000, -0.0000486400000000, -0.0000695400000000 ] - [ 0.0001002800000000, -0.0000580300000000, 0.0001108900000000 ] - [ -0.0000003900000000, -0.0001413400000000, 0.0001733400000000 ] - [ 0.0001220700000000, 0.0000710100000000, 0.0001738100000000 ] - [ -0.0000976500000000, -0.0000570200000000, 0.0001127700000000 ] - [ -0.0001237700000000, 0.0000715400000000, 0.0001750900000000 ] - [ 0.0000004500000000, 0.0001132300000000, 0.0001133800000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010768300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013006400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013664800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0845376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026395300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028858600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027585700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025285200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027280900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027641100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025258700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011433600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009489700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008544000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0163550400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009476400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010185100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009580900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011342300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010733100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010201700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020221500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0122345600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014584200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0265232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014786100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024700900000000 ] - [ -0.0032020000000000, 0.0018486700000000, 0.0183161000000000 ] - [ 0.0000000000000000, 0.0003103300000000, -0.0013176300000000 ] - [ 0.0032020000000000, 0.0018486700000000, 0.0183161000000000 ] - [ -0.0002687500000000, -0.0001551600000000, -0.0013176300000000 ] - [ 0.0002687500000000, -0.0001551600000000, -0.0013176300000000 ] - [ 0.0000000000000000, -0.0036973500000000, 0.0183161000000000 ] - [ -0.0000204400000000, 0.0000118000000000, -0.0012638600000000 ] - [ 0.0000000000000000, 0.0003235800000000, -0.0012919000000000 ] - [ 0.0000204400000000, 0.0000118000000000, -0.0012638600000000 ] - [ -0.0002802300000000, -0.0001617900000000, -0.0012919000000000 ] - [ 0.0002802300000000, -0.0001617900000000, -0.0012919000000000 ] - [ 0.0000000000000000, -0.0000236000000000, -0.0012638600000000 ] - [ -0.0001213300000000, 0.0000700500000000, -0.0015058800000000 ] - [ 0.0000000000000000, -0.0000127300000000, -0.0012372500000000 ] - [ 0.0001213300000000, 0.0000700500000000, -0.0015058800000000 ] - [ 0.0000110300000000, 0.0000063700000000, -0.0012372500000000 ] - [ 0.0000000000000000, -0.0001401000000000, -0.0015058800000000 ] - [ -0.0000110300000000, 0.0000063700000000, -0.0012372500000000 ] - [ 0.0000000000000000, 0.0000161700000000, -0.0011725400000000 ] - [ 0.0000452700000000, -0.0000261400000000, -0.0012016400000000 ] - [ -0.0000452700000000, -0.0000261400000000, -0.0012016400000000 ] - [ -0.0000140000000000, -0.0000080800000000, -0.0011725400000000 ] - [ 0.0000140000000000, -0.0000080800000000, -0.0011725400000000 ] - [ 0.0000000000000000, 0.0000522700000000, -0.0012016400000000 ] - [ 0.0007694800000000, -0.0004442600000000, -0.0008748000000000 ] - [ 0.0000000000000000, 0.0017525100000000, 0.0109156700000000 ] - [ -0.0015177200000000, -0.0008762500000000, 0.0109156700000000 ] - [ -0.0007694800000000, -0.0004442600000000, -0.0008748000000000 ] - [ 0.0015177200000000, -0.0008762500000000, 0.0109156700000000 ] - [ 0.0000000000000000, 0.0008885200000000, -0.0008748000000000 ] - [ 0.0000061200000000, -0.0000035300000000, -0.0009096700000000 ] - [ 0.0000000000000000, 0.0003129900000000, -0.0013225900000000 ] - [ -0.0000061200000000, -0.0000035300000000, -0.0009096700000000 ] - [ -0.0002710600000000, -0.0001565000000000, -0.0013225900000000 ] - [ 0.0002710600000000, -0.0001565000000000, -0.0013225900000000 ] - [ 0.0000000000000000, 0.0000070700000000, -0.0009096700000000 ] - [ -0.0000192200000000, 0.0000111000000000, -0.0012670200000000 ] - [ 0.0000000000000000, 0.0003235700000000, -0.0012888500000000 ] - [ 0.0000192200000000, 0.0000111000000000, -0.0012670200000000 ] - [ -0.0002802200000000, -0.0001617800000000, -0.0012888500000000 ] - [ 0.0002802200000000, -0.0001617800000000, -0.0012888500000000 ] - [ 0.0000000000000000, -0.0000221900000000, -0.0012670200000000 ] - [ -0.0001239300000000, 0.0000715500000000, -0.0015005500000000 ] - [ 0.0000000000000000, -0.0000129100000000, -0.0012359100000000 ] - [ 0.0001239300000000, 0.0000715500000000, -0.0015005500000000 ] - [ 0.0000111800000000, 0.0000064600000000, -0.0012359100000000 ] - [ 0.0000000000000000, -0.0001431000000000, -0.0015005500000000 ] - [ -0.0000111800000000, 0.0000064600000000, -0.0012359100000000 ] - [ 0.0000000000000000, 0.0000234600000000, -0.0011647600000000 ] - [ 0.0000447300000000, -0.0000258200000000, -0.0012010300000000 ] - [ -0.0000447300000000, -0.0000258200000000, -0.0012010300000000 ] - [ -0.0000203200000000, -0.0000117300000000, -0.0011647600000000 ] - [ 0.0000203200000000, -0.0000117300000000, -0.0011647600000000 ] - [ 0.0000000000000000, 0.0000516500000000, -0.0012010300000000 ] - [ 0.0002697900000000, -0.0001557600000000, -0.0009491800000000 ] - [ 0.0000000000000000, -0.0001418600000000, -0.0011948300000000 ] - [ 0.0001228500000000, 0.0000709300000000, -0.0011948300000000 ] - [ -0.0002697900000000, -0.0001557600000000, -0.0009491800000000 ] - [ -0.0001228500000000, 0.0000709300000000, -0.0011948300000000 ] - [ 0.0000000000000000, 0.0003115300000000, -0.0009491800000000 ] - [ 0.0000080000000000, -0.0000046200000000, -0.0009134000000000 ] - [ 0.0000000000000000, -0.0006696700000000, 0.0100818200000000 ] - [ -0.0000080000000000, -0.0000046200000000, -0.0009134000000000 ] - [ 0.0005799500000000, 0.0003348400000000, 0.0100818200000000 ] - [ -0.0005799500000000, 0.0003348400000000, 0.0100818200000000 ] - [ 0.0000000000000000, 0.0000092300000000, -0.0009134000000000 ] - [ 0.0002080100000000, -0.0001200900000000, -0.0011946300000000 ] - [ 0.0000000000000000, 0.0003201000000000, -0.0012980500000000 ] - [ -0.0002080100000000, -0.0001200900000000, -0.0011946300000000 ] - [ -0.0002772200000000, -0.0001600500000000, -0.0012980500000000 ] - [ 0.0002772200000000, -0.0001600500000000, -0.0012980500000000 ] - [ 0.0000000000000000, 0.0002401800000000, -0.0011946300000000 ] - [ -0.0001220900000000, 0.0000704900000000, -0.0015059600000000 ] - [ 0.0000000000000000, -0.0000140300000000, -0.0012367800000000 ] - [ 0.0001220900000000, 0.0000704900000000, -0.0015059600000000 ] - [ 0.0000121500000000, 0.0000070100000000, -0.0012367800000000 ] - [ 0.0000000000000000, -0.0001409800000000, -0.0015059600000000 ] - [ -0.0000121500000000, 0.0000070100000000, -0.0012367800000000 ] - [ 0.0000000000000000, 0.0000218800000000, -0.0011615200000000 ] - [ 0.0000473100000000, -0.0000273200000000, -0.0012061000000000 ] - [ -0.0000473100000000, -0.0000273200000000, -0.0012061000000000 ] - [ -0.0000189400000000, -0.0000109400000000, -0.0011615200000000 ] - [ 0.0000189400000000, -0.0000109400000000, -0.0011615200000000 ] - [ 0.0000000000000000, 0.0000546300000000, -0.0012061000000000 ] - [ 0.0002731400000000, -0.0001577000000000, -0.0009525600000000 ] - [ 0.0000000000000000, -0.0001437500000000, -0.0011921200000000 ] - [ 0.0001244900000000, 0.0000718700000000, -0.0011921200000000 ] - [ -0.0002731400000000, -0.0001577000000000, -0.0009525600000000 ] - [ -0.0001244900000000, 0.0000718700000000, -0.0011921200000000 ] - [ 0.0000000000000000, 0.0003154000000000, -0.0009525600000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0011002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013311000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011801500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058666500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013280800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013714100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011630200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010862300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013687900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010844300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0845535800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028152500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025788100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028212500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027401900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025807000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027347900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013781100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009126800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012810600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0161884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011637300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013771900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027883900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113419600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028005000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0276854200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017643000000000 ] - [ 0.0028266500000000, -0.0016319700000000, -0.0179975400000000 ] - [ 0.0000000000000000, -0.0002034700000000, 0.0012412300000000 ] - [ -0.0028266500000000, -0.0016319700000000, -0.0179975400000000 ] - [ 0.0001762100000000, 0.0001017400000000, 0.0012412300000000 ] - [ -0.0001762100000000, 0.0001017400000000, 0.0012412300000000 ] - [ 0.0000000000000000, 0.0032639300000000, -0.0179975400000000 ] - [ -0.0002312500000000, 0.0001335100000000, 0.0013525400000000 ] - [ 0.0000000000000000, -0.0000840300000000, 0.0008389300000000 ] - [ 0.0002312500000000, 0.0001335100000000, 0.0013525400000000 ] - [ 0.0000727700000000, 0.0000420100000000, 0.0008389300000000 ] - [ -0.0000727700000000, 0.0000420100000000, 0.0008389300000000 ] - [ 0.0000000000000000, -0.0002670200000000, 0.0013525400000000 ] - [ -0.0000885700000000, 0.0000511400000000, 0.0012371100000000 ] - [ 0.0000000000000000, 0.0001247600000000, 0.0010758100000000 ] - [ 0.0000885700000000, 0.0000511400000000, 0.0012371100000000 ] - [ -0.0001080500000000, -0.0000623800000000, 0.0010758100000000 ] - [ 0.0000000000000000, -0.0001022700000000, 0.0012371100000000 ] - [ 0.0001080500000000, -0.0000623800000000, 0.0010758100000000 ] - [ 0.0000000000000000, -0.0000232800000000, 0.0015299000000000 ] - [ -0.0001366000000000, 0.0000788700000000, 0.0010709100000000 ] - [ 0.0001366000000000, 0.0000788700000000, 0.0010709100000000 ] - [ 0.0000201600000000, 0.0000116400000000, 0.0015299000000000 ] - [ -0.0000201600000000, 0.0000116400000000, 0.0015299000000000 ] - [ 0.0000000000000000, -0.0001577300000000, 0.0010709100000000 ] - [ -0.0005749500000000, 0.0003319500000000, 0.0010969100000000 ] - [ 0.0000000000000000, -0.0017632500000000, -0.0101694600000000 ] - [ 0.0015270200000000, 0.0008816300000000, -0.0101694600000000 ] - [ 0.0005749500000000, 0.0003319500000000, 0.0010969100000000 ] - [ -0.0015270200000000, 0.0008816300000000, -0.0101694600000000 ] - [ 0.0000000000000000, -0.0006639000000000, 0.0010969100000000 ] - [ -0.0003904600000000, 0.0002254300000000, 0.0012275600000000 ] - [ 0.0000000000000000, -0.0002011200000000, 0.0012375800000000 ] - [ 0.0003904600000000, 0.0002254300000000, 0.0012275600000000 ] - [ 0.0001741700000000, 0.0001005600000000, 0.0012375800000000 ] - [ -0.0001741700000000, 0.0001005600000000, 0.0012375800000000 ] - [ 0.0000000000000000, -0.0004508700000000, 0.0012275600000000 ] - [ -0.0002273300000000, 0.0001312500000000, 0.0013477000000000 ] - [ 0.0000000000000000, -0.0000870700000000, 0.0008426400000000 ] - [ 0.0002273300000000, 0.0001312500000000, 0.0013477000000000 ] - [ 0.0000754100000000, 0.0000435400000000, 0.0008426400000000 ] - [ -0.0000754100000000, 0.0000435400000000, 0.0008426400000000 ] - [ 0.0000000000000000, -0.0002624900000000, 0.0013477000000000 ] - [ -0.0000890100000000, 0.0000513900000000, 0.0012407100000000 ] - [ 0.0000000000000000, 0.0001246300000000, 0.0010775600000000 ] - [ 0.0000890100000000, 0.0000513900000000, 0.0012407100000000 ] - [ -0.0001079400000000, -0.0000623200000000, 0.0010775600000000 ] - [ 0.0000000000000000, -0.0001027800000000, 0.0012407100000000 ] - [ 0.0001079400000000, -0.0000623200000000, 0.0010775600000000 ] - [ 0.0000000000000000, -0.0000310100000000, 0.0015252800000000 ] - [ -0.0001368200000000, 0.0000789900000000, 0.0010737800000000 ] - [ 0.0001368200000000, 0.0000789900000000, 0.0010737800000000 ] - [ 0.0000268500000000, 0.0000155000000000, 0.0015252800000000 ] - [ -0.0000268500000000, 0.0000155000000000, 0.0015252800000000 ] - [ 0.0000000000000000, -0.0001579900000000, 0.0010737800000000 ] - [ -0.0000866200000000, 0.0000500100000000, 0.0011803500000000 ] - [ 0.0000000000000000, -0.0001300000000000, 0.0015311400000000 ] - [ 0.0001125900000000, 0.0000650000000000, 0.0015311400000000 ] - [ 0.0000866200000000, 0.0000500100000000, 0.0011803500000000 ] - [ -0.0001125900000000, 0.0000650000000000, 0.0015311400000000 ] - [ 0.0000000000000000, -0.0001000200000000, 0.0011803500000000 ] - [ -0.0003898400000000, 0.0002250800000000, 0.0012269800000000 ] - [ 0.0000000000000000, 0.0005756000000000, -0.0105450700000000 ] - [ 0.0003898400000000, 0.0002250800000000, 0.0012269800000000 ] - [ -0.0004984800000000, -0.0002878000000000, -0.0105450700000000 ] - [ 0.0004984800000000, -0.0002878000000000, -0.0105450700000000 ] - [ 0.0000000000000000, -0.0004501500000000, 0.0012269800000000 ] - [ -0.0004550300000000, 0.0002627100000000, 0.0012703200000000 ] - [ 0.0000000000000000, -0.0000806800000000, 0.0008403800000000 ] - [ 0.0004550300000000, 0.0002627100000000, 0.0012703200000000 ] - [ 0.0000698700000000, 0.0000403400000000, 0.0008403800000000 ] - [ -0.0000698700000000, 0.0000403400000000, 0.0008403800000000 ] - [ 0.0000000000000000, -0.0005254200000000, 0.0012703200000000 ] - [ -0.0000882400000000, 0.0000509400000000, 0.0012378100000000 ] - [ 0.0000000000000000, 0.0001235900000000, 0.0010805100000000 ] - [ 0.0000882400000000, 0.0000509400000000, 0.0012378100000000 ] - [ -0.0001070400000000, -0.0000618000000000, 0.0010805100000000 ] - [ 0.0000000000000000, -0.0001018900000000, 0.0012378100000000 ] - [ 0.0001070400000000, -0.0000618000000000, 0.0010805100000000 ] - [ 0.0000000000000000, -0.0000310500000000, 0.0015240100000000 ] - [ -0.0001344600000000, 0.0000776300000000, 0.0010682100000000 ] - [ 0.0001344600000000, 0.0000776300000000, 0.0010682100000000 ] - [ 0.0000268900000000, 0.0000155300000000, 0.0015240100000000 ] - [ -0.0000268900000000, 0.0000155300000000, 0.0015240100000000 ] - [ 0.0000000000000000, -0.0001552600000000, 0.0010682100000000 ] - [ -0.0000841600000000, 0.0000485900000000, 0.0011752700000000 ] - [ 0.0000000000000000, -0.0001308300000000, 0.0015333700000000 ] - [ 0.0001133000000000, 0.0000654100000000, 0.0015333700000000 ] - [ 0.0000841600000000, 0.0000485900000000, 0.0011752700000000 ] - [ -0.0001133000000000, 0.0000654100000000, 0.0015333700000000 ] - [ 0.0000000000000000, -0.0000971800000000, 0.0011752700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006140500000000, -0.0000019000000000, 0.0001166200000000 ] - [ 0.0034149900000000, 0.0000303600000000, -0.0000438400000000 ] - [ 0.0031260700000000, -0.0000263600000000, -0.0001717200000000 ] - [ 0.0000033800000000, 0.0000000500000000, 0.0000703200000000 ] - [ -0.0000000700000000, 0.0000000500000000, 0.0001372800000000 ] - [ -0.0000002100000000, -0.0000000200000000, 0.0001202200000000 ] - [ -0.0000004200000000, 0.0000001900000000, -0.0000713200000000 ] - [ 0.0000000200000000, 0.0000000800000000, -0.0001494400000000 ] - [ -0.0000001200000000, 0.0000001000000000, 0.0000686700000000 ] - [ 0.0000026700000000, -0.0000000600000000, 0.0001387400000000 ] - [ 0.0000009500000000, -0.0000001500000000, 0.0001204500000000 ] - [ -0.0000002500000000, 0.0000002500000000, -0.0000702800000000 ] - [ -0.0000001100000000, 0.0000000400000000, -0.0001464400000000 ] - [ 0.0000002100000000, -0.0000000300000000, 0.0000693500000000 ] - [ 0.0000001300000000, -0.0000000200000000, 0.0001400100000000 ] - [ 0.0000001100000000, -0.0000001200000000, 0.0001144900000000 ] - [ -0.0397758500000000, -0.0000402400000000, -0.0000369700000000 ] - [ 0.0013515000000000, 0.0000038100000000, 0.0000120100000000 ] - [ -0.0000692400000000, -0.0000001600000000, 0.0000578200000000 ] - [ -0.0000005300000000, -0.0000001500000000, -0.0002201900000000 ] - [ -0.0000622800000000, 0.0000002100000000, 0.0001158200000000 ] - [ 0.0000002300000000, -0.0000001700000000, -0.0000584200000000 ] - [ -0.0000000200000000, -0.0000000700000000, 0.0000053300000000 ] - [ 0.0000017800000000, 0.0000000800000000, 0.0000567600000000 ] - [ -0.0000004800000000, -0.0000000700000000, -0.0002204700000000 ] - [ 0.0000002600000000, -0.0000002000000000, 0.0001163000000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0000522300000000 ] - [ -0.0000003700000000, 0.0000000100000000, 0.0000099800000000 ] - [ 0.0000002600000000, -0.0000001400000000, 0.0000604200000000 ] - [ -0.0000000400000000, 0.0000000700000000, -0.0002230600000000 ] - [ 0.0078193000000000, -0.0000786600000000, 0.0000426300000000 ] - [ -0.0022694900000000, -0.0000043300000000, -0.0002020100000000 ] - [ 0.0001036200000000, -0.0000012300000000, 0.0000516500000000 ] - [ 0.0000013100000000, 0.0000001100000000, -0.0002135900000000 ] - [ -0.0000004700000000, 0.0000001700000000, -0.0000337900000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0000071300000000 ] - [ -0.0000005600000000, 0.0000002600000000, -0.0002167800000000 ] - [ 0.0000027300000000, -0.0000014500000000, 0.0000495700000000 ] - [ 0.0000002400000000, -0.0000000700000000, -0.0002141900000000 ] - [ -0.0000123000000000, 0.0000002700000000, -0.0000316800000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0000052500000000 ] - [ -0.0000006200000000, 0.0000003100000000, -0.0002145400000000 ] - [ 0.0000030700000000, -0.0000016600000000, 0.0000508800000000 ] - [ 0.0000001800000000, 0.0000000300000000, -0.0002162500000000 ] - [ -0.0000007300000000, 0.0000003100000000, -0.0000306700000000 ] - [ 0.0002421600000000, -0.0000007500000000, 0.0004646900000000 ] - [ -0.0057561600000000, 0.0000110300000000, -0.0004970100000000 ] - [ -0.0000294000000000, -0.0000003000000000, 0.0003410200000000 ] - [ 0.0150569900000000, 0.0001620600000000, -0.0007458400000000 ] - [ -0.0000004000000000, 0.0000000800000000, 0.0003517400000000 ] - [ -0.0000005700000000, 0.0000002500000000, 0.0004730000000000 ] - [ 0.0000010400000000, -0.0000005500000000, -0.0004563700000000 ] - [ 0.0000002800000000, -0.0000001300000000, 0.0003400200000000 ] - [ -0.0000003200000000, 0.0000003100000000, -0.0006679500000000 ] - [ 0.0000012000000000, 0.0000004500000000, 0.0003479100000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0004730000000000 ] - [ 0.0000004300000000, -0.0000002900000000, -0.0004557200000000 ] - [ -0.0000000300000000, 0.0000001600000000, 0.0003470000000000 ] - [ -0.0000009100000000, 0.0000006100000000, -0.0006559400000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0003526800000000 ] - [ -0.0001848400000000, 0.0001066900000000, 0.0001483600000000 ] - [ 0.0004550300000000, 0.0000512800000000, -0.0000439200000000 ] - [ 0.0001870200000000, 0.0001068700000000, 0.0001503400000000 ] - [ -0.0001896600000000, -0.0003730700000000, -0.0005338900000000 ] - [ -0.0001031300000000, 0.0003216200000000, 0.0004513700000000 ] - [ 0.0000009900000000, -0.0002152600000000, 0.0001504600000000 ] - [ 0.0031793500000000, -0.0005859000000000, -0.0005918900000000 ] - [ -0.0002655900000000, 0.0000954800000000, -0.0002054600000000 ] - [ 0.0033350600000000, 0.0006903200000000, 0.0007866700000000 ] - [ 0.0025669400000000, 0.0016372900000000, 0.0003156400000000 ] - [ 0.0027959400000000, -0.0017727500000000, -0.0007765700000000 ] - [ 0.0021521400000000, -0.0001453400000000, 0.0000570300000000 ] - [ -0.0000518000000000, 0.0009874700000000, 0.0003870300000000 ] - [ 0.0003932100000000, 0.0000594800000000, -0.0000863700000000 ] - [ 0.0002727700000000, -0.0008207700000000, -0.0007415200000000 ] - [ -0.0000221700000000, -0.0002388600000000, -0.0004116700000000 ] - [ 0.0016765800000000, -0.0001414100000000, -0.0001414500000000 ] - [ 0.0000779900000000, 0.0001830300000000, 0.0002377500000000 ] - [ 0.0000029900000000, -0.0000076400000000, 0.0001879900000000 ] - [ -0.0000525400000000, 0.0000227900000000, -0.0001364300000000 ] - [ 0.0000366500000000, 0.0000288900000000, 0.0000084300000000 ] - [ 0.0000065800000000, 0.0000025800000000, 0.0001823600000000 ] - [ -0.0000079100000000, 0.0000067900000000, 0.0001962900000000 ] - [ -0.0000132200000000, -0.0000535600000000, -0.0000637900000000 ] - [ 0.0000983500000000, -0.0000570400000000, 0.0001132600000000 ] - [ -0.0000004100000000, -0.0001394900000000, 0.0001731900000000 ] - [ 0.0001205000000000, 0.0000701700000000, 0.0001736400000000 ] - [ -0.0000956400000000, -0.0000557500000000, 0.0001158800000000 ] - [ -0.0001221200000000, 0.0000706300000000, 0.0001750000000000 ] - [ 0.0000002500000000, 0.0001109600000000, 0.0001161200000000 ] - [ -0.0001790000000000, 0.0000847600000000, 0.0001034700000000 ] - [ -0.0000008400000000, 0.0000544600000000, -0.0000462900000000 ] - [ 0.0001964900000000, 0.0001311700000000, 0.0002001400000000 ] - [ -0.0000475500000000, -0.0000267000000000, -0.0000471600000000 ] - [ 0.0000484100000000, -0.0000279300000000, -0.0000460100000000 ] - [ -0.0000313800000000, -0.0002173000000000, 0.0001529500000000 ] - [ -0.0001300300000000, 0.0000751400000000, 0.0000468200000000 ] - [ 0.0000004600000000, 0.0001232300000000, -0.0002212300000000 ] - [ 0.0001271500000000, 0.0000735300000000, 0.0000444900000000 ] - [ -0.0001063800000000, -0.0000619300000000, -0.0002218300000000 ] - [ 0.0001086500000000, -0.0000627300000000, -0.0002234300000000 ] - [ -0.0000000500000000, -0.0001469600000000, 0.0000453400000000 ] - [ -0.0001108600000000, 0.0000640100000000, -0.0001301300000000 ] - [ 0.0000000400000000, 0.0000583600000000, -0.0000861200000000 ] - [ 0.0001095600000000, 0.0000639800000000, -0.0001314100000000 ] - [ -0.0000505100000000, -0.0000292500000000, -0.0000859200000000 ] - [ -0.0000006600000000, -0.0001267900000000, -0.0001317600000000 ] - [ 0.0000462700000000, -0.0000266800000000, -0.0000839000000000 ] - [ -0.0000007500000000, -0.0000074000000000, 0.0001890100000000 ] - [ -0.0000429300000000, 0.0000248000000000, -0.0000634000000000 ] - [ 0.0000464000000000, 0.0000270300000000, -0.0000611400000000 ] - [ 0.0000057200000000, 0.0000042800000000, 0.0001891900000000 ] - [ -0.0000082200000000, 0.0000048400000000, 0.0001915300000000 ] - [ -0.0000001800000000, -0.0000537100000000, -0.0000617800000000 ] - [ 0.0000958500000000, -0.0000555900000000, 0.0001163400000000 ] - [ 0.0000017500000000, -0.0001380100000000, 0.0001693800000000 ] - [ 0.0001197900000000, 0.0000684300000000, 0.0001648000000000 ] - [ -0.0000929500000000, -0.0000541600000000, 0.0001191400000000 ] - [ -0.0001199900000000, 0.0000705700000000, 0.0001759500000000 ] - [ 0.0000002200000000, 0.0001078400000000, 0.0001193800000000 ] - [ -0.0001848800000000, 0.0001067000000000, 0.0001479000000000 ] - [ -0.0000009300000000, 0.0000540700000000, -0.0000458700000000 ] - [ 0.0001866300000000, 0.0001067500000000, 0.0001494400000000 ] - [ -0.0000472900000000, -0.0000264600000000, -0.0000467300000000 ] - [ 0.0000480300000000, -0.0000277400000000, -0.0000454800000000 ] - [ 0.0000008800000000, -0.0002148500000000, 0.0001495700000000 ] - [ -0.0001295400000000, 0.0000748500000000, 0.0000464900000000 ] - [ 0.0000004100000000, 0.0001254000000000, -0.0002259600000000 ] - [ 0.0001270400000000, 0.0000734200000000, 0.0000444200000000 ] - [ -0.0001082800000000, -0.0000630000000000, -0.0002265500000000 ] - [ 0.0001106800000000, -0.0000639100000000, -0.0002282200000000 ] - [ -0.0000000300000000, -0.0001468000000000, 0.0000452700000000 ] - [ -0.0001093700000000, 0.0000631600000000, -0.0001355600000000 ] - [ -0.0000000100000000, 0.0000575200000000, -0.0000860500000000 ] - [ 0.0001084500000000, 0.0000632400000000, -0.0001366300000000 ] - [ -0.0000497800000000, -0.0000287700000000, -0.0000858000000000 ] - [ -0.0000005700000000, -0.0001253900000000, -0.0001370000000000 ] - [ 0.0000455000000000, -0.0000262300000000, -0.0000837400000000 ] - [ -0.0000007300000000, -0.0000086300000000, 0.0001907400000000 ] - [ -0.0000403600000000, 0.0000233200000000, -0.0000689800000000 ] - [ 0.0000439200000000, 0.0000256300000000, -0.0000667200000000 ] - [ 0.0000069100000000, 0.0000049000000000, 0.0001909900000000 ] - [ -0.0000090400000000, 0.0000052700000000, 0.0001930400000000 ] - [ -0.0000002100000000, -0.0000508600000000, -0.0000673100000000 ] - [ 0.0000985700000000, -0.0000569900000000, 0.0001130600000000 ] - [ -0.0000003600000000, -0.0001393500000000, 0.0001717200000000 ] - [ 0.0001203600000000, 0.0000700100000000, 0.0001721800000000 ] - [ -0.0000957800000000, -0.0000559800000000, 0.0001151200000000 ] - [ -0.0001220300000000, 0.0000705600000000, 0.0001734900000000 ] - [ 0.0000005200000000, 0.0001111400000000, 0.0001156600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013401200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013346400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010683700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012943400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013630200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012952800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013633000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0789842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028280800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025201700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026897500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025200900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026948000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0152800800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009039800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009434800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010168400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011358100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009518700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023721000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0117635100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025501700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0290870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024620000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025787000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020261200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014494400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020259100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025411400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024628800000000 ] - [ -0.0000014000000000, 0.0000008100000000, -0.0008993000000000 ] - [ 0.0000000000000000, 0.0007227200000000, -0.0012779800000000 ] - [ 0.0000014000000000, 0.0000008100000000, -0.0008993000000000 ] - [ -0.0006258900000000, -0.0003613600000000, -0.0012779800000000 ] - [ 0.0006258900000000, -0.0003613600000000, -0.0012779800000000 ] - [ 0.0000000000000000, -0.0000016100000000, -0.0008993000000000 ] - [ 0.0010875400000000, -0.0006278900000000, 0.0101024200000000 ] - [ 0.0000000000000000, -0.0032469600000000, 0.0179682000000000 ] - [ -0.0010875400000000, -0.0006278900000000, 0.0101024200000000 ] - [ 0.0028119500000000, 0.0016234800000000, 0.0179682000000000 ] - [ -0.0028119500000000, 0.0016234800000000, 0.0179682000000000 ] - [ 0.0000000000000000, 0.0012557800000000, 0.0101024200000000 ] - [ -0.0017105400000000, 0.0009875800000000, 0.0098358800000000 ] - [ 0.0000000000000000, 0.0002691600000000, -0.0011520200000000 ] - [ 0.0017105400000000, 0.0009875800000000, 0.0098358800000000 ] - [ -0.0002331000000000, -0.0001345800000000, -0.0011520200000000 ] - [ 0.0000000000000000, -0.0019751600000000, 0.0098358800000000 ] - [ 0.0002331000000000, -0.0001345800000000, -0.0011520200000000 ] - [ 0.0000000000000000, 0.0000353700000000, -0.0011767600000000 ] - [ 0.0000284900000000, -0.0000164500000000, -0.0012123400000000 ] - [ -0.0000284900000000, -0.0000164500000000, -0.0012123400000000 ] - [ -0.0000306300000000, -0.0000176900000000, -0.0011767600000000 ] - [ 0.0000306300000000, -0.0000176900000000, -0.0011767600000000 ] - [ 0.0000000000000000, 0.0000329000000000, -0.0012123400000000 ] - [ 0.0002627400000000, -0.0001517000000000, -0.0009449500000000 ] - [ 0.0000000000000000, -0.0001346400000000, -0.0011928200000000 ] - [ 0.0001166000000000, 0.0000673200000000, -0.0011928200000000 ] - [ -0.0002627400000000, -0.0001517000000000, -0.0009449500000000 ] - [ -0.0001166000000000, 0.0000673200000000, -0.0011928200000000 ] - [ 0.0000000000000000, 0.0003033900000000, -0.0009449500000000 ] - [ -0.0000034400000000, 0.0000019800000000, -0.0009056300000000 ] - [ 0.0000000000000000, 0.0003100100000000, -0.0013090900000000 ] - [ 0.0000034400000000, 0.0000019800000000, -0.0009056300000000 ] - [ -0.0002684700000000, -0.0001550000000000, -0.0013090900000000 ] - [ 0.0002684700000000, -0.0001550000000000, -0.0013090900000000 ] - [ 0.0000000000000000, -0.0000039700000000, -0.0009056300000000 ] - [ 0.0000017800000000, -0.0000010300000000, -0.0012834500000000 ] - [ 0.0000000000000000, 0.0003096900000000, -0.0012782500000000 ] - [ -0.0000017800000000, -0.0000010300000000, -0.0012834500000000 ] - [ -0.0002682000000000, -0.0001548500000000, -0.0012782500000000 ] - [ 0.0002682000000000, -0.0001548500000000, -0.0012782500000000 ] - [ 0.0000000000000000, 0.0000020500000000, -0.0012834500000000 ] - [ -0.0001138200000000, 0.0000657100000000, -0.0014904900000000 ] - [ 0.0000000000000000, -0.0000156700000000, -0.0012241300000000 ] - [ 0.0001138200000000, 0.0000657100000000, -0.0014904900000000 ] - [ 0.0000135700000000, 0.0000078300000000, -0.0012241300000000 ] - [ 0.0000000000000000, -0.0001314200000000, -0.0014904900000000 ] - [ -0.0000135700000000, 0.0000078300000000, -0.0012241300000000 ] - [ 0.0000000000000000, 0.0000362200000000, -0.0011827900000000 ] - [ 0.0000415800000000, -0.0000240000000000, -0.0011955900000000 ] - [ -0.0000415800000000, -0.0000240000000000, -0.0011955900000000 ] - [ -0.0000313700000000, -0.0000181100000000, -0.0011827900000000 ] - [ 0.0000313700000000, -0.0000181100000000, -0.0011827900000000 ] - [ 0.0000000000000000, 0.0000480100000000, -0.0011955900000000 ] - [ 0.0002582500000000, -0.0001491000000000, -0.0009420000000000 ] - [ 0.0000000000000000, -0.0001303300000000, -0.0011959600000000 ] - [ 0.0001128700000000, 0.0000651700000000, -0.0011959600000000 ] - [ -0.0002582500000000, -0.0001491000000000, -0.0009420000000000 ] - [ -0.0001128700000000, 0.0000651700000000, -0.0011959600000000 ] - [ 0.0000000000000000, 0.0002982100000000, -0.0009420000000000 ] - [ -0.0000035600000000, 0.0000020600000000, -0.0008982100000000 ] - [ 0.0000000000000000, 0.0003096900000000, -0.0013096100000000 ] - [ 0.0000035600000000, 0.0000020600000000, -0.0008982100000000 ] - [ -0.0002682000000000, -0.0001548500000000, -0.0013096100000000 ] - [ 0.0002682000000000, -0.0001548500000000, -0.0013096100000000 ] - [ 0.0000000000000000, -0.0000041100000000, -0.0008982100000000 ] - [ -0.0000014900000000, 0.0000008600000000, -0.0012804600000000 ] - [ 0.0000000000000000, 0.0003135100000000, -0.0012841900000000 ] - [ 0.0000014900000000, 0.0000008600000000, -0.0012804600000000 ] - [ -0.0002715100000000, -0.0001567600000000, -0.0012841900000000 ] - [ 0.0002715100000000, -0.0001567600000000, -0.0012841900000000 ] - [ 0.0000000000000000, -0.0000017200000000, -0.0012804600000000 ] - [ -0.0001144000000000, 0.0000660500000000, -0.0014952800000000 ] - [ 0.0000000000000000, -0.0000162800000000, -0.0012259100000000 ] - [ 0.0001144000000000, 0.0000660500000000, -0.0014952800000000 ] - [ 0.0000141000000000, 0.0000081400000000, -0.0012259100000000 ] - [ 0.0000000000000000, -0.0001321000000000, -0.0014952800000000 ] - [ -0.0000141000000000, 0.0000081400000000, -0.0012259100000000 ] - [ 0.0000000000000000, 0.0000332600000000, -0.0011764800000000 ] - [ 0.0000436500000000, -0.0000252000000000, -0.0012001600000000 ] - [ -0.0000436500000000, -0.0000252000000000, -0.0012001600000000 ] - [ -0.0000288100000000, -0.0000166300000000, -0.0011764800000000 ] - [ 0.0000288100000000, -0.0000166300000000, -0.0011764800000000 ] - [ 0.0000000000000000, 0.0000504000000000, -0.0012001600000000 ] - [ 0.0002625900000000, -0.0001516100000000, -0.0009449000000000 ] - [ 0.0000000000000000, -0.0001337200000000, -0.0011947100000000 ] - [ 0.0001158100000000, 0.0000668600000000, -0.0011947100000000 ] - [ -0.0002625900000000, -0.0001516100000000, -0.0009449000000000 ] - [ -0.0001158100000000, 0.0000668600000000, -0.0011947100000000 ] - [ 0.0000000000000000, 0.0003032200000000, -0.0009449000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0011079000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011653500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010820700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010928000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013640300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011673200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010799800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013611300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011642500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026475700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0785558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025720800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027366900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025728300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029511200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029532100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151578200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007924400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013739200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011946100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009127700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011960200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011914200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014370100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0279804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027920200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029394000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027802900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017560500000000 ] - [ -0.0003873200000000, 0.0002236200000000, 0.0012186300000000 ] - [ 0.0000000000000000, -0.0006168600000000, 0.0012089200000000 ] - [ 0.0003873200000000, 0.0002236200000000, 0.0012186300000000 ] - [ 0.0005342200000000, 0.0003084300000000, 0.0012089200000000 ] - [ -0.0005342200000000, 0.0003084300000000, 0.0012089200000000 ] - [ 0.0000000000000000, -0.0004472400000000, 0.0012186300000000 ] - [ -0.0010971300000000, 0.0006334300000000, -0.0096421400000000 ] - [ 0.0000000000000000, 0.0034821600000000, -0.0184095400000000 ] - [ 0.0010971300000000, 0.0006334300000000, -0.0096421400000000 ] - [ -0.0030156400000000, -0.0017410800000000, -0.0184095400000000 ] - [ 0.0030156400000000, -0.0017410800000000, -0.0184095400000000 ] - [ 0.0000000000000000, -0.0012668600000000, -0.0096421400000000 ] - [ 0.0013440200000000, -0.0007759700000000, -0.0104410400000000 ] - [ 0.0000000000000000, -0.0001646800000000, 0.0009995400000000 ] - [ -0.0013440200000000, -0.0007759700000000, -0.0104410400000000 ] - [ 0.0001426200000000, 0.0000823400000000, 0.0009995400000000 ] - [ 0.0000000000000000, 0.0015519400000000, -0.0104410400000000 ] - [ -0.0001426200000000, 0.0000823400000000, 0.0009995400000000 ] - [ 0.0000000000000000, -0.0000362100000000, 0.0015072600000000 ] - [ -0.0001175900000000, 0.0000678900000000, 0.0010773900000000 ] - [ 0.0001175900000000, 0.0000678900000000, 0.0010773900000000 ] - [ 0.0000313600000000, 0.0000181100000000, 0.0015072600000000 ] - [ -0.0000313600000000, 0.0000181100000000, 0.0015072600000000 ] - [ 0.0000000000000000, -0.0001357900000000, 0.0010773900000000 ] - [ -0.0000856700000000, 0.0000494600000000, 0.0011731000000000 ] - [ 0.0000000000000000, -0.0001304000000000, 0.0015298800000000 ] - [ 0.0001129300000000, 0.0000652000000000, 0.0015298800000000 ] - [ 0.0000856700000000, 0.0000494600000000, 0.0011731000000000 ] - [ -0.0001129300000000, 0.0000652000000000, 0.0015298800000000 ] - [ 0.0000000000000000, -0.0000989200000000, 0.0011731000000000 ] - [ -0.0003896900000000, 0.0002249900000000, 0.0012314800000000 ] - [ 0.0000000000000000, -0.0002026100000000, 0.0012309300000000 ] - [ 0.0003896900000000, 0.0002249900000000, 0.0012314800000000 ] - [ 0.0001754600000000, 0.0001013000000000, 0.0012309300000000 ] - [ -0.0001754600000000, 0.0001013000000000, 0.0012309300000000 ] - [ 0.0000000000000000, -0.0004499700000000, 0.0012314800000000 ] - [ -0.0002168500000000, 0.0001252000000000, 0.0013383800000000 ] - [ 0.0000000000000000, -0.0000891600000000, 0.0008464400000000 ] - [ 0.0002168500000000, 0.0001252000000000, 0.0013383800000000 ] - [ 0.0000772100000000, 0.0000445800000000, 0.0008464400000000 ] - [ -0.0000772100000000, 0.0000445800000000, 0.0008464400000000 ] - [ 0.0000000000000000, -0.0002504000000000, 0.0013383800000000 ] - [ -0.0000874200000000, 0.0000504700000000, 0.0012470600000000 ] - [ 0.0000000000000000, 0.0001238300000000, 0.0010764500000000 ] - [ 0.0000874200000000, 0.0000504700000000, 0.0012470600000000 ] - [ -0.0001072400000000, -0.0000619200000000, 0.0010764500000000 ] - [ 0.0000000000000000, -0.0001009400000000, 0.0012470600000000 ] - [ 0.0001072400000000, -0.0000619200000000, 0.0010764500000000 ] - [ 0.0000000000000000, -0.0000326500000000, 0.0015095200000000 ] - [ -0.0001314100000000, 0.0000758700000000, 0.0010637200000000 ] - [ 0.0001314100000000, 0.0000758700000000, 0.0010637200000000 ] - [ 0.0000282800000000, 0.0000163300000000, 0.0015095200000000 ] - [ -0.0000282800000000, 0.0000163300000000, 0.0015095200000000 ] - [ 0.0000000000000000, -0.0001517400000000, 0.0010637200000000 ] - [ -0.0000863000000000, 0.0000498300000000, 0.0011749700000000 ] - [ 0.0000000000000000, -0.0001316400000000, 0.0015256100000000 ] - [ 0.0001140100000000, 0.0000658200000000, 0.0015256100000000 ] - [ 0.0000863000000000, 0.0000498300000000, 0.0011749700000000 ] - [ -0.0001140100000000, 0.0000658200000000, 0.0015256100000000 ] - [ 0.0000000000000000, -0.0000996500000000, 0.0011749700000000 ] - [ -0.0003883300000000, 0.0002242000000000, 0.0012193900000000 ] - [ 0.0000000000000000, -0.0002012200000000, 0.0012306200000000 ] - [ 0.0003883300000000, 0.0002242000000000, 0.0012193900000000 ] - [ 0.0001742700000000, 0.0001006100000000, 0.0012306200000000 ] - [ -0.0001742700000000, 0.0001006100000000, 0.0012306200000000 ] - [ 0.0000000000000000, -0.0004484100000000, 0.0012193900000000 ] - [ -0.0002218300000000, 0.0001280700000000, 0.0013433700000000 ] - [ 0.0000000000000000, -0.0000882600000000, 0.0008415100000000 ] - [ 0.0002218300000000, 0.0001280700000000, 0.0013433700000000 ] - [ 0.0000764400000000, 0.0000441300000000, 0.0008415100000000 ] - [ -0.0000764400000000, 0.0000441300000000, 0.0008415100000000 ] - [ 0.0000000000000000, -0.0002561500000000, 0.0013433700000000 ] - [ -0.0000845100000000, 0.0000487900000000, 0.0012423900000000 ] - [ 0.0000000000000000, 0.0001227100000000, 0.0010783900000000 ] - [ 0.0000845100000000, 0.0000487900000000, 0.0012423900000000 ] - [ -0.0001062700000000, -0.0000613500000000, 0.0010783900000000 ] - [ 0.0000000000000000, -0.0000975800000000, 0.0012423900000000 ] - [ 0.0001062700000000, -0.0000613500000000, 0.0010783900000000 ] - [ 0.0000000000000000, -0.0000341700000000, 0.0015114800000000 ] - [ -0.0001285400000000, 0.0000742100000000, 0.0010585100000000 ] - [ 0.0001285400000000, 0.0000742100000000, 0.0010585100000000 ] - [ 0.0000296000000000, 0.0000170900000000, 0.0015114800000000 ] - [ -0.0000296000000000, 0.0000170900000000, 0.0015114800000000 ] - [ 0.0000000000000000, -0.0001484300000000, 0.0010585100000000 ] - [ -0.0000849600000000, 0.0000490500000000, 0.0011725700000000 ] - [ 0.0000000000000000, -0.0001304200000000, 0.0015280400000000 ] - [ 0.0001129500000000, 0.0000652100000000, 0.0015280400000000 ] - [ 0.0000849600000000, 0.0000490500000000, 0.0011725700000000 ] - [ -0.0001129500000000, 0.0000652100000000, 0.0015280400000000 ] - [ 0.0000000000000000, -0.0000981000000000, 0.0011725700000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000058900000000, -0.0000000900000000, 0.0001169800000000 ] - [ -0.0000404200000000, 0.0000002100000000, -0.0000746300000000 ] - [ 0.0040440300000000, 0.0000344300000000, -0.0001108800000000 ] - [ 0.0004375100000000, 0.0000012900000000, 0.0000704700000000 ] - [ 0.0000016200000000, 0.0000000800000000, 0.0001371700000000 ] - [ 0.0000004500000000, -0.0000000500000000, 0.0001206900000000 ] - [ -0.0000001900000000, 0.0000001800000000, -0.0000719900000000 ] - [ -0.0000002400000000, 0.0000000700000000, -0.0001486200000000 ] - [ 0.0000002200000000, 0.0000001100000000, 0.0000679800000000 ] - [ 0.0000001400000000, -0.0000000700000000, 0.0001387300000000 ] - [ 0.0000005200000000, -0.0000001300000000, 0.0001209200000000 ] - [ -0.0000004700000000, 0.0000002500000000, -0.0000709900000000 ] - [ 0.0000002000000000, -0.0000000100000000, -0.0001456500000000 ] - [ -0.0000004100000000, -0.0000000200000000, 0.0000687500000000 ] - [ 0.0000001300000000, 0.0000000200000000, 0.0001399700000000 ] - [ -0.0000005400000000, -0.0000001100000000, 0.0001143400000000 ] - [ 0.0013513000000000, -0.0000038900000000, -0.0000524500000000 ] - [ -0.0365415600000000, 0.0000658300000000, 0.0000119200000000 ] - [ 0.0062739100000000, -0.0000655100000000, -0.0000041100000000 ] - [ -0.0000629000000000, -0.0000004400000000, -0.0002220100000000 ] - [ -0.0000008100000000, 0.0000000300000000, 0.0001156300000000 ] - [ 0.0000001300000000, -0.0000001700000000, -0.0000576900000000 ] - [ -0.0000001300000000, -0.0000000600000000, 0.0000057000000000 ] - [ 0.0000003800000000, -0.0000001900000000, 0.0000546100000000 ] - [ 0.0000001900000000, -0.0000000700000000, -0.0002221600000000 ] - [ 0.0000002600000000, -0.0000001900000000, 0.0001161800000000 ] - [ 0.0000001600000000, -0.0000000400000000, -0.0000515200000000 ] - [ -0.0000003200000000, 0.0000000200000000, 0.0000105100000000 ] - [ 0.0000002100000000, -0.0000001400000000, 0.0000593200000000 ] - [ -0.0000000600000000, 0.0000000800000000, -0.0002249400000000 ] - [ 0.0001584200000000, -0.0000008300000000, -0.0000076900000000 ] - [ 0.0089515200000000, -0.0000907900000000, -0.0001621700000000 ] - [ 0.0076632600000000, 0.0000820000000000, 0.0000083700000000 ] - [ 0.0001048300000000, 0.0000005900000000, -0.0002150300000000 ] - [ 0.0000004000000000, 0.0000001800000000, -0.0000341200000000 ] - [ 0.0000005000000000, -0.0000003100000000, -0.0000070900000000 ] - [ -0.0000005600000000, 0.0000002700000000, -0.0002164300000000 ] - [ 0.0000027200000000, -0.0000014500000000, 0.0000491900000000 ] - [ 0.0000003100000000, -0.0000000900000000, -0.0002150900000000 ] - [ -0.0000007200000000, 0.0000002500000000, -0.0000319900000000 ] - [ 0.0000007800000000, -0.0000004500000000, -0.0000053200000000 ] - [ -0.0000006400000000, 0.0000003200000000, -0.0002140800000000 ] - [ 0.0000030700000000, -0.0000016600000000, 0.0000506700000000 ] - [ 0.0000001500000000, 0.0000000100000000, -0.0002172300000000 ] - [ -0.0000007000000000, 0.0000003300000000, -0.0000310000000000 ] - [ 0.0000025300000000, -0.0000000500000000, 0.0004639000000000 ] - [ -0.0000407900000000, -0.0000001300000000, -0.0004681000000000 ] - [ -0.0042119900000000, -0.0000102000000000, 0.0003623300000000 ] - [ -0.0060933500000000, 0.0000121600000000, -0.0006843400000000 ] - [ -0.0000167600000000, 0.0000000100000000, 0.0003512800000000 ] - [ -0.0000003200000000, 0.0000002900000000, 0.0004729900000000 ] - [ 0.0000010900000000, -0.0000005700000000, -0.0004548000000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0003375900000000 ] - [ -0.0000003900000000, 0.0000003000000000, -0.0006672300000000 ] - [ -0.0000007600000000, 0.0000004600000000, 0.0003472600000000 ] - [ -0.0000010500000000, 0.0000005900000000, 0.0004734900000000 ] - [ 0.0000005900000000, -0.0000003100000000, -0.0004544900000000 ] - [ -0.0000000500000000, 0.0000001700000000, 0.0003446000000000 ] - [ -0.0000010300000000, 0.0000006100000000, -0.0006552300000000 ] - [ 0.0000001300000000, 0.0000000000000000, 0.0003519400000000 ] - [ -0.0001849400000000, 0.0001066400000000, 0.0001496100000000 ] - [ 0.0000030600000000, 0.0000539000000000, -0.0000427800000000 ] - [ 0.0001871800000000, 0.0001070600000000, 0.0001519600000000 ] - [ -0.0000485600000000, -0.0000295100000000, -0.0000490300000000 ] - [ 0.0000461500000000, -0.0000243700000000, -0.0000367400000000 ] - [ 0.0000008100000000, -0.0002154800000000, 0.0001520000000000 ] - [ -0.0001412100000000, 0.0000693200000000, -0.0000394100000000 ] - [ 0.0006573100000000, 0.0001233300000000, -0.0002277800000000 ] - [ 0.0001209500000000, 0.0000822900000000, 0.0001410900000000 ] - [ -0.0001967600000000, -0.0004951100000000, -0.0007743500000000 ] - [ 0.0000136400000000, 0.0003695900000000, 0.0003225600000000 ] - [ -0.0000213700000000, -0.0001500200000000, 0.0000509400000000 ] - [ 0.0036603500000000, -0.0009499700000000, 0.0000885800000000 ] - [ -0.0029937000000000, 0.0000631300000000, -0.0000943700000000 ] - [ 0.0037519600000000, 0.0010123000000000, -0.0002311600000000 ] - [ 0.0022042900000000, 0.0030030400000000, 0.0005477700000000 ] - [ 0.0020070000000000, -0.0001208300000000, -0.0001306100000000 ] - [ 0.0022939000000000, -0.0030597600000000, -0.0007411000000000 ] - [ 0.0004898000000000, -0.0000066200000000, 0.0001920300000000 ] - [ 0.0022051000000000, -0.0002826000000000, -0.0009281300000000 ] - [ 0.0023809200000000, 0.0003660200000000, 0.0007224700000000 ] - [ -0.0000678500000000, -0.0003202900000000, -0.0002116100000000 ] - [ -0.0000790000000000, 0.0003300400000000, 0.0005904500000000 ] - [ 0.0017313500000000, -0.0000570500000000, -0.0000764700000000 ] - [ 0.0001025800000000, -0.0000705300000000, 0.0000807700000000 ] - [ 0.0000015000000000, -0.0001408900000000, 0.0001744900000000 ] - [ 0.0001222700000000, 0.0000700900000000, 0.0001705600000000 ] - [ -0.0000930200000000, -0.0000433900000000, 0.0001455400000000 ] - [ -0.0001226600000000, 0.0000720400000000, 0.0001805000000000 ] - [ -0.0000187200000000, 0.0001120900000000, 0.0001144500000000 ] - [ -0.0001870900000000, 0.0001077700000000, 0.0001518000000000 ] - [ -0.0000008400000000, 0.0000569100000000, -0.0000477000000000 ] - [ 0.0001889600000000, 0.0001082600000000, 0.0001543500000000 ] - [ -0.0000496500000000, -0.0000279300000000, -0.0000486100000000 ] - [ 0.0000504700000000, -0.0000291500000000, -0.0000474100000000 ] - [ 0.0000005700000000, -0.0002175100000000, 0.0001540700000000 ] - [ -0.0001315100000000, 0.0000759900000000, 0.0000483600000000 ] - [ 0.0000004900000000, 0.0001238000000000, -0.0002219900000000 ] - [ 0.0001287100000000, 0.0000744400000000, 0.0000460700000000 ] - [ -0.0001066800000000, -0.0000621100000000, -0.0002224100000000 ] - [ 0.0001091400000000, -0.0000629800000000, -0.0002241800000000 ] - [ -0.0000000700000000, -0.0001487100000000, 0.0000468700000000 ] - [ -0.0001115600000000, 0.0000644100000000, -0.0001291600000000 ] - [ 0.0000000300000000, 0.0000584800000000, -0.0000855700000000 ] - [ 0.0001101300000000, 0.0000643300000000, -0.0001306200000000 ] - [ -0.0000506400000000, -0.0000293300000000, -0.0000854100000000 ] - [ -0.0000006800000000, -0.0001276700000000, -0.0001308000000000 ] - [ 0.0000464200000000, -0.0000267600000000, -0.0000833400000000 ] - [ -0.0000008200000000, -0.0000089700000000, 0.0001892900000000 ] - [ -0.0000420700000000, 0.0000243000000000, -0.0000650500000000 ] - [ 0.0000455500000000, 0.0000265200000000, -0.0000628900000000 ] - [ 0.0000070900000000, 0.0000051100000000, 0.0001895400000000 ] - [ -0.0000095600000000, 0.0000055800000000, 0.0001917700000000 ] - [ -0.0000001600000000, -0.0000526500000000, -0.0000635100000000 ] - [ 0.0000968300000000, -0.0000559700000000, 0.0001151000000000 ] - [ -0.0000002200000000, -0.0001394800000000, 0.0001706900000000 ] - [ 0.0001204600000000, 0.0000699600000000, 0.0001710500000000 ] - [ -0.0000940400000000, -0.0000549300000000, 0.0001172800000000 ] - [ -0.0001217400000000, 0.0000704500000000, 0.0001722000000000 ] - [ 0.0000005000000000, 0.0001090700000000, 0.0001177800000000 ] - [ -0.0001851000000000, 0.0001068000000000, 0.0001492600000000 ] - [ -0.0000009000000000, 0.0000564000000000, -0.0000470700000000 ] - [ 0.0001868500000000, 0.0001068600000000, 0.0001507500000000 ] - [ -0.0000492700000000, -0.0000276400000000, -0.0000480000000000 ] - [ 0.0000500600000000, -0.0000289200000000, -0.0000466700000000 ] - [ 0.0000008800000000, -0.0002151300000000, 0.0001509700000000 ] - [ -0.0001310400000000, 0.0000756700000000, 0.0000479500000000 ] - [ 0.0000004100000000, 0.0001256400000000, -0.0002262900000000 ] - [ 0.0001285700000000, 0.0000742900000000, 0.0000459400000000 ] - [ -0.0001082600000000, -0.0000629900000000, -0.0002266500000000 ] - [ 0.0001108600000000, -0.0000640100000000, -0.0002285200000000 ] - [ -0.0000000600000000, -0.0001484800000000, 0.0000467000000000 ] - [ -0.0001098300000000, 0.0000634000000000, -0.0001349700000000 ] - [ 0.0000003000000000, 0.0000579100000000, -0.0000851500000000 ] - [ 0.0001086900000000, 0.0000634000000000, -0.0001363100000000 ] - [ -0.0000500100000000, -0.0000289000000000, -0.0000854800000000 ] - [ -0.0000005900000000, -0.0001259300000000, -0.0001364700000000 ] - [ 0.0000459800000000, -0.0000261500000000, -0.0000828500000000 ] - [ -0.0000007200000000, -0.0000101500000000, 0.0001911400000000 ] - [ -0.0000395000000000, 0.0000228000000000, -0.0000705600000000 ] - [ 0.0000430100000000, 0.0000250800000000, -0.0000683600000000 ] - [ 0.0000082500000000, 0.0000056600000000, 0.0001914600000000 ] - [ -0.0000102700000000, 0.0000059800000000, 0.0001934000000000 ] - [ -0.0000002200000000, -0.0000497200000000, -0.0000689600000000 ] - [ 0.0000997800000000, -0.0000576900000000, 0.0001114400000000 ] - [ -0.0000004000000000, -0.0001410400000000, 0.0001731100000000 ] - [ 0.0001217600000000, 0.0000708400000000, 0.0001735500000000 ] - [ -0.0000970500000000, -0.0000567000000000, 0.0001135200000000 ] - [ -0.0001234900000000, 0.0000713700000000, 0.0001748800000000 ] - [ 0.0000005100000000, 0.0001126200000000, 0.0001140000000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012064400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0065233900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013594800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013329300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011763900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013334600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011771400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027601500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0919815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025550000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028517800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026858300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026806100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028529400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027390000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010530200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0170691700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0121784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011215500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009356500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010111200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009588600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011425600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010131000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009567400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025403800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0119562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024830500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020292000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014496700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024583500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020298500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025342100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024630800000000 ] - [ 0.0000013700000000, -0.0000007900000000, -0.0008914300000000 ] - [ 0.0000000000000000, 0.0003000300000000, -0.0012981800000000 ] - [ -0.0000013700000000, -0.0000007900000000, -0.0008914300000000 ] - [ -0.0002598400000000, -0.0001500200000000, -0.0012981800000000 ] - [ 0.0002598400000000, -0.0001500200000000, -0.0012981800000000 ] - [ 0.0000000000000000, 0.0000015800000000, -0.0008914300000000 ] - [ -0.0000032300000000, 0.0000018600000000, -0.0012867800000000 ] - [ 0.0000000000000000, 0.0009052900000000, -0.0012395200000000 ] - [ 0.0000032300000000, 0.0000018600000000, -0.0012867800000000 ] - [ -0.0007840000000000, -0.0004526400000000, -0.0012395200000000 ] - [ 0.0007840000000000, -0.0004526400000000, -0.0012395200000000 ] - [ 0.0000000000000000, -0.0000037300000000, -0.0012867800000000 ] - [ 0.0027866200000000, -0.0016088500000000, 0.0127819900000000 ] - [ 0.0000000000000000, -0.0001727700000000, 0.0190922900000000 ] - [ -0.0027866200000000, -0.0016088500000000, 0.0127819900000000 ] - [ 0.0001496200000000, 0.0000863800000000, 0.0190922900000000 ] - [ 0.0000000000000000, 0.0032177100000000, 0.0127819900000000 ] - [ -0.0001496200000000, 0.0000863800000000, 0.0190922900000000 ] - [ 0.0000000000000000, 0.0008666900000000, -0.0009764300000000 ] - [ 0.0003745300000000, -0.0002162400000000, 0.0065856400000000 ] - [ -0.0003745300000000, -0.0002162400000000, 0.0065856400000000 ] - [ -0.0007505800000000, -0.0004333500000000, -0.0009764300000000 ] - [ 0.0007505800000000, -0.0004333500000000, -0.0009764300000000 ] - [ 0.0000000000000000, 0.0004324700000000, 0.0065856400000000 ] - [ 0.0002559500000000, -0.0001477700000000, -0.0009650500000000 ] - [ 0.0000000000000000, -0.0001361100000000, -0.0011803300000000 ] - [ 0.0001178800000000, 0.0000680600000000, -0.0011803300000000 ] - [ -0.0002559500000000, -0.0001477700000000, -0.0009650500000000 ] - [ -0.0001178800000000, 0.0000680600000000, -0.0011803300000000 ] - [ 0.0000000000000000, 0.0002955400000000, -0.0009650500000000 ] - [ 0.0000035900000000, -0.0000020700000000, -0.0008922400000000 ] - [ 0.0000000000000000, 0.0003058100000000, -0.0013050200000000 ] - [ -0.0000035900000000, -0.0000020700000000, -0.0008922400000000 ] - [ -0.0002648400000000, -0.0001529100000000, -0.0013050200000000 ] - [ 0.0002648400000000, -0.0001529100000000, -0.0013050200000000 ] - [ 0.0000000000000000, 0.0000041500000000, -0.0008922400000000 ] - [ -0.0000024300000000, 0.0000014000000000, -0.0012847300000000 ] - [ 0.0000000000000000, 0.0003210200000000, -0.0012929500000000 ] - [ 0.0000024300000000, 0.0000014000000000, -0.0012847300000000 ] - [ -0.0002780200000000, -0.0001605100000000, -0.0012929500000000 ] - [ 0.0002780200000000, -0.0001605100000000, -0.0012929500000000 ] - [ 0.0000000000000000, -0.0000028100000000, -0.0012847300000000 ] - [ -0.0001240200000000, 0.0000716000000000, -0.0014874500000000 ] - [ 0.0000000000000000, -0.0000139100000000, -0.0012210300000000 ] - [ 0.0001240200000000, 0.0000716000000000, -0.0014874500000000 ] - [ 0.0000120500000000, 0.0000069600000000, -0.0012210300000000 ] - [ 0.0000000000000000, -0.0001432000000000, -0.0014874500000000 ] - [ -0.0000120500000000, 0.0000069600000000, -0.0012210300000000 ] - [ 0.0000000000000000, 0.0000271600000000, -0.0011646100000000 ] - [ 0.0000502400000000, -0.0000290100000000, -0.0011848100000000 ] - [ -0.0000502400000000, -0.0000290100000000, -0.0011848100000000 ] - [ -0.0000235200000000, -0.0000135800000000, -0.0011646100000000 ] - [ 0.0000235200000000, -0.0000135800000000, -0.0011646100000000 ] - [ 0.0000000000000000, 0.0000580100000000, -0.0011848100000000 ] - [ 0.0002659100000000, -0.0001535200000000, -0.0009466000000000 ] - [ 0.0000000000000000, -0.0001411600000000, -0.0011836600000000 ] - [ 0.0001222500000000, 0.0000705800000000, -0.0011836600000000 ] - [ -0.0002659100000000, -0.0001535200000000, -0.0009466000000000 ] - [ -0.0001222500000000, 0.0000705800000000, -0.0011836600000000 ] - [ 0.0000000000000000, 0.0003070500000000, -0.0009466000000000 ] - [ 0.0000018700000000, -0.0000010800000000, -0.0008925400000000 ] - [ 0.0000000000000000, 0.0003050800000000, -0.0013040200000000 ] - [ -0.0000018700000000, -0.0000010800000000, -0.0008925400000000 ] - [ -0.0002642000000000, -0.0001525400000000, -0.0013040200000000 ] - [ 0.0002642000000000, -0.0001525400000000, -0.0013040200000000 ] - [ 0.0000000000000000, 0.0000021600000000, -0.0008925400000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0012870300000000 ] - [ 0.0000000000000000, 0.0003237500000000, -0.0012979800000000 ] - [ 0.0000001100000000, 0.0000000700000000, -0.0012870300000000 ] - [ -0.0002803800000000, -0.0001618800000000, -0.0012979800000000 ] - [ 0.0002803800000000, -0.0001618800000000, -0.0012979800000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0012870300000000 ] - [ -0.0001233900000000, 0.0000712400000000, -0.0014920500000000 ] - [ 0.0000000000000000, -0.0000145300000000, -0.0012206500000000 ] - [ 0.0001233900000000, 0.0000712400000000, -0.0014920500000000 ] - [ 0.0000125800000000, 0.0000072600000000, -0.0012206500000000 ] - [ 0.0000000000000000, -0.0001424700000000, -0.0014920500000000 ] - [ -0.0000125800000000, 0.0000072600000000, -0.0012206500000000 ] - [ 0.0000000000000000, 0.0000250900000000, -0.0011624300000000 ] - [ 0.0000539400000000, -0.0000311400000000, -0.0011908600000000 ] - [ -0.0000539400000000, -0.0000311400000000, -0.0011908600000000 ] - [ -0.0000217300000000, -0.0000125500000000, -0.0011624300000000 ] - [ 0.0000217300000000, -0.0000125500000000, -0.0011624300000000 ] - [ 0.0000000000000000, 0.0000622900000000, -0.0011908600000000 ] - [ 0.0002688800000000, -0.0001552400000000, -0.0009502400000000 ] - [ 0.0000000000000000, -0.0001422300000000, -0.0011819500000000 ] - [ 0.0001231700000000, 0.0000711100000000, -0.0011819500000000 ] - [ -0.0002688800000000, -0.0001552400000000, -0.0009502400000000 ] - [ -0.0001231700000000, 0.0000711100000000, -0.0011819500000000 ] - [ 0.0000000000000000, 0.0003104800000000, -0.0009502400000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010942400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0061617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010827800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010897600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011512900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013197100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013641000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028761800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0914684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029734300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029453400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026315100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028057700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027268600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029479000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010705400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0165277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0123767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012272900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011888200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013788100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011878800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011548700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009098200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016275700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029500300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0130704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017731300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016189700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029331000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017565200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016183700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029325700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027818500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017513000000000 ] - [ -0.0003883300000000, 0.0002242000000000, 0.0012128800000000 ] - [ 0.0000000000000000, -0.0001979600000000, 0.0012260300000000 ] - [ 0.0003883300000000, 0.0002242000000000, 0.0012128800000000 ] - [ 0.0001714400000000, 0.0000989800000000, 0.0012260300000000 ] - [ -0.0001714400000000, 0.0000989800000000, 0.0012260300000000 ] - [ 0.0000000000000000, -0.0004484000000000, 0.0012128800000000 ] - [ -0.0002327000000000, 0.0001343500000000, 0.0013577500000000 ] - [ 0.0000000000000000, -0.0006530300000000, 0.0007807800000000 ] - [ 0.0002327000000000, 0.0001343500000000, 0.0013577500000000 ] - [ 0.0005655400000000, 0.0003265200000000, 0.0007807800000000 ] - [ -0.0005655400000000, 0.0003265200000000, 0.0007807800000000 ] - [ 0.0000000000000000, -0.0002687000000000, 0.0013577500000000 ] - [ -0.0027236300000000, 0.0015724900000000, -0.0125893000000000 ] - [ 0.0000000000000000, 0.0002796800000000, -0.0192579700000000 ] - [ 0.0027236300000000, 0.0015724900000000, -0.0125893000000000 ] - [ -0.0002422100000000, -0.0001398400000000, -0.0192579700000000 ] - [ 0.0000000000000000, -0.0031449700000000, -0.0125893000000000 ] - [ 0.0002422100000000, -0.0001398400000000, -0.0192579700000000 ] - [ 0.0000000000000000, -0.0008805100000000, 0.0013302000000000 ] - [ -0.0006195600000000, 0.0003577000000000, -0.0070233700000000 ] - [ 0.0006195600000000, 0.0003577000000000, -0.0070233700000000 ] - [ 0.0007625400000000, 0.0004402500000000, 0.0013302000000000 ] - [ -0.0007625400000000, 0.0004402500000000, 0.0013302000000000 ] - [ 0.0000000000000000, -0.0007154100000000, -0.0070233700000000 ] - [ -0.0000710900000000, 0.0000410500000000, 0.0011911400000000 ] - [ 0.0000000000000000, -0.0001364800000000, 0.0015240500000000 ] - [ 0.0001182000000000, 0.0000682400000000, 0.0015240500000000 ] - [ 0.0000710900000000, 0.0000410500000000, 0.0011911400000000 ] - [ -0.0001182000000000, 0.0000682400000000, 0.0015240500000000 ] - [ 0.0000000000000000, -0.0000820900000000, 0.0011911400000000 ] - [ -0.0003922100000000, 0.0002264400000000, 0.0012165200000000 ] - [ 0.0000000000000000, -0.0001955700000000, 0.0012217300000000 ] - [ 0.0003922100000000, 0.0002264400000000, 0.0012165200000000 ] - [ 0.0001693600000000, 0.0000977800000000, 0.0012217300000000 ] - [ -0.0001693600000000, 0.0000977800000000, 0.0012217300000000 ] - [ 0.0000000000000000, -0.0004528800000000, 0.0012165200000000 ] - [ -0.0002327900000000, 0.0001344000000000, 0.0013487600000000 ] - [ 0.0000000000000000, -0.0000797300000000, 0.0008438300000000 ] - [ 0.0002327900000000, 0.0001344000000000, 0.0013487600000000 ] - [ 0.0000690400000000, 0.0000398600000000, 0.0008438300000000 ] - [ -0.0000690400000000, 0.0000398600000000, 0.0008438300000000 ] - [ 0.0000000000000000, -0.0002688100000000, 0.0013487600000000 ] - [ -0.0000929000000000, 0.0000536400000000, 0.0012336500000000 ] - [ 0.0000000000000000, 0.0001254500000000, 0.0010596400000000 ] - [ 0.0000929000000000, 0.0000536400000000, 0.0012336500000000 ] - [ -0.0001086400000000, -0.0000627200000000, 0.0010596400000000 ] - [ 0.0000000000000000, -0.0001072700000000, 0.0012336500000000 ] - [ 0.0001086400000000, -0.0000627200000000, 0.0010596400000000 ] - [ 0.0000000000000000, -0.0000321000000000, 0.0015214100000000 ] - [ -0.0001370900000000, 0.0000791500000000, 0.0010657100000000 ] - [ 0.0001370900000000, 0.0000791500000000, 0.0010657100000000 ] - [ 0.0000278000000000, 0.0000160500000000, 0.0015214100000000 ] - [ -0.0000278000000000, 0.0000160500000000, 0.0015214100000000 ] - [ 0.0000000000000000, -0.0001583000000000, 0.0010657100000000 ] - [ -0.0000844200000000, 0.0000487400000000, 0.0011777900000000 ] - [ 0.0000000000000000, -0.0001304600000000, 0.0015217000000000 ] - [ 0.0001129800000000, 0.0000652300000000, 0.0015217000000000 ] - [ 0.0000844200000000, 0.0000487400000000, 0.0011777900000000 ] - [ -0.0001129800000000, 0.0000652300000000, 0.0015217000000000 ] - [ 0.0000000000000000, -0.0000974800000000, 0.0011777900000000 ] - [ -0.0003893900000000, 0.0002248200000000, 0.0012128700000000 ] - [ 0.0000000000000000, -0.0001967400000000, 0.0012219300000000 ] - [ 0.0003893900000000, 0.0002248200000000, 0.0012128700000000 ] - [ 0.0001703800000000, 0.0000983700000000, 0.0012219300000000 ] - [ -0.0001703800000000, 0.0000983700000000, 0.0012219300000000 ] - [ 0.0000000000000000, -0.0004496300000000, 0.0012128700000000 ] - [ -0.0002330100000000, 0.0001345300000000, 0.0013494900000000 ] - [ 0.0000000000000000, -0.0000780500000000, 0.0008408500000000 ] - [ 0.0002330100000000, 0.0001345300000000, 0.0013494900000000 ] - [ 0.0000675900000000, 0.0000390200000000, 0.0008408500000000 ] - [ -0.0000675900000000, 0.0000390200000000, 0.0008408500000000 ] - [ 0.0000000000000000, -0.0002690500000000, 0.0013494900000000 ] - [ -0.0000907500000000, 0.0000523900000000, 0.0012275300000000 ] - [ 0.0000000000000000, 0.0001246300000000, 0.0010597700000000 ] - [ 0.0000907500000000, 0.0000523900000000, 0.0012275300000000 ] - [ -0.0001079300000000, -0.0000623200000000, 0.0010597700000000 ] - [ 0.0000000000000000, -0.0001047900000000, 0.0012275300000000 ] - [ 0.0001079300000000, -0.0000623200000000, 0.0010597700000000 ] - [ 0.0000000000000000, -0.0000323700000000, 0.0015230800000000 ] - [ -0.0001349500000000, 0.0000779100000000, 0.0010607200000000 ] - [ 0.0001349500000000, 0.0000779100000000, 0.0010607200000000 ] - [ 0.0000280300000000, 0.0000161800000000, 0.0015230800000000 ] - [ -0.0000280300000000, 0.0000161800000000, 0.0015230800000000 ] - [ 0.0000000000000000, -0.0001558300000000, 0.0010607200000000 ] - [ -0.0000818700000000, 0.0000472700000000, 0.0011745000000000 ] - [ 0.0000000000000000, -0.0001314400000000, 0.0015236800000000 ] - [ 0.0001138300000000, 0.0000657200000000, 0.0015236800000000 ] - [ 0.0000818700000000, 0.0000472700000000, 0.0011745000000000 ] - [ -0.0001138300000000, 0.0000657200000000, 0.0015236800000000 ] - [ 0.0000000000000000, -0.0000945400000000, 0.0011745000000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000100000000, -0.0000001400000000, 0.0001172400000000 ] - [ 0.0000026500000000, 0.0000001400000000, -0.0000693700000000 ] - [ 0.0006806900000000, -0.0000019400000000, -0.0001456700000000 ] - [ 0.0030721300000000, -0.0000261200000000, 0.0000421600000000 ] - [ -0.0000209800000000, 0.0000000000000000, 0.0001380400000000 ] - [ 0.0000004000000000, 0.0000000300000000, 0.0001211800000000 ] - [ -0.0000001300000000, 0.0000001700000000, -0.0000670900000000 ] - [ -0.0000006100000000, 0.0000001300000000, -0.0001478100000000 ] - [ 0.0000000500000000, 0.0000000900000000, 0.0000647500000000 ] - [ 0.0000000500000000, -0.0000000700000000, 0.0001396400000000 ] - [ 0.0000003200000000, -0.0000001400000000, 0.0001216200000000 ] - [ -0.0000003500000000, 0.0000002600000000, -0.0000661800000000 ] - [ 0.0000005300000000, 0.0000000400000000, -0.0001447400000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0000655800000000 ] - [ 0.0000001800000000, 0.0000000000000000, 0.0001411000000000 ] - [ 0.0000088100000000, -0.0000001000000000, 0.0001003900000000 ] - [ -0.0000690900000000, 0.0000003300000000, -0.0000447000000000 ] - [ 0.0062741600000000, 0.0000552600000000, 0.0000641900000000 ] - [ -0.0455110200000000, -0.0000109600000000, -0.0000421800000000 ] - [ 0.0010426600000000, 0.0000027100000000, -0.0002052400000000 ] - [ -0.0000002000000000, -0.0000000400000000, 0.0001020000000000 ] - [ 0.0000003300000000, -0.0000001500000000, -0.0000507200000000 ] - [ 0.0000000200000000, 0.0000000000000000, -0.0000011800000000 ] - [ 0.0000002600000000, -0.0000001900000000, 0.0000510000000000 ] - [ 0.0000001600000000, 0.0000000800000000, -0.0002055400000000 ] - [ 0.0000002400000000, -0.0000002100000000, 0.0001022700000000 ] - [ 0.0000016400000000, -0.0000003200000000, -0.0000457500000000 ] - [ -0.0000001400000000, 0.0000000500000000, 0.0000038400000000 ] - [ 0.0000001600000000, -0.0000001600000000, 0.0000554100000000 ] - [ -0.0000002900000000, 0.0000001300000000, -0.0002081200000000 ] - [ -0.0000104300000000, -0.0000004200000000, -0.0000062700000000 ] - [ -0.0030308400000000, 0.0000073500000000, -0.0002378000000000 ] - [ 0.0083449100000000, -0.0000789200000000, 0.0001026400000000 ] - [ -0.0020744500000000, -0.0000037900000000, -0.0001930600000000 ] - [ -0.0000131400000000, 0.0000001700000000, -0.0000365000000000 ] - [ 0.0000004800000000, -0.0000003400000000, -0.0000051100000000 ] - [ -0.0000006100000000, 0.0000002600000000, -0.0002213100000000 ] - [ 0.0000026900000000, -0.0000014800000000, 0.0000500200000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0002066000000000 ] - [ -0.0000005900000000, 0.0000002800000000, -0.0000344900000000 ] - [ 0.0000007100000000, -0.0000005100000000, -0.0000039000000000 ] - [ -0.0000006900000000, 0.0000003200000000, -0.0002187800000000 ] - [ 0.0000030800000000, -0.0000016800000000, 0.0000515800000000 ] - [ 0.0000001500000000, 0.0000000500000000, -0.0002085700000000 ] - [ -0.0000006800000000, 0.0000003500000000, -0.0000333800000000 ] - [ -0.0000000300000000, 0.0000000700000000, 0.0004488700000000 ] - [ 0.0000025500000000, -0.0000002000000000, -0.0004672400000000 ] - [ 0.0133829200000000, 0.0001424300000000, 0.0002571400000000 ] - [ 0.0002358900000000, -0.0000010200000000, -0.0006480400000000 ] - [ 0.0001907200000000, 0.0000005700000000, 0.0003558800000000 ] - [ -0.0000003900000000, 0.0000003600000000, 0.0004581900000000 ] - [ 0.0000010000000000, -0.0000005900000000, -0.0004540600000000 ] - [ 0.0000003900000000, -0.0000000800000000, 0.0003424000000000 ] - [ -0.0000007100000000, 0.0000001900000000, -0.0006621100000000 ] - [ -0.0000009000000000, 0.0000004200000000, 0.0003530500000000 ] - [ 0.0000007500000000, 0.0000006600000000, 0.0004583600000000 ] - [ 0.0000002700000000, -0.0000003600000000, -0.0004528900000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0003487000000000 ] - [ -0.0000010600000000, 0.0000004600000000, -0.0006499900000000 ] - [ -0.0000002300000000, -0.0000000500000000, 0.0003579700000000 ] - [ -0.0001937300000000, 0.0001133600000000, 0.0001633300000000 ] - [ -0.0000011800000000, 0.0000544900000000, -0.0000407000000000 ] - [ 0.0001952000000000, 0.0001101300000000, 0.0001597900000000 ] - [ -0.0000476100000000, -0.0000264300000000, -0.0000413600000000 ] - [ 0.0000481200000000, -0.0000279400000000, -0.0000404200000000 ] - [ 0.0000036200000000, -0.0002252000000000, 0.0001626900000000 ] - [ -0.0001224400000000, 0.0000718500000000, 0.0000470900000000 ] - [ -0.0000298900000000, 0.0001261500000000, -0.0002313000000000 ] - [ 0.0001204200000000, 0.0000683600000000, 0.0000353600000000 ] - [ -0.0001023300000000, -0.0000418100000000, -0.0001828100000000 ] - [ 0.0001171900000000, -0.0000849400000000, -0.0002823400000000 ] - [ 0.0000019900000000, -0.0001387600000000, 0.0000409800000000 ] - [ -0.0001851000000000, 0.0004283600000000, 0.0002975200000000 ] - [ 0.0022789600000000, 0.0000635200000000, -0.0000758100000000 ] - [ 0.0000416700000000, -0.0002990400000000, -0.0005421600000000 ] - [ 0.0032928700000000, 0.0005893900000000, -0.0020509600000000 ] - [ 0.0005581900000000, -0.0001300900000000, -0.0001269800000000 ] - [ 0.0035236500000000, -0.0007148700000000, 0.0020556400000000 ] - [ 0.0015067000000000, -0.0000200400000000, 0.0001695700000000 ] - [ 0.0028003000000000, -0.0010349600000000, -0.0006788400000000 ] - [ 0.0028533600000000, 0.0010673100000000, 0.0005343500000000 ] - [ -0.0001535700000000, -0.0009694000000000, 0.0002845300000000 ] - [ -0.0002565300000000, 0.0010071200000000, 0.0000073100000000 ] - [ 0.0010121000000000, -0.0000721600000000, -0.0000526300000000 ] - [ 0.0000549800000000, 0.0001757100000000, 0.0003962400000000 ] - [ -0.0000187300000000, -0.0001397000000000, 0.0001747400000000 ] - [ 0.0001050400000000, 0.0000717700000000, 0.0002417100000000 ] - [ -0.0001359300000000, -0.0002850500000000, -0.0001745300000000 ] - [ -0.0001380200000000, 0.0000692500000000, 0.0001105900000000 ] - [ 0.0003585400000000, 0.0001083000000000, 0.0001138200000000 ] - [ -0.0001926800000000, 0.0001113200000000, 0.0001610500000000 ] - [ -0.0000008200000000, 0.0000590300000000, -0.0000461500000000 ] - [ 0.0001945000000000, 0.0001112800000000, 0.0001625900000000 ] - [ -0.0000515200000000, -0.0000289900000000, -0.0000471300000000 ] - [ 0.0000524000000000, -0.0000302400000000, -0.0000459300000000 ] - [ 0.0000010200000000, -0.0002239900000000, 0.0001627700000000 ] - [ -0.0001206500000000, 0.0000697100000000, 0.0000375800000000 ] - [ 0.0000004500000000, 0.0001213500000000, -0.0002268200000000 ] - [ 0.0001179000000000, 0.0000681800000000, 0.0000352600000000 ] - [ -0.0001044500000000, -0.0000607800000000, -0.0002272300000000 ] - [ 0.0001068700000000, -0.0000616800000000, -0.0002290700000000 ] - [ -0.0000000700000000, -0.0001362100000000, 0.0000361000000000 ] - [ -0.0001099400000000, 0.0000635800000000, -0.0001190000000000 ] - [ 0.0000000300000000, 0.0000566800000000, -0.0000757000000000 ] - [ 0.0001087200000000, 0.0000634800000000, -0.0001203600000000 ] - [ -0.0000491300000000, -0.0000284200000000, -0.0000756700000000 ] - [ -0.0000005700000000, -0.0001262300000000, -0.0001206300000000 ] - [ 0.0000449000000000, -0.0000258400000000, -0.0000735200000000 ] - [ -0.0000008100000000, -0.0000067600000000, 0.0001753500000000 ] - [ -0.0000336000000000, 0.0000194400000000, -0.0000675300000000 ] - [ 0.0000371200000000, 0.0000216500000000, -0.0000655000000000 ] - [ 0.0000051400000000, 0.0000040100000000, 0.0001757300000000 ] - [ -0.0000073100000000, 0.0000043100000000, 0.0001777400000000 ] - [ -0.0000001800000000, -0.0000427900000000, -0.0000659600000000 ] - [ 0.0000947400000000, -0.0000548900000000, 0.0001108100000000 ] - [ -0.0000003500000000, -0.0001401900000000, 0.0001728800000000 ] - [ 0.0001211900000000, 0.0000704900000000, 0.0001734800000000 ] - [ -0.0000920000000000, -0.0000538300000000, 0.0001127900000000 ] - [ -0.0001223100000000, 0.0000707200000000, 0.0001743000000000 ] - [ 0.0000004600000000, 0.0001068100000000, 0.0001133800000000 ] - [ -0.0001922500000000, 0.0001110200000000, 0.0001587900000000 ] - [ -0.0000010500000000, 0.0000596300000000, -0.0000461300000000 ] - [ 0.0001940300000000, 0.0001110300000000, 0.0001603500000000 ] - [ -0.0000522300000000, -0.0000292300000000, -0.0000465000000000 ] - [ 0.0000528400000000, -0.0000305900000000, -0.0000464700000000 ] - [ 0.0000009300000000, -0.0002235100000000, 0.0001605500000000 ] - [ -0.0001187700000000, 0.0000686600000000, 0.0000354300000000 ] - [ 0.0000003500000000, 0.0001186900000000, -0.0002285100000000 ] - [ 0.0001164900000000, 0.0000672900000000, 0.0000335000000000 ] - [ -0.0001024800000000, -0.0000595500000000, -0.0002290500000000 ] - [ 0.0001048700000000, -0.0000605600000000, -0.0002310200000000 ] - [ 0.0000000100000000, -0.0001344900000000, 0.0000342900000000 ] - [ -0.0001040800000000, 0.0000600900000000, -0.0001280500000000 ] - [ 0.0000000100000000, 0.0000557500000000, -0.0000757300000000 ] - [ 0.0001031600000000, 0.0000602300000000, -0.0001291600000000 ] - [ -0.0000484000000000, -0.0000279300000000, -0.0000756800000000 ] - [ -0.0000005900000000, -0.0001195800000000, -0.0001295800000000 ] - [ 0.0000440500000000, -0.0000253200000000, -0.0000734600000000 ] - [ -0.0000007500000000, -0.0000049100000000, 0.0001756000000000 ] - [ -0.0000330600000000, 0.0000191200000000, -0.0000711300000000 ] - [ 0.0000365300000000, 0.0000213800000000, -0.0000689100000000 ] - [ 0.0000036200000000, 0.0000030400000000, 0.0001759400000000 ] - [ -0.0000055500000000, 0.0000032800000000, 0.0001778300000000 ] - [ -0.0000002100000000, -0.0000422700000000, -0.0000693800000000 ] - [ 0.0000956800000000, -0.0000553200000000, 0.0001092300000000 ] - [ -0.0000003400000000, -0.0001396100000000, 0.0001738100000000 ] - [ 0.0001207000000000, 0.0000702300000000, 0.0001743600000000 ] - [ -0.0000930800000000, -0.0000544500000000, 0.0001110600000000 ] - [ -0.0001222100000000, 0.0000707300000000, 0.0001756200000000 ] - [ 0.0000005300000000, 0.0001079700000000, 0.0001116300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0012781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012819000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011263600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010200900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012433300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027548900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102006800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0840823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027549500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025752800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026283000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025814200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0148126400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010953200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008949000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009708100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009032700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010793400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009724500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009009300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024710000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019053600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0264380400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011155200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024810100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023724700000000 ] - [ 0.0000073500000000, -0.0000042400000000, -0.0008706100000000 ] - [ 0.0000000000000000, 0.0002976700000000, -0.0012640400000000 ] - [ -0.0000073500000000, -0.0000042400000000, -0.0008706100000000 ] - [ -0.0002577900000000, -0.0001488400000000, -0.0012640400000000 ] - [ 0.0002577900000000, -0.0001488400000000, -0.0012640400000000 ] - [ 0.0000000000000000, 0.0000084900000000, -0.0008706100000000 ] - [ -0.0000300400000000, 0.0000173400000000, -0.0011934600000000 ] - [ 0.0000000000000000, 0.0003057800000000, -0.0012623700000000 ] - [ 0.0000300400000000, 0.0000173400000000, -0.0011934600000000 ] - [ -0.0002648200000000, -0.0001528900000000, -0.0012623700000000 ] - [ 0.0002648200000000, -0.0001528900000000, -0.0012623700000000 ] - [ 0.0000000000000000, -0.0000346900000000, -0.0011934600000000 ] - [ 0.0005763300000000, -0.0003327500000000, -0.0011490900000000 ] - [ 0.0000000000000000, 0.0034918700000000, 0.0150984700000000 ] - [ -0.0005763300000000, -0.0003327500000000, -0.0011490900000000 ] - [ -0.0030240500000000, -0.0017459400000000, 0.0150984700000000 ] - [ 0.0000000000000000, 0.0006654900000000, -0.0011490900000000 ] - [ 0.0030240500000000, -0.0017459400000000, 0.0150984700000000 ] - [ 0.0000000000000000, -0.0029369800000000, 0.0079232900000000 ] - [ -0.0020394300000000, 0.0011774700000000, 0.0190987400000000 ] - [ 0.0020394300000000, 0.0011774700000000, 0.0190987400000000 ] - [ 0.0025435000000000, 0.0014684900000000, 0.0079232900000000 ] - [ -0.0025435000000000, 0.0014684900000000, 0.0079232900000000 ] - [ 0.0000000000000000, -0.0023549300000000, 0.0190987400000000 ] - [ 0.0004834600000000, -0.0002791200000000, -0.0007941100000000 ] - [ 0.0000000000000000, -0.0001703800000000, -0.0011362000000000 ] - [ 0.0001475500000000, 0.0000851900000000, -0.0011362000000000 ] - [ -0.0004834600000000, -0.0002791200000000, -0.0007941100000000 ] - [ -0.0001475500000000, 0.0000851900000000, -0.0011362000000000 ] - [ 0.0000000000000000, 0.0005582500000000, -0.0007941100000000 ] - [ 0.0000036900000000, -0.0000021300000000, -0.0008681400000000 ] - [ 0.0000000000000000, 0.0003009400000000, -0.0012687600000000 ] - [ -0.0000036900000000, -0.0000021300000000, -0.0008681400000000 ] - [ -0.0002606200000000, -0.0001504700000000, -0.0012687600000000 ] - [ 0.0002606200000000, -0.0001504700000000, -0.0012687600000000 ] - [ 0.0000000000000000, 0.0000042600000000, -0.0008681400000000 ] - [ -0.0000312000000000, 0.0000180200000000, -0.0012003100000000 ] - [ 0.0000000000000000, 0.0003181100000000, -0.0012380400000000 ] - [ 0.0000312000000000, 0.0000180200000000, -0.0012003100000000 ] - [ -0.0002754900000000, -0.0001590600000000, -0.0012380400000000 ] - [ 0.0002754900000000, -0.0001590600000000, -0.0012380400000000 ] - [ 0.0000000000000000, -0.0000360300000000, -0.0012003100000000 ] - [ -0.0001261400000000, 0.0000728200000000, -0.0014421400000000 ] - [ 0.0000000000000000, -0.0000084600000000, -0.0011905400000000 ] - [ 0.0001261400000000, 0.0000728200000000, -0.0014421400000000 ] - [ 0.0000073200000000, 0.0000042300000000, -0.0011905400000000 ] - [ 0.0000000000000000, -0.0001456500000000, -0.0014421400000000 ] - [ -0.0000073200000000, 0.0000042300000000, -0.0011905400000000 ] - [ 0.0000000000000000, 0.0000162100000000, -0.0010888200000000 ] - [ 0.0000418100000000, -0.0000241400000000, -0.0011459300000000 ] - [ -0.0000418100000000, -0.0000241400000000, -0.0011459300000000 ] - [ -0.0000140400000000, -0.0000081000000000, -0.0010888200000000 ] - [ 0.0000140400000000, -0.0000081000000000, -0.0010888200000000 ] - [ 0.0000000000000000, 0.0000482700000000, -0.0011459300000000 ] - [ 0.0002654400000000, -0.0001532500000000, -0.0008975500000000 ] - [ 0.0000000000000000, -0.0001455700000000, -0.0011288500000000 ] - [ 0.0001260600000000, 0.0000727800000000, -0.0011288500000000 ] - [ -0.0002654400000000, -0.0001532500000000, -0.0008975500000000 ] - [ -0.0001260600000000, 0.0000727800000000, -0.0011288500000000 ] - [ 0.0000000000000000, 0.0003065000000000, -0.0008975500000000 ] - [ 0.0000059600000000, -0.0000034400000000, -0.0008719000000000 ] - [ 0.0000000000000000, 0.0003005100000000, -0.0012687400000000 ] - [ -0.0000059600000000, -0.0000034400000000, -0.0008719000000000 ] - [ -0.0002602500000000, -0.0001502600000000, -0.0012687400000000 ] - [ 0.0002602500000000, -0.0001502600000000, -0.0012687400000000 ] - [ 0.0000000000000000, 0.0000068800000000, -0.0008719000000000 ] - [ -0.0000312500000000, 0.0000180400000000, -0.0012003700000000 ] - [ 0.0000000000000000, 0.0003269000000000, -0.0012477300000000 ] - [ 0.0000312500000000, 0.0000180400000000, -0.0012003700000000 ] - [ -0.0002831000000000, -0.0001634500000000, -0.0012477300000000 ] - [ 0.0002831000000000, -0.0001634500000000, -0.0012477300000000 ] - [ 0.0000000000000000, -0.0000360900000000, -0.0012003700000000 ] - [ -0.0001303100000000, 0.0000752300000000, -0.0014422900000000 ] - [ 0.0000000000000000, -0.0000094600000000, -0.0011895600000000 ] - [ 0.0001303100000000, 0.0000752300000000, -0.0014422900000000 ] - [ 0.0000081900000000, 0.0000047300000000, -0.0011895600000000 ] - [ 0.0000000000000000, -0.0001504700000000, -0.0014422900000000 ] - [ -0.0000081900000000, 0.0000047300000000, -0.0011895600000000 ] - [ 0.0000000000000000, 0.0000155600000000, -0.0010873200000000 ] - [ 0.0000436300000000, -0.0000251900000000, -0.0011511100000000 ] - [ -0.0000436300000000, -0.0000251900000000, -0.0011511100000000 ] - [ -0.0000134700000000, -0.0000077800000000, -0.0010873200000000 ] - [ 0.0000134700000000, -0.0000077800000000, -0.0010873200000000 ] - [ 0.0000000000000000, 0.0000503800000000, -0.0011511100000000 ] - [ 0.0002682200000000, -0.0001548600000000, -0.0009010800000000 ] - [ 0.0000000000000000, -0.0001472300000000, -0.0011262800000000 ] - [ 0.0001275000000000, 0.0000736100000000, -0.0011262800000000 ] - [ -0.0002682200000000, -0.0001548600000000, -0.0009010800000000 ] - [ -0.0001275000000000, 0.0000736100000000, -0.0011262800000000 ] - [ 0.0000000000000000, 0.0003097200000000, -0.0009010800000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010453500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016848000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037436700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010416600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012688200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011009900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010418000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012676200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025223500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026956800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101114300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0833315100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029524100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026184000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024549700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028391300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026955100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026133300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024502800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028413100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0148223400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011120000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011399500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008703900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013316100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0273386100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014995600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028334600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017429100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027062300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016715700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015339300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026949300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016668300000000 ] - [ -0.0003760600000000, 0.0002171200000000, 0.0011638400000000 ] - [ 0.0000000000000000, -0.0001950000000000, 0.0011787700000000 ] - [ 0.0003760600000000, 0.0002171200000000, 0.0011638400000000 ] - [ 0.0001688800000000, 0.0000975000000000, 0.0011787700000000 ] - [ -0.0001688800000000, 0.0000975000000000, 0.0011787700000000 ] - [ 0.0000000000000000, -0.0004342300000000, 0.0011638400000000 ] - [ -0.0002350300000000, 0.0001357000000000, 0.0012988000000000 ] - [ 0.0000000000000000, -0.0000556700000000, 0.0008185300000000 ] - [ 0.0002350300000000, 0.0001357000000000, 0.0012988000000000 ] - [ 0.0000482100000000, 0.0000278300000000, 0.0008185300000000 ] - [ -0.0000482100000000, 0.0000278300000000, 0.0008185300000000 ] - [ 0.0000000000000000, -0.0002713900000000, 0.0012988000000000 ] - [ -0.0007848700000000, 0.0004531500000000, 0.0008733600000000 ] - [ 0.0000000000000000, -0.0030084400000000, -0.0147425800000000 ] - [ 0.0007848700000000, 0.0004531500000000, 0.0008733600000000 ] - [ 0.0026053800000000, 0.0015042200000000, -0.0147425800000000 ] - [ 0.0000000000000000, -0.0009062900000000, 0.0008733600000000 ] - [ -0.0026053800000000, 0.0015042200000000, -0.0147425800000000 ] - [ 0.0000000000000000, 0.0027936700000000, -0.0078316100000000 ] - [ 0.0019540100000000, -0.0011281500000000, -0.0192199900000000 ] - [ -0.0019540100000000, -0.0011281500000000, -0.0192199900000000 ] - [ -0.0024193900000000, -0.0013968300000000, -0.0078316100000000 ] - [ 0.0024193900000000, -0.0013968300000000, -0.0078316100000000 ] - [ 0.0000000000000000, 0.0022563000000000, -0.0192199900000000 ] - [ -0.0002941500000000, 0.0001698300000000, 0.0010291400000000 ] - [ 0.0000000000000000, -0.0001089300000000, 0.0014816600000000 ] - [ 0.0000943300000000, 0.0000544600000000, 0.0014816600000000 ] - [ 0.0002941500000000, 0.0001698300000000, 0.0010291400000000 ] - [ -0.0000943300000000, 0.0000544600000000, 0.0014816600000000 ] - [ 0.0000000000000000, -0.0003396600000000, 0.0010291400000000 ] - [ -0.0003767000000000, 0.0002174900000000, 0.0011674500000000 ] - [ 0.0000000000000000, -0.0001909000000000, 0.0011721200000000 ] - [ 0.0003767000000000, 0.0002174900000000, 0.0011674500000000 ] - [ 0.0001653200000000, 0.0000954500000000, 0.0011721200000000 ] - [ -0.0001653200000000, 0.0000954500000000, 0.0011721200000000 ] - [ 0.0000000000000000, -0.0004349800000000, 0.0011674500000000 ] - [ -0.0002301100000000, 0.0001328500000000, 0.0012980700000000 ] - [ 0.0000000000000000, -0.0000728700000000, 0.0008029700000000 ] - [ 0.0002301100000000, 0.0001328500000000, 0.0012980700000000 ] - [ 0.0000631100000000, 0.0000364300000000, 0.0008029700000000 ] - [ -0.0000631100000000, 0.0000364300000000, 0.0008029700000000 ] - [ 0.0000000000000000, -0.0002657100000000, 0.0012980700000000 ] - [ -0.0000921300000000, 0.0000531900000000, 0.0011754300000000 ] - [ 0.0000000000000000, 0.0001220700000000, 0.0010141200000000 ] - [ 0.0000921300000000, 0.0000531900000000, 0.0011754300000000 ] - [ -0.0001057200000000, -0.0000610400000000, 0.0010141200000000 ] - [ 0.0000000000000000, -0.0001063800000000, 0.0011754300000000 ] - [ 0.0001057200000000, -0.0000610400000000, 0.0010141200000000 ] - [ 0.0000000000000000, -0.0000289500000000, 0.0014679900000000 ] - [ -0.0001344500000000, 0.0000776200000000, 0.0010221500000000 ] - [ 0.0001344500000000, 0.0000776200000000, 0.0010221500000000 ] - [ 0.0000250700000000, 0.0000144800000000, 0.0014679900000000 ] - [ -0.0000250700000000, 0.0000144800000000, 0.0014679900000000 ] - [ 0.0000000000000000, -0.0001552500000000, 0.0010221500000000 ] - [ -0.0000776900000000, 0.0000448600000000, 0.0011364700000000 ] - [ 0.0000000000000000, -0.0001304300000000, 0.0014667800000000 ] - [ 0.0001129600000000, 0.0000652200000000, 0.0014667800000000 ] - [ 0.0000776900000000, 0.0000448600000000, 0.0011364700000000 ] - [ -0.0001129600000000, 0.0000652200000000, 0.0014667800000000 ] - [ 0.0000000000000000, -0.0000897100000000, 0.0011364700000000 ] - [ -0.0003754000000000, 0.0002167400000000, 0.0011638800000000 ] - [ 0.0000000000000000, -0.0001907800000000, 0.0011722600000000 ] - [ 0.0003754000000000, 0.0002167400000000, 0.0011638800000000 ] - [ 0.0001652200000000, 0.0000953900000000, 0.0011722600000000 ] - [ -0.0001652200000000, 0.0000953900000000, 0.0011722600000000 ] - [ 0.0000000000000000, -0.0004334800000000, 0.0011638800000000 ] - [ -0.0002295900000000, 0.0001325500000000, 0.0012976500000000 ] - [ 0.0000000000000000, -0.0000713600000000, 0.0007986800000000 ] - [ 0.0002295900000000, 0.0001325500000000, 0.0012976500000000 ] - [ 0.0000618000000000, 0.0000356800000000, 0.0007986800000000 ] - [ -0.0000618000000000, 0.0000356800000000, 0.0007986800000000 ] - [ 0.0000000000000000, -0.0002651100000000, 0.0012976500000000 ] - [ -0.0000902200000000, 0.0000520900000000, 0.0011697700000000 ] - [ 0.0000000000000000, 0.0001212700000000, 0.0010138900000000 ] - [ 0.0000902200000000, 0.0000520900000000, 0.0011697700000000 ] - [ -0.0001050200000000, -0.0000606300000000, 0.0010138900000000 ] - [ 0.0000000000000000, -0.0001041700000000, 0.0011697700000000 ] - [ 0.0001050200000000, -0.0000606300000000, 0.0010138900000000 ] - [ 0.0000000000000000, -0.0000306400000000, 0.0014713600000000 ] - [ -0.0001316200000000, 0.0000759900000000, 0.0010165000000000 ] - [ 0.0001316200000000, 0.0000759900000000, 0.0010165000000000 ] - [ 0.0000265300000000, 0.0000153200000000, 0.0014713600000000 ] - [ -0.0000265300000000, 0.0000153200000000, 0.0014713600000000 ] - [ 0.0000000000000000, -0.0001519900000000, 0.0010165000000000 ] - [ -0.0000752600000000, 0.0000434500000000, 0.0011336800000000 ] - [ 0.0000000000000000, -0.0001312700000000, 0.0014685100000000 ] - [ 0.0001136900000000, 0.0000656400000000, 0.0014685100000000 ] - [ 0.0000752600000000, 0.0000434500000000, 0.0011336800000000 ] - [ -0.0001136900000000, 0.0000656400000000, 0.0014685100000000 ] - [ 0.0000000000000000, -0.0000869000000000, 0.0011336800000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003000000000, -0.0000001100000000, 0.0001171300000000 ] - [ -0.0000001400000000, 0.0000001000000000, -0.0000750500000000 ] - [ 0.0000049100000000, 0.0000000100000000, -0.0001453000000000 ] - [ 0.0031815400000000, 0.0000280300000000, 0.0000984200000000 ] - [ 0.0033572100000000, -0.0000283600000000, 0.0001104500000000 ] - [ 0.0000004500000000, 0.0000000000000000, 0.0001207200000000 ] - [ -0.0000002100000000, 0.0000001900000000, -0.0000722700000000 ] - [ -0.0000000200000000, 0.0000000600000000, -0.0001487200000000 ] - [ -0.0000002800000000, 0.0000001100000000, 0.0000675200000000 ] - [ 0.0000002600000000, -0.0000001000000000, 0.0001390500000000 ] - [ -0.0000181200000000, -0.0000002200000000, 0.0001208300000000 ] - [ 0.0000028200000000, 0.0000002500000000, -0.0000712400000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0001456800000000 ] - [ 0.0000002000000000, -0.0000000200000000, 0.0000683000000000 ] - [ 0.0000003600000000, -0.0000002800000000, 0.0001391200000000 ] - [ 0.0012591800000000, 0.0000036100000000, 0.0001148400000000 ] - [ -0.0000008400000000, 0.0000000600000000, -0.0000527500000000 ] - [ -0.0000630700000000, -0.0000000100000000, 0.0000145000000000 ] - [ 0.0010422600000000, -0.0000029000000000, 0.0000571100000000 ] - [ -0.0388987200000000, -0.0000358600000000, -0.0001895700000000 ] - [ -0.0000001100000000, 0.0000000300000000, 0.0001159400000000 ] - [ 0.0000003500000000, -0.0000001600000000, -0.0000585600000000 ] - [ -0.0000000100000000, -0.0000000700000000, 0.0000070900000000 ] - [ 0.0000001400000000, -0.0000002100000000, 0.0000553800000000 ] - [ 0.0000000500000000, -0.0000000600000000, -0.0002221500000000 ] - [ 0.0000000500000000, -0.0000002000000000, 0.0001163500000000 ] - [ -0.0000005100000000, -0.0000000300000000, -0.0000523000000000 ] - [ -0.0000001900000000, 0.0000000200000000, 0.0000117300000000 ] - [ 0.0000002400000000, -0.0000001500000000, 0.0000600500000000 ] - [ -0.0000002100000000, 0.0000000700000000, -0.0002246400000000 ] - [ 0.0000005200000000, -0.0000003700000000, -0.0000075800000000 ] - [ -0.0000188600000000, 0.0000004800000000, -0.0002153800000000 ] - [ 0.0001308300000000, -0.0000018700000000, 0.0000535300000000 ] - [ 0.0079470200000000, -0.0000802000000000, -0.0001638000000000 ] - [ -0.0022804700000000, -0.0000046400000000, -0.0000206800000000 ] - [ 0.0000005000000000, -0.0000002800000000, -0.0000064000000000 ] - [ -0.0000006000000000, 0.0000002600000000, -0.0002166600000000 ] - [ 0.0000027100000000, -0.0000014500000000, 0.0000495500000000 ] - [ 0.0000003300000000, -0.0000000900000000, -0.0002151400000000 ] - [ -0.0000006400000000, 0.0000002400000000, -0.0000317100000000 ] - [ 0.0000017900000000, -0.0000004200000000, -0.0000046400000000 ] - [ -0.0000006600000000, 0.0000002900000000, -0.0002145000000000 ] - [ 0.0000030800000000, -0.0000016600000000, 0.0000511500000000 ] - [ 0.0000001800000000, 0.0000000100000000, -0.0002173200000000 ] - [ -0.0000007500000000, 0.0000003200000000, -0.0000306500000000 ] - [ -0.0000000100000000, -0.0000000300000000, 0.0004640200000000 ] - [ 0.0000004300000000, -0.0000002000000000, -0.0004681800000000 ] - [ -0.0055020400000000, 0.0000104600000000, 0.0003112900000000 ] - [ 0.0000028300000000, -0.0000000800000000, -0.0006556400000000 ] - [ 0.0150007700000000, 0.0001613100000000, 0.0002601600000000 ] - [ -0.0000006300000000, 0.0000002900000000, 0.0004730800000000 ] - [ 0.0000011100000000, -0.0000005600000000, -0.0004550000000000 ] - [ 0.0000002500000000, -0.0000000600000000, 0.0003368400000000 ] - [ -0.0000004400000000, 0.0000002900000000, -0.0006677600000000 ] - [ -0.0000007400000000, 0.0000004400000000, 0.0003471600000000 ] - [ 0.0002157200000000, 0.0000012100000000, 0.0004724500000000 ] - [ -0.0000288700000000, -0.0000003800000000, -0.0004546400000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0003440500000000 ] - [ -0.0000011900000000, 0.0000005700000000, -0.0006559500000000 ] - [ -0.0000000200000000, -0.0000000300000000, 0.0003519100000000 ] - [ -0.0002361900000000, 0.0003618600000000, 0.0004738300000000 ] - [ -0.0000009400000000, 0.0000520300000000, -0.0000426100000000 ] - [ 0.0001315700000000, -0.0001486000000000, -0.0001761700000000 ] - [ -0.0000455900000000, -0.0000254400000000, -0.0000434700000000 ] - [ 0.0000459500000000, -0.0000265200000000, -0.0000419100000000 ] - [ 0.0003898200000000, -0.0002141700000000, 0.0001518700000000 ] - [ -0.0001317600000000, 0.0000761200000000, 0.0000520900000000 ] - [ -0.0000000300000000, 0.0001232900000000, -0.0002216000000000 ] - [ 0.0001292500000000, 0.0000746300000000, 0.0000498400000000 ] - [ -0.0001064800000000, -0.0000616800000000, -0.0002217500000000 ] - [ 0.0001084400000000, -0.0000628700000000, -0.0002241000000000 ] - [ 0.0000000400000000, -0.0001493800000000, 0.0000507900000000 ] - [ -0.0001072000000000, 0.0000639600000000, -0.0001311100000000 ] - [ -0.0000250900000000, 0.0000588500000000, -0.0000907400000000 ] - [ 0.0001071000000000, 0.0000605000000000, -0.0001448400000000 ] - [ -0.0000741800000000, -0.0000283700000000, -0.0000045700000000 ] - [ 0.0000029300000000, -0.0001231300000000, -0.0001391100000000 ] - [ 0.0000235300000000, -0.0000280100000000, -0.0001750200000000 ] - [ 0.0019986800000000, -0.0000012100000000, 0.0001984300000000 ] - [ -0.0000993900000000, 0.0003792500000000, 0.0004182700000000 ] - [ -0.0000036900000000, -0.0003267600000000, -0.0005440400000000 ] - [ 0.0026112100000000, 0.0003626000000000, 0.0014149000000000 ] - [ 0.0027008800000000, -0.0003965900000000, -0.0009465400000000 ] - [ 0.0005598900000000, -0.0000553100000000, -0.0000653300000000 ] - [ 0.0027542900000000, -0.0018510800000000, -0.0004242200000000 ] - [ 0.0017045300000000, -0.0001570300000000, 0.0001677500000000 ] - [ 0.0002488800000000, -0.0008509300000000, -0.0003121900000000 ] - [ 0.0025499800000000, 0.0017300200000000, 0.0006469600000000 ] - [ -0.0001007500000000, 0.0010316500000000, 0.0005805400000000 ] - [ -0.0004430700000000, 0.0000822900000000, 0.0001360500000000 ] - [ -0.0001864700000000, 0.0001076100000000, 0.0001498400000000 ] - [ -0.0000008600000000, 0.0000549100000000, -0.0000474800000000 ] - [ 0.0001881700000000, 0.0001076000000000, 0.0001514600000000 ] - [ -0.0000480100000000, -0.0000269400000000, -0.0000483500000000 ] - [ 0.0000487000000000, -0.0000281000000000, -0.0000471100000000 ] - [ 0.0000009100000000, -0.0002166600000000, 0.0001516000000000 ] - [ -0.0001305700000000, 0.0000754000000000, 0.0000486000000000 ] - [ 0.0000004400000000, 0.0001215400000000, -0.0002178800000000 ] - [ 0.0001277100000000, 0.0000738200000000, 0.0000462800000000 ] - [ -0.0001049600000000, -0.0000611200000000, -0.0002185200000000 ] - [ 0.0001071700000000, -0.0000619000000000, -0.0002201000000000 ] - [ -0.0000000600000000, -0.0001476300000000, 0.0000471700000000 ] - [ -0.0001094500000000, 0.0000632000000000, -0.0001324500000000 ] - [ 0.0000000300000000, 0.0000584900000000, -0.0000887000000000 ] - [ 0.0001081800000000, 0.0000632200000000, -0.0001337600000000 ] - [ -0.0000506000000000, -0.0000292900000000, -0.0000884400000000 ] - [ -0.0000006800000000, -0.0001251300000000, -0.0001341700000000 ] - [ 0.0000464100000000, -0.0000267600000000, -0.0000864000000000 ] - [ -0.0000008100000000, -0.0000071400000000, 0.0001899300000000 ] - [ -0.0000436800000000, 0.0000252000000000, -0.0000629200000000 ] - [ 0.0000470900000000, 0.0000273900000000, -0.0000608000000000 ] - [ 0.0000055400000000, 0.0000042200000000, 0.0001902000000000 ] - [ -0.0000079500000000, 0.0000046600000000, 0.0001923900000000 ] - [ -0.0000001600000000, -0.0000544800000000, -0.0000613800000000 ] - [ 0.0000955200000000, -0.0000552500000000, 0.0001176200000000 ] - [ -0.0000003100000000, -0.0001380500000000, 0.0001691000000000 ] - [ 0.0001192100000000, 0.0000692900000000, 0.0001695400000000 ] - [ -0.0000928600000000, -0.0000542400000000, 0.0001196100000000 ] - [ -0.0001205300000000, 0.0000697000000000, 0.0001705800000000 ] - [ 0.0000004600000000, 0.0001076800000000, 0.0001201600000000 ] - [ -0.0001846900000000, 0.0001065600000000, 0.0001466800000000 ] - [ -0.0000193900000000, 0.0000550100000000, -0.0000478400000000 ] - [ 0.0001864700000000, 0.0001066400000000, 0.0001482500000000 ] - [ -0.0000539800000000, -0.0000197200000000, 0.0000316300000000 ] - [ 0.0000428400000000, -0.0000354600000000, -0.0001271200000000 ] - [ 0.0000008900000000, -0.0002146300000000, 0.0001483900000000 ] - [ -0.0001309100000000, 0.0000777300000000, 0.0000525400000000 ] - [ 0.0000002000000000, 0.0001242700000000, -0.0002230700000000 ] - [ 0.0001272900000000, 0.0000713800000000, 0.0000420700000000 ] - [ -0.0001073300000000, -0.0000623300000000, -0.0002233800000000 ] - [ 0.0001096800000000, -0.0000634700000000, -0.0002256100000000 ] - [ 0.0000036800000000, -0.0001477300000000, 0.0000471600000000 ] - [ -0.0001082500000000, 0.0000625200000000, -0.0001375200000000 ] - [ -0.0000000600000000, 0.0000577100000000, -0.0000886500000000 ] - [ 0.0001073100000000, 0.0000626000000000, -0.0001387600000000 ] - [ -0.0000499900000000, -0.0000288500000000, -0.0000883500000000 ] - [ -0.0000005700000000, -0.0001240400000000, -0.0001391200000000 ] - [ 0.0000456200000000, -0.0000263100000000, -0.0000862600000000 ] - [ -0.0000007600000000, -0.0000081600000000, 0.0001919600000000 ] - [ -0.0000414000000000, 0.0000238700000000, -0.0000680700000000 ] - [ 0.0000447800000000, 0.0000261200000000, -0.0000659300000000 ] - [ 0.0000064500000000, 0.0000046600000000, 0.0001922500000000 ] - [ -0.0000085800000000, 0.0000050000000000, 0.0001942500000000 ] - [ -0.0000002500000000, -0.0000518300000000, -0.0000665400000000 ] - [ 0.0000978200000000, -0.0000565900000000, 0.0001146300000000 ] - [ -0.0000004000000000, -0.0001388500000000, 0.0001710100000000 ] - [ 0.0001198900000000, 0.0000697700000000, 0.0001715000000000 ] - [ -0.0000952300000000, -0.0000556300000000, 0.0001165800000000 ] - [ -0.0001215900000000, 0.0000702900000000, 0.0001727500000000 ] - [ 0.0000004600000000, 0.0001104600000000, 0.0001170800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0013260500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011727800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013562100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013248500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011765200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013579800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0760051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027396800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025093800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028664300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009244700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0156336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009408300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011254600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011413400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010125400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025575500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0119502900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0278020100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020206000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014486000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024516300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020314400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014606700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024561500000000 ] - [ 0.0002525600000000, -0.0001458200000000, -0.0008126800000000 ] - [ 0.0000000000000000, 0.0003052800000000, -0.0013131400000000 ] - [ -0.0002525600000000, -0.0001458200000000, -0.0008126800000000 ] - [ -0.0002643800000000, -0.0001526400000000, -0.0013131400000000 ] - [ 0.0002643800000000, -0.0001526400000000, -0.0013131400000000 ] - [ 0.0000000000000000, 0.0002916400000000, -0.0008126800000000 ] - [ -0.0000249600000000, 0.0000144100000000, -0.0012508900000000 ] - [ 0.0000000000000000, 0.0003256100000000, -0.0012816600000000 ] - [ 0.0000249600000000, 0.0000144100000000, -0.0012508900000000 ] - [ -0.0002819900000000, -0.0001628100000000, -0.0012816600000000 ] - [ 0.0002819900000000, -0.0001628100000000, -0.0012816600000000 ] - [ 0.0000000000000000, -0.0000288200000000, -0.0012508900000000 ] - [ -0.0001222500000000, 0.0000705800000000, -0.0015002800000000 ] - [ 0.0000000000000000, -0.0000221000000000, -0.0012512500000000 ] - [ 0.0001222500000000, 0.0000705800000000, -0.0015002800000000 ] - [ 0.0000191400000000, 0.0000110500000000, -0.0012512500000000 ] - [ 0.0000000000000000, -0.0001411700000000, -0.0015002800000000 ] - [ -0.0000191400000000, 0.0000110500000000, -0.0012512500000000 ] - [ 0.0000000000000000, 0.0009301000000000, 0.0094237500000000 ] - [ 0.0004927700000000, -0.0002845000000000, -0.0011450300000000 ] - [ -0.0004927700000000, -0.0002845000000000, -0.0011450300000000 ] - [ -0.0008054900000000, -0.0004650500000000, 0.0094237500000000 ] - [ 0.0008054900000000, -0.0004650500000000, 0.0094237500000000 ] - [ 0.0000000000000000, 0.0005690000000000, -0.0011450300000000 ] - [ -0.0028078900000000, 0.0016211300000000, 0.0181582300000000 ] - [ 0.0000000000000000, -0.0020792200000000, 0.0099987800000000 ] - [ 0.0018006600000000, 0.0010396100000000, 0.0099987800000000 ] - [ 0.0028078900000000, 0.0016211300000000, 0.0181582300000000 ] - [ -0.0018006600000000, 0.0010396100000000, 0.0099987800000000 ] - [ 0.0000000000000000, -0.0032422700000000, 0.0181582300000000 ] - [ 0.0000111300000000, -0.0000064300000000, -0.0009104800000000 ] - [ 0.0000000000000000, 0.0003080400000000, -0.0013178900000000 ] - [ -0.0000111300000000, -0.0000064300000000, -0.0009104800000000 ] - [ -0.0002667700000000, -0.0001540200000000, -0.0013178900000000 ] - [ 0.0002667700000000, -0.0001540200000000, -0.0013178900000000 ] - [ 0.0000000000000000, 0.0000128600000000, -0.0009104800000000 ] - [ -0.0000233200000000, 0.0000134700000000, -0.0012539900000000 ] - [ 0.0000000000000000, 0.0003274600000000, -0.0012799700000000 ] - [ 0.0000233200000000, 0.0000134700000000, -0.0012539900000000 ] - [ -0.0002835900000000, -0.0001637300000000, -0.0012799700000000 ] - [ 0.0002835900000000, -0.0001637300000000, -0.0012799700000000 ] - [ 0.0000000000000000, -0.0000269300000000, -0.0012539900000000 ] - [ -0.0001281600000000, 0.0000739900000000, -0.0014939500000000 ] - [ 0.0000000000000000, -0.0000117300000000, -0.0012371900000000 ] - [ 0.0001281600000000, 0.0000739900000000, -0.0014939500000000 ] - [ 0.0000101600000000, 0.0000058600000000, -0.0012371900000000 ] - [ 0.0000000000000000, -0.0001479800000000, -0.0014939500000000 ] - [ -0.0000101600000000, 0.0000058600000000, -0.0012371900000000 ] - [ 0.0000000000000000, 0.0000191200000000, -0.0011448700000000 ] - [ 0.0000459800000000, -0.0000265400000000, -0.0011925900000000 ] - [ -0.0000459800000000, -0.0000265400000000, -0.0011925900000000 ] - [ -0.0000165600000000, -0.0000095600000000, -0.0011448700000000 ] - [ 0.0000165600000000, -0.0000095600000000, -0.0011448700000000 ] - [ 0.0000000000000000, 0.0000530900000000, -0.0011925900000000 ] - [ 0.0002713900000000, -0.0001566800000000, -0.0009392600000000 ] - [ 0.0000000000000000, -0.0001449700000000, -0.0011839800000000 ] - [ 0.0001255500000000, 0.0000724800000000, -0.0011839800000000 ] - [ -0.0002713900000000, -0.0001566800000000, -0.0009392600000000 ] - [ -0.0001255500000000, 0.0000724800000000, -0.0011839800000000 ] - [ 0.0000000000000000, 0.0003133700000000, -0.0009392600000000 ] - [ 0.0000126500000000, -0.0000073100000000, -0.0009139700000000 ] - [ 0.0000000000000000, 0.0002897800000000, -0.0013309400000000 ] - [ -0.0000126500000000, -0.0000073100000000, -0.0009139700000000 ] - [ -0.0002509500000000, -0.0001448900000000, -0.0013309400000000 ] - [ 0.0002509500000000, -0.0001448900000000, -0.0013309400000000 ] - [ 0.0000000000000000, 0.0000146100000000, -0.0009139700000000 ] - [ -0.0000224100000000, 0.0000129400000000, -0.0012534900000000 ] - [ 0.0000000000000000, 0.0003296900000000, -0.0012846800000000 ] - [ 0.0000224100000000, 0.0000129400000000, -0.0012534900000000 ] - [ -0.0002855200000000, -0.0001648500000000, -0.0012846800000000 ] - [ 0.0002855200000000, -0.0001648500000000, -0.0012846800000000 ] - [ 0.0000000000000000, -0.0000258700000000, -0.0012534900000000 ] - [ -0.0001267200000000, 0.0000731600000000, -0.0014993000000000 ] - [ 0.0000000000000000, -0.0000126100000000, -0.0012368900000000 ] - [ 0.0001267200000000, 0.0000731600000000, -0.0014993000000000 ] - [ 0.0000109200000000, 0.0000063000000000, -0.0012368900000000 ] - [ 0.0000000000000000, -0.0001463200000000, -0.0014993000000000 ] - [ -0.0000109200000000, 0.0000063000000000, -0.0012368900000000 ] - [ 0.0000000000000000, 0.0000185600000000, -0.0011429400000000 ] - [ 0.0000476100000000, -0.0000274900000000, -0.0011973700000000 ] - [ -0.0000476100000000, -0.0000274900000000, -0.0011973700000000 ] - [ -0.0000160800000000, -0.0000092800000000, -0.0011429400000000 ] - [ 0.0000160800000000, -0.0000092800000000, -0.0011429400000000 ] - [ 0.0000000000000000, 0.0000549700000000, -0.0011973700000000 ] - [ 0.0002736300000000, -0.0001579800000000, -0.0009418800000000 ] - [ 0.0000000000000000, -0.0001459400000000, -0.0011819600000000 ] - [ 0.0001263800000000, 0.0000729700000000, -0.0011819600000000 ] - [ -0.0002736300000000, -0.0001579800000000, -0.0009418800000000 ] - [ -0.0001263800000000, 0.0000729700000000, -0.0011819600000000 ] - [ 0.0000000000000000, 0.0003159600000000, -0.0009418800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013608900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013632100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011541800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010774400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010800600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027431100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026771500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0753562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029514000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027175500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011565500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013764000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008171600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059075600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013727800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009102000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013702100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009088400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013796900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029442600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027733500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0287167100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016164100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029320300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029405000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017505100000000 ] - [ -0.0006228700000000, 0.0003596100000000, 0.0011118300000000 ] - [ 0.0000000000000000, -0.0002067600000000, 0.0012294800000000 ] - [ 0.0006228700000000, 0.0003596100000000, 0.0011118300000000 ] - [ 0.0001790600000000, 0.0001033800000000, 0.0012294800000000 ] - [ -0.0001790600000000, 0.0001033800000000, 0.0012294800000000 ] - [ 0.0000000000000000, -0.0007192300000000, 0.0011118300000000 ] - [ -0.0002294000000000, 0.0001324400000000, 0.0013461800000000 ] - [ 0.0000000000000000, -0.0000805800000000, 0.0008317300000000 ] - [ 0.0002294000000000, 0.0001324400000000, 0.0013461800000000 ] - [ 0.0000697800000000, 0.0000402900000000, 0.0008317300000000 ] - [ -0.0000697800000000, 0.0000402900000000, 0.0008317300000000 ] - [ 0.0000000000000000, -0.0002648900000000, 0.0013461800000000 ] - [ -0.0000916400000000, 0.0000529100000000, 0.0012275000000000 ] - [ 0.0000000000000000, 0.0001353500000000, 0.0010784600000000 ] - [ 0.0000916400000000, 0.0000529100000000, 0.0012275000000000 ] - [ -0.0001172200000000, -0.0000676800000000, 0.0010784600000000 ] - [ 0.0000000000000000, -0.0001058200000000, 0.0012275000000000 ] - [ 0.0001172200000000, -0.0000676800000000, 0.0010784600000000 ] - [ 0.0000000000000000, -0.0007184700000000, -0.0086896400000000 ] - [ -0.0005777000000000, 0.0003335300000000, 0.0010157600000000 ] - [ 0.0005777000000000, 0.0003335300000000, 0.0010157600000000 ] - [ 0.0006222100000000, 0.0003592300000000, -0.0086896400000000 ] - [ -0.0006222100000000, 0.0003592300000000, -0.0086896400000000 ] - [ 0.0000000000000000, -0.0006670700000000, 0.0010157600000000 ] - [ 0.0030055500000000, -0.0017352500000000, -0.0179279800000000 ] - [ 0.0000000000000000, 0.0016156700000000, -0.0100073600000000 ] - [ -0.0013992100000000, -0.0008078300000000, -0.0100073600000000 ] - [ -0.0030055500000000, -0.0017352500000000, -0.0179279800000000 ] - [ 0.0013992100000000, -0.0008078300000000, -0.0100073600000000 ] - [ 0.0000000000000000, 0.0034705100000000, -0.0179279800000000 ] - [ -0.0003818800000000, 0.0002204800000000, 0.0012134600000000 ] - [ 0.0000000000000000, -0.0002048000000000, 0.0012250900000000 ] - [ 0.0003818800000000, 0.0002204800000000, 0.0012134600000000 ] - [ 0.0001773600000000, 0.0001024000000000, 0.0012250900000000 ] - [ -0.0001773600000000, 0.0001024000000000, 0.0012250900000000 ] - [ 0.0000000000000000, -0.0004409600000000, 0.0012134600000000 ] - [ -0.0002256400000000, 0.0001302700000000, 0.0013405600000000 ] - [ 0.0000000000000000, -0.0000830300000000, 0.0008357300000000 ] - [ 0.0002256400000000, 0.0001302700000000, 0.0013405600000000 ] - [ 0.0000719000000000, 0.0000415100000000, 0.0008357300000000 ] - [ -0.0000719000000000, 0.0000415100000000, 0.0008357300000000 ] - [ 0.0000000000000000, -0.0002605400000000, 0.0013405600000000 ] - [ -0.0000914400000000, 0.0000527900000000, 0.0012331700000000 ] - [ 0.0000000000000000, 0.0001240500000000, 0.0010690900000000 ] - [ 0.0000914400000000, 0.0000527900000000, 0.0012331700000000 ] - [ -0.0001074300000000, -0.0000620200000000, 0.0010690900000000 ] - [ 0.0000000000000000, -0.0001055800000000, 0.0012331700000000 ] - [ 0.0001074300000000, -0.0000620200000000, 0.0010690900000000 ] - [ 0.0000000000000000, -0.0000307800000000, 0.0015180700000000 ] - [ -0.0001369200000000, 0.0000790500000000, 0.0010676000000000 ] - [ 0.0001369200000000, 0.0000790500000000, 0.0010676000000000 ] - [ 0.0000266600000000, 0.0000153900000000, 0.0015180700000000 ] - [ -0.0000266600000000, 0.0000153900000000, 0.0015180700000000 ] - [ 0.0000000000000000, -0.0001581000000000, 0.0010676000000000 ] - [ -0.0000847000000000, 0.0000489000000000, 0.0011742100000000 ] - [ 0.0000000000000000, -0.0001311800000000, 0.0015228200000000 ] - [ 0.0001136100000000, 0.0000655900000000, 0.0015228200000000 ] - [ 0.0000847000000000, 0.0000489000000000, 0.0011742100000000 ] - [ -0.0001136100000000, 0.0000655900000000, 0.0015228200000000 ] - [ 0.0000000000000000, -0.0000978100000000, 0.0011742100000000 ] - [ -0.0003803700000000, 0.0002196100000000, 0.0012099100000000 ] - [ 0.0000000000000000, -0.0001870800000000, 0.0012389600000000 ] - [ 0.0003803700000000, 0.0002196100000000, 0.0012099100000000 ] - [ 0.0001620100000000, 0.0000935400000000, 0.0012389600000000 ] - [ -0.0001620100000000, 0.0000935400000000, 0.0012389600000000 ] - [ 0.0000000000000000, -0.0004392200000000, 0.0012099100000000 ] - [ -0.0002261300000000, 0.0001305600000000, 0.0013395000000000 ] - [ 0.0000000000000000, -0.0000826800000000, 0.0008323000000000 ] - [ 0.0002261300000000, 0.0001305600000000, 0.0013395000000000 ] - [ 0.0000716000000000, 0.0000413400000000, 0.0008323000000000 ] - [ -0.0000716000000000, 0.0000413400000000, 0.0008323000000000 ] - [ 0.0000000000000000, -0.0002611100000000, 0.0013395000000000 ] - [ -0.0000881900000000, 0.0000509100000000, 0.0012277600000000 ] - [ 0.0000000000000000, 0.0001230100000000, 0.0010700600000000 ] - [ 0.0000881900000000, 0.0000509100000000, 0.0012277600000000 ] - [ -0.0001065300000000, -0.0000615000000000, 0.0010700600000000 ] - [ 0.0000000000000000, -0.0001018300000000, 0.0012277600000000 ] - [ 0.0001065300000000, -0.0000615000000000, 0.0010700600000000 ] - [ 0.0000000000000000, -0.0000313100000000, 0.0015197800000000 ] - [ -0.0001348100000000, 0.0000778300000000, 0.0010625200000000 ] - [ 0.0001348100000000, 0.0000778300000000, 0.0010625200000000 ] - [ 0.0000271200000000, 0.0000156600000000, 0.0015197800000000 ] - [ -0.0000271200000000, 0.0000156600000000, 0.0015197800000000 ] - [ 0.0000000000000000, -0.0001556600000000, 0.0010625200000000 ] - [ -0.0000815400000000, 0.0000470800000000, 0.0011709100000000 ] - [ 0.0000000000000000, -0.0001333900000000, 0.0015257300000000 ] - [ 0.0001155200000000, 0.0000667000000000, 0.0015257300000000 ] - [ 0.0000815400000000, 0.0000470800000000, 0.0011709100000000 ] - [ -0.0001155200000000, 0.0000667000000000, 0.0015257300000000 ] - [ 0.0000000000000000, -0.0000941600000000, 0.0011709100000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013547900000000, -0.0000015100000000, 0.0001099300000000 ] - [ 0.0041345600000000, -0.0000291900000000, -0.0000622000000000 ] - [ -0.0009191500000000, 0.0000014200000000, -0.0001403100000000 ] - [ -0.0000002300000000, 0.0000000400000000, 0.0000699300000000 ] - [ -0.0000006800000000, 0.0000000700000000, 0.0001378800000000 ] - [ -0.0000001500000000, 0.0000000300000000, 0.0001212700000000 ] - [ -0.0000008100000000, 0.0000002000000000, -0.0000721400000000 ] - [ -0.0000006200000000, 0.0000001000000000, -0.0001483600000000 ] - [ -0.0000007600000000, 0.0000001100000000, 0.0000683500000000 ] - [ -0.0000051200000000, -0.0000000500000000, 0.0001393100000000 ] - [ 0.0000000500000000, -0.0000001100000000, 0.0001214400000000 ] - [ -0.0000007100000000, 0.0000002600000000, -0.0000710800000000 ] - [ -0.0000003400000000, -0.0000000200000000, -0.0001454100000000 ] - [ -0.0000005200000000, 0.0000000000000000, 0.0000691300000000 ] - [ -0.0000007800000000, 0.0000000300000000, 0.0001406400000000 ] - [ -0.0000004400000000, -0.0000000800000000, 0.0001149700000000 ] - [ 0.0078181400000000, 0.0000542700000000, -0.0000763000000000 ] - [ 0.0001574700000000, -0.0000003800000000, 0.0000117300000000 ] - [ -0.0000116800000000, 0.0000000800000000, 0.0000587700000000 ] - [ -0.0000003500000000, -0.0000001200000000, -0.0002195000000000 ] - [ 0.0001004100000000, 0.0000002600000000, 0.0001161500000000 ] - [ -0.0000001900000000, -0.0000001300000000, -0.0000567400000000 ] - [ -0.0000006200000000, -0.0000000600000000, 0.0000045700000000 ] - [ -0.0000001200000000, -0.0000001700000000, 0.0000561700000000 ] - [ 0.0000006400000000, -0.0000000500000000, -0.0002198000000000 ] - [ -0.0000003900000000, -0.0000001700000000, 0.0001167400000000 ] - [ -0.0000004400000000, 0.0000000000000000, -0.0000507200000000 ] - [ -0.0000008000000000, 0.0000000300000000, 0.0000094000000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0000608200000000 ] - [ -0.0000007500000000, 0.0000001100000000, -0.0002225900000000 ] - [ -0.0324276900000000, -0.0000851600000000, -0.0000421700000000 ] - [ -0.0002141900000000, 0.0000007200000000, -0.0002153000000000 ] - [ 0.0000181800000000, -0.0000014900000000, 0.0000522400000000 ] - [ -0.0000002700000000, 0.0000001200000000, -0.0002124400000000 ] - [ -0.0000009700000000, 0.0000002100000000, -0.0000343500000000 ] - [ -0.0000000200000000, -0.0000002600000000, -0.0000061800000000 ] - [ -0.0000010700000000, 0.0000002600000000, -0.0002162800000000 ] - [ 0.0000023900000000, -0.0000014700000000, 0.0000491400000000 ] - [ -0.0000000200000000, -0.0000000600000000, -0.0002129900000000 ] - [ 0.0000186100000000, 0.0000003000000000, -0.0000322400000000 ] - [ 0.0000002300000000, -0.0000004000000000, -0.0000040100000000 ] - [ -0.0000011300000000, 0.0000003100000000, -0.0002146000000000 ] - [ 0.0000025700000000, -0.0000016300000000, 0.0000506400000000 ] - [ -0.0000001900000000, 0.0000000300000000, -0.0002151600000000 ] - [ -0.0000012100000000, 0.0000003600000000, -0.0000311800000000 ] - [ -0.0003925200000000, -0.0000008100000000, 0.0004624000000000 ] - [ 0.0070725000000000, 0.0000147700000000, -0.0004674400000000 ] - [ -0.0000034900000000, -0.0000002000000000, 0.0003395300000000 ] - [ 0.0065763400000000, -0.0000133000000000, -0.0006525400000000 ] - [ -0.0000003400000000, 0.0000001100000000, 0.0003527900000000 ] - [ -0.0000007400000000, 0.0000002700000000, 0.0004709300000000 ] - [ 0.0000002200000000, -0.0000005700000000, -0.0004551500000000 ] - [ 0.0000001300000000, -0.0000000600000000, 0.0003388900000000 ] - [ -0.0000013500000000, 0.0000003500000000, -0.0006658500000000 ] - [ -0.0000047300000000, 0.0000004600000000, 0.0003488200000000 ] - [ -0.0000014100000000, 0.0000005600000000, 0.0004712400000000 ] - [ -0.0000003000000000, -0.0000003100000000, -0.0004553300000000 ] - [ -0.0000006800000000, 0.0000001800000000, 0.0003455200000000 ] - [ -0.0000017400000000, 0.0000006200000000, -0.0006530600000000 ] - [ -0.0000005700000000, 0.0000000100000000, 0.0003535300000000 ] - [ -0.0001845300000000, 0.0001062300000000, 0.0001481100000000 ] - [ -0.0007532300000000, 0.0000508000000000, -0.0000447200000000 ] - [ 0.0001857800000000, 0.0001064300000000, 0.0001500900000000 ] - [ 0.0002946900000000, 0.0006038900000000, 0.0008981200000000 ] - [ 0.0003811900000000, -0.0006558500000000, -0.0009842500000000 ] - [ 0.0000005100000000, -0.0002142800000000, 0.0001502300000000 ] - [ 0.0012571700000000, 0.0007537800000000, 0.0005694600000000 ] - [ 0.0028581200000000, 0.0001194600000000, -0.0002184700000000 ] - [ 0.0018407900000000, -0.0004238300000000, -0.0002304100000000 ] - [ 0.0005385900000000, -0.0013298700000000, -0.0018514000000000 ] - [ 0.0010127500000000, 0.0010738000000000, 0.0012033400000000 ] - [ 0.0025699400000000, -0.0001380400000000, 0.0000391400000000 ] - [ 0.0000652800000000, -0.0005671800000000, -0.0011576700000000 ] - [ 0.0000427700000000, 0.0000584600000000, -0.0000883500000000 ] - [ 0.0002818900000000, 0.0006970500000000, 0.0008914200000000 ] - [ -0.0000453100000000, -0.0000509900000000, -0.0001482800000000 ] - [ -0.0009213000000000, -0.0001266600000000, -0.0001332800000000 ] - [ 0.0000516200000000, -0.0000051500000000, -0.0000256000000000 ] - [ -0.0000008200000000, -0.0000124700000000, 0.0001906100000000 ] - [ -0.0000397100000000, 0.0000211000000000, -0.0000784300000000 ] - [ 0.0000404900000000, 0.0000255100000000, -0.0000593800000000 ] - [ 0.0000097700000000, 0.0000066400000000, 0.0001899100000000 ] - [ -0.0000129900000000, 0.0000075400000000, 0.0001939600000000 ] - [ -0.0000034300000000, -0.0000483100000000, -0.0000684400000000 ] - [ 0.0001015600000000, -0.0000590700000000, 0.0001107800000000 ] - [ -0.0000009400000000, -0.0001433800000000, 0.0001755800000000 ] - [ 0.0001232000000000, 0.0000720900000000, 0.0001759700000000 ] - [ -0.0000998700000000, -0.0000580300000000, 0.0001128600000000 ] - [ -0.0001259600000000, 0.0000726000000000, 0.0001773000000000 ] - [ -0.0000000600000000, 0.0001153700000000, 0.0001133700000000 ] - [ -0.0002021500000000, 0.0001482600000000, 0.0002320700000000 ] - [ -0.0000013500000000, 0.0000544200000000, -0.0000481800000000 ] - [ 0.0001709700000000, 0.0000662600000000, 0.0000697400000000 ] - [ -0.0000479500000000, -0.0000266000000000, -0.0000490000000000 ] - [ 0.0000477400000000, -0.0000278000000000, -0.0000478600000000 ] - [ 0.0000554700000000, -0.0002158100000000, 0.0001520700000000 ] - [ -0.0001323900000000, 0.0000763100000000, 0.0000486500000000 ] - [ -0.0000000800000000, 0.0001255300000000, -0.0002230000000000 ] - [ 0.0001284900000000, 0.0000746200000000, 0.0000462100000000 ] - [ -0.0001087900000000, -0.0000630200000000, -0.0002234900000000 ] - [ 0.0001100400000000, -0.0000638500000000, -0.0002252300000000 ] - [ -0.0000004900000000, -0.0001491300000000, 0.0000470900000000 ] - [ -0.0001141900000000, 0.0000656600000000, -0.0001273900000000 ] - [ -0.0000004700000000, 0.0000584800000000, -0.0000856600000000 ] - [ 0.0001119200000000, 0.0000656700000000, -0.0001287300000000 ] - [ -0.0000510400000000, -0.0000292300000000, -0.0000853500000000 ] - [ -0.0000011700000000, -0.0001301400000000, -0.0001290500000000 ] - [ 0.0000459000000000, -0.0000267200000000, -0.0000835100000000 ] - [ -0.0000013300000000, -0.0000114100000000, 0.0001911000000000 ] - [ -0.0000398900000000, 0.0000227700000000, -0.0000677200000000 ] - [ 0.0000422700000000, 0.0000249200000000, -0.0000656100000000 ] - [ 0.0000086800000000, 0.0000063500000000, 0.0001913500000000 ] - [ -0.0000122300000000, 0.0000068500000000, 0.0001935100000000 ] - [ -0.0000006500000000, -0.0000494900000000, -0.0000661900000000 ] - [ 0.0000984600000000, -0.0000569400000000, 0.0001149200000000 ] - [ -0.0000042400000000, -0.0001417000000000, 0.0001714700000000 ] - [ 0.0001211800000000, 0.0000727900000000, 0.0001803200000000 ] - [ -0.0000969100000000, -0.0000565600000000, 0.0001157700000000 ] - [ -0.0001248000000000, 0.0000698800000000, 0.0001645000000000 ] - [ 0.0000004500000000, 0.0001117700000000, 0.0001169500000000 ] - [ -0.0001845700000000, 0.0001062100000000, 0.0001473600000000 ] - [ -0.0000012900000000, 0.0000544700000000, -0.0000483100000000 ] - [ 0.0001853400000000, 0.0001062700000000, 0.0001488800000000 ] - [ -0.0000480900000000, -0.0000266000000000, -0.0000490400000000 ] - [ 0.0000477700000000, -0.0000278600000000, -0.0000477800000000 ] - [ 0.0000003900000000, -0.0002138600000000, 0.0001490600000000 ] - [ -0.0001322800000000, 0.0000762100000000, 0.0000487700000000 ] - [ -0.0000001100000000, 0.0001313500000000, -0.0002304900000000 ] - [ 0.0001287100000000, 0.0000746800000000, 0.0000465600000000 ] - [ -0.0001138400000000, -0.0000659400000000, -0.0002309200000000 ] - [ 0.0001152400000000, -0.0000668800000000, -0.0002327500000000 ] - [ -0.0000004800000000, -0.0001494200000000, 0.0000474200000000 ] - [ -0.0001159200000000, 0.0000666900000000, -0.0001299100000000 ] - [ -0.0000005300000000, 0.0000577200000000, -0.0000854400000000 ] - [ 0.0001139200000000, 0.0000666800000000, -0.0001311900000000 ] - [ -0.0000504200000000, -0.0000288000000000, -0.0000850800000000 ] - [ -0.0000010400000000, -0.0001324300000000, -0.0001314200000000 ] - [ 0.0000451700000000, -0.0000263100000000, -0.0000832300000000 ] - [ -0.0000012200000000, -0.0000132100000000, 0.0001932500000000 ] - [ -0.0000367300000000, 0.0000209400000000, -0.0000736900000000 ] - [ 0.0000391800000000, 0.0000231900000000, -0.0000714800000000 ] - [ 0.0000103200000000, 0.0000071900000000, 0.0001935100000000 ] - [ -0.0000134900000000, 0.0000076100000000, 0.0001955500000000 ] - [ -0.0000007300000000, -0.0000459400000000, -0.0000720900000000 ] - [ 0.0001016400000000, -0.0000590800000000, 0.0001103600000000 ] - [ -0.0000008800000000, -0.0001430900000000, 0.0001739400000000 ] - [ 0.0001230400000000, 0.0000719100000000, 0.0001743700000000 ] - [ -0.0000999300000000, -0.0000580700000000, 0.0001123600000000 ] - [ -0.0001257500000000, 0.0000724600000000, 0.0001756900000000 ] - [ -0.0000000100000000, 0.0001154000000000, 0.0001129500000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0040191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025707400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005842700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006282800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003602700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006543500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006280900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004511700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005847900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012717400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0152383300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011738400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009267800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011995400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010845500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011594600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010919000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011639600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0363565100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004952900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002755700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004539200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004552100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002714200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004562200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002724300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004836200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012517700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012569400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012283000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005826900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012649100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002286700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012358400000000 ] - [ -0.0001116800000000, 0.0000644800000000, -0.0002820400000000 ] - [ 0.0000000000000000, 0.0002985600000000, -0.0002554700000000 ] - [ 0.0001116800000000, 0.0000644800000000, -0.0002820400000000 ] - [ -0.0002585600000000, -0.0001492800000000, -0.0002554700000000 ] - [ 0.0002585600000000, -0.0001492800000000, -0.0002554700000000 ] - [ 0.0000000000000000, -0.0001289600000000, -0.0002820400000000 ] - [ -0.0012523500000000, 0.0007230500000000, 0.0099310900000000 ] - [ 0.0000000000000000, -0.0005070500000000, 0.0069945400000000 ] - [ 0.0012523500000000, 0.0007230500000000, 0.0099310900000000 ] - [ 0.0004391100000000, 0.0002535200000000, 0.0069945400000000 ] - [ -0.0004391100000000, 0.0002535200000000, 0.0069945400000000 ] - [ 0.0000000000000000, -0.0014460900000000, 0.0099310900000000 ] - [ 0.0005761400000000, -0.0003326400000000, -0.0002841700000000 ] - [ 0.0000000000000000, -0.0000344400000000, -0.0005979300000000 ] - [ -0.0005761400000000, -0.0003326400000000, -0.0002841700000000 ] - [ 0.0000298300000000, 0.0000172200000000, -0.0005979300000000 ] - [ 0.0000000000000000, 0.0006652700000000, -0.0002841700000000 ] - [ -0.0000298300000000, 0.0000172200000000, -0.0005979300000000 ] - [ 0.0000000000000000, 0.0000089900000000, -0.0003883000000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0005326900000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0005326900000000 ] - [ -0.0000077900000000, -0.0000045000000000, -0.0003883000000000 ] - [ 0.0000077900000000, -0.0000045000000000, -0.0003883000000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0005326900000000 ] - [ 0.0001646300000000, -0.0000950500000000, -0.0003301100000000 ] - [ 0.0000000000000000, -0.0001361500000000, -0.0003979600000000 ] - [ 0.0001179100000000, 0.0000680700000000, -0.0003979600000000 ] - [ -0.0001646300000000, -0.0000950500000000, -0.0003301100000000 ] - [ -0.0001179100000000, 0.0000680700000000, -0.0003979600000000 ] - [ 0.0000000000000000, 0.0001900900000000, -0.0003301100000000 ] - [ -0.0001864300000000, 0.0001076400000000, -0.0002899700000000 ] - [ 0.0000000000000000, 0.0001629800000000, -0.0005699300000000 ] - [ 0.0001864300000000, 0.0001076400000000, -0.0002899700000000 ] - [ -0.0001411500000000, -0.0000814900000000, -0.0005699300000000 ] - [ 0.0001411500000000, -0.0000814900000000, -0.0005699300000000 ] - [ 0.0000000000000000, -0.0002152700000000, -0.0002899700000000 ] - [ -0.0000735200000000, 0.0000424500000000, -0.0005132700000000 ] - [ 0.0000000000000000, 0.0001991200000000, -0.0006680000000000 ] - [ 0.0000735200000000, 0.0000424500000000, -0.0005132700000000 ] - [ -0.0001724400000000, -0.0000995600000000, -0.0006680000000000 ] - [ 0.0001724400000000, -0.0000995600000000, -0.0006680000000000 ] - [ 0.0000000000000000, -0.0000849000000000, -0.0005132700000000 ] - [ -0.0001101400000000, 0.0000635900000000, -0.0006998800000000 ] - [ 0.0000000000000000, 0.0000272400000000, -0.0005575100000000 ] - [ 0.0001101400000000, 0.0000635900000000, -0.0006998800000000 ] - [ -0.0000235900000000, -0.0000136200000000, -0.0005575100000000 ] - [ 0.0000000000000000, -0.0001271800000000, -0.0006998800000000 ] - [ 0.0000235900000000, -0.0000136200000000, -0.0005575100000000 ] - [ 0.0000000000000000, 0.0000125100000000, -0.0003915000000000 ] - [ -0.0000086400000000, 0.0000049900000000, -0.0005380300000000 ] - [ 0.0000086400000000, 0.0000049900000000, -0.0005380300000000 ] - [ -0.0000108400000000, -0.0000062600000000, -0.0003915000000000 ] - [ 0.0000108400000000, -0.0000062600000000, -0.0003915000000000 ] - [ 0.0000000000000000, -0.0000099700000000, -0.0005380300000000 ] - [ 0.0001601500000000, -0.0000924600000000, -0.0003276000000000 ] - [ 0.0000000000000000, -0.0001270600000000, -0.0003987700000000 ] - [ 0.0001100400000000, 0.0000635300000000, -0.0003987700000000 ] - [ -0.0001601500000000, -0.0000924600000000, -0.0003276000000000 ] - [ -0.0001100400000000, 0.0000635300000000, -0.0003987700000000 ] - [ 0.0000000000000000, 0.0001849200000000, -0.0003276000000000 ] - [ -0.0001119400000000, 0.0000646300000000, -0.0002825600000000 ] - [ 0.0000000000000000, 0.0001629300000000, -0.0005697000000000 ] - [ 0.0001119400000000, 0.0000646300000000, -0.0002825600000000 ] - [ -0.0001411000000000, -0.0000814700000000, -0.0005697000000000 ] - [ 0.0001411000000000, -0.0000814700000000, -0.0005697000000000 ] - [ 0.0000000000000000, -0.0001292600000000, -0.0002825600000000 ] - [ -0.0000736500000000, 0.0000425200000000, -0.0005129300000000 ] - [ 0.0000000000000000, 0.0002018600000000, -0.0006725800000000 ] - [ 0.0000736500000000, 0.0000425200000000, -0.0005129300000000 ] - [ -0.0001748100000000, -0.0001009300000000, -0.0006725800000000 ] - [ 0.0001748100000000, -0.0001009300000000, -0.0006725800000000 ] - [ 0.0000000000000000, -0.0000850500000000, -0.0005129300000000 ] - [ -0.0001096400000000, 0.0000633000000000, -0.0007050200000000 ] - [ 0.0000000000000000, 0.0000266800000000, -0.0005598000000000 ] - [ 0.0001096400000000, 0.0000633000000000, -0.0007050200000000 ] - [ -0.0000231000000000, -0.0000133400000000, -0.0005598000000000 ] - [ 0.0000000000000000, -0.0001266000000000, -0.0007050200000000 ] - [ 0.0000231000000000, -0.0000133400000000, -0.0005598000000000 ] - [ 0.0000000000000000, 0.0000092200000000, -0.0003835000000000 ] - [ -0.0000059500000000, 0.0000034300000000, -0.0005432100000000 ] - [ 0.0000059500000000, 0.0000034300000000, -0.0005432100000000 ] - [ -0.0000079800000000, -0.0000046100000000, -0.0003835000000000 ] - [ 0.0000079800000000, -0.0000046100000000, -0.0003835000000000 ] - [ 0.0000000000000000, -0.0000068600000000, -0.0005432100000000 ] - [ 0.0001654500000000, -0.0000955200000000, -0.0003303200000000 ] - [ 0.0000000000000000, -0.0001364700000000, -0.0003992500000000 ] - [ 0.0001181900000000, 0.0000682400000000, -0.0003992500000000 ] - [ -0.0001654500000000, -0.0000955200000000, -0.0003303200000000 ] - [ -0.0001181900000000, 0.0000682400000000, -0.0003992500000000 ] - [ 0.0000000000000000, 0.0001910400000000, -0.0003303200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0037205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070391200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004432500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003733700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006570100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003751400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003874300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004439400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0152051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010560900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012026700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011434700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010399100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011960500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010416100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013662800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004931500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003907000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005214900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005477500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007028500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000600900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004855500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005681800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014954400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015413700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005293300000000 ] - [ -0.0002708700000000, 0.0001563900000000, 0.0005947900000000 ] - [ 0.0000000000000000, -0.0002025000000000, 0.0001930700000000 ] - [ 0.0002708700000000, 0.0001563900000000, 0.0005947900000000 ] - [ 0.0001753700000000, 0.0001012500000000, 0.0001930700000000 ] - [ -0.0001753700000000, 0.0001012500000000, 0.0001930700000000 ] - [ 0.0000000000000000, -0.0003127700000000, 0.0005947900000000 ] - [ 0.0008330800000000, -0.0004809800000000, -0.0097151500000000 ] - [ 0.0000000000000000, 0.0009390700000000, -0.0075934800000000 ] - [ -0.0008330800000000, -0.0004809800000000, -0.0097151500000000 ] - [ -0.0008132600000000, -0.0004695400000000, -0.0075934800000000 ] - [ 0.0008132600000000, -0.0004695400000000, -0.0075934800000000 ] - [ 0.0000000000000000, 0.0009619600000000, -0.0097151500000000 ] - [ -0.0007825100000000, 0.0004517800000000, 0.0000036900000000 ] - [ 0.0000000000000000, 0.0001503600000000, 0.0004277300000000 ] - [ 0.0007825100000000, 0.0004517800000000, 0.0000036900000000 ] - [ -0.0001302200000000, -0.0000751800000000, 0.0004277300000000 ] - [ 0.0000000000000000, -0.0009035700000000, 0.0000036900000000 ] - [ 0.0001302200000000, -0.0000751800000000, 0.0004277300000000 ] - [ 0.0000000000000000, -0.0000179500000000, 0.0007509100000000 ] - [ -0.0000925700000000, 0.0000534400000000, 0.0004019000000000 ] - [ 0.0000925700000000, 0.0000534400000000, 0.0004019000000000 ] - [ 0.0000155500000000, 0.0000089800000000, 0.0007509100000000 ] - [ -0.0000155500000000, 0.0000089800000000, 0.0007509100000000 ] - [ 0.0000000000000000, -0.0001068900000000, 0.0004019000000000 ] - [ 0.0000221000000000, -0.0000127600000000, 0.0005621000000000 ] - [ 0.0000000000000000, -0.0001364800000000, 0.0007402700000000 ] - [ 0.0001182000000000, 0.0000682400000000, 0.0007402700000000 ] - [ -0.0000221000000000, -0.0000127600000000, 0.0005621000000000 ] - [ -0.0001182000000000, 0.0000682400000000, 0.0007402700000000 ] - [ 0.0000000000000000, 0.0000255200000000, 0.0005621000000000 ] - [ -0.0002012900000000, 0.0001162100000000, 0.0006090500000000 ] - [ 0.0000000000000000, -0.0000577500000000, 0.0004895800000000 ] - [ 0.0002012900000000, 0.0001162100000000, 0.0006090500000000 ] - [ 0.0000500100000000, 0.0000288700000000, 0.0004895800000000 ] - [ -0.0000500100000000, 0.0000288700000000, 0.0004895800000000 ] - [ 0.0000000000000000, -0.0002324300000000, 0.0006090500000000 ] - [ -0.0001643500000000, 0.0000948900000000, 0.0005861600000000 ] - [ 0.0000000000000000, 0.0000343600000000, 0.0002267000000000 ] - [ 0.0001643500000000, 0.0000948900000000, 0.0005861600000000 ] - [ -0.0000297500000000, -0.0000171800000000, 0.0002267000000000 ] - [ 0.0000297500000000, -0.0000171800000000, 0.0002267000000000 ] - [ 0.0000000000000000, -0.0001897800000000, 0.0005861600000000 ] - [ -0.0001012300000000, 0.0000584400000000, 0.0004374000000000 ] - [ 0.0000000000000000, 0.0000869700000000, 0.0003941000000000 ] - [ 0.0001012300000000, 0.0000584400000000, 0.0004374000000000 ] - [ -0.0000753200000000, -0.0000434800000000, 0.0003941000000000 ] - [ 0.0000000000000000, -0.0001168900000000, 0.0004374000000000 ] - [ 0.0000753200000000, -0.0000434800000000, 0.0003941000000000 ] - [ 0.0000000000000000, -0.0000195600000000, 0.0007516000000000 ] - [ -0.0000842900000000, 0.0000486700000000, 0.0004100500000000 ] - [ 0.0000842900000000, 0.0000486700000000, 0.0004100500000000 ] - [ 0.0000169400000000, 0.0000097800000000, 0.0007516000000000 ] - [ -0.0000169400000000, 0.0000097800000000, 0.0007516000000000 ] - [ 0.0000000000000000, -0.0000973300000000, 0.0004100500000000 ] - [ 0.0000197400000000, -0.0000114000000000, 0.0005652500000000 ] - [ 0.0000000000000000, -0.0001407600000000, 0.0007326800000000 ] - [ 0.0001219000000000, 0.0000703800000000, 0.0007326800000000 ] - [ -0.0000197400000000, -0.0000114000000000, 0.0005652500000000 ] - [ -0.0001219000000000, 0.0000703800000000, 0.0007326800000000 ] - [ 0.0000000000000000, 0.0000227900000000, 0.0005652500000000 ] - [ -0.0002690100000000, 0.0001553100000000, 0.0005924500000000 ] - [ 0.0000000000000000, -0.0000535100000000, 0.0004861700000000 ] - [ 0.0002690100000000, 0.0001553100000000, 0.0005924500000000 ] - [ 0.0000463400000000, 0.0000267600000000, 0.0004861700000000 ] - [ -0.0000463400000000, 0.0000267600000000, 0.0004861700000000 ] - [ 0.0000000000000000, -0.0003106200000000, 0.0005924500000000 ] - [ -0.0001659600000000, 0.0000958200000000, 0.0005883200000000 ] - [ 0.0000000000000000, 0.0000395100000000, 0.0002214400000000 ] - [ 0.0001659600000000, 0.0000958200000000, 0.0005883200000000 ] - [ -0.0000342200000000, -0.0000197500000000, 0.0002214400000000 ] - [ 0.0000342200000000, -0.0000197500000000, 0.0002214400000000 ] - [ 0.0000000000000000, -0.0001916400000000, 0.0005883200000000 ] - [ -0.0001026500000000, 0.0000592700000000, 0.0004340100000000 ] - [ 0.0000000000000000, 0.0000859500000000, 0.0003936300000000 ] - [ 0.0001026500000000, 0.0000592700000000, 0.0004340100000000 ] - [ -0.0000744400000000, -0.0000429800000000, 0.0003936300000000 ] - [ 0.0000000000000000, -0.0001185300000000, 0.0004340100000000 ] - [ 0.0000744400000000, -0.0000429800000000, 0.0003936300000000 ] - [ 0.0000000000000000, -0.0000206700000000, 0.0007537500000000 ] - [ -0.0000821700000000, 0.0000474400000000, 0.0004044800000000 ] - [ 0.0000821700000000, 0.0000474400000000, 0.0004044800000000 ] - [ 0.0000179000000000, 0.0000103300000000, 0.0007537500000000 ] - [ -0.0000179000000000, 0.0000103300000000, 0.0007537500000000 ] - [ 0.0000000000000000, -0.0000948800000000, 0.0004044800000000 ] - [ 0.0000224200000000, -0.0000129500000000, 0.0005618300000000 ] - [ 0.0000000000000000, -0.0001362000000000, 0.0007386900000000 ] - [ 0.0001179500000000, 0.0000681000000000, 0.0007386900000000 ] - [ -0.0000224200000000, -0.0000129500000000, 0.0005618300000000 ] - [ -0.0001179500000000, 0.0000681000000000, 0.0007386900000000 ] - [ 0.0000000000000000, 0.0000258900000000, 0.0005618300000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000077300000000, -0.0000001400000000, 0.0001167400000000 ] - [ 0.0000551300000000, 0.0000001300000000, -0.0000742900000000 ] - [ 0.0039853600000000, -0.0000278700000000, -0.0001334600000000 ] - [ 0.0000453700000000, -0.0000000700000000, 0.0000705500000000 ] - [ -0.0000003500000000, 0.0000000000000000, 0.0001375600000000 ] - [ -0.0000006200000000, -0.0000000700000000, 0.0001203700000000 ] - [ -0.0000009700000000, 0.0000001200000000, -0.0000717400000000 ] - [ -0.0000007000000000, 0.0000000400000000, -0.0001491000000000 ] - [ -0.0000008700000000, 0.0000000600000000, 0.0000690200000000 ] - [ -0.0000006000000000, -0.0000001300000000, 0.0001390300000000 ] - [ -0.0000001000000000, -0.0000001900000000, 0.0001206500000000 ] - [ -0.0000010700000000, 0.0000001800000000, -0.0000707000000000 ] - [ -0.0000002600000000, -0.0000001000000000, -0.0001461300000000 ] - [ -0.0000006400000000, -0.0000000800000000, 0.0000697700000000 ] - [ -0.0000006200000000, -0.0000000600000000, 0.0001402900000000 ] - [ -0.0000007100000000, -0.0000001500000000, 0.0001162400000000 ] - [ -0.0022690700000000, -0.0000029900000000, -0.0000631200000000 ] - [ 0.0089518800000000, 0.0000634100000000, -0.0000135400000000 ] - [ -0.0030304500000000, 0.0000039900000000, 0.0000754000000000 ] - [ -0.0000182400000000, -0.0000001700000000, -0.0002205400000000 ] - [ 0.0000000700000000, -0.0000000200000000, 0.0001174200000000 ] - [ -0.0000002200000000, -0.0000002000000000, -0.0000588800000000 ] - [ -0.0000006200000000, -0.0000001500000000, 0.0000055000000000 ] - [ -0.0000002800000000, -0.0000002500000000, 0.0000570000000000 ] - [ -0.0000003600000000, -0.0000001200000000, -0.0002207900000000 ] - [ -0.0000005600000000, -0.0000002300000000, 0.0001180900000000 ] - [ -0.0000005300000000, -0.0000000700000000, -0.0000526100000000 ] - [ -0.0000007800000000, -0.0000000700000000, 0.0000104400000000 ] - [ -0.0000003000000000, -0.0000002000000000, 0.0000618600000000 ] - [ -0.0000005800000000, 0.0000000100000000, -0.0002236200000000 ] - [ -0.0002127100000000, -0.0000007800000000, -0.0000088100000000 ] - [ -0.0328606100000000, -0.0000025300000000, -0.0001595600000000 ] - [ 0.0031299300000000, -0.0000077500000000, 0.0000512600000000 ] - [ 0.0000278200000000, 0.0000000300000000, -0.0002131000000000 ] - [ -0.0000007800000000, 0.0000001100000000, -0.0000337500000000 ] - [ -0.0000001000000000, -0.0000003100000000, -0.0000077600000000 ] - [ -0.0000011100000000, 0.0000001700000000, -0.0002164400000000 ] - [ 0.0000020900000000, -0.0000015200000000, 0.0000494700000000 ] - [ -0.0000001200000000, -0.0000001700000000, -0.0002138400000000 ] - [ -0.0000010200000000, 0.0000001900000000, -0.0000316500000000 ] - [ 0.0000001400000000, -0.0000004600000000, -0.0000059800000000 ] - [ -0.0000011800000000, 0.0000002300000000, -0.0002142500000000 ] - [ 0.0000025000000000, -0.0000017200000000, 0.0000510900000000 ] - [ -0.0000004000000000, -0.0000000300000000, -0.0002158800000000 ] - [ -0.0000013800000000, 0.0000002600000000, -0.0000306400000000 ] - [ -0.0000035000000000, -0.0000001300000000, 0.0004639100000000 ] - [ 0.0000543900000000, -0.0000001800000000, -0.0004689300000000 ] - [ -0.0004210600000000, 0.0000004000000000, 0.0003397700000000 ] - [ 0.0063905800000000, 0.0000124800000000, -0.0006561200000000 ] - [ -0.0000041700000000, 0.0000000100000000, 0.0003522800000000 ] - [ -0.0000009100000000, 0.0000002100000000, 0.0004731600000000 ] - [ 0.0000002500000000, -0.0000006300000000, -0.0004557800000000 ] - [ -0.0000003600000000, -0.0000001500000000, 0.0003401500000000 ] - [ -0.0000012800000000, 0.0000002700000000, -0.0006673100000000 ] - [ -0.0000010500000000, 0.0000004000000000, 0.0003483600000000 ] - [ -0.0000009900000000, 0.0000004800000000, 0.0004732700000000 ] - [ -0.0000001200000000, -0.0000003600000000, -0.0004553500000000 ] - [ -0.0000005000000000, 0.0000001000000000, 0.0003466200000000 ] - [ -0.0000018600000000, 0.0000005600000000, -0.0006552000000000 ] - [ -0.0000006700000000, -0.0000000700000000, 0.0003530700000000 ] - [ -0.0001845800000000, 0.0001060900000000, 0.0001478800000000 ] - [ -0.0000069400000000, 0.0000520000000000, -0.0000427600000000 ] - [ 0.0001855800000000, 0.0001063400000000, 0.0001499800000000 ] - [ -0.0000441300000000, -0.0000212100000000, -0.0000361600000000 ] - [ 0.0000474100000000, -0.0000308900000000, -0.0000494800000000 ] - [ 0.0000003500000000, -0.0002143100000000, 0.0001500700000000 ] - [ -0.0001227200000000, 0.0000882100000000, 0.0001731300000000 ] - [ -0.0009160600000000, 0.0001241800000000, -0.0002264100000000 ] - [ 0.0001396800000000, 0.0000633300000000, -0.0000711800000000 ] - [ 0.0001348600000000, 0.0006046900000000, 0.0006913400000000 ] - [ 0.0003489200000000, -0.0007324100000000, -0.0011443300000000 ] - [ 0.0000300200000000, -0.0001501700000000, 0.0000512200000000 ] - [ 0.0005782000000000, 0.0013128300000000, 0.0016085700000000 ] - [ 0.0041391500000000, 0.0000439200000000, -0.0000773800000000 ] - [ 0.0010594700000000, -0.0010505200000000, -0.0016858400000000 ] - [ 0.0040370100000000, -0.0000506100000000, -0.0011129500000000 ] - [ 0.0028663400000000, -0.0001185600000000, -0.0001453300000000 ] - [ 0.0044381600000000, -0.0001653700000000, 0.0007047900000000 ] - [ 0.0000395800000000, -0.0000110700000000, 0.0001882300000000 ] - [ 0.0000662200000000, -0.0004894200000000, -0.0008321800000000 ] - [ 0.0001448500000000, 0.0005380100000000, 0.0006990500000000 ] - [ 0.0000372300000000, -0.0000009300000000, 0.0000464300000000 ] - [ 0.0000171300000000, 0.0000133600000000, 0.0003338000000000 ] - [ -0.0007843700000000, -0.0000491800000000, -0.0000653200000000 ] - [ 0.0001008100000000, -0.0000621500000000, 0.0001048800000000 ] - [ -0.0000006800000000, -0.0001421100000000, 0.0001745800000000 ] - [ 0.0001223700000000, 0.0000713700000000, 0.0001736800000000 ] - [ -0.0000977400000000, -0.0000533700000000, 0.0001190600000000 ] - [ -0.0001246100000000, 0.0000718800000000, 0.0001776600000000 ] - [ -0.0000060800000000, 0.0001135500000000, 0.0001135100000000 ] - [ -0.0001868100000000, 0.0001076700000000, 0.0001511000000000 ] - [ -0.0000014200000000, 0.0000550200000000, -0.0000475100000000 ] - [ 0.0001871900000000, 0.0001070400000000, 0.0001514200000000 ] - [ -0.0000486700000000, -0.0000270600000000, -0.0000483900000000 ] - [ 0.0000483200000000, -0.0000282600000000, -0.0000472000000000 ] - [ 0.0000008000000000, -0.0002163500000000, 0.0001522400000000 ] - [ -0.0001318300000000, 0.0000757500000000, 0.0000481100000000 ] - [ -0.0000001200000000, 0.0001262700000000, -0.0002244300000000 ] - [ 0.0001278400000000, 0.0000741800000000, 0.0000458300000000 ] - [ -0.0001095600000000, -0.0000635100000000, -0.0002250300000000 ] - [ 0.0001107300000000, -0.0000643400000000, -0.0002266900000000 ] - [ -0.0000006500000000, -0.0001484600000000, 0.0000467000000000 ] - [ -0.0001148600000000, 0.0000659300000000, -0.0001269500000000 ] - [ -0.0000005500000000, 0.0000581500000000, -0.0000843200000000 ] - [ 0.0001124200000000, 0.0000659200000000, -0.0001283100000000 ] - [ -0.0000509400000000, -0.0000292100000000, -0.0000841400000000 ] - [ -0.0000012500000000, -0.0001309000000000, -0.0001285300000000 ] - [ 0.0000456000000000, -0.0000266600000000, -0.0000820900000000 ] - [ -0.0000013800000000, -0.0000103200000000, 0.0001895000000000 ] - [ -0.0000408300000000, 0.0000232100000000, -0.0000667400000000 ] - [ 0.0000430300000000, 0.0000253300000000, -0.0000646900000000 ] - [ 0.0000077100000000, 0.0000057400000000, 0.0001897700000000 ] - [ -0.0000112600000000, 0.0000062000000000, 0.0001920400000000 ] - [ -0.0000007000000000, -0.0000505400000000, -0.0000652500000000 ] - [ 0.0000974300000000, -0.0000567200000000, 0.0001142200000000 ] - [ -0.0000009600000000, -0.0001406000000000, 0.0001707900000000 ] - [ 0.0001207900000000, 0.0000705300000000, 0.0001712900000000 ] - [ -0.0000958000000000, -0.0000556800000000, 0.0001162200000000 ] - [ -0.0001232500000000, 0.0000708400000000, 0.0001721600000000 ] - [ -0.0000000700000000, 0.0001103800000000, 0.0001168100000000 ] - [ -0.0001846100000000, 0.0001061300000000, 0.0001475900000000 ] - [ -0.0000015000000000, 0.0000547300000000, -0.0000472700000000 ] - [ 0.0001851800000000, 0.0001061800000000, 0.0001491000000000 ] - [ -0.0000485000000000, -0.0000268700000000, -0.0000481300000000 ] - [ 0.0000481000000000, -0.0000281500000000, -0.0000468700000000 ] - [ 0.0000003100000000, -0.0002138900000000, 0.0001492600000000 ] - [ -0.0001312900000000, 0.0000754200000000, 0.0000479600000000 ] - [ -0.0000001200000000, 0.0001279900000000, -0.0002280600000000 ] - [ 0.0001276900000000, 0.0000740200000000, 0.0000459500000000 ] - [ -0.0001110900000000, -0.0000644000000000, -0.0002286400000000 ] - [ 0.0001123700000000, -0.0000652800000000, -0.0002303400000000 ] - [ -0.0000006100000000, -0.0001482100000000, 0.0000468000000000 ] - [ -0.0001130300000000, 0.0000648700000000, -0.0001330400000000 ] - [ -0.0000006200000000, 0.0000573900000000, -0.0000849300000000 ] - [ 0.0001109200000000, 0.0000649500000000, -0.0001342900000000 ] - [ -0.0000503300000000, -0.0000287700000000, -0.0000847400000000 ] - [ -0.0000011600000000, -0.0001290300000000, -0.0001344700000000 ] - [ 0.0000448500000000, -0.0000262400000000, -0.0000826000000000 ] - [ -0.0000013000000000, -0.0000117200000000, 0.0001914200000000 ] - [ -0.0000381200000000, 0.0000216200000000, -0.0000723900000000 ] - [ 0.0000403900000000, 0.0000238300000000, -0.0000702500000000 ] - [ 0.0000089900000000, 0.0000063900000000, 0.0001917400000000 ] - [ -0.0000122400000000, 0.0000067500000000, 0.0001938000000000 ] - [ -0.0000007800000000, -0.0000475100000000, -0.0000707900000000 ] - [ 0.0001004000000000, -0.0000584400000000, 0.0001103000000000 ] - [ -0.0000009800000000, -0.0001421300000000, 0.0001731900000000 ] - [ 0.0001221000000000, 0.0000713400000000, 0.0001736300000000 ] - [ -0.0000987800000000, -0.0000574400000000, 0.0001123200000000 ] - [ -0.0001250000000000, 0.0000718700000000, 0.0001749500000000 ] - [ -0.0000000500000000, 0.0001138800000000, 0.0001128600000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005218300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004562100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003667000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004570600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005856300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006556600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057801300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0167497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0077693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012798900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011671400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011698100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002693600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424571200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002435800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003053600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004793200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004548200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002783800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004581800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013476000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013585400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005923500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012617500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012396300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013600000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005926200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012674700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002395100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012435700000000 ] - [ -0.0001000300000000, 0.0000577500000000, -0.0003039800000000 ] - [ 0.0000000000000000, 0.0001660800000000, -0.0005834800000000 ] - [ 0.0001000300000000, 0.0000577500000000, -0.0003039800000000 ] - [ -0.0001438300000000, -0.0000830400000000, -0.0005834800000000 ] - [ 0.0001438300000000, -0.0000830400000000, -0.0005834800000000 ] - [ 0.0000000000000000, -0.0001155100000000, -0.0003039800000000 ] - [ -0.0001664700000000, 0.0000961100000000, -0.0005453600000000 ] - [ 0.0000000000000000, 0.0004781600000000, -0.0003726300000000 ] - [ 0.0001664700000000, 0.0000961100000000, -0.0005453600000000 ] - [ -0.0004141000000000, -0.0002390800000000, -0.0003726300000000 ] - [ 0.0004141000000000, -0.0002390800000000, -0.0003726300000000 ] - [ 0.0000000000000000, -0.0001922200000000, -0.0005453600000000 ] - [ -0.0000145900000000, 0.0000084200000000, 0.0091669900000000 ] - [ 0.0000000000000000, -0.0003038700000000, 0.0082251300000000 ] - [ 0.0000145900000000, 0.0000084200000000, 0.0091669900000000 ] - [ 0.0002631600000000, 0.0001519400000000, 0.0082251300000000 ] - [ 0.0000000000000000, -0.0000168500000000, 0.0091669900000000 ] - [ -0.0002631600000000, 0.0001519400000000, 0.0082251300000000 ] - [ 0.0000000000000000, -0.0001386200000000, -0.0004116200000000 ] - [ 0.0005265700000000, -0.0003040100000000, 0.0001313900000000 ] - [ -0.0005265700000000, -0.0003040100000000, 0.0001313900000000 ] - [ 0.0001200500000000, 0.0000693100000000, -0.0004116200000000 ] - [ -0.0001200500000000, 0.0000693100000000, -0.0004116200000000 ] - [ 0.0000000000000000, 0.0006080300000000, 0.0001313900000000 ] - [ 0.0001762200000000, -0.0001017400000000, -0.0003277200000000 ] - [ 0.0000000000000000, -0.0001448200000000, -0.0003997800000000 ] - [ 0.0001254200000000, 0.0000724100000000, -0.0003997800000000 ] - [ -0.0001762200000000, -0.0001017400000000, -0.0003277200000000 ] - [ -0.0001254200000000, 0.0000724100000000, -0.0003997800000000 ] - [ 0.0000000000000000, 0.0002034800000000, -0.0003277200000000 ] - [ -0.0001025300000000, 0.0000592000000000, -0.0003014800000000 ] - [ 0.0000000000000000, 0.0001636300000000, -0.0005892800000000 ] - [ 0.0001025300000000, 0.0000592000000000, -0.0003014800000000 ] - [ -0.0001417100000000, -0.0000818100000000, -0.0005892800000000 ] - [ 0.0001417100000000, -0.0000818100000000, -0.0005892800000000 ] - [ 0.0000000000000000, -0.0001183900000000, -0.0003014800000000 ] - [ -0.0000863700000000, 0.0000498700000000, -0.0005022500000000 ] - [ 0.0000000000000000, 0.0002077600000000, -0.0006676100000000 ] - [ 0.0000863700000000, 0.0000498700000000, -0.0005022500000000 ] - [ -0.0001799300000000, -0.0001038800000000, -0.0006676100000000 ] - [ 0.0001799300000000, -0.0001038800000000, -0.0006676100000000 ] - [ 0.0000000000000000, -0.0000997400000000, -0.0005022500000000 ] - [ -0.0001159200000000, 0.0000669200000000, -0.0007137000000000 ] - [ 0.0000000000000000, 0.0000285300000000, -0.0005751800000000 ] - [ 0.0001159200000000, 0.0000669200000000, -0.0007137000000000 ] - [ -0.0000247000000000, -0.0000142600000000, -0.0005751800000000 ] - [ 0.0000000000000000, -0.0001338500000000, -0.0007137000000000 ] - [ 0.0000247000000000, -0.0000142600000000, -0.0005751800000000 ] - [ 0.0000000000000000, 0.0000022300000000, -0.0003723200000000 ] - [ -0.0000077300000000, 0.0000044700000000, -0.0005402100000000 ] - [ 0.0000077300000000, 0.0000044700000000, -0.0005402100000000 ] - [ -0.0000019300000000, -0.0000011100000000, -0.0003723200000000 ] - [ 0.0000019300000000, -0.0000011100000000, -0.0003723200000000 ] - [ 0.0000000000000000, -0.0000089300000000, -0.0005402100000000 ] - [ 0.0001706400000000, -0.0000985200000000, -0.0003296000000000 ] - [ 0.0000000000000000, -0.0001427400000000, -0.0004028600000000 ] - [ 0.0001236200000000, 0.0000713700000000, -0.0004028600000000 ] - [ -0.0001706400000000, -0.0000985200000000, -0.0003296000000000 ] - [ -0.0001236200000000, 0.0000713700000000, -0.0004028600000000 ] - [ 0.0000000000000000, 0.0001970400000000, -0.0003296000000000 ] - [ -0.0000993400000000, 0.0000573500000000, -0.0003053000000000 ] - [ 0.0000000000000000, 0.0001654200000000, -0.0005902700000000 ] - [ 0.0000993400000000, 0.0000573500000000, -0.0003053000000000 ] - [ -0.0001432500000000, -0.0000827100000000, -0.0005902700000000 ] - [ 0.0001432500000000, -0.0000827100000000, -0.0005902700000000 ] - [ 0.0000000000000000, -0.0001147000000000, -0.0003053000000000 ] - [ -0.0000861100000000, 0.0000497100000000, -0.0005017700000000 ] - [ 0.0000000000000000, 0.0002139300000000, -0.0006746800000000 ] - [ 0.0000861100000000, 0.0000497100000000, -0.0005017700000000 ] - [ -0.0001852600000000, -0.0001069600000000, -0.0006746800000000 ] - [ 0.0001852600000000, -0.0001069600000000, -0.0006746800000000 ] - [ 0.0000000000000000, -0.0000994300000000, -0.0005017700000000 ] - [ -0.0001181100000000, 0.0000681900000000, -0.0007163200000000 ] - [ 0.0000000000000000, 0.0000275600000000, -0.0005750200000000 ] - [ 0.0001181100000000, 0.0000681900000000, -0.0007163200000000 ] - [ -0.0000238700000000, -0.0000137800000000, -0.0005750200000000 ] - [ 0.0000000000000000, -0.0001363800000000, -0.0007163200000000 ] - [ 0.0000238700000000, -0.0000137800000000, -0.0005750200000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0003695300000000 ] - [ -0.0000047500000000, 0.0000027400000000, -0.0005465000000000 ] - [ 0.0000047500000000, 0.0000027400000000, -0.0005465000000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0003695300000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0003695300000000 ] - [ 0.0000000000000000, -0.0000054900000000, -0.0005465000000000 ] - [ 0.0001737800000000, -0.0001003300000000, -0.0003331600000000 ] - [ 0.0000000000000000, -0.0001446000000000, -0.0004001600000000 ] - [ 0.0001252300000000, 0.0000723000000000, -0.0004001600000000 ] - [ -0.0001737800000000, -0.0001003300000000, -0.0003331600000000 ] - [ -0.0001252300000000, 0.0000723000000000, -0.0004001600000000 ] - [ 0.0000000000000000, 0.0002006600000000, -0.0003331600000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005394300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069394000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003922000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006009100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006663300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004460600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003933400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006627700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0168422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0077643900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013742100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012263100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013697500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010482300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010436900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013720800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002911900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001274000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007296200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004950100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007029800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007070400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007052700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004133100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005728300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015715200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004126100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005653400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005376600000000 ] - [ -0.0002742200000000, 0.0001583200000000, 0.0006004600000000 ] - [ 0.0000000000000000, -0.0000566900000000, 0.0004926700000000 ] - [ 0.0002742200000000, 0.0001583200000000, 0.0006004600000000 ] - [ 0.0000491000000000, 0.0000283500000000, 0.0004926700000000 ] - [ -0.0000491000000000, 0.0000283500000000, 0.0004926700000000 ] - [ 0.0000000000000000, -0.0003166400000000, 0.0006004600000000 ] - [ -0.0000966700000000, 0.0000558100000000, 0.0006491100000000 ] - [ 0.0000000000000000, -0.0002367600000000, -0.0000598700000000 ] - [ 0.0000966700000000, 0.0000558100000000, 0.0006491100000000 ] - [ 0.0002050400000000, 0.0001183800000000, -0.0000598700000000 ] - [ -0.0002050400000000, 0.0001183800000000, -0.0000598700000000 ] - [ 0.0000000000000000, -0.0001116300000000, 0.0006491100000000 ] - [ -0.0003665500000000, 0.0002116300000000, -0.0092873000000000 ] - [ 0.0000000000000000, 0.0006363200000000, -0.0085909100000000 ] - [ 0.0003665500000000, 0.0002116300000000, -0.0092873000000000 ] - [ -0.0005510700000000, -0.0003181600000000, -0.0085909100000000 ] - [ 0.0000000000000000, -0.0004232500000000, -0.0092873000000000 ] - [ 0.0005510700000000, -0.0003181600000000, -0.0085909100000000 ] - [ 0.0000000000000000, 0.0001289500000000, 0.0007851000000000 ] - [ -0.0006186600000000, 0.0003571800000000, -0.0002671200000000 ] - [ 0.0006186600000000, 0.0003571800000000, -0.0002671200000000 ] - [ -0.0001116700000000, -0.0000644700000000, 0.0007851000000000 ] - [ 0.0001116700000000, -0.0000644700000000, 0.0007851000000000 ] - [ 0.0000000000000000, -0.0007143700000000, -0.0002671200000000 ] - [ 0.0000156400000000, -0.0000090300000000, 0.0005606300000000 ] - [ 0.0000000000000000, -0.0001335300000000, 0.0007445300000000 ] - [ 0.0001156400000000, 0.0000667700000000, 0.0007445300000000 ] - [ -0.0000156400000000, -0.0000090300000000, 0.0005606300000000 ] - [ -0.0001156400000000, 0.0000667700000000, 0.0007445300000000 ] - [ 0.0000000000000000, 0.0000180600000000, 0.0005606300000000 ] - [ -0.0002759900000000, 0.0001593400000000, 0.0006029900000000 ] - [ 0.0000000000000000, -0.0000507600000000, 0.0004901200000000 ] - [ 0.0002759900000000, 0.0001593400000000, 0.0006029900000000 ] - [ 0.0000439600000000, 0.0000253800000000, 0.0004901200000000 ] - [ -0.0000439600000000, 0.0000253800000000, 0.0004901200000000 ] - [ 0.0000000000000000, -0.0003186800000000, 0.0006029900000000 ] - [ -0.0001695100000000, 0.0000978700000000, 0.0005969300000000 ] - [ 0.0000000000000000, 0.0000341800000000, 0.0002332800000000 ] - [ 0.0001695100000000, 0.0000978700000000, 0.0005969300000000 ] - [ -0.0000296000000000, -0.0000170900000000, 0.0002332800000000 ] - [ 0.0000296000000000, -0.0000170900000000, 0.0002332800000000 ] - [ 0.0000000000000000, -0.0001957300000000, 0.0005969300000000 ] - [ -0.0001003400000000, 0.0000579300000000, 0.0004466300000000 ] - [ 0.0000000000000000, 0.0000853500000000, 0.0003999900000000 ] - [ 0.0001003400000000, 0.0000579300000000, 0.0004466300000000 ] - [ -0.0000739100000000, -0.0000426700000000, 0.0003999900000000 ] - [ 0.0000000000000000, -0.0001158600000000, 0.0004466300000000 ] - [ 0.0000739100000000, -0.0000426700000000, 0.0003999900000000 ] - [ 0.0000000000000000, -0.0000137100000000, 0.0007466100000000 ] - [ -0.0000851900000000, 0.0000491900000000, 0.0004151000000000 ] - [ 0.0000851900000000, 0.0000491900000000, 0.0004151000000000 ] - [ 0.0000118700000000, 0.0000068500000000, 0.0007466100000000 ] - [ -0.0000118700000000, 0.0000068500000000, 0.0007466100000000 ] - [ 0.0000000000000000, -0.0000983700000000, 0.0004151000000000 ] - [ 0.0000172100000000, -0.0000099400000000, 0.0005671200000000 ] - [ 0.0000000000000000, -0.0001338400000000, 0.0007409400000000 ] - [ 0.0001159100000000, 0.0000669200000000, 0.0007409400000000 ] - [ -0.0000172100000000, -0.0000099400000000, 0.0005671200000000 ] - [ -0.0001159100000000, 0.0000669200000000, 0.0007409400000000 ] - [ 0.0000000000000000, 0.0000198700000000, 0.0005671200000000 ] - [ -0.0002742800000000, 0.0001583600000000, 0.0005997000000000 ] - [ 0.0000000000000000, -0.0000511000000000, 0.0004900000000000 ] - [ 0.0002742800000000, 0.0001583600000000, 0.0005997000000000 ] - [ 0.0000442600000000, 0.0000255500000000, 0.0004900000000000 ] - [ -0.0000442600000000, 0.0000255500000000, 0.0004900000000000 ] - [ 0.0000000000000000, -0.0003167200000000, 0.0005997000000000 ] - [ -0.0001690300000000, 0.0000975900000000, 0.0005962000000000 ] - [ 0.0000000000000000, 0.0000361400000000, 0.0002284400000000 ] - [ 0.0001690300000000, 0.0000975900000000, 0.0005962000000000 ] - [ -0.0000313000000000, -0.0000180700000000, 0.0002284400000000 ] - [ 0.0000313000000000, -0.0000180700000000, 0.0002284400000000 ] - [ 0.0000000000000000, -0.0001951700000000, 0.0005962000000000 ] - [ -0.0000988300000000, 0.0000570600000000, 0.0004411500000000 ] - [ 0.0000000000000000, 0.0000844100000000, 0.0003996800000000 ] - [ 0.0000988300000000, 0.0000570600000000, 0.0004411500000000 ] - [ -0.0000731000000000, -0.0000422100000000, 0.0003996800000000 ] - [ 0.0000000000000000, -0.0001141100000000, 0.0004411500000000 ] - [ 0.0000731000000000, -0.0000422100000000, 0.0003996800000000 ] - [ 0.0000000000000000, -0.0000146800000000, 0.0007487800000000 ] - [ -0.0000826900000000, 0.0000477400000000, 0.0004095400000000 ] - [ 0.0000826900000000, 0.0000477400000000, 0.0004095400000000 ] - [ 0.0000127100000000, 0.0000073400000000, 0.0007487800000000 ] - [ -0.0000127100000000, 0.0000073400000000, 0.0007487800000000 ] - [ 0.0000000000000000, -0.0000954900000000, 0.0004095400000000 ] - [ 0.0000197000000000, -0.0000113800000000, 0.0005640400000000 ] - [ 0.0000000000000000, -0.0001348000000000, 0.0007428000000000 ] - [ 0.0001167400000000, 0.0000674000000000, 0.0007428000000000 ] - [ -0.0000197000000000, -0.0000113800000000, 0.0005640400000000 ] - [ -0.0001167400000000, 0.0000674000000000, 0.0007428000000000 ] - [ 0.0000000000000000, 0.0000227500000000, 0.0005640400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001400000000, -0.0000000900000000, 0.0001172300000000 ] - [ -0.0000050900000000, 0.0000000700000000, -0.0000744800000000 ] - [ -0.0013198100000000, -0.0000014100000000, -0.0001536000000000 ] - [ -0.0009192700000000, 0.0000013400000000, 0.0000742200000000 ] - [ -0.0000043400000000, 0.0000000200000000, 0.0001377200000000 ] - [ -0.0000004600000000, -0.0000000300000000, 0.0001208000000000 ] - [ -0.0000013600000000, 0.0000001600000000, -0.0000717000000000 ] - [ -0.0000008200000000, 0.0000000400000000, -0.0001483100000000 ] - [ -0.0000008200000000, 0.0000000700000000, 0.0000675000000000 ] - [ -0.0000007200000000, -0.0000000800000000, 0.0001391500000000 ] - [ -0.0000003400000000, -0.0000001400000000, 0.0001210900000000 ] - [ -0.0000011300000000, 0.0000002100000000, -0.0000706400000000 ] - [ -0.0000006200000000, -0.0000000600000000, -0.0001452600000000 ] - [ -0.0000006100000000, -0.0000000400000000, 0.0000682500000000 ] - [ -0.0000009600000000, -0.0000000500000000, 0.0001404800000000 ] - [ 0.0000005300000000, -0.0000001300000000, 0.0001148700000000 ] - [ 0.0001001000000000, 0.0000002000000000, -0.0000518800000000 ] - [ 0.0076598600000000, -0.0000549700000000, 0.0000418400000000 ] - [ 0.0083412100000000, 0.0000544700000000, 0.0000382600000000 ] - [ 0.0001275900000000, -0.0000003600000000, -0.0002212600000000 ] - [ -0.0000009100000000, 0.0000000000000000, 0.0001159900000000 ] - [ -0.0000004900000000, -0.0000001900000000, -0.0000576800000000 ] - [ -0.0000007900000000, -0.0000000900000000, 0.0000071200000000 ] - [ -0.0000004000000000, -0.0000002200000000, 0.0000553700000000 ] - [ -0.0000005800000000, -0.0000001100000000, -0.0002214100000000 ] - [ -0.0000006600000000, -0.0000002200000000, 0.0001164300000000 ] - [ -0.0000006600000000, -0.0000000600000000, -0.0000514000000000 ] - [ -0.0000009300000000, -0.0000000100000000, 0.0000117300000000 ] - [ -0.0000005700000000, -0.0000001700000000, 0.0000600900000000 ] - [ -0.0000009100000000, 0.0000000300000000, -0.0002239700000000 ] - [ 0.0000157800000000, -0.0000003600000000, -0.0000072000000000 ] - [ 0.0031261800000000, 0.0000064000000000, -0.0002171900000000 ] - [ -0.0389256900000000, -0.0002155500000000, -0.0001435100000000 ] - [ -0.0002061600000000, 0.0000003500000000, -0.0002145400000000 ] - [ -0.0000029200000000, 0.0000001600000000, -0.0000338100000000 ] - [ -0.0000002200000000, -0.0000003000000000, -0.0000058900000000 ] - [ -0.0000012800000000, 0.0000002300000000, -0.0002169200000000 ] - [ 0.0000020000000000, -0.0000014900000000, 0.0000498400000000 ] - [ -0.0000003700000000, -0.0000001200000000, -0.0002148100000000 ] - [ -0.0000014300000000, 0.0000002300000000, -0.0000316900000000 ] - [ 0.0000002000000000, -0.0000004000000000, -0.0000043800000000 ] - [ -0.0000014000000000, 0.0000002600000000, -0.0002148000000000 ] - [ 0.0000023500000000, -0.0000016900000000, 0.0000514300000000 ] - [ -0.0000004400000000, -0.0000000200000000, -0.0002169300000000 ] - [ -0.0000014500000000, 0.0000003000000000, -0.0000306500000000 ] - [ -0.0000003300000000, -0.0000000400000000, 0.0004646500000000 ] - [ -0.0000035700000000, -0.0000002700000000, -0.0004674800000000 ] - [ 0.0060384300000000, -0.0000124000000000, 0.0003399800000000 ] - [ -0.0003354900000000, -0.0000007300000000, -0.0006545600000000 ] - [ 0.0000303900000000, 0.0000000200000000, 0.0003512000000000 ] - [ -0.0000011900000000, 0.0000002900000000, 0.0004739900000000 ] - [ 0.0000002100000000, -0.0000006000000000, -0.0004543400000000 ] - [ -0.0000009500000000, -0.0000001200000000, 0.0003381400000000 ] - [ -0.0000010100000000, 0.0000002900000000, -0.0006680000000000 ] - [ -0.0000017200000000, 0.0000004300000000, 0.0003471200000000 ] - [ -0.0000013800000000, 0.0000006000000000, 0.0004745200000000 ] - [ 0.0000003100000000, -0.0000003300000000, -0.0004541500000000 ] - [ -0.0000011700000000, 0.0000001300000000, 0.0003452200000000 ] - [ -0.0000017000000000, 0.0000005700000000, -0.0006561500000000 ] - [ -0.0000009300000000, -0.0000000500000000, 0.0003519600000000 ] - [ -0.0001849600000000, 0.0001065200000000, 0.0001469200000000 ] - [ -0.0000012900000000, 0.0000524100000000, -0.0000431900000000 ] - [ 0.0001856300000000, 0.0001062400000000, 0.0001480100000000 ] - [ -0.0000467300000000, -0.0000259300000000, -0.0000445900000000 ] - [ 0.0000454900000000, -0.0000264900000000, -0.0000420200000000 ] - [ 0.0000006300000000, -0.0002146100000000, 0.0001486700000000 ] - [ -0.0001339700000000, 0.0000753100000000, 0.0000453200000000 ] - [ 0.0000436600000000, 0.0001234000000000, -0.0002213200000000 ] - [ 0.0001292200000000, 0.0000767000000000, 0.0000578600000000 ] - [ -0.0001158200000000, -0.0000922300000000, -0.0002919400000000 ] - [ 0.0000994300000000, -0.0000323700000000, -0.0001537000000000 ] - [ -0.0000035700000000, -0.0001505200000000, 0.0000513000000000 ] - [ -0.0000687300000000, -0.0003899800000000, -0.0008463500000000 ] - [ 0.0040146200000000, 0.0000855200000000, -0.0001114300000000 ] - [ 0.0001502800000000, 0.0005142000000000, 0.0005666300000000 ] - [ 0.0065856300000000, 0.0014881000000000, 0.0028959500000000 ] - [ -0.0007423100000000, -0.0001239000000000, -0.0001420800000000 ] - [ 0.0062071600000000, -0.0012642300000000, -0.0027437100000000 ] - [ -0.0008218500000000, -0.0000061700000000, 0.0001901700000000 ] - [ -0.0009909700000000, 0.0021605400000000, 0.0024920500000000 ] - [ -0.0010954200000000, -0.0021901500000000, -0.0027443200000000 ] - [ 0.0001823200000000, 0.0005821000000000, 0.0011461600000000 ] - [ 0.0001741300000000, -0.0005726900000000, -0.0007653200000000 ] - [ 0.0027250500000000, -0.0000559400000000, -0.0000564000000000 ] - [ 0.0000897900000000, -0.0000290200000000, 0.0001736500000000 ] - [ -0.0000047900000000, -0.0001385400000000, 0.0001721200000000 ] - [ 0.0001173500000000, 0.0000708800000000, 0.0001813500000000 ] - [ -0.0001020600000000, -0.0000827200000000, 0.0000588000000000 ] - [ -0.0001234400000000, 0.0000688500000000, 0.0001650100000000 ] - [ 0.0000403100000000, 0.0001099400000000, 0.0001175600000000 ] - [ -0.0001871500000000, 0.0001075700000000, 0.0001492600000000 ] - [ -0.0000015300000000, 0.0000552900000000, -0.0000480000000000 ] - [ 0.0001875100000000, 0.0001076100000000, 0.0001509200000000 ] - [ -0.0000490600000000, -0.0000271700000000, -0.0000489000000000 ] - [ 0.0000483700000000, -0.0000283200000000, -0.0000476900000000 ] - [ 0.0000002000000000, -0.0002167400000000, 0.0001511000000000 ] - [ -0.0001322100000000, 0.0000759500000000, 0.0000489700000000 ] - [ -0.0000002400000000, 0.0001223500000000, -0.0002186200000000 ] - [ 0.0001280000000000, 0.0000744300000000, 0.0000466500000000 ] - [ -0.0001063100000000, -0.0000615200000000, -0.0002191700000000 ] - [ 0.0001071900000000, -0.0000623200000000, -0.0002208300000000 ] - [ -0.0000008000000000, -0.0001487000000000, 0.0000474600000000 ] - [ -0.0001105500000000, 0.0000633800000000, -0.0001329900000000 ] - [ -0.0000006800000000, 0.0000586200000000, -0.0000889400000000 ] - [ 0.0001078000000000, 0.0000633500000000, -0.0001343200000000 ] - [ -0.0000514600000000, -0.0000294000000000, -0.0000887200000000 ] - [ -0.0000013900000000, -0.0001256400000000, -0.0001346400000000 ] - [ 0.0000458400000000, -0.0000268700000000, -0.0000866800000000 ] - [ -0.0000015100000000, -0.0000069500000000, 0.0001902700000000 ] - [ -0.0000447300000000, 0.0000254000000000, -0.0000621200000000 ] - [ 0.0000466700000000, 0.0000275400000000, -0.0000600600000000 ] - [ 0.0000046300000000, 0.0000040500000000, 0.0001905200000000 ] - [ -0.0000084500000000, 0.0000045000000000, 0.0001926600000000 ] - [ -0.0000008700000000, -0.0000548400000000, -0.0000606100000000 ] - [ 0.0000946400000000, -0.0000551700000000, 0.0001178400000000 ] - [ -0.0000009900000000, -0.0001376100000000, 0.0001687300000000 ] - [ 0.0001180800000000, 0.0000690000000000, 0.0001691100000000 ] - [ -0.0000932200000000, -0.0000540800000000, 0.0001199400000000 ] - [ -0.0001208000000000, 0.0000694300000000, 0.0001702100000000 ] - [ -0.0000002200000000, 0.0001073900000000, 0.0001204100000000 ] - [ -0.0001854000000000, 0.0001065700000000, 0.0001462000000000 ] - [ -0.0000016300000000, 0.0000552300000000, -0.0000479300000000 ] - [ 0.0001857900000000, 0.0001066300000000, 0.0001477700000000 ] - [ -0.0000490800000000, -0.0000271000000000, -0.0000487700000000 ] - [ 0.0000483500000000, -0.0000283500000000, -0.0000475900000000 ] - [ 0.0000002000000000, -0.0002147300000000, 0.0001479700000000 ] - [ -0.0001319300000000, 0.0000757800000000, 0.0000487100000000 ] - [ -0.0000002900000000, 0.0001243400000000, -0.0002232500000000 ] - [ 0.0001280700000000, 0.0000743900000000, 0.0000466100000000 ] - [ -0.0001080200000000, -0.0000624600000000, -0.0002237500000000 ] - [ 0.0001090600000000, -0.0000634000000000, -0.0002255100000000 ] - [ -0.0000007500000000, -0.0001487400000000, 0.0000474400000000 ] - [ -0.0001088900000000, 0.0000624100000000, -0.0001384700000000 ] - [ -0.0000007400000000, 0.0000578300000000, -0.0000888400000000 ] - [ 0.0001064700000000, 0.0000625000000000, -0.0001396400000000 ] - [ -0.0000508000000000, -0.0000289500000000, -0.0000886000000000 ] - [ -0.0000013200000000, -0.0001240600000000, -0.0001399500000000 ] - [ 0.0000450500000000, -0.0000264100000000, -0.0000865100000000 ] - [ -0.0000014400000000, -0.0000079100000000, 0.0001921400000000 ] - [ -0.0000424000000000, 0.0000240500000000, -0.0000673300000000 ] - [ 0.0000444300000000, 0.0000263000000000, -0.0000652100000000 ] - [ 0.0000055300000000, 0.0000044700000000, 0.0001924100000000 ] - [ -0.0000090200000000, 0.0000048100000000, 0.0001943600000000 ] - [ -0.0000009300000000, -0.0000522200000000, -0.0000658000000000 ] - [ 0.0000970000000000, -0.0000565300000000, 0.0001147900000000 ] - [ -0.0000010700000000, -0.0001385100000000, 0.0001706800000000 ] - [ 0.0001188400000000, 0.0000695200000000, 0.0001710900000000 ] - [ -0.0000957300000000, -0.0000555400000000, 0.0001167600000000 ] - [ -0.0001219500000000, 0.0000700900000000, 0.0001724200000000 ] - [ -0.0000002200000000, 0.0001102700000000, 0.0001172400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005435200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003705400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039710900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005704100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005473400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002798800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004986000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005470200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007965600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0122930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0147188500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007376100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000371700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0365292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001922700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003984200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003896000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001920500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011994000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004024800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011521600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012094300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010983300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000806300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010886300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011053800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010931600000000 ] - [ -0.0001167400000000, 0.0000674000000000, -0.0002172300000000 ] - [ 0.0000000000000000, 0.0001407300000000, -0.0004851800000000 ] - [ 0.0001167400000000, 0.0000674000000000, -0.0002172300000000 ] - [ -0.0001218800000000, -0.0000703700000000, -0.0004851800000000 ] - [ 0.0001218800000000, -0.0000703700000000, -0.0004851800000000 ] - [ 0.0000000000000000, -0.0001348000000000, -0.0002172300000000 ] - [ -0.0000817700000000, 0.0000472100000000, -0.0004085800000000 ] - [ 0.0000000000000000, 0.0000775900000000, -0.0006280900000000 ] - [ 0.0000817700000000, 0.0000472100000000, -0.0004085800000000 ] - [ -0.0000671900000000, -0.0000387900000000, -0.0006280900000000 ] - [ 0.0000671900000000, -0.0000387900000000, -0.0006280900000000 ] - [ 0.0000000000000000, -0.0000944200000000, -0.0004085800000000 ] - [ 0.0003188800000000, -0.0001841100000000, 0.0000884600000000 ] - [ 0.0000000000000000, -0.0022774900000000, 0.0115529900000000 ] - [ -0.0003188800000000, -0.0001841100000000, 0.0000884600000000 ] - [ 0.0019723700000000, 0.0011387500000000, 0.0115529900000000 ] - [ 0.0000000000000000, 0.0003682100000000, 0.0000884600000000 ] - [ -0.0019723700000000, 0.0011387500000000, 0.0115529900000000 ] - [ 0.0000000000000000, 0.0007059600000000, 0.0001006100000000 ] - [ 0.0010294800000000, -0.0005943700000000, 0.0065480800000000 ] - [ -0.0010294800000000, -0.0005943700000000, 0.0065480800000000 ] - [ -0.0006113800000000, -0.0003529800000000, 0.0001006100000000 ] - [ 0.0006113800000000, -0.0003529800000000, 0.0001006100000000 ] - [ 0.0000000000000000, 0.0011887400000000, 0.0065480800000000 ] - [ 0.0001117800000000, -0.0000645400000000, -0.0002975200000000 ] - [ 0.0000000000000000, -0.0001323500000000, -0.0002966900000000 ] - [ 0.0001146200000000, 0.0000661800000000, -0.0002966900000000 ] - [ -0.0001117800000000, -0.0000645400000000, -0.0002975200000000 ] - [ -0.0001146200000000, 0.0000661800000000, -0.0002966900000000 ] - [ 0.0000000000000000, 0.0001290800000000, -0.0002975200000000 ] - [ -0.0001178900000000, 0.0000680600000000, -0.0002155600000000 ] - [ 0.0000000000000000, 0.0001452000000000, -0.0004904100000000 ] - [ 0.0001178900000000, 0.0000680600000000, -0.0002155600000000 ] - [ -0.0001257500000000, -0.0000726000000000, -0.0004904100000000 ] - [ 0.0001257500000000, -0.0000726000000000, -0.0004904100000000 ] - [ 0.0000000000000000, -0.0001361300000000, -0.0002155600000000 ] - [ -0.0000875800000000, 0.0000505600000000, -0.0004197900000000 ] - [ 0.0000000000000000, 0.0001946300000000, -0.0005996400000000 ] - [ 0.0000875800000000, 0.0000505600000000, -0.0004197900000000 ] - [ -0.0001685600000000, -0.0000973200000000, -0.0005996400000000 ] - [ 0.0001685600000000, -0.0000973200000000, -0.0005996400000000 ] - [ 0.0000000000000000, -0.0001011300000000, -0.0004197900000000 ] - [ -0.0001156800000000, 0.0000667900000000, -0.0006087100000000 ] - [ 0.0000000000000000, 0.0000319700000000, -0.0004858500000000 ] - [ 0.0001156800000000, 0.0000667900000000, -0.0006087100000000 ] - [ -0.0000276900000000, -0.0000159900000000, -0.0004858500000000 ] - [ 0.0000000000000000, -0.0001335800000000, -0.0006087100000000 ] - [ 0.0000276900000000, -0.0000159900000000, -0.0004858500000000 ] - [ 0.0000000000000000, 0.0000015000000000, -0.0002825800000000 ] - [ -0.0000133100000000, 0.0000076800000000, -0.0004593100000000 ] - [ 0.0000133100000000, 0.0000076800000000, -0.0004593100000000 ] - [ -0.0000013000000000, -0.0000007500000000, -0.0002825800000000 ] - [ 0.0000013000000000, -0.0000007500000000, -0.0002825800000000 ] - [ 0.0000000000000000, -0.0000153700000000, -0.0004593100000000 ] - [ 0.0001568500000000, -0.0000905600000000, -0.0002575800000000 ] - [ 0.0000000000000000, -0.0001410300000000, -0.0003047300000000 ] - [ 0.0001221400000000, 0.0000705200000000, -0.0003047300000000 ] - [ -0.0001568500000000, -0.0000905600000000, -0.0002575800000000 ] - [ -0.0001221400000000, 0.0000705200000000, -0.0003047300000000 ] - [ 0.0000000000000000, 0.0001811100000000, -0.0002575800000000 ] - [ -0.0001161500000000, 0.0000670600000000, -0.0002193900000000 ] - [ 0.0000000000000000, 0.0001455700000000, -0.0004907700000000 ] - [ 0.0001161500000000, 0.0000670600000000, -0.0002193900000000 ] - [ -0.0001260700000000, -0.0000727900000000, -0.0004907700000000 ] - [ 0.0001260700000000, -0.0000727900000000, -0.0004907700000000 ] - [ 0.0000000000000000, -0.0001341200000000, -0.0002193900000000 ] - [ -0.0000880900000000, 0.0000508600000000, -0.0004192900000000 ] - [ 0.0000000000000000, 0.0001959400000000, -0.0006036300000000 ] - [ 0.0000880900000000, 0.0000508600000000, -0.0004192900000000 ] - [ -0.0001696900000000, -0.0000979700000000, -0.0006036300000000 ] - [ 0.0001696900000000, -0.0000979700000000, -0.0006036300000000 ] - [ 0.0000000000000000, -0.0001017100000000, -0.0004192900000000 ] - [ -0.0001135800000000, 0.0000655800000000, -0.0006147700000000 ] - [ 0.0000000000000000, 0.0000309700000000, -0.0004857900000000 ] - [ 0.0001135800000000, 0.0000655800000000, -0.0006147700000000 ] - [ -0.0000268200000000, -0.0000154800000000, -0.0004857900000000 ] - [ 0.0000000000000000, -0.0001311500000000, -0.0006147700000000 ] - [ 0.0000268200000000, -0.0000154800000000, -0.0004857900000000 ] - [ 0.0000000000000000, 0.0000006800000000, -0.0002808800000000 ] - [ -0.0000108800000000, 0.0000062800000000, -0.0004649300000000 ] - [ 0.0000108800000000, 0.0000062800000000, -0.0004649300000000 ] - [ -0.0000005900000000, -0.0000003400000000, -0.0002808800000000 ] - [ 0.0000005900000000, -0.0000003400000000, -0.0002808800000000 ] - [ 0.0000000000000000, -0.0000125600000000, -0.0004649300000000 ] - [ 0.0001590700000000, -0.0000918400000000, -0.0002603400000000 ] - [ 0.0000000000000000, -0.0001419100000000, -0.0003029100000000 ] - [ 0.0001229000000000, 0.0000709600000000, -0.0003029100000000 ] - [ -0.0001590700000000, -0.0000918400000000, -0.0002603400000000 ] - [ -0.0001229000000000, 0.0000709600000000, -0.0003029100000000 ] - [ 0.0000000000000000, 0.0001836700000000, -0.0002603400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005200800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041954800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003046200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005763900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002886100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005731400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003601100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0122581400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0149207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008471400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010269300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009545900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009497900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011836100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004110100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0365812600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004369600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006229000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006238200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010914700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004222700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014152700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002604800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013294900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003873400000000 ] - [ -0.0002508900000000, 0.0001448500000000, 0.0005209300000000 ] - [ 0.0000000000000000, -0.0000375100000000, 0.0004017100000000 ] - [ 0.0002508900000000, 0.0001448500000000, 0.0005209300000000 ] - [ 0.0000324800000000, 0.0000187500000000, 0.0004017100000000 ] - [ -0.0000324800000000, 0.0000187500000000, 0.0004017100000000 ] - [ 0.0000000000000000, -0.0002897000000000, 0.0005209300000000 ] - [ -0.0001779100000000, 0.0001027100000000, 0.0005045400000000 ] - [ 0.0000000000000000, 0.0001727500000000, 0.0001695100000000 ] - [ 0.0001779100000000, 0.0001027100000000, 0.0005045400000000 ] - [ -0.0001496000000000, -0.0000863700000000, 0.0001695100000000 ] - [ 0.0001496000000000, -0.0000863700000000, 0.0001695100000000 ] - [ 0.0000000000000000, -0.0002054300000000, 0.0005045400000000 ] - [ -0.0005381700000000, 0.0003107100000000, -0.0003458400000000 ] - [ 0.0000000000000000, 0.0021572500000000, -0.0116013500000000 ] - [ 0.0005381700000000, 0.0003107100000000, -0.0003458400000000 ] - [ -0.0018682400000000, -0.0010786300000000, -0.0116013500000000 ] - [ 0.0000000000000000, -0.0006214200000000, -0.0003458400000000 ] - [ 0.0018682400000000, -0.0010786300000000, -0.0116013500000000 ] - [ 0.0000000000000000, -0.0007214400000000, 0.0002662400000000 ] - [ -0.0009914500000000, 0.0005724100000000, -0.0068126600000000 ] - [ 0.0009914500000000, 0.0005724100000000, -0.0068126600000000 ] - [ 0.0006247800000000, 0.0003607200000000, 0.0002662400000000 ] - [ -0.0006247800000000, 0.0003607200000000, 0.0002662400000000 ] - [ 0.0000000000000000, -0.0011448300000000, -0.0068126600000000 ] - [ 0.0000861200000000, -0.0000497200000000, 0.0005211700000000 ] - [ 0.0000000000000000, -0.0001520500000000, 0.0006492800000000 ] - [ 0.0001316800000000, 0.0000760200000000, 0.0006492800000000 ] - [ -0.0000861200000000, -0.0000497200000000, 0.0005211700000000 ] - [ -0.0001316800000000, 0.0000760200000000, 0.0006492800000000 ] - [ 0.0000000000000000, 0.0000994500000000, 0.0005211700000000 ] - [ -0.0002525500000000, 0.0001458100000000, 0.0005222500000000 ] - [ 0.0000000000000000, -0.0000350300000000, 0.0003965800000000 ] - [ 0.0002525500000000, 0.0001458100000000, 0.0005222500000000 ] - [ 0.0000303300000000, 0.0000175100000000, 0.0003965800000000 ] - [ -0.0000303300000000, 0.0000175100000000, 0.0003965800000000 ] - [ 0.0000000000000000, -0.0002916200000000, 0.0005222500000000 ] - [ -0.0001674100000000, 0.0000966500000000, 0.0005061500000000 ] - [ 0.0000000000000000, 0.0000537900000000, 0.0001481200000000 ] - [ 0.0001674100000000, 0.0000966500000000, 0.0005061500000000 ] - [ -0.0000465800000000, -0.0000268900000000, 0.0001481200000000 ] - [ 0.0000465800000000, -0.0000268900000000, 0.0001481200000000 ] - [ 0.0000000000000000, -0.0001933100000000, 0.0005061500000000 ] - [ -0.0001058600000000, 0.0000611200000000, 0.0003516300000000 ] - [ 0.0000000000000000, 0.0000807100000000, 0.0003220700000000 ] - [ 0.0001058600000000, 0.0000611200000000, 0.0003516300000000 ] - [ -0.0000699000000000, -0.0000403600000000, 0.0003220700000000 ] - [ 0.0000000000000000, -0.0001222300000000, 0.0003516300000000 ] - [ 0.0000699000000000, -0.0000403600000000, 0.0003220700000000 ] - [ 0.0000000000000000, -0.0000179700000000, 0.0006597100000000 ] - [ -0.0000770600000000, 0.0000444900000000, 0.0003340800000000 ] - [ 0.0000770600000000, 0.0000444900000000, 0.0003340800000000 ] - [ 0.0000155600000000, 0.0000089800000000, 0.0006597100000000 ] - [ -0.0000155600000000, 0.0000089800000000, 0.0006597100000000 ] - [ 0.0000000000000000, -0.0000889800000000, 0.0003340800000000 ] - [ 0.0000346000000000, -0.0000199700000000, 0.0004879700000000 ] - [ 0.0000000000000000, -0.0001397600000000, 0.0006492100000000 ] - [ 0.0001210300000000, 0.0000698800000000, 0.0006492100000000 ] - [ -0.0000346000000000, -0.0000199700000000, 0.0004879700000000 ] - [ -0.0001210300000000, 0.0000698800000000, 0.0006492100000000 ] - [ 0.0000000000000000, 0.0000399500000000, 0.0004879700000000 ] - [ -0.0002507100000000, 0.0001447500000000, 0.0005191700000000 ] - [ 0.0000000000000000, -0.0000359500000000, 0.0003984500000000 ] - [ 0.0002507100000000, 0.0001447500000000, 0.0005191700000000 ] - [ 0.0000311400000000, 0.0000179800000000, 0.0003984500000000 ] - [ -0.0000311400000000, 0.0000179800000000, 0.0003984500000000 ] - [ 0.0000000000000000, -0.0002894900000000, 0.0005191700000000 ] - [ -0.0001660700000000, 0.0000958800000000, 0.0005046100000000 ] - [ 0.0000000000000000, 0.0000549500000000, 0.0001433500000000 ] - [ 0.0001660700000000, 0.0000958800000000, 0.0005046100000000 ] - [ -0.0000475900000000, -0.0000274700000000, 0.0001433500000000 ] - [ 0.0000475900000000, -0.0000274700000000, 0.0001433500000000 ] - [ 0.0000000000000000, -0.0001917600000000, 0.0005046100000000 ] - [ -0.0001037400000000, 0.0000599000000000, 0.0003468000000000 ] - [ 0.0000000000000000, 0.0000797000000000, 0.0003230900000000 ] - [ 0.0001037400000000, 0.0000599000000000, 0.0003468000000000 ] - [ -0.0000690200000000, -0.0000398500000000, 0.0003230900000000 ] - [ 0.0000000000000000, -0.0001197900000000, 0.0003468000000000 ] - [ 0.0000690200000000, -0.0000398500000000, 0.0003230900000000 ] - [ 0.0000000000000000, -0.0000189400000000, 0.0006612400000000 ] - [ -0.0000747000000000, 0.0000431300000000, 0.0003287900000000 ] - [ 0.0000747000000000, 0.0000431300000000, 0.0003287900000000 ] - [ 0.0000164000000000, 0.0000094700000000, 0.0006612400000000 ] - [ -0.0000164000000000, 0.0000094700000000, 0.0006612400000000 ] - [ 0.0000000000000000, -0.0000862600000000, 0.0003287900000000 ] - [ 0.0000371800000000, -0.0000214600000000, 0.0004846400000000 ] - [ 0.0000000000000000, -0.0001409200000000, 0.0006514000000000 ] - [ 0.0001220400000000, 0.0000704600000000, 0.0006514000000000 ] - [ -0.0000371800000000, -0.0000214600000000, 0.0004846400000000 ] - [ -0.0001220400000000, 0.0000704600000000, 0.0006514000000000 ] - [ 0.0000000000000000, 0.0000429300000000, 0.0004846400000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000300000000, -0.0000001100000000, 0.0001175000000000 ] - [ -0.0000006100000000, 0.0000000900000000, -0.0000749500000000 ] - [ -0.0000085000000000, -0.0000000100000000, -0.0001452300000000 ] - [ 0.0038097400000000, -0.0000269800000000, 0.0000828700000000 ] - [ -0.0010288500000000, 0.0000015200000000, 0.0001430900000000 ] - [ -0.0000002400000000, -0.0000000700000000, 0.0001213700000000 ] - [ -0.0000007100000000, 0.0000001600000000, -0.0000722700000000 ] - [ -0.0000007700000000, 0.0000000600000000, -0.0001486800000000 ] - [ -0.0000005200000000, 0.0000000800000000, 0.0000682100000000 ] - [ -0.0000001900000000, -0.0000001000000000, 0.0001390500000000 ] - [ -0.0000029400000000, -0.0000001400000000, 0.0001215500000000 ] - [ -0.0000004100000000, 0.0000002200000000, -0.0000712600000000 ] - [ -0.0000002600000000, -0.0000000500000000, -0.0001456700000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0000689600000000 ] - [ -0.0000002300000000, -0.0000000300000000, 0.0001402400000000 ] - [ 0.0001476500000000, -0.0000003400000000, 0.0001159200000000 ] - [ 0.0000008500000000, 0.0000000200000000, -0.0000526500000000 ] - [ 0.0001046300000000, -0.0000000400000000, 0.0000152600000000 ] - [ -0.0020749800000000, -0.0000027600000000, 0.0000485700000000 ] - [ 0.0079469400000000, 0.0000554800000000, -0.0002469500000000 ] - [ -0.0000005500000000, 0.0000000100000000, 0.0001173300000000 ] - [ -0.0000001500000000, -0.0000001800000000, -0.0000587100000000 ] - [ -0.0000004500000000, -0.0000001000000000, 0.0000079200000000 ] - [ 0.0000000500000000, -0.0000002300000000, 0.0000556400000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0002217900000000 ] - [ -0.0000002200000000, -0.0000002200000000, 0.0001177600000000 ] - [ -0.0000002400000000, -0.0000000500000000, -0.0000525400000000 ] - [ -0.0000005500000000, 0.0000000000000000, 0.0000125300000000 ] - [ -0.0000001800000000, -0.0000001700000000, 0.0000602900000000 ] - [ -0.0000004400000000, 0.0000000400000000, -0.0002243200000000 ] - [ 0.0000005100000000, -0.0000003800000000, -0.0000091000000000 ] - [ 0.0000272000000000, 0.0000005100000000, -0.0002136800000000 ] - [ -0.0002030100000000, -0.0000019000000000, 0.0000535200000000 ] - [ -0.0334196300000000, -0.0000599000000000, -0.0002246200000000 ] - [ -0.0002158200000000, 0.0000004300000000, -0.0000337700000000 ] - [ 0.0000003100000000, -0.0000003000000000, -0.0000077300000000 ] - [ -0.0000008500000000, 0.0000002400000000, -0.0002154700000000 ] - [ 0.0000024700000000, -0.0000014700000000, 0.0000499000000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0002148200000000 ] - [ -0.0000009100000000, 0.0000002300000000, -0.0000311900000000 ] - [ 0.0000005700000000, -0.0000004600000000, -0.0000061200000000 ] - [ -0.0000008000000000, 0.0000003200000000, -0.0002130200000000 ] - [ 0.0000027500000000, -0.0000016800000000, 0.0000514500000000 ] - [ -0.0000001500000000, 0.0000000000000000, -0.0002169600000000 ] - [ -0.0000011900000000, 0.0000003000000000, -0.0000302400000000 ] - [ -0.0000002300000000, -0.0000000400000000, 0.0004638900000000 ] - [ 0.0000004000000000, -0.0000002400000000, -0.0004674400000000 ] - [ 0.0067685700000000, 0.0000133000000000, 0.0003376100000000 ] - [ -0.0000043200000000, -0.0000000800000000, -0.0006545800000000 ] - [ 0.0066541100000000, -0.0000132400000000, 0.0003531800000000 ] - [ -0.0000008100000000, 0.0000002700000000, 0.0004735400000000 ] - [ 0.0000006900000000, -0.0000005900000000, -0.0004543700000000 ] - [ -0.0000003200000000, -0.0000000900000000, 0.0003373900000000 ] - [ -0.0000007900000000, 0.0000002800000000, -0.0006668200000000 ] - [ -0.0000016100000000, 0.0000004200000000, 0.0003483000000000 ] - [ 0.0000325300000000, 0.0000005200000000, 0.0004741300000000 ] - [ -0.0000033700000000, -0.0000003300000000, -0.0004537300000000 ] - [ -0.0000008500000000, 0.0000001400000000, 0.0003440400000000 ] - [ -0.0000008200000000, 0.0000005600000000, -0.0006548600000000 ] - [ -0.0000006300000000, -0.0000000400000000, 0.0003529800000000 ] - [ -0.0001924500000000, 0.0001346400000000, 0.0002126800000000 ] - [ -0.0000012500000000, 0.0000518800000000, -0.0000421500000000 ] - [ 0.0001788300000000, 0.0000784200000000, 0.0000872100000000 ] - [ -0.0000457200000000, -0.0000253800000000, -0.0000429800000000 ] - [ 0.0000455300000000, -0.0000264900000000, -0.0000414800000000 ] - [ 0.0000419300000000, -0.0002149000000000, 0.0001508900000000 ] - [ -0.0001313000000000, 0.0000756100000000, 0.0000502800000000 ] - [ 0.0000006000000000, 0.0001245700000000, -0.0002251500000000 ] - [ 0.0001281400000000, 0.0000742000000000, 0.0000483000000000 ] - [ -0.0001080500000000, -0.0000629500000000, -0.0002265300000000 ] - [ 0.0001091600000000, -0.0000629200000000, -0.0002263600000000 ] - [ -0.0000003500000000, -0.0001484800000000, 0.0000491000000000 ] - [ -0.0001104200000000, 0.0000602000000000, -0.0001449700000000 ] - [ 0.0000423800000000, 0.0000584700000000, -0.0000871500000000 ] - [ 0.0001062100000000, 0.0000654900000000, -0.0001266100000000 ] - [ -0.0000161300000000, -0.0000338500000000, -0.0002219200000000 ] - [ -0.0000067000000000, -0.0001245400000000, -0.0001368800000000 ] - [ 0.0000808400000000, -0.0000222000000000, 0.0000491300000000 ] - [ 0.0027143600000000, 0.0000074500000000, 0.0001738400000000 ] - [ 0.0001446400000000, -0.0006134400000000, -0.0010153800000000 ] - [ 0.0002371400000000, 0.0006637700000000, 0.0008871500000000 ] - [ 0.0022611700000000, -0.0002631800000000, -0.0001525000000000 ] - [ 0.0019331700000000, 0.0004481900000000, 0.0007691400000000 ] - [ -0.0009151900000000, -0.0000542300000000, -0.0000650700000000 ] - [ 0.0015637400000000, 0.0007850000000000, 0.0011311300000000 ] - [ -0.0009331500000000, -0.0001385100000000, 0.0001743200000000 ] - [ 0.0003041500000000, 0.0007166900000000, 0.0012097100000000 ] - [ 0.0010936200000000, -0.0010424000000000, -0.0011167600000000 ] - [ 0.0000669000000000, -0.0005750200000000, -0.0008606400000000 ] - [ 0.0029121600000000, 0.0001005100000000, 0.0001246200000000 ] - [ -0.0001868900000000, 0.0001076500000000, 0.0001509300000000 ] - [ -0.0000011500000000, 0.0000549800000000, -0.0000469200000000 ] - [ 0.0001880500000000, 0.0001076900000000, 0.0001526000000000 ] - [ -0.0000483300000000, -0.0000269900000000, -0.0000477400000000 ] - [ 0.0000485100000000, -0.0000282100000000, -0.0000465900000000 ] - [ 0.0000006000000000, -0.0002168800000000, 0.0001527300000000 ] - [ -0.0001299800000000, 0.0000748800000000, 0.0000466000000000 ] - [ 0.0000001300000000, 0.0001235000000000, -0.0002220100000000 ] - [ 0.0001265600000000, 0.0000733400000000, 0.0000442400000000 ] - [ -0.0001069500000000, -0.0000620900000000, -0.0002226100000000 ] - [ 0.0001086100000000, -0.0000629200000000, -0.0002241700000000 ] - [ -0.0000003800000000, -0.0001466500000000, 0.0000451300000000 ] - [ -0.0001116800000000, 0.0000642500000000, -0.0001296200000000 ] - [ -0.0000002900000000, 0.0000582600000000, -0.0000855400000000 ] - [ 0.0001097400000000, 0.0000642500000000, -0.0001309500000000 ] - [ -0.0000507600000000, -0.0000292400000000, -0.0000853800000000 ] - [ -0.0000010000000000, -0.0001274100000000, -0.0001312700000000 ] - [ 0.0000459300000000, -0.0000266900000000, -0.0000833000000000 ] - [ -0.0000011000000000, -0.0000076900000000, 0.0001888100000000 ] - [ -0.0000429300000000, 0.0000246100000000, -0.0000639800000000 ] - [ 0.0000457400000000, 0.0000267800000000, -0.0000618600000000 ] - [ 0.0000056800000000, 0.0000044200000000, 0.0001890400000000 ] - [ -0.0000087000000000, 0.0000048900000000, 0.0001912500000000 ] - [ -0.0000004500000000, -0.0000533100000000, -0.0000624400000000 ] - [ 0.0000961100000000, -0.0000557900000000, 0.0001154300000000 ] - [ -0.0000006300000000, -0.0001389900000000, 0.0001698900000000 ] - [ 0.0001196900000000, 0.0000697500000000, 0.0001703300000000 ] - [ -0.0000940000000000, -0.0000547400000000, 0.0001175200000000 ] - [ -0.0001216000000000, 0.0000701200000000, 0.0001713400000000 ] - [ 0.0000001600000000, 0.0001086500000000, 0.0001180000000000 ] - [ -0.0001849000000000, 0.0001064900000000, 0.0001481300000000 ] - [ -0.0000048700000000, 0.0000550900000000, -0.0000466900000000 ] - [ 0.0001860400000000, 0.0001065600000000, 0.0001497100000000 ] - [ -0.0000484500000000, -0.0000248800000000, -0.0000375200000000 ] - [ 0.0000486500000000, -0.0000304100000000, -0.0000562400000000 ] - [ 0.0000005700000000, -0.0002145600000000, 0.0001498600000000 ] - [ -0.0001296400000000, 0.0000749500000000, 0.0000465900000000 ] - [ 0.0000000200000000, 0.0001254100000000, -0.0002268800000000 ] - [ 0.0001263900000000, 0.0000728800000000, 0.0000432500000000 ] - [ -0.0001085800000000, -0.0000629800000000, -0.0002274200000000 ] - [ 0.0001104200000000, -0.0000640000000000, -0.0002291400000000 ] - [ 0.0000001400000000, -0.0001464900000000, 0.0000447200000000 ] - [ -0.0001097700000000, 0.0000631600000000, -0.0001351900000000 ] - [ -0.0000003700000000, 0.0000574000000000, -0.0000851600000000 ] - [ 0.0001081600000000, 0.0000632500000000, -0.0001363800000000 ] - [ -0.0000500600000000, -0.0000287500000000, -0.0000849600000000 ] - [ -0.0000009200000000, -0.0001254900000000, -0.0001366900000000 ] - [ 0.0000450800000000, -0.0000262100000000, -0.0000828200000000 ] - [ -0.0000010400000000, -0.0000089600000000, 0.0001904700000000 ] - [ -0.0000401900000000, 0.0000230200000000, -0.0000697500000000 ] - [ 0.0000431000000000, 0.0000252900000000, -0.0000675100000000 ] - [ 0.0000068500000000, 0.0000050200000000, 0.0001907400000000 ] - [ -0.0000095800000000, 0.0000053800000000, 0.0001927200000000 ] - [ -0.0000005100000000, -0.0000502100000000, -0.0000681200000000 ] - [ 0.0000987000000000, -0.0000572900000000, 0.0001120600000000 ] - [ -0.0000007000000000, -0.0001402800000000, 0.0001721700000000 ] - [ 0.0001208300000000, 0.0000704700000000, 0.0001726500000000 ] - [ -0.0000966500000000, -0.0000562800000000, 0.0001140800000000 ] - [ -0.0001231200000000, 0.0000709800000000, 0.0001739200000000 ] - [ 0.0000001600000000, 0.0001117500000000, 0.0001145400000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0068558900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006367500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006581500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003724000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011161600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0155538900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012882500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011103100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011778400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003065000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002404000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0398227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004820600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002775700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004619400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004841400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004300500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002413300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012684400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012746600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012489500000000 ] - [ -0.0001552700000000, 0.0000896500000000, -0.0003456800000000 ] - [ 0.0000000000000000, 0.0001606300000000, -0.0005849000000000 ] - [ 0.0001552700000000, 0.0000896500000000, -0.0003456800000000 ] - [ -0.0001391100000000, -0.0000803200000000, -0.0005849000000000 ] - [ 0.0001391100000000, -0.0000803200000000, -0.0005849000000000 ] - [ 0.0000000000000000, -0.0001792900000000, -0.0003456800000000 ] - [ -0.0000869800000000, 0.0000502200000000, -0.0005021500000000 ] - [ 0.0000000000000000, 0.0002096800000000, -0.0006740100000000 ] - [ 0.0000869800000000, 0.0000502200000000, -0.0005021500000000 ] - [ -0.0001815800000000, -0.0001048400000000, -0.0006740100000000 ] - [ 0.0001815800000000, -0.0001048400000000, -0.0006740100000000 ] - [ 0.0000000000000000, -0.0001004300000000, -0.0005021500000000 ] - [ -0.0001052900000000, 0.0000607900000000, -0.0007142800000000 ] - [ 0.0000000000000000, -0.0000976200000000, -0.0006483500000000 ] - [ 0.0001052900000000, 0.0000607900000000, -0.0007142800000000 ] - [ 0.0000845400000000, 0.0000488100000000, -0.0006483500000000 ] - [ 0.0000000000000000, -0.0001215800000000, -0.0007142800000000 ] - [ -0.0000845400000000, 0.0000488100000000, -0.0006483500000000 ] - [ 0.0000000000000000, -0.0013262000000000, 0.0102203700000000 ] - [ 0.0002039000000000, -0.0001177200000000, -0.0001994800000000 ] - [ -0.0002039000000000, -0.0001177200000000, -0.0001994800000000 ] - [ 0.0011485200000000, 0.0006631000000000, 0.0102203700000000 ] - [ -0.0011485200000000, 0.0006631000000000, 0.0102203700000000 ] - [ 0.0000000000000000, 0.0002354400000000, -0.0001994800000000 ] - [ -0.0008476200000000, 0.0004893700000000, 0.0076953400000000 ] - [ 0.0000000000000000, 0.0006356400000000, 0.0000494500000000 ] - [ -0.0005504800000000, -0.0003178200000000, 0.0000494500000000 ] - [ 0.0008476200000000, 0.0004893700000000, 0.0076953400000000 ] - [ 0.0005504800000000, -0.0003178200000000, 0.0000494500000000 ] - [ 0.0000000000000000, -0.0009787400000000, 0.0076953400000000 ] - [ -0.0001022800000000, 0.0000590500000000, -0.0003022500000000 ] - [ 0.0000000000000000, 0.0001642200000000, -0.0005904600000000 ] - [ 0.0001022800000000, 0.0000590500000000, -0.0003022500000000 ] - [ -0.0001422200000000, -0.0000821100000000, -0.0005904600000000 ] - [ 0.0001422200000000, -0.0000821100000000, -0.0005904600000000 ] - [ 0.0000000000000000, -0.0001181000000000, -0.0003022500000000 ] - [ -0.0000852000000000, 0.0000491900000000, -0.0005067900000000 ] - [ 0.0000000000000000, 0.0002074300000000, -0.0006698400000000 ] - [ 0.0000852000000000, 0.0000491900000000, -0.0005067900000000 ] - [ -0.0001796400000000, -0.0001037200000000, -0.0006698400000000 ] - [ 0.0001796400000000, -0.0001037200000000, -0.0006698400000000 ] - [ 0.0000000000000000, -0.0000983800000000, -0.0005067900000000 ] - [ -0.0001145100000000, 0.0000661100000000, -0.0007165900000000 ] - [ 0.0000000000000000, 0.0000278000000000, -0.0005775900000000 ] - [ 0.0001145100000000, 0.0000661100000000, -0.0007165900000000 ] - [ -0.0000240800000000, -0.0000139000000000, -0.0005775900000000 ] - [ 0.0000000000000000, -0.0001322300000000, -0.0007165900000000 ] - [ 0.0000240800000000, -0.0000139000000000, -0.0005775900000000 ] - [ 0.0000000000000000, 0.0000037400000000, -0.0003773700000000 ] - [ -0.0000075700000000, 0.0000043700000000, -0.0005422100000000 ] - [ 0.0000075700000000, 0.0000043700000000, -0.0005422100000000 ] - [ -0.0000032400000000, -0.0000018700000000, -0.0003773700000000 ] - [ 0.0000032400000000, -0.0000018700000000, -0.0003773700000000 ] - [ 0.0000000000000000, -0.0000087500000000, -0.0005422100000000 ] - [ 0.0001697400000000, -0.0000980000000000, -0.0003317300000000 ] - [ 0.0000000000000000, -0.0001410300000000, -0.0004072600000000 ] - [ 0.0001221400000000, 0.0000705200000000, -0.0004072600000000 ] - [ -0.0001697400000000, -0.0000980000000000, -0.0003317300000000 ] - [ -0.0001221400000000, 0.0000705200000000, -0.0004072600000000 ] - [ 0.0000000000000000, 0.0001960000000000, -0.0003317300000000 ] - [ -0.0001001300000000, 0.0000578100000000, -0.0003060200000000 ] - [ 0.0000000000000000, 0.0001764100000000, -0.0005848800000000 ] - [ 0.0001001300000000, 0.0000578100000000, -0.0003060200000000 ] - [ -0.0001527700000000, -0.0000882000000000, -0.0005848800000000 ] - [ 0.0001527700000000, -0.0000882000000000, -0.0005848800000000 ] - [ 0.0000000000000000, -0.0001156200000000, -0.0003060200000000 ] - [ -0.0000848400000000, 0.0000489800000000, -0.0005074600000000 ] - [ 0.0000000000000000, 0.0002111500000000, -0.0006755200000000 ] - [ 0.0000848400000000, 0.0000489800000000, -0.0005074600000000 ] - [ -0.0001828600000000, -0.0001055800000000, -0.0006755200000000 ] - [ 0.0001828600000000, -0.0001055800000000, -0.0006755200000000 ] - [ 0.0000000000000000, -0.0000979700000000, -0.0005074600000000 ] - [ -0.0001142700000000, 0.0000659700000000, -0.0007211100000000 ] - [ 0.0000000000000000, 0.0000268900000000, -0.0005774700000000 ] - [ 0.0001142700000000, 0.0000659700000000, -0.0007211100000000 ] - [ -0.0000232900000000, -0.0000134500000000, -0.0005774700000000 ] - [ 0.0000000000000000, -0.0001319500000000, -0.0007211100000000 ] - [ 0.0000232900000000, -0.0000134500000000, -0.0005774700000000 ] - [ 0.0000000000000000, 0.0000034600000000, -0.0003758400000000 ] - [ -0.0000059600000000, 0.0000034400000000, -0.0005464400000000 ] - [ 0.0000059600000000, 0.0000034400000000, -0.0005464400000000 ] - [ -0.0000029900000000, -0.0000017300000000, -0.0003758400000000 ] - [ 0.0000029900000000, -0.0000017300000000, -0.0003758400000000 ] - [ 0.0000000000000000, -0.0000068800000000, -0.0005464400000000 ] - [ 0.0001715800000000, -0.0000990600000000, -0.0003341700000000 ] - [ 0.0000000000000000, -0.0001415700000000, -0.0004055700000000 ] - [ 0.0001226000000000, 0.0000707900000000, -0.0004055700000000 ] - [ -0.0001715800000000, -0.0000990600000000, -0.0003341700000000 ] - [ -0.0001226000000000, 0.0000707900000000, -0.0004055700000000 ] - [ 0.0000000000000000, 0.0001981200000000, -0.0003341700000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003978700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006693000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006036300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006649900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004546500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006621600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009504500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054246300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0151847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012239700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010616500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010546800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012173900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011547700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004967200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007341300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0393314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004937000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007066600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015245400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002218100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005881800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005440200000000 ] - [ -0.0002115900000000, 0.0001221600000000, 0.0006388100000000 ] - [ 0.0000000000000000, -0.0000568300000000, 0.0004966300000000 ] - [ 0.0002115900000000, 0.0001221600000000, 0.0006388100000000 ] - [ 0.0000492200000000, 0.0000284200000000, 0.0004966300000000 ] - [ -0.0000492200000000, 0.0000284200000000, 0.0004966300000000 ] - [ 0.0000000000000000, -0.0002443200000000, 0.0006388100000000 ] - [ -0.0001770600000000, 0.0001022300000000, 0.0006075000000000 ] - [ 0.0000000000000000, 0.0000448000000000, 0.0002250300000000 ] - [ 0.0001770600000000, 0.0001022300000000, 0.0006075000000000 ] - [ -0.0000388000000000, -0.0000224000000000, 0.0002250300000000 ] - [ 0.0000388000000000, -0.0000224000000000, 0.0002250300000000 ] - [ 0.0000000000000000, -0.0002044500000000, 0.0006075000000000 ] - [ -0.0001149700000000, 0.0000663800000000, 0.0004393900000000 ] - [ 0.0000000000000000, 0.0002094600000000, 0.0004657400000000 ] - [ 0.0001149700000000, 0.0000663800000000, 0.0004393900000000 ] - [ -0.0001814000000000, -0.0001047300000000, 0.0004657400000000 ] - [ 0.0000000000000000, -0.0001327600000000, 0.0004393900000000 ] - [ 0.0001814000000000, -0.0001047300000000, 0.0004657400000000 ] - [ 0.0000000000000000, 0.0010875500000000, -0.0096843700000000 ] - [ -0.0002981300000000, 0.0001721300000000, 0.0000821600000000 ] - [ 0.0002981300000000, 0.0001721300000000, 0.0000821600000000 ] - [ -0.0009418400000000, -0.0005437700000000, -0.0096843700000000 ] - [ 0.0009418400000000, -0.0005437700000000, -0.0096843700000000 ] - [ 0.0000000000000000, -0.0003442500000000, 0.0000821600000000 ] - [ 0.0012208400000000, -0.0007048500000000, -0.0076138200000000 ] - [ 0.0000000000000000, -0.0009128700000000, 0.0002884200000000 ] - [ 0.0007905700000000, 0.0004564300000000, 0.0002884200000000 ] - [ -0.0012208400000000, -0.0007048500000000, -0.0076138200000000 ] - [ -0.0007905700000000, 0.0004564300000000, 0.0002884200000000 ] - [ 0.0000000000000000, 0.0014097000000000, -0.0076138200000000 ] - [ -0.0002692400000000, 0.0001554500000000, 0.0005995300000000 ] - [ 0.0000000000000000, -0.0000539200000000, 0.0004913800000000 ] - [ 0.0002692400000000, 0.0001554500000000, 0.0005995300000000 ] - [ 0.0000466900000000, 0.0000269600000000, 0.0004913800000000 ] - [ -0.0000466900000000, 0.0000269600000000, 0.0004913800000000 ] - [ 0.0000000000000000, -0.0003108900000000, 0.0005995300000000 ] - [ -0.0001749700000000, 0.0001010200000000, 0.0006030300000000 ] - [ 0.0000000000000000, 0.0000366200000000, 0.0002321300000000 ] - [ 0.0001749700000000, 0.0001010200000000, 0.0006030300000000 ] - [ -0.0000317100000000, -0.0000183100000000, 0.0002321300000000 ] - [ 0.0000317100000000, -0.0000183100000000, 0.0002321300000000 ] - [ 0.0000000000000000, -0.0002020400000000, 0.0006030300000000 ] - [ -0.0001022000000000, 0.0000590000000000, 0.0004457500000000 ] - [ 0.0000000000000000, 0.0000864600000000, 0.0004012200000000 ] - [ 0.0001022000000000, 0.0000590000000000, 0.0004457500000000 ] - [ -0.0000748800000000, -0.0000432300000000, 0.0004012200000000 ] - [ 0.0000000000000000, -0.0001180100000000, 0.0004457500000000 ] - [ 0.0000748800000000, -0.0000432300000000, 0.0004012200000000 ] - [ 0.0000000000000000, -0.0000219700000000, 0.0007628000000000 ] - [ -0.0000830300000000, 0.0000479300000000, 0.0004180700000000 ] - [ 0.0000830300000000, 0.0000479300000000, 0.0004180700000000 ] - [ 0.0000190200000000, 0.0000109800000000, 0.0007628000000000 ] - [ -0.0000190200000000, 0.0000109800000000, 0.0007628000000000 ] - [ 0.0000000000000000, -0.0000958700000000, 0.0004180700000000 ] - [ 0.0000200100000000, -0.0000115500000000, 0.0005696800000000 ] - [ 0.0000000000000000, -0.0001373100000000, 0.0007471100000000 ] - [ 0.0001189100000000, 0.0000686500000000, 0.0007471100000000 ] - [ -0.0000200100000000, -0.0000115500000000, 0.0005696800000000 ] - [ -0.0001189100000000, 0.0000686500000000, 0.0007471100000000 ] - [ 0.0000000000000000, 0.0000231100000000, 0.0005696800000000 ] - [ -0.0002676400000000, 0.0001545200000000, 0.0005963800000000 ] - [ 0.0000000000000000, -0.0000658300000000, 0.0004860400000000 ] - [ 0.0002676400000000, 0.0001545200000000, 0.0005963800000000 ] - [ 0.0000570100000000, 0.0000329100000000, 0.0004860400000000 ] - [ -0.0000570100000000, 0.0000329100000000, 0.0004860400000000 ] - [ 0.0000000000000000, -0.0003090400000000, 0.0005963800000000 ] - [ -0.0001765500000000, 0.0001019300000000, 0.0006045000000000 ] - [ 0.0000000000000000, 0.0000412000000000, 0.0002258700000000 ] - [ 0.0001765500000000, 0.0001019300000000, 0.0006045000000000 ] - [ -0.0000356800000000, -0.0000206000000000, 0.0002258700000000 ] - [ 0.0000356800000000, -0.0000206000000000, 0.0002258700000000 ] - [ 0.0000000000000000, -0.0002038600000000, 0.0006045000000000 ] - [ -0.0001033600000000, 0.0000596700000000, 0.0004426200000000 ] - [ 0.0000000000000000, 0.0000855400000000, 0.0004014600000000 ] - [ 0.0001033600000000, 0.0000596700000000, 0.0004426200000000 ] - [ -0.0000740800000000, -0.0000427700000000, 0.0004014600000000 ] - [ 0.0000000000000000, -0.0001193500000000, 0.0004426200000000 ] - [ 0.0000740800000000, -0.0000427700000000, 0.0004014600000000 ] - [ 0.0000000000000000, -0.0000225000000000, 0.0007642400000000 ] - [ -0.0000810300000000, 0.0000467800000000, 0.0004129400000000 ] - [ 0.0000810300000000, 0.0000467800000000, 0.0004129400000000 ] - [ 0.0000194900000000, 0.0000112500000000, 0.0007642400000000 ] - [ -0.0000194900000000, 0.0000112500000000, 0.0007642400000000 ] - [ 0.0000000000000000, -0.0000935700000000, 0.0004129400000000 ] - [ 0.0000226300000000, -0.0000130600000000, 0.0005664900000000 ] - [ 0.0000000000000000, -0.0001382400000000, 0.0007491800000000 ] - [ 0.0001197200000000, 0.0000691200000000, 0.0007491800000000 ] - [ -0.0000226300000000, -0.0000130600000000, 0.0005664900000000 ] - [ -0.0001197200000000, 0.0000691200000000, 0.0007491800000000 ] - [ 0.0000000000000000, 0.0000261300000000, 0.0005664900000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000900000000, -0.0000001500000000, 0.0001184200000000 ] - [ -0.0000006600000000, 0.0000000500000000, -0.0000746300000000 ] - [ -0.0000006500000000, -0.0000000300000000, -0.0001440100000000 ] - [ 0.0000506500000000, 0.0000000500000000, 0.0000679000000000 ] - [ 0.0037495200000000, -0.0000264100000000, 0.0001512900000000 ] - [ 0.0000000100000000, -0.0000000800000000, 0.0001221200000000 ] - [ -0.0000008200000000, 0.0000001100000000, -0.0000719700000000 ] - [ -0.0000006500000000, 0.0000000200000000, -0.0001474100000000 ] - [ -0.0000006900000000, 0.0000000200000000, 0.0000661200000000 ] - [ -0.0000004500000000, -0.0000001500000000, 0.0001400400000000 ] - [ -0.0008168600000000, 0.0000010700000000, 0.0001263200000000 ] - [ 0.0000472000000000, 0.0000001200000000, -0.0000709900000000 ] - [ -0.0000002100000000, -0.0000000900000000, -0.0001445200000000 ] - [ -0.0000004400000000, -0.0000000800000000, 0.0000669800000000 ] - [ -0.0000002100000000, -0.0000000700000000, 0.0001413700000000 ] - [ 0.0085678600000000, 0.0000602600000000, 0.0000896400000000 ] - [ -0.0000003700000000, -0.0000000400000000, -0.0000524200000000 ] - [ 0.0000005000000000, -0.0000002400000000, 0.0000142100000000 ] - [ -0.0000132700000000, -0.0000000200000000, 0.0000581600000000 ] - [ -0.0022800300000000, -0.0000032300000000, -0.0002304400000000 ] - [ -0.0000005900000000, -0.0000000200000000, 0.0001171600000000 ] - [ -0.0000000200000000, -0.0000002600000000, -0.0000586300000000 ] - [ -0.0000006400000000, -0.0000001000000000, 0.0000072500000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0000557400000000 ] - [ -0.0000002300000000, -0.0000001100000000, -0.0002202400000000 ] - [ -0.0000002100000000, -0.0000002600000000, 0.0001177500000000 ] - [ -0.0000119500000000, -0.0000001200000000, -0.0000520500000000 ] - [ -0.0000007700000000, -0.0000000200000000, 0.0000121400000000 ] - [ -0.0000001700000000, -0.0000001800000000, 0.0000603200000000 ] - [ -0.0000006000000000, 0.0000000300000000, -0.0002228500000000 ] - [ 0.0000002400000000, -0.0000004300000000, -0.0000091300000000 ] - [ -0.0000010300000000, 0.0000004100000000, -0.0002148600000000 ] - [ 0.0000006300000000, -0.0000015800000000, 0.0000529900000000 ] - [ -0.0002154000000000, -0.0000003300000000, -0.0002117900000000 ] - [ -0.0328379900000000, 0.0000014700000000, 0.0000328200000000 ] - [ 0.0000000800000000, -0.0000003400000000, -0.0000078000000000 ] - [ -0.0000010500000000, 0.0000002400000000, -0.0002162900000000 ] - [ 0.0000022500000000, -0.0000015500000000, 0.0000498200000000 ] - [ -0.0000002600000000, -0.0000001200000000, -0.0002129000000000 ] - [ -0.0000010800000000, 0.0000001900000000, -0.0000316200000000 ] - [ 0.0000200500000000, -0.0000005600000000, -0.0000060000000000 ] - [ -0.0000008900000000, 0.0000002700000000, -0.0002141600000000 ] - [ 0.0000025300000000, -0.0000017400000000, 0.0000514200000000 ] - [ -0.0000002500000000, -0.0000000200000000, -0.0002150600000000 ] - [ -0.0000011800000000, 0.0000002700000000, -0.0000305800000000 ] - [ -0.0000007200000000, -0.0000000400000000, 0.0004648100000000 ] - [ -0.0000001100000000, -0.0000003100000000, -0.0004672600000000 ] - [ 0.0000515100000000, -0.0000002100000000, 0.0003381800000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0006543100000000 ] - [ 0.0064077100000000, 0.0000127500000000, 0.0003518000000000 ] - [ -0.0000010200000000, 0.0000002500000000, 0.0004741800000000 ] - [ 0.0000006700000000, -0.0000006700000000, -0.0004539900000000 ] - [ -0.0000003400000000, -0.0000001900000000, 0.0003374600000000 ] - [ -0.0000009000000000, 0.0000003700000000, -0.0006667000000000 ] - [ -0.0000015500000000, 0.0000004000000000, 0.0003485300000000 ] - [ 0.0067041000000000, -0.0000130100000000, 0.0004755500000000 ] - [ -0.0004417200000000, 0.0000002100000000, -0.0004549000000000 ] - [ -0.0000005900000000, 0.0000001100000000, 0.0003437700000000 ] - [ -0.0000038800000000, 0.0000006600000000, -0.0006545200000000 ] - [ -0.0000007900000000, -0.0000000500000000, 0.0003532400000000 ] - [ 0.0017733500000000, 0.0006536100000000, 0.0007734300000000 ] - [ -0.0000014100000000, 0.0000525500000000, -0.0000396100000000 ] - [ 0.0018463500000000, -0.0006022900000000, -0.0006968000000000 ] - [ -0.0000464200000000, -0.0000257900000000, -0.0000404000000000 ] - [ 0.0000459900000000, -0.0000269600000000, -0.0000389700000000 ] - [ 0.0028985400000000, -0.0002291800000000, 0.0001665300000000 ] - [ -0.0001301300000000, 0.0000749400000000, 0.0000467200000000 ] - [ 0.0000000700000000, 0.0001270100000000, -0.0002329700000000 ] - [ 0.0001268600000000, 0.0000732900000000, 0.0000445800000000 ] - [ -0.0001101000000000, -0.0000637600000000, -0.0002337700000000 ] - [ 0.0001114300000000, -0.0000646100000000, -0.0002350300000000 ] - [ -0.0000002300000000, -0.0001469600000000, 0.0000455100000000 ] - [ -0.0001123600000000, 0.0000646500000000, -0.0001273700000000 ] - [ 0.0000000600000000, 0.0000576100000000, -0.0000789900000000 ] - [ 0.0001098800000000, 0.0000644300000000, -0.0001288500000000 ] - [ -0.0000500100000000, -0.0000290600000000, -0.0000800000000000 ] - [ -0.0000010600000000, -0.0001278700000000, -0.0001290200000000 ] - [ 0.0000457600000000, -0.0000264600000000, -0.0000756200000000 ] - [ 0.0000313200000000, -0.0000089600000000, 0.0001804800000000 ] - [ -0.0000366100000000, 0.0000169700000000, -0.0000774100000000 ] - [ 0.0000403200000000, 0.0000274900000000, -0.0000610500000000 ] - [ 0.0000216400000000, -0.0000051300000000, 0.0000602300000000 ] - [ 0.0000050400000000, 0.0000156000000000, 0.0003025600000000 ] - [ -0.0000072400000000, -0.0000463900000000, -0.0000686700000000 ] - [ 0.0003363600000000, -0.0007299600000000, -0.0008080000000000 ] - [ 0.0027910700000000, -0.0001329200000000, 0.0001656500000000 ] - [ 0.0013847300000000, -0.0008178600000000, -0.0011464000000000 ] - [ 0.0001440300000000, 0.0006144900000000, 0.0010246400000000 ] - [ 0.0008676100000000, 0.0011036000000000, 0.0017015000000000 ] - [ -0.0009241300000000, 0.0001113600000000, 0.0001085700000000 ] - [ -0.0001879200000000, 0.0001081600000000, 0.0001564400000000 ] - [ -0.0000013600000000, 0.0000555100000000, -0.0000443100000000 ] - [ 0.0001889400000000, 0.0001082600000000, 0.0001581300000000 ] - [ -0.0000489100000000, -0.0000273100000000, -0.0000451200000000 ] - [ 0.0000488000000000, -0.0000286200000000, -0.0000440300000000 ] - [ 0.0000004800000000, -0.0002180000000000, 0.0001582200000000 ] - [ -0.0001278600000000, 0.0000736300000000, 0.0000420500000000 ] - [ 0.0000000300000000, 0.0001253900000000, -0.0002300800000000 ] - [ 0.0001241700000000, 0.0000719900000000, 0.0000397100000000 ] - [ -0.0001087800000000, -0.0000630900000000, -0.0002308000000000 ] - [ 0.0001102100000000, -0.0000639200000000, -0.0002325200000000 ] - [ -0.0000004300000000, -0.0001439600000000, 0.0000405900000000 ] - [ -0.0001137300000000, 0.0000654400000000, -0.0001224000000000 ] - [ -0.0000003800000000, 0.0000574400000000, -0.0000763100000000 ] - [ 0.0001113700000000, 0.0000652700000000, -0.0001239800000000 ] - [ -0.0000502900000000, -0.0000289200000000, -0.0000761300000000 ] - [ -0.0000010500000000, -0.0001296300000000, -0.0001240400000000 ] - [ 0.0000452000000000, -0.0000263300000000, -0.0000741700000000 ] - [ -0.0000012500000000, -0.0000091300000000, 0.0001811000000000 ] - [ -0.0000372300000000, 0.0000211500000000, -0.0000687900000000 ] - [ 0.0000397300000000, 0.0000233500000000, -0.0000667400000000 ] - [ 0.0000068300000000, 0.0000050700000000, 0.0001813700000000 ] - [ -0.0000100700000000, 0.0000054900000000, 0.0001834400000000 ] - [ -0.0000006200000000, -0.0000464700000000, -0.0000672100000000 ] - [ 0.0000974000000000, -0.0000566400000000, 0.0001094000000000 ] - [ -0.0000007300000000, -0.0001415200000000, 0.0001724600000000 ] - [ 0.0001217600000000, 0.0000709700000000, 0.0001729000000000 ] - [ -0.0000956500000000, -0.0000556700000000, 0.0001115300000000 ] - [ -0.0001238000000000, 0.0000713000000000, 0.0001739100000000 ] - [ 0.0000000400000000, 0.0001103100000000, 0.0001120300000000 ] - [ -0.0001867200000000, 0.0001074600000000, 0.0001539000000000 ] - [ -0.0009267500000000, 0.0000569100000000, -0.0000430600000000 ] - [ 0.0001876700000000, 0.0001075900000000, 0.0001555600000000 ] - [ 0.0003499600000000, 0.0007393400000000, 0.0010242000000000 ] - [ 0.0004543000000000, -0.0007949200000000, -0.0011126800000000 ] - [ 0.0000004400000000, -0.0002166000000000, 0.0001556100000000 ] - [ -0.0001409900000000, 0.0001117100000000, 0.0001281100000000 ] - [ -0.0000037800000000, 0.0001281600000000, -0.0002344700000000 ] - [ 0.0001117100000000, 0.0000339400000000, -0.0000455700000000 ] - [ -0.0001103000000000, -0.0000617100000000, -0.0002303100000000 ] - [ 0.0001136900000000, -0.0000681800000000, -0.0002418400000000 ] - [ 0.0000527000000000, -0.0001443700000000, 0.0000408800000000 ] - [ -0.0001129200000000, 0.0000652300000000, -0.0001267600000000 ] - [ -0.0000004800000000, 0.0000566800000000, -0.0000767900000000 ] - [ 0.0001111500000000, 0.0000648500000000, -0.0001297500000000 ] - [ -0.0000496400000000, -0.0000284400000000, -0.0000765000000000 ] - [ -0.0000005900000000, -0.0001291400000000, -0.0001290600000000 ] - [ 0.0000444200000000, -0.0000259100000000, -0.0000745400000000 ] - [ -0.0000011500000000, -0.0000107800000000, 0.0001832000000000 ] - [ -0.0000340200000000, 0.0000192800000000, -0.0000748900000000 ] - [ 0.0000365000000000, 0.0000215300000000, -0.0000728500000000 ] - [ 0.0000082700000000, 0.0000058200000000, 0.0001834900000000 ] - [ -0.0000111900000000, 0.0000061400000000, 0.0001853600000000 ] - [ -0.0000006900000000, -0.0000428100000000, -0.0000733000000000 ] - [ 0.0000994800000000, -0.0000578300000000, 0.0001063500000000 ] - [ -0.0000008300000000, -0.0001420300000000, 0.0001742200000000 ] - [ 0.0001221400000000, 0.0000712800000000, 0.0001746200000000 ] - [ -0.0000978100000000, -0.0000569500000000, 0.0001084100000000 ] - [ -0.0001247100000000, 0.0000718000000000, 0.0001759800000000 ] - [ 0.0000000800000000, 0.0001127600000000, 0.0001089400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004534000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003654000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005871800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006560300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004123300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005878700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006569800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0161186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011721500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056554200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012839800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011693700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009371700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011091400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011743100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004590400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000611700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0379053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002733500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004580400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002802300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004600400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005078500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002763000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004612900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013070200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002405000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005917300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002264600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012394700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018284500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012749600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012441900000000 ] - [ -0.0015563200000000, 0.0008985400000000, 0.0080923400000000 ] - [ 0.0000000000000000, 0.0001603800000000, -0.0005777100000000 ] - [ 0.0015563200000000, 0.0008985400000000, 0.0080923400000000 ] - [ -0.0001389000000000, -0.0000801900000000, -0.0005777100000000 ] - [ 0.0001389000000000, -0.0000801900000000, -0.0005777100000000 ] - [ 0.0000000000000000, -0.0017970900000000, 0.0080923400000000 ] - [ -0.0000815100000000, 0.0000470600000000, -0.0005060800000000 ] - [ 0.0000000000000000, 0.0002067800000000, -0.0006764500000000 ] - [ 0.0000815100000000, 0.0000470600000000, -0.0005060800000000 ] - [ -0.0001790800000000, -0.0001033900000000, -0.0006764500000000 ] - [ 0.0001790800000000, -0.0001033900000000, -0.0006764500000000 ] - [ 0.0000000000000000, -0.0000941200000000, -0.0005060800000000 ] - [ -0.0001128200000000, 0.0000651400000000, -0.0007110600000000 ] - [ 0.0000000000000000, 0.0000260500000000, -0.0005689600000000 ] - [ 0.0001128200000000, 0.0000651400000000, -0.0007110600000000 ] - [ -0.0000225600000000, -0.0000130300000000, -0.0005689600000000 ] - [ 0.0000000000000000, -0.0001302800000000, -0.0007110600000000 ] - [ 0.0000225600000000, -0.0000130300000000, -0.0005689600000000 ] - [ 0.0000000000000000, -0.0000799800000000, -0.0004295600000000 ] - [ -0.0000027300000000, 0.0000015800000000, -0.0005411400000000 ] - [ 0.0000027300000000, 0.0000015800000000, -0.0005411400000000 ] - [ 0.0000692700000000, 0.0000399900000000, -0.0004295600000000 ] - [ -0.0000692700000000, 0.0000399900000000, -0.0004295600000000 ] - [ 0.0000000000000000, -0.0000031600000000, -0.0005411400000000 ] - [ 0.0004238100000000, -0.0002446900000000, -0.0000295700000000 ] - [ 0.0000000000000000, -0.0002925400000000, 0.0095285700000000 ] - [ 0.0002533500000000, 0.0001462700000000, 0.0095285700000000 ] - [ -0.0004238100000000, -0.0002446900000000, -0.0000295700000000 ] - [ -0.0002533500000000, 0.0001462700000000, 0.0095285700000000 ] - [ 0.0000000000000000, 0.0004893800000000, -0.0000295700000000 ] - [ -0.0001064600000000, 0.0000614700000000, -0.0002936300000000 ] - [ 0.0000000000000000, 0.0001628900000000, -0.0005827300000000 ] - [ 0.0001064600000000, 0.0000614700000000, -0.0002936300000000 ] - [ -0.0001410600000000, -0.0000814400000000, -0.0005827300000000 ] - [ 0.0001410600000000, -0.0000814400000000, -0.0005827300000000 ] - [ 0.0000000000000000, -0.0001229300000000, -0.0002936300000000 ] - [ -0.0000787000000000, 0.0000454400000000, -0.0005107200000000 ] - [ 0.0000000000000000, 0.0002036100000000, -0.0006723900000000 ] - [ 0.0000787000000000, 0.0000454400000000, -0.0005107200000000 ] - [ -0.0001763300000000, -0.0001018000000000, -0.0006723900000000 ] - [ 0.0001763300000000, -0.0001018000000000, -0.0006723900000000 ] - [ 0.0000000000000000, -0.0000908700000000, -0.0005107200000000 ] - [ -0.0001135400000000, 0.0000655500000000, -0.0007060100000000 ] - [ 0.0000000000000000, 0.0000266700000000, -0.0005653400000000 ] - [ 0.0001135400000000, 0.0000655500000000, -0.0007060100000000 ] - [ -0.0000231000000000, -0.0000133400000000, -0.0005653400000000 ] - [ 0.0000000000000000, -0.0001311000000000, -0.0007060100000000 ] - [ 0.0000231000000000, -0.0000133400000000, -0.0005653400000000 ] - [ 0.0000000000000000, 0.0000066100000000, -0.0003836500000000 ] - [ -0.0000070700000000, 0.0000040800000000, -0.0005424600000000 ] - [ 0.0000070700000000, 0.0000040800000000, -0.0005424600000000 ] - [ -0.0000057200000000, -0.0000033000000000, -0.0003836500000000 ] - [ 0.0000057200000000, -0.0000033000000000, -0.0003836500000000 ] - [ 0.0000000000000000, -0.0000081600000000, -0.0005424600000000 ] - [ 0.0001679600000000, -0.0000969700000000, -0.0003326200000000 ] - [ 0.0000000000000000, -0.0001400900000000, -0.0004042800000000 ] - [ 0.0001213200000000, 0.0000700500000000, -0.0004042800000000 ] - [ -0.0001679600000000, -0.0000969700000000, -0.0003326200000000 ] - [ -0.0001213200000000, 0.0000700500000000, -0.0004042800000000 ] - [ 0.0000000000000000, 0.0001939400000000, -0.0003326200000000 ] - [ -0.0001051300000000, 0.0000607000000000, -0.0002965600000000 ] - [ 0.0000000000000000, 0.0008986700000000, -0.0000601000000000 ] - [ 0.0001051300000000, 0.0000607000000000, -0.0002965600000000 ] - [ -0.0007782700000000, -0.0004493300000000, -0.0000601000000000 ] - [ 0.0007782700000000, -0.0004493300000000, -0.0000601000000000 ] - [ 0.0000000000000000, -0.0001213900000000, -0.0002965600000000 ] - [ -0.0001517600000000, 0.0000876200000000, -0.0005245500000000 ] - [ 0.0000000000000000, 0.0002100100000000, -0.0006744700000000 ] - [ 0.0001517600000000, 0.0000876200000000, -0.0005245500000000 ] - [ -0.0001818700000000, -0.0001050000000000, -0.0006744700000000 ] - [ 0.0001818700000000, -0.0001050000000000, -0.0006744700000000 ] - [ 0.0000000000000000, -0.0001752400000000, -0.0005245500000000 ] - [ -0.0001135200000000, 0.0000655400000000, -0.0007123200000000 ] - [ 0.0000000000000000, 0.0000257200000000, -0.0005663400000000 ] - [ 0.0001135200000000, 0.0000655400000000, -0.0007123200000000 ] - [ -0.0000222700000000, -0.0000128600000000, -0.0005663400000000 ] - [ 0.0000000000000000, -0.0001310800000000, -0.0007123200000000 ] - [ 0.0000222700000000, -0.0000128600000000, -0.0005663400000000 ] - [ 0.0000000000000000, 0.0000057500000000, -0.0003812700000000 ] - [ -0.0000049500000000, 0.0000028600000000, -0.0005473800000000 ] - [ 0.0000049500000000, 0.0000028600000000, -0.0005473800000000 ] - [ -0.0000049800000000, -0.0000028800000000, -0.0003812700000000 ] - [ 0.0000049800000000, -0.0000028800000000, -0.0003812700000000 ] - [ 0.0000000000000000, -0.0000057200000000, -0.0005473800000000 ] - [ 0.0001706000000000, -0.0000985000000000, -0.0003356000000000 ] - [ 0.0000000000000000, -0.0001410100000000, -0.0004023700000000 ] - [ 0.0001221200000000, 0.0000705100000000, -0.0004023700000000 ] - [ -0.0001706000000000, -0.0000985000000000, -0.0003356000000000 ] - [ -0.0001221200000000, 0.0000705100000000, -0.0004023700000000 ] - [ 0.0000000000000000, 0.0001969900000000, -0.0003356000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006035600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003782600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0070235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006646200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003776400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005543500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0164210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012219400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010526900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010470400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012291600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013719300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010450600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004961300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003507000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0377242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007077400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005192100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004189600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015593600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000303400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005781300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005381400000000 ] - [ 0.0013589100000000, -0.0007845700000000, -0.0079157400000000 ] - [ 0.0000000000000000, -0.0000482900000000, 0.0005057700000000 ] - [ -0.0013589100000000, -0.0007845700000000, -0.0079157400000000 ] - [ 0.0000418200000000, 0.0000241500000000, 0.0005057700000000 ] - [ -0.0000418200000000, 0.0000241500000000, 0.0005057700000000 ] - [ 0.0000000000000000, 0.0015691300000000, -0.0079157400000000 ] - [ -0.0001683100000000, 0.0000971800000000, 0.0005877300000000 ] - [ 0.0000000000000000, 0.0000248700000000, 0.0002198100000000 ] - [ 0.0001683100000000, 0.0000971800000000, 0.0005877300000000 ] - [ -0.0000215400000000, -0.0000124400000000, 0.0002198100000000 ] - [ 0.0000215400000000, -0.0000124400000000, 0.0002198100000000 ] - [ 0.0000000000000000, -0.0001943500000000, 0.0005877300000000 ] - [ -0.0000922400000000, 0.0000532600000000, 0.0004482900000000 ] - [ 0.0000000000000000, 0.0000850500000000, 0.0004208700000000 ] - [ 0.0000922400000000, 0.0000532600000000, 0.0004482900000000 ] - [ -0.0000736500000000, -0.0000425200000000, 0.0004208700000000 ] - [ 0.0000000000000000, -0.0001065100000000, 0.0004482900000000 ] - [ 0.0000736500000000, -0.0000425200000000, 0.0004208700000000 ] - [ 0.0000000000000000, 0.0000756400000000, 0.0007666900000000 ] - [ -0.0000910500000000, 0.0000525700000000, 0.0004088500000000 ] - [ 0.0000910500000000, 0.0000525700000000, 0.0004088500000000 ] - [ -0.0000655100000000, -0.0000378200000000, 0.0007666900000000 ] - [ 0.0000655100000000, -0.0000378200000000, 0.0007666900000000 ] - [ 0.0000000000000000, -0.0001051300000000, 0.0004088500000000 ] - [ -0.0002471200000000, 0.0001426800000000, 0.0002627900000000 ] - [ 0.0000000000000000, -0.0001749700000000, -0.0090303000000000 ] - [ 0.0001515300000000, 0.0000874800000000, -0.0090303000000000 ] - [ 0.0002471200000000, 0.0001426800000000, 0.0002627900000000 ] - [ -0.0001515300000000, 0.0000874800000000, -0.0090303000000000 ] - [ 0.0000000000000000, -0.0002853500000000, 0.0002627900000000 ] - [ -0.0002788900000000, 0.0001610200000000, 0.0006198700000000 ] - [ 0.0000000000000000, -0.0000445700000000, 0.0005019200000000 ] - [ 0.0002788900000000, 0.0001610200000000, 0.0006198700000000 ] - [ 0.0000386000000000, 0.0000222800000000, 0.0005019200000000 ] - [ -0.0000386000000000, 0.0000222800000000, 0.0005019200000000 ] - [ 0.0000000000000000, -0.0003220300000000, 0.0006198700000000 ] - [ -0.0001643600000000, 0.0000948900000000, 0.0005815800000000 ] - [ 0.0000000000000000, 0.0000242600000000, 0.0002180700000000 ] - [ 0.0001643600000000, 0.0000948900000000, 0.0005815800000000 ] - [ -0.0000210100000000, -0.0000121300000000, 0.0002180700000000 ] - [ 0.0000210100000000, -0.0000121300000000, 0.0002180700000000 ] - [ 0.0000000000000000, -0.0001897900000000, 0.0005815800000000 ] - [ -0.0000954700000000, 0.0000551200000000, 0.0004558800000000 ] - [ 0.0000000000000000, 0.0000842000000000, 0.0004245600000000 ] - [ 0.0000954700000000, 0.0000551200000000, 0.0004558800000000 ] - [ -0.0000729200000000, -0.0000421000000000, 0.0004245600000000 ] - [ 0.0000000000000000, -0.0001102400000000, 0.0004558800000000 ] - [ 0.0000729200000000, -0.0000421000000000, 0.0004245600000000 ] - [ 0.0000000000000000, -0.0000077800000000, 0.0007217100000000 ] - [ -0.0000868700000000, 0.0000501500000000, 0.0004132800000000 ] - [ 0.0000868700000000, 0.0000501500000000, 0.0004132800000000 ] - [ 0.0000067400000000, 0.0000038900000000, 0.0007217100000000 ] - [ -0.0000067400000000, 0.0000038900000000, 0.0007217100000000 ] - [ 0.0000000000000000, -0.0001003100000000, 0.0004132800000000 ] - [ 0.0000083500000000, -0.0000048200000000, 0.0005620500000000 ] - [ 0.0000000000000000, -0.0001253900000000, 0.0007374100000000 ] - [ 0.0001085900000000, 0.0000626900000000, 0.0007374100000000 ] - [ -0.0000083500000000, -0.0000048200000000, 0.0005620500000000 ] - [ -0.0001085900000000, 0.0000626900000000, 0.0007374100000000 ] - [ 0.0000000000000000, 0.0000096500000000, 0.0005620500000000 ] - [ -0.0002787400000000, 0.0001609300000000, 0.0006187500000000 ] - [ 0.0000000000000000, -0.0007758000000000, -0.0000282500000000 ] - [ 0.0002787400000000, 0.0001609300000000, 0.0006187500000000 ] - [ 0.0006718600000000, 0.0003879000000000, -0.0000282500000000 ] - [ -0.0006718600000000, 0.0003879000000000, -0.0000282500000000 ] - [ 0.0000000000000000, -0.0003218600000000, 0.0006187500000000 ] - [ -0.0000913200000000, 0.0000527300000000, 0.0005962600000000 ] - [ 0.0000000000000000, 0.0000216800000000, 0.0002127200000000 ] - [ 0.0000913200000000, 0.0000527300000000, 0.0005962600000000 ] - [ -0.0000187700000000, -0.0000108400000000, 0.0002127200000000 ] - [ 0.0000187700000000, -0.0000108400000000, 0.0002127200000000 ] - [ 0.0000000000000000, -0.0001054500000000, 0.0005962600000000 ] - [ -0.0000919500000000, 0.0000530900000000, 0.0004507200000000 ] - [ 0.0000000000000000, 0.0000831700000000, 0.0004246900000000 ] - [ 0.0000919500000000, 0.0000530900000000, 0.0004507200000000 ] - [ -0.0000720300000000, -0.0000415900000000, 0.0004246900000000 ] - [ 0.0000000000000000, -0.0001061700000000, 0.0004507200000000 ] - [ 0.0000720300000000, -0.0000415900000000, 0.0004246900000000 ] - [ 0.0000000000000000, -0.0000079200000000, 0.0007217900000000 ] - [ -0.0000847600000000, 0.0000489300000000, 0.0004074500000000 ] - [ 0.0000847600000000, 0.0000489300000000, 0.0004074500000000 ] - [ 0.0000068600000000, 0.0000039600000000, 0.0007217900000000 ] - [ -0.0000068600000000, 0.0000039600000000, 0.0007217900000000 ] - [ 0.0000000000000000, -0.0000978700000000, 0.0004074500000000 ] - [ 0.0000105400000000, -0.0000060900000000, 0.0005593100000000 ] - [ 0.0000000000000000, -0.0001258200000000, 0.0007390900000000 ] - [ 0.0001089600000000, 0.0000629100000000, 0.0007390900000000 ] - [ -0.0000105400000000, -0.0000060900000000, 0.0005593100000000 ] - [ -0.0001089600000000, 0.0000629100000000, 0.0007390900000000 ] - [ 0.0000000000000000, 0.0000121700000000, 0.0005593100000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0062233800000000, 0.0000413400000000, 0.0000919100000000 ] - [ -0.0019009300000000, 0.0000029400000000, -0.0000677400000000 ] - [ -0.0000069000000000, 0.0000000800000000, -0.0001461800000000 ] - [ -0.0000003800000000, 0.0000000800000000, 0.0000707500000000 ] - [ 0.0000001200000000, 0.0000000600000000, 0.0001372100000000 ] - [ 0.0000003300000000, -0.0000000300000000, 0.0001200200000000 ] - [ -0.0000001200000000, 0.0000001900000000, -0.0000712800000000 ] - [ -0.0000004400000000, 0.0000000800000000, -0.0001493700000000 ] - [ -0.0000085900000000, 0.0000001000000000, 0.0000690700000000 ] - [ -0.0022804800000000, -0.0000035600000000, 0.0001290500000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0001202500000000 ] - [ -0.0000005500000000, 0.0000002600000000, -0.0000704100000000 ] - [ -0.0000001000000000, -0.0000000300000000, -0.0001464100000000 ] - [ -0.0000001600000000, -0.0000000100000000, 0.0000698300000000 ] - [ -0.0000001400000000, 0.0000000000000000, 0.0001399900000000 ] - [ -0.0000000100000000, -0.0000001000000000, 0.0001156900000000 ] - [ 0.0002420800000000, -0.0000004600000000, -0.0000536000000000 ] - [ 0.0000026500000000, -0.0000001900000000, 0.0000125700000000 ] - [ -0.0000003900000000, 0.0000000600000000, 0.0000588300000000 ] - [ 0.0000001500000000, -0.0000001400000000, -0.0002205100000000 ] - [ 0.0140791500000000, -0.0000949000000000, 0.0001674200000000 ] - [ 0.0000001800000000, -0.0000001500000000, -0.0000587100000000 ] - [ -0.0000002700000000, -0.0000000600000000, 0.0000050400000000 ] - [ 0.0000019900000000, -0.0000001700000000, 0.0000565400000000 ] - [ 0.0002169600000000, 0.0000003300000000, -0.0002205000000000 ] - [ 0.0000001300000000, -0.0000001900000000, 0.0001174200000000 ] - [ -0.0000000800000000, -0.0000000100000000, -0.0000525400000000 ] - [ -0.0000003800000000, 0.0000000200000000, 0.0000096200000000 ] - [ 0.0000000300000000, -0.0000001300000000, 0.0000611900000000 ] - [ -0.0000002700000000, 0.0000000900000000, -0.0002233400000000 ] - [ -0.0003912900000000, 0.0000005300000000, -0.0000099400000000 ] - [ -0.0000043600000000, 0.0000004500000000, -0.0002154800000000 ] - [ 0.0000029700000000, -0.0000014900000000, 0.0000524600000000 ] - [ -0.0000000300000000, 0.0000001100000000, -0.0002136300000000 ] - [ -0.0000005400000000, 0.0000001800000000, -0.0000336900000000 ] - [ 0.0000004700000000, -0.0000002600000000, -0.0000078600000000 ] - [ -0.0000007300000000, 0.0000002600000000, -0.0002166900000000 ] - [ 0.0000029000000000, -0.0000014300000000, 0.0000493500000000 ] - [ 0.0000343400000000, -0.0000000400000000, -0.0002140800000000 ] - [ 0.0067048700000000, 0.0000152800000000, -0.0000330000000000 ] - [ 0.0000007400000000, -0.0000004000000000, -0.0000062000000000 ] - [ -0.0000007100000000, 0.0000003200000000, -0.0002144700000000 ] - [ 0.0000030300000000, -0.0000016300000000, 0.0000509100000000 ] - [ 0.0000001200000000, 0.0000000300000000, -0.0002162300000000 ] - [ -0.0000007700000000, 0.0000003100000000, -0.0000305200000000 ] - [ -0.1187571000000000, 0.0000270800000000, 0.0003985700000000 ] - [ 0.0133098600000000, -0.0000315600000000, -0.0004674400000000 ] - [ 0.0000008000000000, -0.0000002200000000, 0.0003419300000000 ] - [ 0.0000630900000000, -0.0000002000000000, -0.0006561900000000 ] - [ -0.0000002300000000, 0.0000001000000000, 0.0003518300000000 ] - [ -0.0000000500000000, 0.0000002700000000, 0.0004741100000000 ] - [ 0.0000004200000000, -0.0000005600000000, -0.0004567600000000 ] - [ -0.0000063900000000, -0.0000000900000000, 0.0003414200000000 ] - [ -0.0000005200000000, 0.0000003000000000, -0.0006687400000000 ] - [ -0.0007196500000000, -0.0000008000000000, 0.0003496100000000 ] - [ -0.0000005700000000, 0.0000005600000000, 0.0004745300000000 ] - [ 0.0000004300000000, -0.0000002900000000, -0.0004563000000000 ] - [ -0.0000000900000000, 0.0000001700000000, 0.0003482400000000 ] - [ -0.0000011800000000, 0.0000006200000000, -0.0006569300000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0003526500000000 ] - [ -0.0001844600000000, 0.0001064500000000, 0.0001485500000000 ] - [ 0.0016482400000000, -0.0000164800000000, 0.0000110300000000 ] - [ 0.0001865600000000, 0.0001066500000000, 0.0001505400000000 ] - [ 0.0165204200000000, 0.0085003000000000, 0.0125749100000000 ] - [ 0.0175761700000000, -0.0092879800000000, -0.0136506200000000 ] - [ 0.0000009500000000, -0.0002148000000000, 0.0001507000000000 ] - [ 0.0002007000000000, -0.0010610000000000, -0.0016428800000000 ] - [ 0.0000753500000000, 0.0001258300000000, -0.0002274600000000 ] - [ 0.0004529700000000, 0.0012119300000000, 0.0017372400000000 ] - [ -0.0001211300000000, -0.0001136900000000, -0.0003454800000000 ] - [ 0.0000978100000000, -0.0000135100000000, -0.0001116100000000 ] - [ -0.0016421600000000, -0.0001458300000000, 0.0000508400000000 ] - [ -0.0001137600000000, 0.0000613500000000, -0.0001500100000000 ] - [ 0.0000007800000000, 0.0000583600000000, -0.0000874700000000 ] - [ 0.0001077700000000, 0.0000673500000000, -0.0001181400000000 ] - [ -0.0000503900000000, -0.0000296300000000, -0.0000879600000000 ] - [ -0.0000078200000000, -0.0001273200000000, -0.0001351300000000 ] - [ 0.0000464000000000, -0.0000263600000000, -0.0000844100000000 ] - [ -0.0000008400000000, -0.0000090900000000, 0.0001871500000000 ] - [ -0.0000417300000000, 0.0000240400000000, -0.0000671900000000 ] - [ 0.0000449500000000, 0.0000262800000000, -0.0000647800000000 ] - [ 0.0000071600000000, 0.0000051200000000, 0.0001873100000000 ] - [ -0.0000098300000000, 0.0000056700000000, 0.0001896000000000 ] - [ -0.0000003300000000, -0.0000520700000000, -0.0000655500000000 ] - [ 0.0000992400000000, -0.0000574200000000, 0.0001116200000000 ] - [ -0.0000004900000000, -0.0001406100000000, 0.0001736000000000 ] - [ 0.0001213200000000, 0.0000706700000000, 0.0001740200000000 ] - [ -0.0000966700000000, -0.0000564500000000, 0.0001136100000000 ] - [ -0.0001231300000000, 0.0000711600000000, 0.0001753300000000 ] - [ 0.0000004300000000, 0.0001121400000000, 0.0001141100000000 ] - [ 0.0227495400000000, -0.0114060300000000, -0.0157840200000000 ] - [ -0.0000008800000000, 0.0000547000000000, -0.0000466100000000 ] - [ 0.0240932900000000, 0.0123877100000000, 0.0171659800000000 ] - [ -0.0000477800000000, -0.0000267900000000, -0.0000474500000000 ] - [ 0.0000484700000000, -0.0000279800000000, -0.0000463200000000 ] - [ 0.0028211000000000, -0.0001368200000000, 0.0000940300000000 ] - [ -0.0001307400000000, 0.0000754600000000, 0.0000465700000000 ] - [ 0.0000015000000000, 0.0001231200000000, -0.0002231400000000 ] - [ 0.0001277400000000, 0.0000739600000000, 0.0000441500000000 ] - [ -0.0001058500000000, -0.0000628800000000, -0.0002239800000000 ] - [ 0.0001089200000000, -0.0000629500000000, -0.0002253600000000 ] - [ -0.0000002000000000, -0.0001477700000000, 0.0000450700000000 ] - [ -0.0001113900000000, 0.0000643300000000, -0.0001293000000000 ] - [ -0.0000000900000000, 0.0000583500000000, -0.0000844900000000 ] - [ 0.0001101100000000, 0.0000643800000000, -0.0001305500000000 ] - [ -0.0000505700000000, -0.0000292000000000, -0.0000841000000000 ] - [ -0.0000007200000000, -0.0001274000000000, -0.0001309800000000 ] - [ 0.0000461600000000, -0.0000266700000000, -0.0000824200000000 ] - [ -0.0000071200000000, -0.0000086900000000, 0.0001878900000000 ] - [ -0.0000421500000000, 0.0000248200000000, -0.0000644000000000 ] - [ 0.0000453200000000, 0.0000259300000000, -0.0000643700000000 ] - [ 0.0000053400000000, 0.0000077100000000, 0.0002036200000000 ] - [ -0.0000110000000000, 0.0000027500000000, 0.0001749600000000 ] - [ 0.0000006400000000, -0.0000526400000000, -0.0000638400000000 ] - [ 0.0000810500000000, 0.0000079300000000, 0.0002611700000000 ] - [ -0.0015010800000000, -0.0001410700000000, 0.0001669500000000 ] - [ 0.0002205800000000, 0.0009910200000000, 0.0016538600000000 ] - [ -0.0001114700000000, -0.0001194600000000, -0.0000309800000000 ] - [ -0.0000322700000000, -0.0008509400000000, -0.0013129500000000 ] - [ 0.0000951300000000, 0.0001098500000000, 0.0001171200000000 ] - [ -0.0001847100000000, 0.0001065700000000, 0.0001479200000000 ] - [ -0.0000009500000000, 0.0000547000000000, -0.0000464700000000 ] - [ 0.0001863600000000, 0.0001066300000000, 0.0001495100000000 ] - [ -0.0000478400000000, -0.0000267500000000, -0.0000473300000000 ] - [ 0.0000484900000000, -0.0000280100000000, -0.0000460700000000 ] - [ 0.0000008300000000, -0.0002145900000000, 0.0001496400000000 ] - [ -0.0001305300000000, 0.0000753400000000, 0.0000462600000000 ] - [ 0.0000003400000000, 0.0001258300000000, -0.0002278800000000 ] - [ 0.0001279900000000, 0.0000740200000000, 0.0000441200000000 ] - [ -0.0001087200000000, -0.0000632300000000, -0.0002287000000000 ] - [ 0.0001109400000000, -0.0000641300000000, -0.0002301700000000 ] - [ -0.0000001400000000, -0.0001479500000000, 0.0000450600000000 ] - [ -0.0001098500000000, 0.0000634400000000, -0.0001346000000000 ] - [ -0.0000000900000000, 0.0000575000000000, -0.0000843100000000 ] - [ 0.0001089500000000, 0.0000636000000000, -0.0001356100000000 ] - [ -0.0000498000000000, -0.0000287100000000, -0.0000840400000000 ] - [ -0.0000006100000000, -0.0001259900000000, -0.0001360300000000 ] - [ 0.0000454100000000, -0.0000262000000000, -0.0000819800000000 ] - [ -0.0000008000000000, -0.0000097500000000, 0.0001897700000000 ] - [ -0.0000396700000000, 0.0000228900000000, -0.0000707300000000 ] - [ 0.0000430600000000, 0.0000251500000000, -0.0000685300000000 ] - [ 0.0000078000000000, 0.0000054400000000, 0.0001899700000000 ] - [ -0.0000101400000000, 0.0000058600000000, 0.0001921000000000 ] - [ -0.0000002500000000, -0.0000498500000000, -0.0000691400000000 ] - [ 0.0000995200000000, -0.0000575600000000, 0.0001111100000000 ] - [ -0.0000003900000000, -0.0001405700000000, 0.0001721400000000 ] - [ 0.0001213400000000, 0.0000705900000000, 0.0001725600000000 ] - [ -0.0000969300000000, -0.0000565900000000, 0.0001131000000000 ] - [ -0.0001231100000000, 0.0000711600000000, 0.0001738600000000 ] - [ 0.0000004500000000, 0.0001124300000000, 0.0001136300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0110981200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010129200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010694700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010455100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010215200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010457700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018767300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0270713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017093100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022212400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020366800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020737800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018738500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006637600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007896800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006652900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007462400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008710300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008560200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1309221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013482700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019635500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020098100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011375700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019648900000000 ] - [ -0.0000392200000000, 0.0000226400000000, -0.0006486500000000 ] - [ 0.0000000000000000, -0.0182312200000000, 0.0251615500000000 ] - [ 0.0000392200000000, 0.0000226400000000, -0.0006486500000000 ] - [ 0.0157887000000000, 0.0091156100000000, 0.0251615500000000 ] - [ -0.0157887000000000, 0.0091156100000000, 0.0251615500000000 ] - [ 0.0000000000000000, -0.0000452900000000, -0.0006486500000000 ] - [ 0.0001754600000000, -0.0001013000000000, -0.0002876200000000 ] - [ 0.0000000000000000, 0.0001604700000000, -0.0011033400000000 ] - [ -0.0001754600000000, -0.0001013000000000, -0.0002876200000000 ] - [ -0.0001389700000000, -0.0000802300000000, -0.0011033400000000 ] - [ 0.0001389700000000, -0.0000802300000000, -0.0011033400000000 ] - [ 0.0000000000000000, 0.0002026000000000, -0.0002876200000000 ] - [ -0.0001058500000000, 0.0000611100000000, -0.0011636900000000 ] - [ 0.0000000000000000, 0.0000030500000000, -0.0009562700000000 ] - [ 0.0001058500000000, 0.0000611100000000, -0.0011636900000000 ] - [ -0.0000026400000000, -0.0000015200000000, -0.0009562700000000 ] - [ 0.0000000000000000, -0.0001222200000000, -0.0011636900000000 ] - [ 0.0000026400000000, -0.0000015200000000, -0.0009562700000000 ] - [ 0.0000000000000000, 0.0000191900000000, -0.0008501900000000 ] - [ 0.0000218000000000, -0.0000125800000000, -0.0009292400000000 ] - [ -0.0000218000000000, -0.0000125800000000, -0.0009292400000000 ] - [ -0.0000166200000000, -0.0000095900000000, -0.0008501900000000 ] - [ 0.0000166200000000, -0.0000095900000000, -0.0008501900000000 ] - [ 0.0000000000000000, 0.0000251700000000, -0.0009292400000000 ] - [ 0.0002262800000000, -0.0001306400000000, -0.0006975700000000 ] - [ 0.0000000000000000, -0.0001386900000000, -0.0008652600000000 ] - [ 0.0001201100000000, 0.0000693500000000, -0.0008652600000000 ] - [ -0.0002262800000000, -0.0001306400000000, -0.0006975700000000 ] - [ -0.0001201100000000, 0.0000693500000000, -0.0008652600000000 ] - [ 0.0000000000000000, 0.0002612900000000, -0.0006975700000000 ] - [ -0.0207545100000000, 0.0119826200000000, 0.0270198100000000 ] - [ 0.0000000000000000, 0.0002537900000000, -0.0010162300000000 ] - [ 0.0207545100000000, 0.0119826200000000, 0.0270198100000000 ] - [ -0.0002197900000000, -0.0001268900000000, -0.0010162300000000 ] - [ 0.0002197900000000, -0.0001268900000000, -0.0010162300000000 ] - [ 0.0000000000000000, -0.0239652500000000, 0.0270198100000000 ] - [ -0.0000461500000000, 0.0000266500000000, -0.0009604900000000 ] - [ 0.0000000000000000, 0.0002733700000000, -0.0010426200000000 ] - [ 0.0000461500000000, 0.0000266500000000, -0.0009604900000000 ] - [ -0.0002367500000000, -0.0001366900000000, -0.0010426200000000 ] - [ 0.0002367500000000, -0.0001366900000000, -0.0010426200000000 ] - [ 0.0000000000000000, -0.0000532900000000, -0.0009604900000000 ] - [ -0.0001226500000000, 0.0000708100000000, -0.0011656400000000 ] - [ 0.0000000000000000, 0.0000038100000000, -0.0009534300000000 ] - [ 0.0001226500000000, 0.0000708100000000, -0.0011656400000000 ] - [ -0.0000033000000000, -0.0000019000000000, -0.0009534300000000 ] - [ 0.0000000000000000, -0.0001416300000000, -0.0011656400000000 ] - [ 0.0000033000000000, -0.0000019000000000, -0.0009534300000000 ] - [ 0.0000000000000000, 0.0000364700000000, -0.0008399900000000 ] - [ 0.0000208700000000, -0.0000120500000000, -0.0009277500000000 ] - [ -0.0000208700000000, -0.0000120500000000, -0.0009277500000000 ] - [ -0.0000315800000000, -0.0000182300000000, -0.0008399900000000 ] - [ 0.0000315800000000, -0.0000182300000000, -0.0008399900000000 ] - [ 0.0000000000000000, 0.0000241000000000, -0.0009277500000000 ] - [ 0.0000624300000000, -0.0000360400000000, -0.0007456600000000 ] - [ 0.0000000000000000, 0.0009809800000000, 0.0002932700000000 ] - [ -0.0008495600000000, -0.0004904900000000, 0.0002932700000000 ] - [ -0.0000624300000000, -0.0000360400000000, -0.0007456600000000 ] - [ 0.0008495600000000, -0.0004904900000000, 0.0002932700000000 ] - [ 0.0000000000000000, 0.0000720800000000, -0.0007456600000000 ] - [ -0.0000376600000000, 0.0000217400000000, -0.0006498000000000 ] - [ 0.0000000000000000, 0.0002572600000000, -0.0010176200000000 ] - [ 0.0000376600000000, 0.0000217400000000, -0.0006498000000000 ] - [ -0.0002227900000000, -0.0001286300000000, -0.0010176200000000 ] - [ 0.0002227900000000, -0.0001286300000000, -0.0010176200000000 ] - [ 0.0000000000000000, -0.0000434800000000, -0.0006498000000000 ] - [ -0.0000476200000000, 0.0000274900000000, -0.0009589400000000 ] - [ 0.0000000000000000, 0.0002760500000000, -0.0010462500000000 ] - [ 0.0000476200000000, 0.0000274900000000, -0.0009589400000000 ] - [ -0.0002390700000000, -0.0001380300000000, -0.0010462500000000 ] - [ 0.0002390700000000, -0.0001380300000000, -0.0010462500000000 ] - [ 0.0000000000000000, -0.0000549800000000, -0.0009589400000000 ] - [ -0.0001209300000000, 0.0000698200000000, -0.0011710700000000 ] - [ 0.0000000000000000, 0.0000028700000000, -0.0009540200000000 ] - [ 0.0001209300000000, 0.0000698200000000, -0.0011710700000000 ] - [ -0.0000024800000000, -0.0000014300000000, -0.0009540200000000 ] - [ 0.0000000000000000, -0.0001396400000000, -0.0011710700000000 ] - [ 0.0000024800000000, -0.0000014300000000, -0.0009540200000000 ] - [ 0.0000000000000000, 0.0000185100000000, -0.0008467100000000 ] - [ 0.0000239200000000, -0.0000138100000000, -0.0009330600000000 ] - [ -0.0000239200000000, -0.0000138100000000, -0.0009330600000000 ] - [ -0.0000160300000000, -0.0000092500000000, -0.0008467100000000 ] - [ 0.0000160300000000, -0.0000092500000000, -0.0008467100000000 ] - [ 0.0000000000000000, 0.0000276200000000, -0.0009330600000000 ] - [ 0.0002277800000000, -0.0001315100000000, -0.0006985700000000 ] - [ 0.0000000000000000, -0.0001396600000000, -0.0008660700000000 ] - [ 0.0001209500000000, 0.0000698300000000, -0.0008660700000000 ] - [ -0.0002277800000000, -0.0001315100000000, -0.0006985700000000 ] - [ -0.0001209500000000, 0.0000698300000000, -0.0008660700000000 ] - [ 0.0000000000000000, 0.0002630200000000, -0.0006985700000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0114066400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007955300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010302700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010291800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007928500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019604800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020791900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023092700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0271390500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021646800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019481000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021583500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020822700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019442300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006832300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011003600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008851300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008834600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011027100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011031600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009181300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1316899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023504900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022936000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004502400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011281600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013144200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012573700000000 ] - [ -0.0003408700000000, 0.0001968000000000, 0.0009742600000000 ] - [ 0.0000000000000000, 0.0191566200000000, -0.0254944400000000 ] - [ 0.0003408700000000, 0.0001968000000000, 0.0009742600000000 ] - [ -0.0165901200000000, -0.0095783100000000, -0.0254944400000000 ] - [ 0.0165901200000000, -0.0095783100000000, -0.0254944400000000 ] - [ 0.0000000000000000, -0.0003936000000000, 0.0009742600000000 ] - [ -0.0004200000000000, 0.0002424900000000, 0.0003486500000000 ] - [ 0.0000000000000000, 0.0000779900000000, 0.0006363000000000 ] - [ 0.0004200000000000, 0.0002424900000000, 0.0003486500000000 ] - [ -0.0000675400000000, -0.0000390000000000, 0.0006363000000000 ] - [ 0.0000675400000000, -0.0000390000000000, 0.0006363000000000 ] - [ 0.0000000000000000, -0.0004849800000000, 0.0003486500000000 ] - [ -0.0001094800000000, 0.0000632100000000, 0.0009065700000000 ] - [ 0.0000000000000000, 0.0001086900000000, 0.0008015700000000 ] - [ 0.0001094800000000, 0.0000632100000000, 0.0009065700000000 ] - [ -0.0000941300000000, -0.0000543400000000, 0.0008015700000000 ] - [ 0.0000000000000000, -0.0001264100000000, 0.0009065700000000 ] - [ 0.0000941300000000, -0.0000543400000000, 0.0008015700000000 ] - [ 0.0000000000000000, -0.0000280300000000, 0.0012014800000000 ] - [ -0.0001124000000000, 0.0000648900000000, 0.0007976300000000 ] - [ 0.0001124000000000, 0.0000648900000000, 0.0007976300000000 ] - [ 0.0000242800000000, 0.0000140200000000, 0.0012014800000000 ] - [ -0.0000242800000000, 0.0000140200000000, 0.0012014800000000 ] - [ 0.0000000000000000, -0.0001297900000000, 0.0007976300000000 ] - [ -0.0000394500000000, 0.0000227800000000, 0.0009187900000000 ] - [ 0.0000000000000000, -0.0001347600000000, 0.0012107900000000 ] - [ 0.0001167100000000, 0.0000673800000000, 0.0012107900000000 ] - [ 0.0000394500000000, 0.0000227800000000, 0.0009187900000000 ] - [ -0.0001167100000000, 0.0000673800000000, 0.0012107900000000 ] - [ 0.0000000000000000, -0.0000455600000000, 0.0009187900000000 ] - [ 0.0195302700000000, -0.0112758100000000, -0.0263346700000000 ] - [ 0.0000000000000000, -0.0001386000000000, 0.0009301700000000 ] - [ -0.0195302700000000, -0.0112758100000000, -0.0263346700000000 ] - [ 0.0001200300000000, 0.0000693000000000, 0.0009301700000000 ] - [ -0.0001200300000000, 0.0000693000000000, 0.0009301700000000 ] - [ 0.0000000000000000, 0.0225516100000000, -0.0263346700000000 ] - [ -0.0002033300000000, 0.0001173900000000, 0.0010291700000000 ] - [ 0.0000000000000000, -0.0000371700000000, 0.0005795200000000 ] - [ 0.0002033300000000, 0.0001173900000000, 0.0010291700000000 ] - [ 0.0000321900000000, 0.0000185800000000, 0.0005795200000000 ] - [ -0.0000321900000000, 0.0000185800000000, 0.0005795200000000 ] - [ 0.0000000000000000, -0.0002347900000000, 0.0010291700000000 ] - [ -0.0000959500000000, 0.0000554000000000, 0.0009196600000000 ] - [ 0.0000000000000000, 0.0001076200000000, 0.0008050600000000 ] - [ 0.0000959500000000, 0.0000554000000000, 0.0009196600000000 ] - [ -0.0000932000000000, -0.0000538100000000, 0.0008050600000000 ] - [ 0.0000000000000000, -0.0001107900000000, 0.0009196600000000 ] - [ 0.0000932000000000, -0.0000538100000000, 0.0008050600000000 ] - [ 0.0000000000000000, -0.0000444700000000, 0.0011921800000000 ] - [ -0.0001120300000000, 0.0000646800000000, 0.0007992400000000 ] - [ 0.0001120300000000, 0.0000646800000000, 0.0007992400000000 ] - [ 0.0000385100000000, 0.0000222300000000, 0.0011921800000000 ] - [ -0.0000385100000000, 0.0000222300000000, 0.0011921800000000 ] - [ 0.0000000000000000, -0.0001293700000000, 0.0007992400000000 ] - [ 0.0001185100000000, -0.0000684200000000, 0.0009707500000000 ] - [ 0.0000000000000000, -0.0012522700000000, 0.0000599600000000 ] - [ 0.0010845000000000, 0.0006261400000000, 0.0000599600000000 ] - [ -0.0001185100000000, -0.0000684200000000, 0.0009707500000000 ] - [ -0.0010845000000000, 0.0006261400000000, 0.0000599600000000 ] - [ 0.0000000000000000, 0.0001368400000000, 0.0009707500000000 ] - [ -0.0003400400000000, 0.0001963200000000, 0.0009727800000000 ] - [ 0.0000000000000000, -0.0001381400000000, 0.0009298000000000 ] - [ 0.0003400400000000, 0.0001963200000000, 0.0009727800000000 ] - [ 0.0001196300000000, 0.0000690700000000, 0.0009298000000000 ] - [ -0.0001196300000000, 0.0000690700000000, 0.0009298000000000 ] - [ 0.0000000000000000, -0.0003926400000000, 0.0009727800000000 ] - [ -0.0002047100000000, 0.0001181900000000, 0.0010306100000000 ] - [ 0.0000000000000000, -0.0000354500000000, 0.0005762500000000 ] - [ 0.0002047100000000, 0.0001181900000000, 0.0010306100000000 ] - [ 0.0000307000000000, 0.0000177200000000, 0.0005762500000000 ] - [ -0.0000307000000000, 0.0000177200000000, 0.0005762500000000 ] - [ 0.0000000000000000, -0.0002363800000000, 0.0010306100000000 ] - [ -0.0000943300000000, 0.0000544600000000, 0.0009137900000000 ] - [ 0.0000000000000000, 0.0001070200000000, 0.0008050000000000 ] - [ 0.0000943300000000, 0.0000544600000000, 0.0009137900000000 ] - [ -0.0000926800000000, -0.0000535100000000, 0.0008050000000000 ] - [ 0.0000000000000000, -0.0001089300000000, 0.0009137900000000 ] - [ 0.0000926800000000, -0.0000535100000000, 0.0008050000000000 ] - [ 0.0000000000000000, -0.0000287500000000, 0.0012041700000000 ] - [ -0.0001105700000000, 0.0000638400000000, 0.0007940800000000 ] - [ 0.0001105700000000, 0.0000638400000000, 0.0007940800000000 ] - [ 0.0000249000000000, 0.0000143700000000, 0.0012041700000000 ] - [ -0.0000249000000000, 0.0000143700000000, 0.0012041700000000 ] - [ 0.0000000000000000, -0.0001276800000000, 0.0007940800000000 ] - [ -0.0000388900000000, 0.0000224500000000, 0.0009183600000000 ] - [ 0.0000000000000000, -0.0001350700000000, 0.0012094300000000 ] - [ 0.0001169800000000, 0.0000675400000000, 0.0012094300000000 ] - [ 0.0000388900000000, 0.0000224500000000, 0.0009183600000000 ] - [ -0.0001169800000000, 0.0000675400000000, 0.0012094300000000 ] - [ 0.0000000000000000, -0.0000449100000000, 0.0009183600000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0080887200000000, -0.0000533800000000, 0.0001378500000000 ] - [ 0.0070777600000000, 0.0000507800000000, -0.0001034000000000 ] - [ 0.0000803100000000, -0.0000001700000000, -0.0001456700000000 ] - [ -0.0000001700000000, 0.0000000800000000, 0.0000702700000000 ] - [ -0.0000002000000000, 0.0000000400000000, 0.0001377900000000 ] - [ 0.0000003900000000, -0.0000000300000000, 0.0001203300000000 ] - [ -0.0000002000000000, 0.0000001800000000, -0.0000713500000000 ] - [ -0.0000002300000000, 0.0000000700000000, -0.0001487500000000 ] - [ 0.0000002300000000, 0.0000001100000000, 0.0000686200000000 ] - [ 0.0001036300000000, 0.0000001700000000, 0.0001394000000000 ] - [ 0.0000005700000000, -0.0000001300000000, 0.0001205900000000 ] - [ -0.0000004000000000, 0.0000002400000000, -0.0000704100000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0001458400000000 ] - [ -0.0000000900000000, -0.0000000200000000, 0.0000694100000000 ] - [ -0.0000000300000000, 0.0000000100000000, 0.0001405400000000 ] - [ 0.0000000300000000, -0.0000001200000000, 0.0001160300000000 ] - [ -0.0057562600000000, 0.0000067600000000, -0.0000316000000000 ] - [ -0.0000410800000000, -0.0000001100000000, 0.0000134300000000 ] - [ 0.0000022600000000, 0.0000000300000000, 0.0000600800000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0002187500000000 ] - [ -0.0040952200000000, -0.0000068600000000, 0.0001073100000000 ] - [ 0.0000002400000000, -0.0000001500000000, -0.0000594200000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0000060500000000 ] - [ 0.0000000200000000, -0.0000002000000000, 0.0000577100000000 ] - [ -0.0000293200000000, -0.0000001300000000, -0.0002191100000000 ] - [ 0.0000002600000000, -0.0000001900000000, 0.0001177500000000 ] - [ 0.0000002200000000, -0.0000000300000000, -0.0000531200000000 ] - [ -0.0000002100000000, 0.0000000300000000, 0.0000108100000000 ] - [ 0.0000000800000000, -0.0000001500000000, 0.0000623500000000 ] - [ -0.0000000600000000, 0.0000000800000000, -0.0002217500000000 ] - [ 0.0070734100000000, -0.0000151700000000, -0.0000094400000000 ] - [ 0.0000541200000000, 0.0000003500000000, -0.0002155600000000 ] - [ -0.0000006200000000, -0.0000014900000000, 0.0000535800000000 ] - [ -0.0000000300000000, 0.0000001000000000, -0.0002123400000000 ] - [ -0.0000004700000000, 0.0000001900000000, -0.0000331700000000 ] - [ 0.0000005400000000, -0.0000002500000000, -0.0000071700000000 ] - [ -0.0000005600000000, 0.0000002700000000, -0.0002169000000000 ] - [ 0.0000027100000000, -0.0000014600000000, 0.0000504100000000 ] - [ -0.0000034900000000, -0.0000000900000000, -0.0002126500000000 ] - [ -0.0004421500000000, -0.0000007100000000, -0.0000303100000000 ] - [ 0.0000008100000000, -0.0000003900000000, -0.0000054700000000 ] - [ -0.0000006200000000, 0.0000003100000000, -0.0002145900000000 ] - [ 0.0000030800000000, -0.0000016400000000, 0.0000520800000000 ] - [ 0.0000002000000000, 0.0000000400000000, -0.0002150000000000 ] - [ -0.0000007300000000, 0.0000003300000000, -0.0000300400000000 ] - [ 0.0133097100000000, 0.0000350900000000, 0.0004701800000000 ] - [ -0.1073882100000000, 0.0004874200000000, -0.0000258200000000 ] - [ 0.0000019300000000, -0.0000001900000000, 0.0003436800000000 ] - [ -0.0007903800000000, 0.0000019100000000, -0.0006593900000000 ] - [ -0.0000002900000000, 0.0000000900000000, 0.0003515900000000 ] - [ -0.0000003700000000, 0.0000003200000000, 0.0004756100000000 ] - [ 0.0000013700000000, -0.0000005900000000, -0.0004555200000000 ] - [ 0.0000014800000000, -0.0000000900000000, 0.0003429100000000 ] - [ -0.0000004700000000, 0.0000003300000000, -0.0006692600000000 ] - [ 0.0001015300000000, 0.0000007400000000, 0.0003474200000000 ] - [ -0.0000013900000000, 0.0000006000000000, 0.0004759800000000 ] - [ 0.0000009400000000, -0.0000003100000000, -0.0004552800000000 ] - [ -0.0000006100000000, 0.0000002000000000, 0.0003497600000000 ] - [ -0.0000006900000000, 0.0000006500000000, -0.0006573700000000 ] - [ -0.0000003100000000, 0.0000000200000000, 0.0003522700000000 ] - [ -0.0001842100000000, 0.0001063100000000, 0.0001462000000000 ] - [ 0.0024335400000000, 0.0000895400000000, -0.0000697200000000 ] - [ 0.0001864600000000, 0.0001065300000000, 0.0001482100000000 ] - [ 0.0109717000000000, 0.0049937300000000, 0.0079290900000000 ] - [ 0.0105019100000000, -0.0045977700000000, -0.0072761700000000 ] - [ 0.0000010100000000, -0.0002145800000000, 0.0001483500000000 ] - [ 0.0293027000000000, -0.0153862800000000, -0.0198014800000000 ] - [ -0.0015985100000000, 0.0001261000000000, -0.0002197000000000 ] - [ 0.0284622900000000, 0.0146577600000000, 0.0186573000000000 ] - [ 0.0000876600000000, 0.0009756400000000, 0.0011163800000000 ] - [ 0.0003129500000000, -0.0011014300000000, -0.0015674200000000 ] - [ 0.0028700800000000, -0.0002593000000000, 0.0001304700000000 ] - [ -0.0000372200000000, 0.0000652300000000, 0.0001533700000000 ] - [ -0.0000116800000000, 0.0000583900000000, -0.0000900700000000 ] - [ 0.0001799500000000, 0.0000604500000000, -0.0004266700000000 ] - [ -0.0000516600000000, -0.0000231700000000, -0.0000783500000000 ] - [ 0.0000754800000000, -0.0001249000000000, -0.0001386600000000 ] - [ 0.0000452900000000, -0.0000328900000000, -0.0000994600000000 ] - [ -0.0000009200000000, -0.0000071800000000, 0.0001877500000000 ] - [ -0.0000421300000000, 0.0000245800000000, -0.0000624200000000 ] - [ 0.0000462800000000, 0.0000267600000000, -0.0000654700000000 ] - [ 0.0000055900000000, 0.0000042500000000, 0.0001881500000000 ] - [ -0.0000080100000000, 0.0000045800000000, 0.0001899500000000 ] - [ 0.0000001900000000, -0.0000531100000000, -0.0000634900000000 ] - [ 0.0000982500000000, -0.0000568200000000, 0.0001139400000000 ] - [ -0.0000004500000000, -0.0001393800000000, 0.0001724800000000 ] - [ 0.0001203200000000, 0.0000700900000000, 0.0001729400000000 ] - [ -0.0000955800000000, -0.0000558700000000, 0.0001158700000000 ] - [ -0.0001219700000000, 0.0000705500000000, 0.0001741900000000 ] - [ 0.0000005200000000, 0.0001109400000000, 0.0001163900000000 ] - [ 0.0001970800000000, -0.0011633200000000, -0.0015820800000000 ] - [ -0.0000008300000000, 0.0000539200000000, -0.0000469500000000 ] - [ 0.0005833000000000, 0.0013779300000000, 0.0018864800000000 ] - [ -0.0000471000000000, -0.0000264400000000, -0.0000478400000000 ] - [ 0.0000479200000000, -0.0000276500000000, -0.0000466600000000 ] - [ -0.0018111500000000, -0.0002196200000000, 0.0001488400000000 ] - [ -0.0001305800000000, 0.0000754400000000, 0.0000474700000000 ] - [ 0.0000004600000000, 0.0001222500000000, -0.0002199200000000 ] - [ 0.0001278100000000, 0.0000738900000000, 0.0000451100000000 ] - [ -0.0001054900000000, -0.0000614600000000, -0.0002205200000000 ] - [ 0.0001077800000000, -0.0000622500000000, -0.0002222100000000 ] - [ -0.0000000600000000, -0.0001476900000000, 0.0000459800000000 ] - [ -0.0001096100000000, 0.0000632900000000, -0.0001319900000000 ] - [ 0.0000005900000000, 0.0000580100000000, -0.0000881200000000 ] - [ 0.0001083700000000, 0.0000633100000000, -0.0001333300000000 ] - [ -0.0000498900000000, -0.0000295300000000, -0.0000879600000000 ] - [ -0.0000006800000000, -0.0001254400000000, -0.0001336400000000 ] - [ 0.0000463300000000, -0.0000267100000000, -0.0000854300000000 ] - [ -0.0000002400000000, -0.0000069100000000, 0.0001885600000000 ] - [ -0.0000426900000000, 0.0000246000000000, -0.0000636100000000 ] - [ 0.0000462100000000, 0.0000269600000000, -0.0000612000000000 ] - [ 0.0000056600000000, 0.0000039400000000, 0.0001864500000000 ] - [ -0.0000074000000000, 0.0000046500000000, 0.0001932600000000 ] - [ -0.0000002700000000, -0.0000534100000000, -0.0000618800000000 ] - [ 0.0000980600000000, -0.0000646300000000, 0.0001019800000000 ] - [ 0.0000639400000000, -0.0001380300000000, 0.0001696400000000 ] - [ 0.0001574900000000, 0.0000544400000000, -0.0000775600000000 ] - [ -0.0000910900000000, -0.0000453700000000, 0.0001333700000000 ] - [ -0.0000815700000000, 0.0000847200000000, 0.0004170100000000 ] - [ -0.0000132000000000, 0.0001081700000000, 0.0001191600000000 ] - [ -0.0001846700000000, 0.0001065800000000, 0.0001456900000000 ] - [ -0.0000008900000000, 0.0000538200000000, -0.0000468400000000 ] - [ 0.0001864800000000, 0.0001066300000000, 0.0001472500000000 ] - [ -0.0000470700000000, -0.0000263600000000, -0.0000477300000000 ] - [ 0.0000478100000000, -0.0000275900000000, -0.0000464300000000 ] - [ 0.0000009200000000, -0.0002146400000000, 0.0001474200000000 ] - [ -0.0001304000000000, 0.0000753300000000, 0.0000472500000000 ] - [ 0.0000004300000000, 0.0001248000000000, -0.0002249700000000 ] - [ 0.0001280300000000, 0.0000739700000000, 0.0000451800000000 ] - [ -0.0001076800000000, -0.0000626800000000, -0.0002255700000000 ] - [ 0.0001101700000000, -0.0000636300000000, -0.0002273700000000 ] - [ -0.0000000200000000, -0.0001478700000000, 0.0000460200000000 ] - [ -0.0001084500000000, 0.0000626200000000, -0.0001369900000000 ] - [ -0.0000000200000000, 0.0000575300000000, -0.0000874300000000 ] - [ 0.0001075600000000, 0.0000627300000000, -0.0001381300000000 ] - [ -0.0000498000000000, -0.0000287600000000, -0.0000872500000000 ] - [ -0.0000005700000000, -0.0001244200000000, -0.0001384500000000 ] - [ 0.0000455100000000, -0.0000262300000000, -0.0000851100000000 ] - [ -0.0000007500000000, -0.0000078300000000, 0.0001904100000000 ] - [ -0.0000404600000000, 0.0000233800000000, -0.0000685800000000 ] - [ 0.0000440000000000, 0.0000256500000000, -0.0000664100000000 ] - [ 0.0000061900000000, 0.0000044900000000, 0.0001906100000000 ] - [ -0.0000082700000000, 0.0000048100000000, 0.0001926400000000 ] - [ -0.0000001800000000, -0.0000508600000000, -0.0000669900000000 ] - [ 0.0000984200000000, -0.0000569000000000, 0.0001135300000000 ] - [ -0.0000003500000000, -0.0001392200000000, 0.0001709500000000 ] - [ 0.0001202000000000, 0.0000699300000000, 0.0001713800000000 ] - [ -0.0000957000000000, -0.0000559200000000, 0.0001155000000000 ] - [ -0.0001218500000000, 0.0000704800000000, 0.0001727200000000 ] - [ 0.0000005200000000, 0.0001110700000000, 0.0001160200000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0160374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0133716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011843100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012180000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009503500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011273500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012170600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010616100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009530400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012448100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0120062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024978400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024367600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024882000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026118400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024283300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022537400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000089000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008732800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008409300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008339300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009229200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008373900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009252100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008392000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010206800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022347100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1576929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023178800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022604400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023720900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017893700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012473400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017908400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023216600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022610200000000 ] - [ -0.0000112900000000, 0.0000065200000000, -0.0008058800000000 ] - [ 0.0000000000000000, -0.0165300500000000, 0.0238528000000000 ] - [ 0.0000112900000000, 0.0000065200000000, -0.0008058800000000 ] - [ 0.0143154400000000, 0.0082650200000000, 0.0238528000000000 ] - [ -0.0143154400000000, 0.0082650200000000, 0.0238528000000000 ] - [ 0.0000000000000000, -0.0000130300000000, -0.0008058800000000 ] - [ -0.0245764700000000, 0.0141892300000000, 0.0316997100000000 ] - [ 0.0000000000000000, 0.0006648800000000, -0.0003547400000000 ] - [ 0.0245764700000000, 0.0141892300000000, 0.0316997100000000 ] - [ -0.0005758000000000, -0.0003324400000000, -0.0003547400000000 ] - [ 0.0005758000000000, -0.0003324400000000, -0.0003547400000000 ] - [ 0.0000000000000000, -0.0283784700000000, 0.0316997100000000 ] - [ -0.0003493600000000, 0.0002017000000000, -0.0014226900000000 ] - [ 0.0000000000000000, 0.0000005200000000, -0.0011157400000000 ] - [ 0.0003493600000000, 0.0002017000000000, -0.0014226900000000 ] - [ -0.0000004500000000, -0.0000002600000000, -0.0011157400000000 ] - [ 0.0000000000000000, -0.0004034100000000, -0.0014226900000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0011157400000000 ] - [ 0.0000000000000000, 0.0000201200000000, -0.0010353400000000 ] - [ 0.0000379400000000, -0.0000219000000000, -0.0010937800000000 ] - [ -0.0000379400000000, -0.0000219000000000, -0.0010937800000000 ] - [ -0.0000174300000000, -0.0000100600000000, -0.0010353400000000 ] - [ 0.0000174300000000, -0.0000100600000000, -0.0010353400000000 ] - [ 0.0000000000000000, 0.0000438000000000, -0.0010937800000000 ] - [ 0.0002558100000000, -0.0001476900000000, -0.0008468900000000 ] - [ 0.0000000000000000, -0.0001453100000000, -0.0010531400000000 ] - [ 0.0001258400000000, 0.0000726500000000, -0.0010531400000000 ] - [ -0.0002558100000000, -0.0001476900000000, -0.0008468900000000 ] - [ -0.0001258400000000, 0.0000726500000000, -0.0010531400000000 ] - [ 0.0000000000000000, 0.0002953800000000, -0.0008468900000000 ] - [ 0.0004078300000000, -0.0002354600000000, -0.0002501400000000 ] - [ 0.0000000000000000, 0.0002877600000000, -0.0011962100000000 ] - [ -0.0004078300000000, -0.0002354600000000, -0.0002501400000000 ] - [ -0.0002492100000000, -0.0001438800000000, -0.0011962100000000 ] - [ 0.0002492100000000, -0.0001438800000000, -0.0011962100000000 ] - [ 0.0000000000000000, 0.0004709300000000, -0.0002501400000000 ] - [ -0.0000293400000000, 0.0000169400000000, -0.0011367400000000 ] - [ 0.0000000000000000, 0.0003080200000000, -0.0011842000000000 ] - [ 0.0000293400000000, 0.0000169400000000, -0.0011367400000000 ] - [ -0.0002667500000000, -0.0001540100000000, -0.0011842000000000 ] - [ 0.0002667500000000, -0.0001540100000000, -0.0011842000000000 ] - [ 0.0000000000000000, -0.0000338800000000, -0.0011367400000000 ] - [ -0.0001267000000000, 0.0000731500000000, -0.0013617000000000 ] - [ 0.0000000000000000, -0.0000065100000000, -0.0011208100000000 ] - [ 0.0001267000000000, 0.0000731500000000, -0.0013617000000000 ] - [ 0.0000056400000000, 0.0000032600000000, -0.0011208100000000 ] - [ 0.0000000000000000, -0.0001463000000000, -0.0013617000000000 ] - [ -0.0000056400000000, 0.0000032600000000, -0.0011208100000000 ] - [ 0.0000000000000000, 0.0000207500000000, -0.0010386600000000 ] - [ 0.0000389800000000, -0.0000225000000000, -0.0010909500000000 ] - [ -0.0000389800000000, -0.0000225000000000, -0.0010909500000000 ] - [ -0.0000179700000000, -0.0000103800000000, -0.0010386600000000 ] - [ 0.0000179700000000, -0.0000103800000000, -0.0010386600000000 ] - [ 0.0000000000000000, 0.0000450100000000, -0.0010909500000000 ] - [ 0.0002595600000000, -0.0001498500000000, -0.0008399700000000 ] - [ 0.0000000000000000, -0.0003013400000000, -0.0011402000000000 ] - [ 0.0002609700000000, 0.0001506700000000, -0.0011402000000000 ] - [ -0.0002595600000000, -0.0001498500000000, -0.0008399700000000 ] - [ -0.0002609700000000, 0.0001506700000000, -0.0011402000000000 ] - [ 0.0000000000000000, 0.0002997100000000, -0.0008399700000000 ] - [ -0.0000113700000000, 0.0000065700000000, -0.0008070400000000 ] - [ 0.0000000000000000, 0.0002887200000000, -0.0011961300000000 ] - [ 0.0000113700000000, 0.0000065700000000, -0.0008070400000000 ] - [ -0.0002500400000000, -0.0001443600000000, -0.0011961300000000 ] - [ 0.0002500400000000, -0.0001443600000000, -0.0011961300000000 ] - [ 0.0000000000000000, -0.0000131300000000, -0.0008070400000000 ] - [ -0.0000290100000000, 0.0000167500000000, -0.0011385000000000 ] - [ 0.0000000000000000, 0.0003102700000000, -0.0011901500000000 ] - [ 0.0000290100000000, 0.0000167500000000, -0.0011385000000000 ] - [ -0.0002687000000000, -0.0001551400000000, -0.0011901500000000 ] - [ 0.0002687000000000, -0.0001551400000000, -0.0011901500000000 ] - [ 0.0000000000000000, -0.0000334900000000, -0.0011385000000000 ] - [ -0.0001256400000000, 0.0000725400000000, -0.0013658300000000 ] - [ 0.0000000000000000, -0.0000072000000000, -0.0011213200000000 ] - [ 0.0001256400000000, 0.0000725400000000, -0.0013658300000000 ] - [ 0.0000062400000000, 0.0000036000000000, -0.0011213200000000 ] - [ 0.0000000000000000, -0.0001450700000000, -0.0013658300000000 ] - [ -0.0000062400000000, 0.0000036000000000, -0.0011213200000000 ] - [ 0.0000000000000000, 0.0000193400000000, -0.0010320500000000 ] - [ 0.0000410500000000, -0.0000237000000000, -0.0010956100000000 ] - [ -0.0000410500000000, -0.0000237000000000, -0.0010956100000000 ] - [ -0.0000167500000000, -0.0000096700000000, -0.0010320500000000 ] - [ 0.0000167500000000, -0.0000096700000000, -0.0010320500000000 ] - [ 0.0000000000000000, 0.0000474000000000, -0.0010956100000000 ] - [ 0.0002557400000000, -0.0001476500000000, -0.0008471900000000 ] - [ 0.0000000000000000, -0.0001447400000000, -0.0010549300000000 ] - [ 0.0001253500000000, 0.0000723700000000, -0.0010549300000000 ] - [ -0.0002557400000000, -0.0001476500000000, -0.0008471900000000 ] - [ -0.0001253500000000, 0.0000723700000000, -0.0010549300000000 ] - [ 0.0000000000000000, 0.0002953100000000, -0.0008471900000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0161833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0132997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009646300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009745000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012046500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012458600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010439400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012045000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012434400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0122798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024617000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023158600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026967400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089903900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024661400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023158000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012683800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010804200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008199900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012715300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013356000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1565974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014176800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027009800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016367700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016295500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014153600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025767900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015551100000000 ] - [ -0.0003795700000000, 0.0002191500000000, 0.0011250300000000 ] - [ 0.0000000000000000, 0.0157478700000000, -0.0234389900000000 ] - [ 0.0003795700000000, 0.0002191500000000, 0.0011250300000000 ] - [ -0.0136380500000000, -0.0078739300000000, -0.0234389900000000 ] - [ 0.0136380500000000, -0.0078739300000000, -0.0234389900000000 ] - [ 0.0000000000000000, -0.0004382900000000, 0.0011250300000000 ] - [ 0.0253720000000000, -0.0146485300000000, -0.0320428800000000 ] - [ 0.0000000000000000, -0.0004261700000000, -0.0001052300000000 ] - [ -0.0253720000000000, -0.0146485300000000, -0.0320428800000000 ] - [ 0.0003690800000000, 0.0002130900000000, -0.0001052300000000 ] - [ -0.0003690800000000, 0.0002130900000000, -0.0001052300000000 ] - [ 0.0000000000000000, 0.0292970700000000, -0.0320428800000000 ] - [ 0.0001462600000000, -0.0000844500000000, 0.0011695300000000 ] - [ 0.0000000000000000, 0.0001098700000000, 0.0009601600000000 ] - [ -0.0001462600000000, -0.0000844500000000, 0.0011695300000000 ] - [ -0.0000951500000000, -0.0000549400000000, 0.0009601600000000 ] - [ 0.0000000000000000, 0.0001688900000000, 0.0011695300000000 ] - [ 0.0000951500000000, -0.0000549400000000, 0.0009601600000000 ] - [ 0.0000000000000000, -0.0000177900000000, 0.0013693000000000 ] - [ -0.0001292100000000, 0.0000746000000000, 0.0009574800000000 ] - [ 0.0001292100000000, 0.0000746000000000, 0.0009574800000000 ] - [ 0.0000154100000000, 0.0000088900000000, 0.0013693000000000 ] - [ -0.0000154100000000, 0.0000088900000000, 0.0013693000000000 ] - [ 0.0000000000000000, -0.0001492000000000, 0.0009574800000000 ] - [ -0.0000749600000000, 0.0000432800000000, 0.0010756900000000 ] - [ 0.0000000000000000, -0.0001227100000000, 0.0013920400000000 ] - [ 0.0001062700000000, 0.0000613600000000, 0.0013920400000000 ] - [ 0.0000749600000000, 0.0000432800000000, 0.0010756900000000 ] - [ -0.0001062700000000, 0.0000613600000000, 0.0013920400000000 ] - [ 0.0000000000000000, -0.0000865500000000, 0.0010756900000000 ] - [ -0.0008155900000000, 0.0004708800000000, 0.0005992500000000 ] - [ 0.0000000000000000, -0.0001814600000000, 0.0011173800000000 ] - [ 0.0008155900000000, 0.0004708800000000, 0.0005992500000000 ] - [ 0.0001571400000000, 0.0000907300000000, 0.0011173800000000 ] - [ -0.0001571400000000, 0.0000907300000000, 0.0011173800000000 ] - [ 0.0000000000000000, -0.0009417700000000, 0.0005992500000000 ] - [ -0.0001920400000000, 0.0001108800000000, 0.0012035100000000 ] - [ 0.0000000000000000, -0.0000758200000000, 0.0007484500000000 ] - [ 0.0001920400000000, 0.0001108800000000, 0.0012035100000000 ] - [ 0.0000656600000000, 0.0000379100000000, 0.0007484500000000 ] - [ -0.0000656600000000, 0.0000379100000000, 0.0007484500000000 ] - [ 0.0000000000000000, -0.0002217500000000, 0.0012035100000000 ] - [ -0.0000828400000000, 0.0000478300000000, 0.0011134900000000 ] - [ 0.0000000000000000, 0.0001157800000000, 0.0009679200000000 ] - [ 0.0000828400000000, 0.0000478300000000, 0.0011134900000000 ] - [ -0.0001002700000000, -0.0000578900000000, 0.0009679200000000 ] - [ 0.0000000000000000, -0.0000956600000000, 0.0011134900000000 ] - [ 0.0001002700000000, -0.0000578900000000, 0.0009679200000000 ] - [ 0.0000000000000000, -0.0000179600000000, 0.0013723500000000 ] - [ -0.0001315500000000, 0.0000759500000000, 0.0009581900000000 ] - [ 0.0001315500000000, 0.0000759500000000, 0.0009581900000000 ] - [ 0.0000155500000000, 0.0000089800000000, 0.0013723500000000 ] - [ -0.0000155500000000, 0.0000089800000000, 0.0013723500000000 ] - [ 0.0000000000000000, -0.0001519000000000, 0.0009581900000000 ] - [ -0.0000831800000000, 0.0000480300000000, 0.0010723300000000 ] - [ 0.0000000000000000, 0.0000331800000000, 0.0014703100000000 ] - [ -0.0000287400000000, -0.0000165900000000, 0.0014703100000000 ] - [ 0.0000831800000000, 0.0000480300000000, 0.0010723300000000 ] - [ 0.0000287400000000, -0.0000165900000000, 0.0014703100000000 ] - [ 0.0000000000000000, -0.0000960500000000, 0.0010723300000000 ] - [ -0.0003784200000000, 0.0002184800000000, 0.0011235700000000 ] - [ 0.0000000000000000, -0.0001796000000000, 0.0011155400000000 ] - [ 0.0003784200000000, 0.0002184800000000, 0.0011235700000000 ] - [ 0.0001555400000000, 0.0000898000000000, 0.0011155400000000 ] - [ -0.0001555400000000, 0.0000898000000000, 0.0011155400000000 ] - [ 0.0000000000000000, -0.0004369600000000, 0.0011235700000000 ] - [ -0.0001951100000000, 0.0001126500000000, 0.0012056500000000 ] - [ 0.0000000000000000, -0.0000736600000000, 0.0007429400000000 ] - [ 0.0001951100000000, 0.0001126500000000, 0.0012056500000000 ] - [ 0.0000637900000000, 0.0000368300000000, 0.0007429400000000 ] - [ -0.0000637900000000, 0.0000368300000000, 0.0007429400000000 ] - [ 0.0000000000000000, -0.0002253000000000, 0.0012056500000000 ] - [ -0.0000807500000000, 0.0000466200000000, 0.0011080200000000 ] - [ 0.0000000000000000, 0.0001156000000000, 0.0009701300000000 ] - [ 0.0000807500000000, 0.0000466200000000, 0.0011080200000000 ] - [ -0.0001001200000000, -0.0000578000000000, 0.0009701300000000 ] - [ 0.0000000000000000, -0.0000932400000000, 0.0011080200000000 ] - [ 0.0001001200000000, -0.0000578000000000, 0.0009701300000000 ] - [ 0.0000000000000000, -0.0000172800000000, 0.0013705600000000 ] - [ -0.0001300800000000, 0.0000751000000000, 0.0009535600000000 ] - [ 0.0001300800000000, 0.0000751000000000, 0.0009535600000000 ] - [ 0.0000149600000000, 0.0000086400000000, 0.0013705600000000 ] - [ -0.0000149600000000, 0.0000086400000000, 0.0013705600000000 ] - [ 0.0000000000000000, -0.0001502000000000, 0.0009535600000000 ] - [ -0.0000744900000000, 0.0000430000000000, 0.0010752100000000 ] - [ 0.0000000000000000, -0.0001231900000000, 0.0013909200000000 ] - [ 0.0001066800000000, 0.0000615900000000, 0.0013909200000000 ] - [ 0.0000744900000000, 0.0000430000000000, 0.0010752100000000 ] - [ -0.0001066800000000, 0.0000615900000000, 0.0013909200000000 ] - [ 0.0000000000000000, -0.0000860100000000, 0.0010752100000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002500000000, -0.0000001100000000, 0.0001168200000000 ] - [ 0.0000002800000000, 0.0000001300000000, -0.0000738700000000 ] - [ 0.0001135000000000, 0.0000002200000000, -0.0001447700000000 ] - [ 0.0075035900000000, 0.0000518500000000, 0.0000459200000000 ] - [ 0.0000821800000000, -0.0000001000000000, 0.0001373300000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0001205500000000 ] - [ -0.0000004300000000, 0.0000002100000000, -0.0000710900000000 ] - [ -0.0000002700000000, 0.0000001000000000, -0.0001485700000000 ] - [ -0.0000000700000000, 0.0000001000000000, 0.0000688600000000 ] - [ -0.0000000700000000, -0.0000000300000000, 0.0001391100000000 ] - [ 0.0000005500000000, -0.0000001400000000, 0.0001207300000000 ] - [ -0.0000005300000000, 0.0000002700000000, -0.0000700900000000 ] - [ -0.0000001100000000, 0.0000000000000000, -0.0001454300000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0000695900000000 ] - [ -0.0000001400000000, 0.0000000200000000, 0.0001403800000000 ] - [ -0.0000363600000000, 0.0000000000000000, 0.0001165300000000 ] - [ -0.0000301100000000, 0.0000000000000000, -0.0000517500000000 ] - [ -0.0042120700000000, -0.0000067700000000, -0.0000023200000000 ] - [ 0.0133823200000000, -0.0000878300000000, 0.0001061700000000 ] - [ -0.0055020900000000, 0.0000066900000000, -0.0001995000000000 ] - [ -0.0000002100000000, 0.0000000500000000, 0.0001181200000000 ] - [ 0.0000003000000000, -0.0000001300000000, -0.0000584800000000 ] - [ -0.0000000300000000, -0.0000000600000000, 0.0000068500000000 ] - [ 0.0000002700000000, -0.0000001800000000, 0.0000563200000000 ] - [ 0.0000000200000000, -0.0000000500000000, -0.0002212200000000 ] - [ 0.0000001800000000, -0.0000001900000000, 0.0001186700000000 ] - [ 0.0000000600000000, 0.0000000000000000, -0.0000518000000000 ] - [ -0.0000003000000000, 0.0000000200000000, 0.0000111600000000 ] - [ 0.0000001500000000, -0.0000001200000000, 0.0000609600000000 ] - [ -0.0000000800000000, 0.0000000900000000, -0.0002239800000000 ] - [ -0.0000032000000000, -0.0000003500000000, -0.0000092300000000 ] - [ -0.0004216200000000, -0.0000001700000000, -0.0002136400000000 ] - [ 0.0060414100000000, 0.0000115600000000, 0.0000500000000000 ] - [ 0.0067684900000000, -0.0000145700000000, -0.0002127400000000 ] - [ 0.0000513900000000, 0.0000000900000000, -0.0000335200000000 ] - [ 0.0000004200000000, -0.0000002300000000, -0.0000079700000000 ] - [ -0.0000006100000000, 0.0000002900000000, -0.0002161200000000 ] - [ 0.0000026600000000, -0.0000014300000000, 0.0000493500000000 ] - [ 0.0000002700000000, -0.0000000600000000, -0.0002138200000000 ] - [ -0.0000006600000000, 0.0000002600000000, -0.0000314800000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0000063500000000 ] - [ -0.0000006600000000, 0.0000003500000000, -0.0002139100000000 ] - [ 0.0000030400000000, -0.0000016300000000, 0.0000509200000000 ] - [ 0.0000001500000000, 0.0000000500000000, -0.0002159900000000 ] - [ -0.0000007600000000, 0.0000003300000000, -0.0000303800000000 ] - [ 0.0000004300000000, 0.0000000200000000, 0.0004645300000000 ] - [ 0.0000016100000000, -0.0000002000000000, -0.0004674200000000 ] - [ -0.1176848100000000, 0.0001943800000000, 0.0004365200000000 ] - [ 0.0001040600000000, 0.0000002000000000, -0.0006539800000000 ] - [ -0.0007453700000000, 0.0000020700000000, 0.0003501400000000 ] - [ -0.0000003000000000, 0.0000003200000000, 0.0004736300000000 ] - [ 0.0000004600000000, -0.0000005600000000, -0.0004541300000000 ] - [ 0.0000005400000000, -0.0000000700000000, 0.0003364800000000 ] - [ -0.0000006700000000, 0.0000002700000000, -0.0006655700000000 ] - [ -0.0000009000000000, 0.0000004700000000, 0.0003485100000000 ] - [ -0.0000075300000000, 0.0000006200000000, 0.0004740400000000 ] - [ 0.0000016700000000, -0.0000003100000000, -0.0004536800000000 ] - [ 0.0000001400000000, 0.0000001900000000, 0.0003432600000000 ] - [ -0.0000009900000000, 0.0000005500000000, -0.0006538100000000 ] - [ 0.0000001100000000, 0.0000000200000000, 0.0003531700000000 ] - [ -0.0001848100000000, 0.0001004300000000, 0.0001421100000000 ] - [ -0.0000010800000000, 0.0000536500000000, -0.0000407900000000 ] - [ 0.0001899800000000, 0.0001148800000000, 0.0001665300000000 ] - [ -0.0000468700000000, -0.0000261100000000, -0.0000414400000000 ] - [ 0.0000473500000000, -0.0000274200000000, -0.0000403100000000 ] - [ -0.0000098700000000, -0.0002170200000000, 0.0001556800000000 ] - [ -0.0001300000000000, 0.0000753600000000, 0.0000500900000000 ] - [ -0.0000133400000000, 0.0001230700000000, -0.0002292600000000 ] - [ 0.0001280800000000, 0.0000737300000000, 0.0000433900000000 ] - [ -0.0001041800000000, -0.0000526400000000, -0.0002151000000000 ] - [ 0.0001103100000000, -0.0000715900000000, -0.0002456700000000 ] - [ 0.0000004400000000, -0.0001475500000000, 0.0000464900000000 ] - [ -0.0000571200000000, 0.0000666500000000, 0.0001276300000000 ] - [ -0.0018959500000000, 0.0000566500000000, -0.0000848600000000 ] - [ 0.0001581400000000, 0.0000585000000000, -0.0003910500000000 ] - [ -0.0001262700000000, 0.0010179200000000, 0.0015130200000000 ] - [ 0.0000575400000000, -0.0001235600000000, -0.0001317800000000 ] - [ -0.0000410900000000, -0.0010752100000000, -0.0016762000000000 ] - [ 0.0026903300000000, -0.0001017100000000, 0.0002517700000000 ] - [ 0.0208355600000000, -0.0101528400000000, -0.0143503300000000 ] - [ 0.0217195000000000, 0.0108538300000000, 0.0152006000000000 ] - [ 0.0240742000000000, 0.0122430800000000, 0.0169763500000000 ] - [ 0.0250613300000000, -0.0130256300000000, -0.0177216200000000 ] - [ 0.0030901100000000, 0.0000237900000000, -0.0001202900000000 ] - [ 0.0002885900000000, -0.0010477400000000, -0.0011641900000000 ] - [ 0.0000709300000000, -0.0001414900000000, 0.0001737800000000 ] - [ 0.0001863700000000, 0.0000668300000000, -0.0000954300000000 ] - [ 0.0000857300000000, 0.0009348800000000, 0.0013833100000000 ] - [ -0.0000594800000000, 0.0000754900000000, 0.0004470900000000 ] - [ -0.0015298100000000, 0.0001129300000000, 0.0001155700000000 ] - [ -0.0001880500000000, 0.0001085400000000, 0.0001555900000000 ] - [ -0.0000008500000000, 0.0000568000000000, -0.0000454400000000 ] - [ 0.0001897500000000, 0.0001085300000000, 0.0001571300000000 ] - [ -0.0000495800000000, -0.0000278600000000, -0.0000462900000000 ] - [ 0.0000503200000000, -0.0000290500000000, -0.0000451500000000 ] - [ 0.0000009200000000, -0.0002185100000000, 0.0001574400000000 ] - [ -0.0001278700000000, 0.0000738500000000, 0.0000429700000000 ] - [ 0.0000004900000000, 0.0001225800000000, -0.0002272500000000 ] - [ 0.0001251100000000, 0.0000724400000000, 0.0000408000000000 ] - [ -0.0001058500000000, -0.0000616000000000, -0.0002276800000000 ] - [ 0.0001082400000000, -0.0000624400000000, -0.0002294200000000 ] - [ -0.0000001800000000, -0.0001445000000000, 0.0000415500000000 ] - [ -0.0001111700000000, 0.0000641300000000, -0.0001243400000000 ] - [ 0.0000000600000000, 0.0000578300000000, -0.0000787900000000 ] - [ 0.0001096800000000, 0.0000640600000000, -0.0001258300000000 ] - [ -0.0000501200000000, -0.0000290100000000, -0.0000786200000000 ] - [ -0.0000007300000000, -0.0001270000000000, -0.0001259600000000 ] - [ 0.0000458500000000, -0.0000263700000000, -0.0000765400000000 ] - [ -0.0000009200000000, -0.0000088400000000, 0.0001827500000000 ] - [ -0.0000395300000000, 0.0000228000000000, -0.0000677700000000 ] - [ 0.0000429500000000, 0.0000250600000000, -0.0000657400000000 ] - [ 0.0000067900000000, 0.0000049700000000, 0.0001827600000000 ] - [ -0.0000095900000000, 0.0000055300000000, 0.0001853300000000 ] - [ -0.0000002200000000, -0.0000496600000000, -0.0000662600000000 ] - [ 0.0000971400000000, -0.0000562100000000, 0.0001108500000000 ] - [ -0.0000003400000000, -0.0001400500000000, 0.0001711100000000 ] - [ 0.0001209200000000, 0.0000703300000000, 0.0001715300000000 ] - [ -0.0000944700000000, -0.0000551000000000, 0.0001128900000000 ] - [ -0.0001222400000000, 0.0000707100000000, 0.0001725400000000 ] - [ 0.0000003800000000, 0.0001095700000000, 0.0001134000000000 ] - [ -0.0001870700000000, 0.0001079600000000, 0.0001535200000000 ] - [ -0.0000003600000000, 0.0000569500000000, -0.0000456400000000 ] - [ 0.0001888200000000, 0.0001080400000000, 0.0001550600000000 ] - [ -0.0000495500000000, -0.0000281000000000, -0.0000490600000000 ] - [ 0.0000507000000000, -0.0000289500000000, -0.0000426200000000 ] - [ 0.0000008700000000, -0.0002174100000000, 0.0001553500000000 ] - [ -0.0001282600000000, 0.0000739700000000, 0.0000432400000000 ] - [ 0.0000004300000000, 0.0001247800000000, -0.0002318500000000 ] - [ 0.0001259200000000, 0.0000729000000000, 0.0000416100000000 ] - [ -0.0001078200000000, -0.0000627200000000, -0.0002323000000000 ] - [ 0.0001103400000000, -0.0000637000000000, -0.0002341800000000 ] - [ -0.0000002600000000, -0.0001453500000000, 0.0000422300000000 ] - [ -0.0001098400000000, 0.0000633800000000, -0.0001296700000000 ] - [ -0.0000000400000000, 0.0000570200000000, -0.0000784600000000 ] - [ 0.0001086300000000, 0.0000634400000000, -0.0001309400000000 ] - [ -0.0000494800000000, -0.0000285100000000, -0.0000782300000000 ] - [ -0.0000006900000000, -0.0001257500000000, -0.0001311100000000 ] - [ 0.0000450700000000, -0.0000259300000000, -0.0000761200000000 ] - [ -0.0000008500000000, -0.0000097100000000, 0.0001843400000000 ] - [ -0.0000371700000000, 0.0000214300000000, -0.0000731500000000 ] - [ 0.0000406300000000, 0.0000237500000000, -0.0000710600000000 ] - [ 0.0000076500000000, 0.0000054000000000, 0.0001844000000000 ] - [ -0.0000100200000000, 0.0000057900000000, 0.0001867500000000 ] - [ -0.0000002800000000, -0.0000470000000000, -0.0000715900000000 ] - [ 0.0000994500000000, -0.0000575300000000, 0.0001076700000000 ] - [ -0.0000004100000000, -0.0001408000000000, 0.0001730800000000 ] - [ 0.0001215300000000, 0.0000707600000000, 0.0001734800000000 ] - [ -0.0000968200000000, -0.0000564900000000, 0.0001096300000000 ] - [ -0.0001233400000000, 0.0000713300000000, 0.0001748300000000 ] - [ 0.0000004200000000, 0.0001123000000000, 0.0001101700000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009191800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006412200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0133945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009232800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008201100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010449200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009243700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010463700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011122500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021483000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0269098500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112210400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021281600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019589000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021532800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000909200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009261800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009086700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007062300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009113600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021365800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1523642700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011911100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021446600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020819800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020258000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021367500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020317600000000 ] - [ -0.0000192600000000, 0.0000111200000000, -0.0006947800000000 ] - [ 0.0000000000000000, 0.0002549700000000, -0.0010580100000000 ] - [ 0.0000192600000000, 0.0000111200000000, -0.0006947800000000 ] - [ -0.0002208100000000, -0.0001274800000000, -0.0010580100000000 ] - [ 0.0002208100000000, -0.0001274800000000, -0.0010580100000000 ] - [ 0.0000000000000000, -0.0000222400000000, -0.0006947800000000 ] - [ -0.0000524700000000, 0.0000302900000000, -0.0009850300000000 ] - [ 0.0000000000000000, 0.0003027800000000, -0.0010622200000000 ] - [ 0.0000524700000000, 0.0000302900000000, -0.0009850300000000 ] - [ -0.0002622200000000, -0.0001513900000000, -0.0010622200000000 ] - [ 0.0002622200000000, -0.0001513900000000, -0.0010622200000000 ] - [ 0.0000000000000000, -0.0000605900000000, -0.0009850300000000 ] - [ -0.0003345300000000, 0.0001931400000000, -0.0013579500000000 ] - [ 0.0000000000000000, 0.0014593900000000, 0.0004165400000000 ] - [ 0.0003345300000000, 0.0001931400000000, -0.0013579500000000 ] - [ -0.0012638700000000, -0.0007297000000000, 0.0004165400000000 ] - [ 0.0000000000000000, -0.0003862800000000, -0.0013579500000000 ] - [ 0.0012638700000000, -0.0007297000000000, 0.0004165400000000 ] - [ 0.0000000000000000, -0.0226650800000000, 0.0296100100000000 ] - [ -0.0195885200000000, 0.0113094400000000, 0.0273209300000000 ] - [ 0.0195885200000000, 0.0113094400000000, 0.0273209300000000 ] - [ 0.0196285300000000, 0.0113325400000000, 0.0296100100000000 ] - [ -0.0196285300000000, 0.0113325400000000, 0.0296100100000000 ] - [ 0.0000000000000000, -0.0226188800000000, 0.0273209300000000 ] - [ 0.0005431400000000, -0.0003135800000000, 0.0000612900000000 ] - [ 0.0000000000000000, -0.0003917500000000, -0.0009643800000000 ] - [ 0.0003392600000000, 0.0001958700000000, -0.0009643800000000 ] - [ -0.0005431400000000, -0.0003135800000000, 0.0000612900000000 ] - [ -0.0003392600000000, 0.0001958700000000, -0.0009643800000000 ] - [ 0.0000000000000000, 0.0006271600000000, 0.0000612900000000 ] - [ -0.0000267700000000, 0.0000154500000000, -0.0006989800000000 ] - [ 0.0000000000000000, 0.0002589600000000, -0.0010645700000000 ] - [ 0.0000267700000000, 0.0000154500000000, -0.0006989800000000 ] - [ -0.0002242700000000, -0.0001294800000000, -0.0010645700000000 ] - [ 0.0002242700000000, -0.0001294800000000, -0.0010645700000000 ] - [ 0.0000000000000000, -0.0000309100000000, -0.0006989800000000 ] - [ -0.0000491300000000, 0.0000283700000000, -0.0009877800000000 ] - [ 0.0000000000000000, 0.0002843200000000, -0.0010646700000000 ] - [ 0.0000491300000000, 0.0000283700000000, -0.0009877800000000 ] - [ -0.0002462300000000, -0.0001421600000000, -0.0010646700000000 ] - [ 0.0002462300000000, -0.0001421600000000, -0.0010646700000000 ] - [ 0.0000000000000000, -0.0000567300000000, -0.0009877800000000 ] - [ -0.0001224400000000, 0.0000706900000000, -0.0012226000000000 ] - [ 0.0000000000000000, 0.0000022500000000, -0.0010054800000000 ] - [ 0.0001224400000000, 0.0000706900000000, -0.0012226000000000 ] - [ -0.0000019500000000, -0.0000011200000000, -0.0010054800000000 ] - [ 0.0000000000000000, -0.0001413800000000, -0.0012226000000000 ] - [ 0.0000019500000000, -0.0000011200000000, -0.0010054800000000 ] - [ 0.0000000000000000, 0.0000144500000000, -0.0008743500000000 ] - [ 0.0000253900000000, -0.0000146600000000, -0.0009613700000000 ] - [ -0.0000253900000000, -0.0000146600000000, -0.0009613700000000 ] - [ -0.0000125200000000, -0.0000072300000000, -0.0008743500000000 ] - [ 0.0000125200000000, -0.0000072300000000, -0.0008743500000000 ] - [ 0.0000000000000000, 0.0000293200000000, -0.0009613700000000 ] - [ 0.0002355100000000, -0.0001359700000000, -0.0007249300000000 ] - [ 0.0000000000000000, -0.0001434700000000, -0.0009101700000000 ] - [ 0.0001242500000000, 0.0000717400000000, -0.0009101700000000 ] - [ -0.0002355100000000, -0.0001359700000000, -0.0007249300000000 ] - [ -0.0001242500000000, 0.0000717400000000, -0.0009101700000000 ] - [ 0.0000000000000000, 0.0002719400000000, -0.0007249300000000 ] - [ -0.0000245800000000, 0.0000141900000000, -0.0007022300000000 ] - [ 0.0000000000000000, 0.0002577500000000, -0.0010663800000000 ] - [ 0.0000245800000000, 0.0000141900000000, -0.0007022300000000 ] - [ -0.0002232100000000, -0.0001288700000000, -0.0010663800000000 ] - [ 0.0002232100000000, -0.0001288700000000, -0.0010663800000000 ] - [ 0.0000000000000000, -0.0000283900000000, -0.0007022300000000 ] - [ -0.0000499700000000, 0.0000288500000000, -0.0009862700000000 ] - [ 0.0000000000000000, 0.0002888200000000, -0.0010706600000000 ] - [ 0.0000499700000000, 0.0000288500000000, -0.0009862700000000 ] - [ -0.0002501300000000, -0.0001444100000000, -0.0010706600000000 ] - [ 0.0002501300000000, -0.0001444100000000, -0.0010706600000000 ] - [ 0.0000000000000000, -0.0000577000000000, -0.0009862700000000 ] - [ -0.0001226200000000, 0.0000708000000000, -0.0012275900000000 ] - [ 0.0000000000000000, 0.0000013100000000, -0.0010054500000000 ] - [ 0.0001226200000000, 0.0000708000000000, -0.0012275900000000 ] - [ -0.0000011400000000, -0.0000006600000000, -0.0010054500000000 ] - [ 0.0000000000000000, -0.0001415900000000, -0.0012275900000000 ] - [ 0.0000011400000000, -0.0000006600000000, -0.0010054500000000 ] - [ 0.0000000000000000, 0.0000128500000000, -0.0008714400000000 ] - [ 0.0000278400000000, -0.0000160700000000, -0.0009671400000000 ] - [ -0.0000278400000000, -0.0000160700000000, -0.0009671400000000 ] - [ -0.0000111300000000, -0.0000064300000000, -0.0008714400000000 ] - [ 0.0000111300000000, -0.0000064300000000, -0.0008714400000000 ] - [ 0.0000000000000000, 0.0000321500000000, -0.0009671400000000 ] - [ 0.0002385900000000, -0.0001377500000000, -0.0007284300000000 ] - [ 0.0000000000000000, -0.0001454200000000, -0.0009075400000000 ] - [ 0.0001259300000000, 0.0000727100000000, -0.0009075400000000 ] - [ -0.0002385900000000, -0.0001377500000000, -0.0007284300000000 ] - [ -0.0001259300000000, 0.0000727100000000, -0.0009075400000000 ] - [ 0.0000000000000000, 0.0002755000000000, -0.0007284300000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008485700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010697500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009351100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0136179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008446100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008426500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009057400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008311600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020806500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0268587000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0118222000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022528900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022463500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021676600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020283000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024031900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009191600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005872100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014043600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009933500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011376200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009518500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012019000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024493600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1528698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024519800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011919700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024341000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013307600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011832600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024353100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013891000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013263100000000 ] - [ -0.0003459900000000, 0.0001997600000000, 0.0009904800000000 ] - [ 0.0000000000000000, -0.0001531500000000, 0.0009702900000000 ] - [ 0.0003459900000000, 0.0001997600000000, 0.0009904800000000 ] - [ 0.0001326300000000, 0.0000765800000000, 0.0009702900000000 ] - [ -0.0001326300000000, 0.0000765800000000, 0.0009702900000000 ] - [ 0.0000000000000000, -0.0003995100000000, 0.0009904800000000 ] - [ -0.0002109400000000, 0.0001217900000000, 0.0010854800000000 ] - [ 0.0000000000000000, -0.0000529200000000, 0.0006072200000000 ] - [ 0.0002109400000000, 0.0001217900000000, 0.0010854800000000 ] - [ 0.0000458300000000, 0.0000264600000000, 0.0006072200000000 ] - [ -0.0000458300000000, 0.0000264600000000, 0.0006072200000000 ] - [ 0.0000000000000000, -0.0002435800000000, 0.0010854800000000 ] - [ 0.0001136000000000, -0.0000655900000000, 0.0010844600000000 ] - [ 0.0000000000000000, -0.0013428000000000, -0.0005719200000000 ] - [ -0.0001136000000000, -0.0000655900000000, 0.0010844600000000 ] - [ 0.0011629000000000, 0.0006714000000000, -0.0005719200000000 ] - [ 0.0000000000000000, 0.0001311800000000, 0.0010844600000000 ] - [ -0.0011629000000000, 0.0006714000000000, -0.0005719200000000 ] - [ 0.0000000000000000, 0.0236482600000000, -0.0295696200000000 ] - [ 0.0186204300000000, -0.0107505100000000, -0.0270045900000000 ] - [ -0.0186204300000000, -0.0107505100000000, -0.0270045900000000 ] - [ -0.0204799900000000, -0.0118241300000000, -0.0295696200000000 ] - [ 0.0204799900000000, -0.0118241300000000, -0.0295696200000000 ] - [ 0.0000000000000000, 0.0215010200000000, -0.0270045900000000 ] - [ -0.0003439800000000, 0.0001986000000000, 0.0001532400000000 ] - [ 0.0000000000000000, 0.0001119500000000, 0.0013162000000000 ] - [ -0.0000969500000000, -0.0000559800000000, 0.0013162000000000 ] - [ 0.0003439800000000, 0.0001986000000000, 0.0001532400000000 ] - [ 0.0000969500000000, -0.0000559800000000, 0.0013162000000000 ] - [ 0.0000000000000000, -0.0003971900000000, 0.0001532400000000 ] - [ -0.0003411900000000, 0.0001969900000000, 0.0009987400000000 ] - [ 0.0000000000000000, -0.0001505900000000, 0.0009667300000000 ] - [ 0.0003411900000000, 0.0001969900000000, 0.0009987400000000 ] - [ 0.0001304100000000, 0.0000752900000000, 0.0009667300000000 ] - [ -0.0001304100000000, 0.0000752900000000, 0.0009667300000000 ] - [ 0.0000000000000000, -0.0003939700000000, 0.0009987400000000 ] - [ -0.0002082600000000, 0.0001202400000000, 0.0010772200000000 ] - [ 0.0000000000000000, -0.0000423600000000, 0.0006176500000000 ] - [ 0.0002082600000000, 0.0001202400000000, 0.0010772200000000 ] - [ 0.0000366800000000, 0.0000211800000000, 0.0006176500000000 ] - [ -0.0000366800000000, 0.0000211800000000, 0.0006176500000000 ] - [ 0.0000000000000000, -0.0002404800000000, 0.0010772200000000 ] - [ -0.0000953800000000, 0.0000550700000000, 0.0009599200000000 ] - [ 0.0000000000000000, 0.0001109400000000, 0.0008386700000000 ] - [ 0.0000953800000000, 0.0000550700000000, 0.0009599200000000 ] - [ -0.0000960800000000, -0.0000554700000000, 0.0008386700000000 ] - [ 0.0000000000000000, -0.0001101400000000, 0.0009599200000000 ] - [ 0.0000960800000000, -0.0000554700000000, 0.0008386700000000 ] - [ 0.0000000000000000, -0.0000300500000000, 0.0012527500000000 ] - [ -0.0001158000000000, 0.0000668600000000, 0.0008375100000000 ] - [ 0.0001158000000000, 0.0000668600000000, 0.0008375100000000 ] - [ 0.0000260300000000, 0.0000150300000000, 0.0012527500000000 ] - [ -0.0000260300000000, 0.0000150300000000, 0.0012527500000000 ] - [ 0.0000000000000000, -0.0001337200000000, 0.0008375100000000 ] - [ -0.0000447700000000, 0.0000258500000000, 0.0009570900000000 ] - [ 0.0000000000000000, -0.0001371100000000, 0.0012535000000000 ] - [ 0.0001187400000000, 0.0000685600000000, 0.0012535000000000 ] - [ 0.0000447700000000, 0.0000258500000000, 0.0009570900000000 ] - [ -0.0001187400000000, 0.0000685600000000, 0.0012535000000000 ] - [ 0.0000000000000000, -0.0000516900000000, 0.0009570900000000 ] - [ -0.0003409300000000, 0.0001968400000000, 0.0009976700000000 ] - [ 0.0000000000000000, -0.0001482200000000, 0.0009672000000000 ] - [ 0.0003409300000000, 0.0001968400000000, 0.0009976700000000 ] - [ 0.0001283600000000, 0.0000741100000000, 0.0009672000000000 ] - [ -0.0001283600000000, 0.0000741100000000, 0.0009672000000000 ] - [ 0.0000000000000000, -0.0003936700000000, 0.0009976700000000 ] - [ -0.0002093100000000, 0.0001208500000000, 0.0010786300000000 ] - [ 0.0000000000000000, -0.0000401900000000, 0.0006140700000000 ] - [ 0.0002093100000000, 0.0001208500000000, 0.0010786300000000 ] - [ 0.0000348100000000, 0.0000201000000000, 0.0006140700000000 ] - [ -0.0000348100000000, 0.0000201000000000, 0.0006140700000000 ] - [ 0.0000000000000000, -0.0002416900000000, 0.0010786300000000 ] - [ -0.0000936400000000, 0.0000540600000000, 0.0009538100000000 ] - [ 0.0000000000000000, 0.0001100000000000, 0.0008383700000000 ] - [ 0.0000936400000000, 0.0000540600000000, 0.0009538100000000 ] - [ -0.0000952600000000, -0.0000550000000000, 0.0008383700000000 ] - [ 0.0000000000000000, -0.0001081300000000, 0.0009538100000000 ] - [ 0.0000952600000000, -0.0000550000000000, 0.0008383700000000 ] - [ 0.0000000000000000, -0.0000306500000000, 0.0012535600000000 ] - [ -0.0001133900000000, 0.0000654700000000, 0.0008319800000000 ] - [ 0.0001133900000000, 0.0000654700000000, 0.0008319800000000 ] - [ 0.0000265400000000, 0.0000153200000000, 0.0012535600000000 ] - [ -0.0000265400000000, 0.0000153200000000, 0.0012535600000000 ] - [ 0.0000000000000000, -0.0001309300000000, 0.0008319800000000 ] - [ -0.0000417300000000, 0.0000240900000000, 0.0009531700000000 ] - [ 0.0000000000000000, -0.0001385700000000, 0.0012560800000000 ] - [ 0.0001200000000000, 0.0000692800000000, 0.0012560800000000 ] - [ 0.0000417300000000, 0.0000240900000000, 0.0009531700000000 ] - [ -0.0001200000000000, 0.0000692800000000, 0.0012560800000000 ] - [ 0.0000000000000000, -0.0000481900000000, 0.0009531700000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001176100000000, 0.0000001300000000, 0.0001173400000000 ] - [ -0.0025374400000000, -0.0000036800000000, -0.0000857200000000 ] - [ 0.0068662800000000, 0.0000463200000000, -0.0001682500000000 ] - [ -0.0000127500000000, 0.0000000800000000, 0.0000695900000000 ] - [ -0.0000001700000000, 0.0000000700000000, 0.0001378900000000 ] - [ 0.0000001700000000, -0.0000000400000000, 0.0001209000000000 ] - [ -0.0000003900000000, 0.0000001900000000, -0.0000718600000000 ] - [ -0.0000000400000000, 0.0000001100000000, -0.0001483200000000 ] - [ -0.0000003400000000, 0.0000001200000000, 0.0000680000000000 ] - [ 0.0000002500000000, -0.0000000600000000, 0.0001394700000000 ] - [ 0.0000003500000000, -0.0000001500000000, 0.0001210800000000 ] - [ -0.0000001700000000, 0.0000002500000000, -0.0000708200000000 ] - [ -0.0000000300000000, -0.0000000300000000, -0.0001452800000000 ] - [ -0.0000000800000000, -0.0000000100000000, 0.0000688200000000 ] - [ -0.0000001300000000, 0.0000000300000000, 0.0001407600000000 ] - [ 0.0000000700000000, -0.0000000900000000, 0.0001156200000000 ] - [ 0.0150564700000000, -0.0001007400000000, -0.0000028700000000 ] - [ -0.0060930100000000, 0.0000074000000000, 0.0000373600000000 ] - [ 0.0002358300000000, -0.0000005600000000, 0.0000577100000000 ] - [ 0.0000030800000000, -0.0000001300000000, -0.0002209700000000 ] - [ -0.0000161500000000, 0.0000000200000000, 0.0001171700000000 ] - [ 0.0000003200000000, -0.0000001300000000, -0.0000572400000000 ] - [ -0.0000001500000000, -0.0000000600000000, 0.0000055900000000 ] - [ 0.0000002400000000, -0.0000002100000000, 0.0000557700000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0002212000000000 ] - [ 0.0000002600000000, -0.0000001700000000, 0.0001179600000000 ] - [ 0.0000001200000000, -0.0000000100000000, -0.0000510700000000 ] - [ -0.0000001300000000, 0.0000000200000000, 0.0000104100000000 ] - [ 0.0000000600000000, -0.0000001300000000, 0.0000604100000000 ] - [ -0.0000002200000000, 0.0000001000000000, -0.0002239700000000 ] - [ 0.0065774200000000, 0.0000140000000000, -0.0000099200000000 ] - [ 0.0063903300000000, -0.0000135700000000, -0.0002137200000000 ] - [ -0.0003318400000000, -0.0000006100000000, 0.0000509700000000 ] - [ -0.0000043900000000, 0.0000001100000000, -0.0002138900000000 ] - [ -0.0000004900000000, 0.0000001800000000, -0.0000340100000000 ] - [ 0.0000005300000000, -0.0000002500000000, -0.0000063100000000 ] - [ -0.0000005900000000, 0.0000002600000000, -0.0002161400000000 ] - [ 0.0000027200000000, -0.0000014300000000, 0.0000490500000000 ] - [ 0.0000002500000000, -0.0000000800000000, -0.0002142900000000 ] - [ -0.0000034300000000, 0.0000002500000000, -0.0000317900000000 ] - [ 0.0000007500000000, -0.0000003800000000, -0.0000046500000000 ] - [ -0.0000006300000000, 0.0000003100000000, -0.0002138800000000 ] - [ 0.0000030800000000, -0.0000016200000000, 0.0000506100000000 ] - [ 0.0000002000000000, 0.0000000300000000, -0.0002163500000000 ] - [ -0.0000007100000000, 0.0000003200000000, -0.0000307700000000 ] - [ 0.0000630700000000, 0.0000001100000000, 0.0004658800000000 ] - [ -0.0007901900000000, -0.0000016600000000, -0.0004668400000000 ] - [ 0.0001045100000000, -0.0000004300000000, 0.0003404200000000 ] - [ -0.1186605100000000, -0.0000653800000000, -0.0007913300000000 ] - [ 0.0000007700000000, 0.0000001100000000, 0.0003510900000000 ] - [ -0.0000006500000000, 0.0000003500000000, 0.0004749800000000 ] - [ 0.0000011900000000, -0.0000005600000000, -0.0004555700000000 ] - [ 0.0000001400000000, -0.0000001000000000, 0.0003397100000000 ] - [ -0.0000000600000000, 0.0000003200000000, -0.0006683300000000 ] - [ -0.0000000800000000, 0.0000004800000000, 0.0003474600000000 ] - [ -0.0000009900000000, 0.0000006000000000, 0.0004758400000000 ] - [ 0.0000005200000000, -0.0000002500000000, -0.0004554600000000 ] - [ -0.0000004700000000, 0.0000001900000000, 0.0003456900000000 ] - [ -0.0000005600000000, 0.0000006400000000, -0.0006566200000000 ] - [ -0.0000005400000000, 0.0000000300000000, 0.0003522800000000 ] - [ -0.0001831900000000, 0.0001057200000000, 0.0001459600000000 ] - [ 0.0000749500000000, 0.0000540300000000, -0.0000434200000000 ] - [ 0.0001861100000000, 0.0001057100000000, 0.0001476100000000 ] - [ -0.0000830300000000, -0.0000907400000000, -0.0001919300000000 ] - [ 0.0000122900000000, 0.0000368600000000, 0.0001039500000000 ] - [ 0.0000015300000000, -0.0002138600000000, 0.0001478000000000 ] - [ 0.0000618400000000, -0.0009262900000000, -0.0014278100000000 ] - [ 0.0026449900000000, 0.0002111600000000, -0.0002873800000000 ] - [ 0.0003390400000000, 0.0010806800000000, 0.0015325300000000 ] - [ 0.0243753000000000, 0.0126560700000000, 0.0173389100000000 ] - [ 0.0236019600000000, -0.0119960100000000, -0.0166963200000000 ] - [ -0.0015382000000000, -0.0001542600000000, 0.0000493900000000 ] - [ 0.0212619000000000, -0.0105295600000000, -0.0151595400000000 ] - [ -0.0014211800000000, 0.0000609700000000, -0.0000854200000000 ] - [ 0.0206090200000000, 0.0099731200000000, 0.0138987200000000 ] - [ -0.0001464100000000, 0.0007383000000000, 0.0011210800000000 ] - [ 0.0031846500000000, -0.0002008900000000, -0.0000805300000000 ] - [ -0.0000417500000000, -0.0007939500000000, -0.0012984300000000 ] - [ -0.0000138700000000, -0.0000090900000000, 0.0001890200000000 ] - [ -0.0000098200000000, 0.0000304100000000, 0.0001810800000000 ] - [ 0.0000797800000000, 0.0000213300000000, -0.0003117200000000 ] - [ 0.0000056600000000, 0.0000118200000000, 0.0002095100000000 ] - [ -0.0000113100000000, -0.0000009500000000, 0.0001710900000000 ] - [ 0.0000428300000000, -0.0000537500000000, -0.0000658100000000 ] - [ 0.0000989200000000, -0.0000567000000000, 0.0001146200000000 ] - [ -0.0000005300000000, -0.0001405800000000, 0.0001736800000000 ] - [ 0.0001212900000000, 0.0000707100000000, 0.0001743000000000 ] - [ -0.0000965200000000, -0.0000569000000000, 0.0001142100000000 ] - [ -0.0001230500000000, 0.0000711100000000, 0.0001751900000000 ] - [ 0.0000013700000000, 0.0001119000000000, 0.0001159000000000 ] - [ -0.0001833300000000, 0.0001006200000000, 0.0001377200000000 ] - [ -0.0000008100000000, 0.0000566000000000, -0.0000484600000000 ] - [ 0.0001901300000000, 0.0001138700000000, 0.0001610600000000 ] - [ -0.0000493600000000, -0.0000277200000000, -0.0000493300000000 ] - [ 0.0000501900000000, -0.0000289200000000, -0.0000481600000000 ] - [ -0.0000076300000000, -0.0002160000000000, 0.0001504100000000 ] - [ -0.0001341700000000, 0.0000775900000000, 0.0000508400000000 ] - [ 0.0000004600000000, 0.0001232500000000, -0.0002201200000000 ] - [ 0.0001313200000000, 0.0000760300000000, 0.0000483900000000 ] - [ -0.0001063300000000, -0.0000618900000000, -0.0002206700000000 ] - [ 0.0001085300000000, -0.0000626300000000, -0.0002221600000000 ] - [ -0.0000000800000000, -0.0001517000000000, 0.0000492100000000 ] - [ -0.0001108400000000, 0.0000639600000000, -0.0001306900000000 ] - [ 0.0000005900000000, 0.0000591300000000, -0.0000870200000000 ] - [ 0.0001096800000000, 0.0000640500000000, -0.0001318800000000 ] - [ -0.0000510900000000, -0.0000295800000000, -0.0000866100000000 ] - [ -0.0000007100000000, -0.0001269500000000, -0.0001321400000000 ] - [ 0.0000472700000000, -0.0000266100000000, -0.0000849900000000 ] - [ -0.0000008500000000, -0.0000089200000000, 0.0001896200000000 ] - [ -0.0000430100000000, 0.0000248500000000, -0.0000649800000000 ] - [ 0.0000465100000000, 0.0000270800000000, -0.0000628500000000 ] - [ 0.0000070600000000, 0.0000051000000000, 0.0001898200000000 ] - [ -0.0000095000000000, 0.0000055400000000, 0.0001920700000000 ] - [ -0.0000001500000000, -0.0000537100000000, -0.0000634500000000 ] - [ 0.0000971300000000, -0.0000561900000000, 0.0001155700000000 ] - [ 0.0000002000000000, -0.0001397500000000, 0.0001702700000000 ] - [ 0.0001208700000000, 0.0000699700000000, 0.0001693600000000 ] - [ -0.0000943500000000, -0.0000550600000000, 0.0001177700000000 ] - [ -0.0001217700000000, 0.0000707300000000, 0.0001730500000000 ] - [ 0.0000004200000000, 0.0001094800000000, 0.0001182100000000 ] - [ -0.0001832600000000, 0.0001057700000000, 0.0001457500000000 ] - [ -0.0000003300000000, 0.0000562600000000, -0.0000478800000000 ] - [ 0.0001851300000000, 0.0001058700000000, 0.0001473500000000 ] - [ -0.0000488700000000, -0.0000280200000000, -0.0000487300000000 ] - [ 0.0000501300000000, -0.0000289100000000, -0.0000479000000000 ] - [ 0.0000009000000000, -0.0002130800000000, 0.0001475500000000 ] - [ -0.0001329200000000, 0.0000768700000000, 0.0000499400000000 ] - [ 0.0000004100000000, 0.0001252200000000, -0.0002242500000000 ] - [ 0.0001304400000000, 0.0000754500000000, 0.0000478200000000 ] - [ -0.0001080300000000, -0.0000628300000000, -0.0002247800000000 ] - [ 0.0001103400000000, -0.0000637000000000, -0.0002263200000000 ] - [ -0.0000000200000000, -0.0001506900000000, 0.0000486200000000 ] - [ -0.0001089900000000, 0.0000628900000000, -0.0001366300000000 ] - [ -0.0000000300000000, 0.0000582000000000, -0.0000866200000000 ] - [ 0.0001081300000000, 0.0000630600000000, -0.0001376600000000 ] - [ -0.0000504100000000, -0.0000291100000000, -0.0000867700000000 ] - [ -0.0000006000000000, -0.0001251000000000, -0.0001379100000000 ] - [ 0.0000461100000000, -0.0000265800000000, -0.0000845100000000 ] - [ -0.0000007000000000, -0.0000104800000000, 0.0001915700000000 ] - [ -0.0000400500000000, 0.0000231400000000, -0.0000709900000000 ] - [ 0.0000435300000000, 0.0000253800000000, -0.0000688100000000 ] - [ 0.0000085100000000, 0.0000058100000000, 0.0001918500000000 ] - [ -0.0000105700000000, 0.0000061800000000, 0.0001938500000000 ] - [ -0.0000002000000000, -0.0000503100000000, -0.0000694000000000 ] - [ 0.0001001100000000, -0.0000578800000000, 0.0001118300000000 ] - [ -0.0000003500000000, -0.0001413200000000, 0.0001727100000000 ] - [ 0.0001220900000000, 0.0000710200000000, 0.0001732000000000 ] - [ -0.0000974000000000, -0.0000568900000000, 0.0001138200000000 ] - [ -0.0001237000000000, 0.0000715400000000, 0.0001744600000000 ] - [ 0.0000005000000000, 0.0001130300000000, 0.0001143500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0009767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126001300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007913300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0286731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0124324000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018347100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018954800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020909100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022497700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021276600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018932600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013610900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000975300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003382400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006849100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008650000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008779800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006804200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006883900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008634000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008803300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007979100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008678700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005687000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1448745000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020962800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020311000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014623700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019828500000000 ] - [ -0.0000356300000000, 0.0000205700000000, -0.0006686100000000 ] - [ 0.0000000000000000, 0.0000967500000000, -0.0010441600000000 ] - [ 0.0000356300000000, 0.0000205700000000, -0.0006686100000000 ] - [ -0.0000837900000000, -0.0000483800000000, -0.0010441600000000 ] - [ 0.0000837900000000, -0.0000483800000000, -0.0010441600000000 ] - [ 0.0000000000000000, -0.0000411400000000, -0.0006686100000000 ] - [ 0.0009119600000000, -0.0005265200000000, 0.0002570700000000 ] - [ 0.0000000000000000, -0.0239811400000000, 0.0266508800000000 ] - [ -0.0009119600000000, -0.0005265200000000, 0.0002570700000000 ] - [ 0.0207682700000000, 0.0119905700000000, 0.0266508800000000 ] - [ -0.0207682700000000, 0.0119905700000000, 0.0266508800000000 ] - [ 0.0000000000000000, 0.0010530400000000, 0.0002570700000000 ] - [ -0.0165842800000000, 0.0095749400000000, 0.0278674200000000 ] - [ 0.0000000000000000, 0.0004456500000000, -0.0002416900000000 ] - [ 0.0165842800000000, 0.0095749400000000, 0.0278674200000000 ] - [ -0.0003859400000000, -0.0002228300000000, -0.0002416900000000 ] - [ 0.0000000000000000, -0.0191498800000000, 0.0278674200000000 ] - [ 0.0003859400000000, -0.0002228300000000, -0.0002416900000000 ] - [ 0.0000000000000000, 0.0000369400000000, -0.0008467600000000 ] - [ -0.0001209000000000, 0.0000698000000000, -0.0010564600000000 ] - [ 0.0001209000000000, 0.0000698000000000, -0.0010564600000000 ] - [ -0.0000319900000000, -0.0000184700000000, -0.0008467600000000 ] - [ 0.0000319900000000, -0.0000184700000000, -0.0008467600000000 ] - [ 0.0000000000000000, -0.0001396100000000, -0.0010564600000000 ] - [ 0.0002312300000000, -0.0001335000000000, -0.0007068000000000 ] - [ 0.0000000000000000, -0.0001430100000000, -0.0008751800000000 ] - [ 0.0001238500000000, 0.0000715100000000, -0.0008751800000000 ] - [ -0.0002312300000000, -0.0001335000000000, -0.0007068000000000 ] - [ -0.0001238500000000, 0.0000715100000000, -0.0008751800000000 ] - [ 0.0000000000000000, 0.0002670000000000, -0.0007068000000000 ] - [ -0.0000319300000000, 0.0000184300000000, -0.0006611300000000 ] - [ 0.0000000000000000, 0.0002529000000000, -0.0010323000000000 ] - [ 0.0000319300000000, 0.0000184300000000, -0.0006611300000000 ] - [ -0.0002190200000000, -0.0001264500000000, -0.0010323000000000 ] - [ 0.0002190200000000, -0.0001264500000000, -0.0010323000000000 ] - [ 0.0000000000000000, -0.0000368700000000, -0.0006611300000000 ] - [ -0.0000402300000000, 0.0000232300000000, -0.0009643500000000 ] - [ 0.0000000000000000, 0.0002765100000000, -0.0010400500000000 ] - [ 0.0000402300000000, 0.0000232300000000, -0.0009643500000000 ] - [ -0.0002394600000000, -0.0001382500000000, -0.0010400500000000 ] - [ 0.0002394600000000, -0.0001382500000000, -0.0010400500000000 ] - [ 0.0000000000000000, -0.0000464600000000, -0.0009643500000000 ] - [ -0.0001202800000000, 0.0000694400000000, -0.0011804500000000 ] - [ 0.0000000000000000, 0.0000028100000000, -0.0009696200000000 ] - [ 0.0001202800000000, 0.0000694400000000, -0.0011804500000000 ] - [ -0.0000024400000000, -0.0000014100000000, -0.0009696200000000 ] - [ 0.0000000000000000, -0.0001388800000000, -0.0011804500000000 ] - [ 0.0000024400000000, -0.0000014100000000, -0.0009696200000000 ] - [ 0.0000000000000000, 0.0000165800000000, -0.0008538100000000 ] - [ 0.0000249000000000, -0.0000143700000000, -0.0009386600000000 ] - [ -0.0000249000000000, -0.0000143700000000, -0.0009386600000000 ] - [ -0.0000143600000000, -0.0000082900000000, -0.0008538100000000 ] - [ 0.0000143600000000, -0.0000082900000000, -0.0008538100000000 ] - [ 0.0000000000000000, 0.0000287500000000, -0.0009386600000000 ] - [ 0.0002300100000000, -0.0001328000000000, -0.0007035200000000 ] - [ 0.0000000000000000, -0.0001437300000000, -0.0008789600000000 ] - [ 0.0001244800000000, 0.0000718700000000, -0.0008789600000000 ] - [ -0.0002300100000000, -0.0001328000000000, -0.0007035200000000 ] - [ -0.0001244800000000, 0.0000718700000000, -0.0008789600000000 ] - [ 0.0000000000000000, 0.0002655900000000, -0.0007035200000000 ] - [ -0.0000356000000000, 0.0000205600000000, -0.0006697800000000 ] - [ 0.0000000000000000, 0.0002521500000000, -0.0010311100000000 ] - [ 0.0000356000000000, 0.0000205600000000, -0.0006697800000000 ] - [ -0.0002183700000000, -0.0001260800000000, -0.0010311100000000 ] - [ 0.0002183700000000, -0.0001260800000000, -0.0010311100000000 ] - [ 0.0000000000000000, -0.0000411100000000, -0.0006697800000000 ] - [ -0.0000406600000000, 0.0000234700000000, -0.0009645900000000 ] - [ 0.0000000000000000, 0.0002780500000000, -0.0010443500000000 ] - [ 0.0000406600000000, 0.0000234700000000, -0.0009645900000000 ] - [ -0.0002408000000000, -0.0001390300000000, -0.0010443500000000 ] - [ 0.0002408000000000, -0.0001390300000000, -0.0010443500000000 ] - [ 0.0000000000000000, -0.0000469500000000, -0.0009645900000000 ] - [ -0.0001184900000000, 0.0000684100000000, -0.0011859400000000 ] - [ 0.0000000000000000, 0.0000021200000000, -0.0009699700000000 ] - [ 0.0001184900000000, 0.0000684100000000, -0.0011859400000000 ] - [ -0.0000018400000000, -0.0000010600000000, -0.0009699700000000 ] - [ 0.0000000000000000, -0.0001368300000000, -0.0011859400000000 ] - [ 0.0000018400000000, -0.0000010600000000, -0.0009699700000000 ] - [ 0.0000000000000000, 0.0000146800000000, -0.0008505400000000 ] - [ 0.0000273500000000, -0.0000157900000000, -0.0009441400000000 ] - [ -0.0000273500000000, -0.0000157900000000, -0.0009441400000000 ] - [ -0.0000127100000000, -0.0000073400000000, -0.0008505400000000 ] - [ 0.0000127100000000, -0.0000073400000000, -0.0008505400000000 ] - [ 0.0000000000000000, 0.0000315800000000, -0.0009441400000000 ] - [ 0.0002331800000000, -0.0001346300000000, -0.0007066500000000 ] - [ 0.0000000000000000, -0.0001438200000000, -0.0008762800000000 ] - [ 0.0001245600000000, 0.0000719100000000, -0.0008762800000000 ] - [ -0.0002331800000000, -0.0001346300000000, -0.0007066500000000 ] - [ -0.0001245600000000, 0.0000719100000000, -0.0008762800000000 ] - [ 0.0000000000000000, 0.0002692500000000, -0.0007066500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0064049600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0123890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010389600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008147000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020138600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0283907300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0125872500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017079000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020124700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014118600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002263600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009304800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008962400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011126700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009237300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006937400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009266000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014510200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1437512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011466900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013458800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012764900000000 ] - [ -0.0003388800000000, 0.0001956500000000, 0.0009722300000000 ] - [ 0.0000000000000000, 0.0000039200000000, 0.0009615500000000 ] - [ 0.0003388800000000, 0.0001956500000000, 0.0009722300000000 ] - [ -0.0000033900000000, -0.0000019600000000, 0.0009615500000000 ] - [ 0.0000033900000000, -0.0000019600000000, 0.0009615500000000 ] - [ 0.0000000000000000, -0.0003913000000000, 0.0009722300000000 ] - [ -0.0011615900000000, 0.0006706500000000, -0.0001503300000000 ] - [ 0.0000000000000000, 0.0232608000000000, -0.0267663500000000 ] - [ 0.0011615900000000, 0.0006706500000000, -0.0001503300000000 ] - [ -0.0201444500000000, -0.0116304000000000, -0.0267663500000000 ] - [ 0.0201444500000000, -0.0116304000000000, -0.0267663500000000 ] - [ 0.0000000000000000, -0.0013412900000000, -0.0001503300000000 ] - [ 0.0171768400000000, -0.0099170500000000, -0.0284873700000000 ] - [ 0.0000000000000000, -0.0003313100000000, 0.0000629000000000 ] - [ -0.0171768400000000, -0.0099170500000000, -0.0284873700000000 ] - [ 0.0002869300000000, 0.0001656600000000, 0.0000629000000000 ] - [ 0.0000000000000000, 0.0198341000000000, -0.0284873700000000 ] - [ -0.0002869300000000, 0.0001656600000000, 0.0000629000000000 ] - [ 0.0000000000000000, -0.0000490200000000, 0.0012119800000000 ] - [ 0.0000335900000000, -0.0000193900000000, 0.0009281300000000 ] - [ -0.0000335900000000, -0.0000193900000000, 0.0009281300000000 ] - [ 0.0000424600000000, 0.0000245100000000, 0.0012119800000000 ] - [ -0.0000424600000000, 0.0000245100000000, 0.0012119800000000 ] - [ 0.0000000000000000, 0.0000387900000000, 0.0009281300000000 ] - [ -0.0000405100000000, 0.0000233900000000, 0.0009338500000000 ] - [ 0.0000000000000000, -0.0001346100000000, 0.0012224000000000 ] - [ 0.0001165700000000, 0.0000673000000000, 0.0012224000000000 ] - [ 0.0000405100000000, 0.0000233900000000, 0.0009338500000000 ] - [ -0.0001165700000000, 0.0000673000000000, 0.0012224000000000 ] - [ 0.0000000000000000, -0.0000467800000000, 0.0009338500000000 ] - [ -0.0003451200000000, 0.0001992500000000, 0.0009687600000000 ] - [ 0.0000000000000000, -0.0001432800000000, 0.0009386400000000 ] - [ 0.0003451200000000, 0.0001992500000000, 0.0009687600000000 ] - [ 0.0001240900000000, 0.0000716400000000, 0.0009386400000000 ] - [ -0.0001240900000000, 0.0000716400000000, 0.0009386400000000 ] - [ 0.0000000000000000, -0.0003985100000000, 0.0009687600000000 ] - [ -0.0002079600000000, 0.0001200600000000, 0.0010516100000000 ] - [ 0.0000000000000000, -0.0000348500000000, 0.0005981000000000 ] - [ 0.0002079600000000, 0.0001200600000000, 0.0010516100000000 ] - [ 0.0000301800000000, 0.0000174200000000, 0.0005981000000000 ] - [ -0.0000301800000000, 0.0000174200000000, 0.0005981000000000 ] - [ 0.0000000000000000, -0.0002401300000000, 0.0010516100000000 ] - [ -0.0000957500000000, 0.0000552800000000, 0.0009248700000000 ] - [ 0.0000000000000000, 0.0001096800000000, 0.0008053000000000 ] - [ 0.0000957500000000, 0.0000552800000000, 0.0009248700000000 ] - [ -0.0000949900000000, -0.0000548400000000, 0.0008053000000000 ] - [ 0.0000000000000000, -0.0001105600000000, 0.0009248700000000 ] - [ 0.0000949900000000, -0.0000548400000000, 0.0008053000000000 ] - [ 0.0000000000000000, -0.0000285000000000, 0.0012231900000000 ] - [ -0.0001151800000000, 0.0000665000000000, 0.0008122100000000 ] - [ 0.0001151800000000, 0.0000665000000000, 0.0008122100000000 ] - [ 0.0000246800000000, 0.0000142500000000, 0.0012231900000000 ] - [ -0.0000246800000000, 0.0000142500000000, 0.0012231900000000 ] - [ 0.0000000000000000, -0.0001330000000000, 0.0008122100000000 ] - [ -0.0000434300000000, 0.0000250700000000, 0.0009368400000000 ] - [ 0.0000000000000000, -0.0001320900000000, 0.0012189200000000 ] - [ 0.0001143900000000, 0.0000660400000000, 0.0012189200000000 ] - [ 0.0000434300000000, 0.0000250700000000, 0.0009368400000000 ] - [ -0.0001143900000000, 0.0000660400000000, 0.0012189200000000 ] - [ 0.0000000000000000, -0.0000501500000000, 0.0009368400000000 ] - [ -0.0003384100000000, 0.0001953800000000, 0.0009705500000000 ] - [ 0.0000000000000000, -0.0001425900000000, 0.0009390500000000 ] - [ 0.0003384100000000, 0.0001953800000000, 0.0009705500000000 ] - [ 0.0001234900000000, 0.0000713000000000, 0.0009390500000000 ] - [ -0.0001234900000000, 0.0000713000000000, 0.0009390500000000 ] - [ 0.0000000000000000, -0.0003907600000000, 0.0009705500000000 ] - [ -0.0002070100000000, 0.0001195200000000, 0.0010484600000000 ] - [ 0.0000000000000000, -0.0000333700000000, 0.0005912800000000 ] - [ 0.0002070100000000, 0.0001195200000000, 0.0010484600000000 ] - [ 0.0000289000000000, 0.0000166800000000, 0.0005912800000000 ] - [ -0.0000289000000000, 0.0000166800000000, 0.0005912800000000 ] - [ 0.0000000000000000, -0.0002390300000000, 0.0010484600000000 ] - [ -0.0000945700000000, 0.0000546000000000, 0.0009222100000000 ] - [ 0.0000000000000000, 0.0001083500000000, 0.0008092400000000 ] - [ 0.0000945700000000, 0.0000546000000000, 0.0009222100000000 ] - [ -0.0000938300000000, -0.0000541700000000, 0.0008092400000000 ] - [ 0.0000000000000000, -0.0001092000000000, 0.0009222100000000 ] - [ 0.0000938300000000, -0.0000541700000000, 0.0008092400000000 ] - [ 0.0000000000000000, -0.0000285600000000, 0.0012220100000000 ] - [ -0.0001128500000000, 0.0000651500000000, 0.0008064700000000 ] - [ 0.0001128500000000, 0.0000651500000000, 0.0008064700000000 ] - [ 0.0000247300000000, 0.0000142800000000, 0.0012220100000000 ] - [ -0.0000247300000000, 0.0000142800000000, 0.0012220100000000 ] - [ 0.0000000000000000, -0.0001303000000000, 0.0008064700000000 ] - [ -0.0000411900000000, 0.0000237800000000, 0.0009329600000000 ] - [ 0.0000000000000000, -0.0001340800000000, 0.0012205000000000 ] - [ 0.0001161200000000, 0.0000670400000000, 0.0012205000000000 ] - [ 0.0000411900000000, 0.0000237800000000, 0.0009329600000000 ] - [ -0.0001161200000000, 0.0000670400000000, 0.0012205000000000 ] - [ 0.0000000000000000, -0.0000475600000000, 0.0009329600000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002600000000, -0.0000000900000000, 0.0001169300000000 ] - [ -0.0000004900000000, 0.0000001200000000, -0.0000736500000000 ] - [ 0.0000004900000000, 0.0000000000000000, -0.0001452400000000 ] - [ -0.0022941500000000, -0.0000034900000000, 0.0000608100000000 ] - [ 0.0073083600000000, 0.0000494000000000, 0.0001141900000000 ] - [ 0.0000001900000000, -0.0000000600000000, 0.0001205000000000 ] - [ -0.0000005000000000, 0.0000001800000000, -0.0000708800000000 ] - [ -0.0000002700000000, 0.0000000700000000, -0.0001486600000000 ] - [ -0.0000003300000000, 0.0000001000000000, 0.0000688800000000 ] - [ 0.0000001500000000, -0.0000000700000000, 0.0001389300000000 ] - [ 0.0000623300000000, -0.0000003200000000, 0.0001205200000000 ] - [ -0.0000124800000000, 0.0000002700000000, -0.0000699500000000 ] - [ -0.0000000700000000, -0.0000000500000000, -0.0001456300000000 ] - [ 0.0000002000000000, -0.0000000100000000, 0.0000695500000000 ] - [ -0.0000001000000000, -0.0000000300000000, 0.0001402400000000 ] - [ -0.0056469400000000, 0.0000070600000000, 0.0001385500000000 ] - [ -0.0000003700000000, 0.0000000400000000, -0.0000520000000000 ] - [ -0.0000166000000000, -0.0000002300000000, 0.0000132900000000 ] - [ 0.0001910300000000, 0.0000003800000000, 0.0000589500000000 ] - [ 0.0150008600000000, -0.0001000500000000, -0.0001736800000000 ] - [ -0.0000003200000000, 0.0000000400000000, 0.0001178600000000 ] - [ 0.0000001000000000, -0.0000001900000000, -0.0000585800000000 ] - [ -0.0000000600000000, -0.0000000600000000, 0.0000065300000000 ] - [ 0.0000001000000000, -0.0000002000000000, 0.0000562100000000 ] - [ 0.0000000700000000, -0.0000001000000000, -0.0002218500000000 ] - [ 0.0000001800000000, -0.0000002100000000, 0.0001183600000000 ] - [ 0.0000022700000000, -0.0000000500000000, -0.0000519100000000 ] - [ -0.0000003000000000, 0.0000000000000000, 0.0000106500000000 ] - [ 0.0000000700000000, -0.0000001500000000, 0.0000609500000000 ] - [ -0.0000001700000000, 0.0000000400000000, -0.0002245200000000 ] - [ 0.0000005200000000, -0.0000003500000000, -0.0000094100000000 ] - [ -0.0000046900000000, 0.0000004200000000, -0.0002146700000000 ] - [ 0.0000343600000000, -0.0000014600000000, 0.0000522300000000 ] - [ 0.0066546400000000, 0.0000147200000000, -0.0002163900000000 ] - [ 0.0064078900000000, -0.0000139400000000, -0.0000323400000000 ] - [ 0.0000004200000000, -0.0000002700000000, -0.0000080500000000 ] - [ -0.0000006400000000, 0.0000002400000000, -0.0002162500000000 ] - [ 0.0000026400000000, -0.0000014600000000, 0.0000490700000000 ] - [ 0.0000002800000000, -0.0000000900000000, -0.0002146800000000 ] - [ -0.0000006800000000, 0.0000002500000000, -0.0000312600000000 ] - [ -0.0000029800000000, -0.0000004300000000, -0.0000065500000000 ] - [ -0.0000007500000000, 0.0000003100000000, -0.0002140200000000 ] - [ 0.0000030000000000, -0.0000016800000000, 0.0000506900000000 ] - [ 0.0000001600000000, 0.0000000000000000, -0.0002167900000000 ] - [ -0.0000008000000000, 0.0000003100000000, -0.0000302000000000 ] - [ 0.0000000700000000, -0.0000000500000000, 0.0004652700000000 ] - [ 0.0000001200000000, -0.0000002400000000, -0.0004684100000000 ] - [ -0.0007446900000000, -0.0000015500000000, 0.0003440500000000 ] - [ 0.0000010100000000, -0.0000000200000000, -0.0006555400000000 ] - [ -0.1192434700000000, -0.0000214600000000, 0.0002654100000000 ] - [ -0.0000003500000000, 0.0000003200000000, 0.0004743500000000 ] - [ 0.0000006400000000, -0.0000006100000000, -0.0004552900000000 ] - [ 0.0000002000000000, -0.0000000700000000, 0.0003410100000000 ] - [ -0.0000010300000000, 0.0000003000000000, -0.0006673800000000 ] - [ -0.0000005500000000, 0.0000004400000000, 0.0003476200000000 ] - [ -0.0007196900000000, 0.0000024100000000, 0.0004730700000000 ] - [ 0.0001028700000000, -0.0000005300000000, -0.0004548100000000 ] - [ -0.0000003700000000, 0.0000002200000000, 0.0003472300000000 ] - [ -0.0000002300000000, 0.0000006000000000, -0.0006560000000000 ] - [ 0.0000002800000000, -0.0000000200000000, 0.0003521600000000 ] - [ 0.0000151400000000, -0.0008200100000000, -0.0010774500000000 ] - [ -0.0000010000000000, 0.0000538100000000, -0.0000428200000000 ] - [ 0.0003812400000000, 0.0010349600000000, 0.0013777500000000 ] - [ -0.0000471200000000, -0.0000263100000000, -0.0000436400000000 ] - [ 0.0000474500000000, -0.0000274500000000, -0.0000421800000000 ] - [ -0.0014081700000000, -0.0002151500000000, 0.0001554700000000 ] - [ -0.0001319700000000, 0.0000761700000000, 0.0000507800000000 ] - [ 0.0000001600000000, 0.0001235300000000, -0.0002255100000000 ] - [ 0.0001292300000000, 0.0000747200000000, 0.0000485100000000 ] - [ -0.0001067000000000, -0.0000619300000000, -0.0002259700000000 ] - [ 0.0001085500000000, -0.0000628100000000, -0.0002276300000000 ] - [ -0.0000001200000000, -0.0001494500000000, 0.0000494100000000 ] - [ -0.0001086400000000, 0.0000630700000000, -0.0001320000000000 ] - [ -0.0000079100000000, 0.0000583400000000, -0.0000865400000000 ] - [ 0.0001074700000000, 0.0000624100000000, -0.0001365600000000 ] - [ -0.0000544400000000, -0.0000270000000000, -0.0000694800000000 ] - [ -0.0000000400000000, -0.0001242800000000, -0.0001352300000000 ] - [ 0.0000423800000000, -0.0000291000000000, -0.0001009400000000 ] - [ -0.0015475200000000, -0.0000090900000000, 0.0001826900000000 ] - [ -0.0000521600000000, 0.0000842000000000, 0.0000816800000000 ] - [ 0.0000352200000000, -0.0000332100000000, -0.0002125700000000 ] - [ 0.0001311700000000, 0.0009663100000000, 0.0016790300000000 ] - [ 0.0001064700000000, -0.0009577500000000, -0.0013054600000000 ] - [ 0.0000932200000000, -0.0000526500000000, -0.0000644900000000 ] - [ 0.0228857800000000, -0.0115572400000000, -0.0160824400000000 ] - [ 0.0030624300000000, -0.0002182600000000, 0.0002321000000000 ] - [ 0.0210741100000000, 0.0103094900000000, 0.0147358700000000 ] - [ 0.0236592300000000, 0.0122119400000000, 0.0173810400000000 ] - [ 0.0217262000000000, -0.0108711200000000, -0.0153960600000000 ] - [ 0.0026934500000000, 0.0001942300000000, 0.0000519600000000 ] - [ -0.0001872600000000, 0.0001080200000000, 0.0001518500000000 ] - [ -0.0000008900000000, 0.0000568500000000, -0.0000473300000000 ] - [ 0.0001888500000000, 0.0001080400000000, 0.0001534700000000 ] - [ -0.0000497200000000, -0.0000279500000000, -0.0000482200000000 ] - [ 0.0000503500000000, -0.0000291200000000, -0.0000469800000000 ] - [ 0.0000008300000000, -0.0002175400000000, 0.0001535900000000 ] - [ -0.0001304100000000, 0.0000752900000000, 0.0000464700000000 ] - [ 0.0000003800000000, 0.0001225100000000, -0.0002231700000000 ] - [ 0.0001274000000000, 0.0000737300000000, 0.0000441000000000 ] - [ -0.0001058500000000, -0.0000616200000000, -0.0002238000000000 ] - [ 0.0001079700000000, -0.0000624100000000, -0.0002254400000000 ] - [ -0.0000001600000000, -0.0001473100000000, 0.0000449300000000 ] - [ -0.0001107700000000, 0.0000639200000000, -0.0001279000000000 ] - [ -0.0000000500000000, 0.0000582400000000, -0.0000839000000000 ] - [ 0.0001094000000000, 0.0000639200000000, -0.0001291500000000 ] - [ -0.0000504700000000, -0.0000291900000000, -0.0000837200000000 ] - [ -0.0000007300000000, -0.0001267100000000, -0.0001294700000000 ] - [ 0.0000461600000000, -0.0000266600000000, -0.0000816200000000 ] - [ -0.0000007800000000, -0.0000079500000000, 0.0001863900000000 ] - [ -0.0000422200000000, 0.0000243400000000, -0.0000653700000000 ] - [ 0.0000455600000000, 0.0000265400000000, -0.0000632200000000 ] - [ 0.0000061500000000, 0.0000044800000000, 0.0001865800000000 ] - [ -0.0000086000000000, 0.0000049900000000, 0.0001886400000000 ] - [ -0.0000002100000000, -0.0000527800000000, -0.0000637900000000 ] - [ 0.0000965100000000, -0.0000558800000000, 0.0001138100000000 ] - [ -0.0000003800000000, -0.0001391700000000, 0.0001701200000000 ] - [ 0.0001201100000000, 0.0000698600000000, 0.0001705700000000 ] - [ -0.0000938900000000, -0.0000548200000000, 0.0001159300000000 ] - [ -0.0001215300000000, 0.0000702300000000, 0.0001715700000000 ] - [ 0.0000004000000000, 0.0001088400000000, 0.0001165100000000 ] - [ -0.0001856500000000, 0.0001070700000000, 0.0001494500000000 ] - [ 0.0000600300000000, 0.0000560800000000, -0.0000481000000000 ] - [ 0.0001872700000000, 0.0001071500000000, 0.0001510000000000 ] - [ -0.0000287200000000, -0.0000511300000000, -0.0003250800000000 ] - [ 0.0000699500000000, -0.0000054000000000, 0.0002305400000000 ] - [ 0.0000008000000000, -0.0002156600000000, 0.0001511300000000 ] - [ -0.0001277600000000, 0.0000662000000000, 0.0000317500000000 ] - [ 0.0000010100000000, 0.0001239100000000, -0.0002270700000000 ] - [ 0.0001291400000000, 0.0000822500000000, 0.0000590400000000 ] - [ -0.0001072200000000, -0.0000627700000000, -0.0002287400000000 ] - [ 0.0001091400000000, -0.0000627200000000, -0.0002282800000000 ] - [ -0.0000132200000000, -0.0001469800000000, 0.0000452000000000 ] - [ -0.0001086800000000, 0.0000626400000000, -0.0001340700000000 ] - [ -0.0000001500000000, 0.0000574000000000, -0.0000832500000000 ] - [ 0.0001075300000000, 0.0000628200000000, -0.0001348300000000 ] - [ -0.0000498200000000, -0.0000287100000000, -0.0000830300000000 ] - [ -0.0000007600000000, -0.0001245500000000, -0.0001352900000000 ] - [ 0.0000453100000000, -0.0000262000000000, -0.0000808400000000 ] - [ -0.0000006900000000, -0.0000091200000000, 0.0001876800000000 ] - [ -0.0000395800000000, 0.0000227900000000, -0.0000710200000000 ] - [ 0.0000429400000000, 0.0000250800000000, -0.0000688100000000 ] - [ 0.0000072600000000, 0.0000050300000000, 0.0001879700000000 ] - [ -0.0000093800000000, 0.0000054600000000, 0.0001897100000000 ] - [ -0.0000003100000000, -0.0000497700000000, -0.0000694000000000 ] - [ 0.0000989700000000, -0.0000573100000000, 0.0001101300000000 ] - [ -0.0000004600000000, -0.0001402300000000, 0.0001722600000000 ] - [ 0.0001210100000000, 0.0000704500000000, 0.0001727100000000 ] - [ -0.0000964600000000, -0.0000563200000000, 0.0001122100000000 ] - [ -0.0001228400000000, 0.0000709700000000, 0.0001740300000000 ] - [ 0.0000004100000000, 0.0001118400000000, 0.0001127400000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007871300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0129207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010096000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010766300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008945300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010100900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0118194400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0285641800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022342700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021085600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020760900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018823200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020570800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021126600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020810000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006687500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008537600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011178300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002914100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006729300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008581900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006768900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007910600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020775300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011702000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1419374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009587000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020254600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019728500000000 ] - [ 0.0002917300000000, -0.0001684300000000, 0.0000829600000000 ] - [ 0.0000000000000000, 0.0002484600000000, -0.0010259500000000 ] - [ -0.0002917300000000, -0.0001684300000000, 0.0000829600000000 ] - [ -0.0002151700000000, -0.0001242300000000, -0.0010259500000000 ] - [ 0.0002151700000000, -0.0001242300000000, -0.0010259500000000 ] - [ 0.0000000000000000, 0.0003368600000000, 0.0000829600000000 ] - [ -0.0000510300000000, 0.0000294600000000, -0.0009465100000000 ] - [ 0.0000000000000000, 0.0002922700000000, -0.0010437400000000 ] - [ 0.0000510300000000, 0.0000294600000000, -0.0009465100000000 ] - [ -0.0002531100000000, -0.0001461400000000, -0.0010437400000000 ] - [ 0.0002531100000000, -0.0001461400000000, -0.0010437400000000 ] - [ 0.0000000000000000, -0.0000589200000000, -0.0009465100000000 ] - [ -0.0001337900000000, 0.0000772500000000, -0.0011813300000000 ] - [ 0.0000000000000000, 0.0000246200000000, -0.0009642100000000 ] - [ 0.0001337900000000, 0.0000772500000000, -0.0011813300000000 ] - [ -0.0000213200000000, -0.0000123100000000, -0.0009642100000000 ] - [ 0.0000000000000000, -0.0001544900000000, -0.0011813300000000 ] - [ 0.0000213200000000, -0.0000123100000000, -0.0009642100000000 ] - [ 0.0000000000000000, 0.0010873800000000, 0.0003244900000000 ] - [ -0.0001274400000000, 0.0000735800000000, -0.0009770600000000 ] - [ 0.0001274400000000, 0.0000735800000000, -0.0009770600000000 ] - [ -0.0009417000000000, -0.0005436900000000, 0.0003244900000000 ] - [ 0.0009417000000000, -0.0005436900000000, 0.0003244900000000 ] - [ 0.0000000000000000, -0.0001471600000000, -0.0009770600000000 ] - [ -0.0202591100000000, 0.0116966000000000, 0.0268567900000000 ] - [ 0.0000000000000000, -0.0195947400000000, 0.0283645500000000 ] - [ 0.0169695500000000, 0.0097973700000000, 0.0283645500000000 ] - [ 0.0202591100000000, 0.0116966000000000, 0.0268567900000000 ] - [ -0.0169695500000000, 0.0097973700000000, 0.0283645500000000 ] - [ 0.0000000000000000, -0.0233932000000000, 0.0268567900000000 ] - [ -0.0000328200000000, 0.0000189500000000, -0.0006702700000000 ] - [ 0.0000000000000000, 0.0002512600000000, -0.0010304400000000 ] - [ 0.0000328200000000, 0.0000189500000000, -0.0006702700000000 ] - [ -0.0002176000000000, -0.0001256300000000, -0.0010304400000000 ] - [ 0.0002176000000000, -0.0001256300000000, -0.0010304400000000 ] - [ 0.0000000000000000, -0.0000379000000000, -0.0006702700000000 ] - [ -0.0000486300000000, 0.0000280800000000, -0.0009514700000000 ] - [ 0.0000000000000000, 0.0002838400000000, -0.0010364700000000 ] - [ 0.0000486300000000, 0.0000280800000000, -0.0009514700000000 ] - [ -0.0002458100000000, -0.0001419200000000, -0.0010364700000000 ] - [ 0.0002458100000000, -0.0001419200000000, -0.0010364700000000 ] - [ 0.0000000000000000, -0.0000561600000000, -0.0009514700000000 ] - [ -0.0001284600000000, 0.0000741600000000, -0.0011801100000000 ] - [ 0.0000000000000000, 0.0000046800000000, -0.0009751000000000 ] - [ 0.0001284600000000, 0.0000741600000000, -0.0011801100000000 ] - [ -0.0000040500000000, -0.0000023400000000, -0.0009751000000000 ] - [ 0.0000000000000000, -0.0001483300000000, -0.0011801100000000 ] - [ 0.0000040500000000, -0.0000023400000000, -0.0009751000000000 ] - [ 0.0000000000000000, 0.0000075600000000, -0.0008322300000000 ] - [ 0.0000270700000000, -0.0000156300000000, -0.0009370600000000 ] - [ -0.0000270700000000, -0.0000156300000000, -0.0009370600000000 ] - [ -0.0000065400000000, -0.0000037800000000, -0.0008322300000000 ] - [ 0.0000065400000000, -0.0000037800000000, -0.0008322300000000 ] - [ 0.0000000000000000, 0.0000312600000000, -0.0009370600000000 ] - [ 0.0002359400000000, -0.0001362200000000, -0.0006983200000000 ] - [ 0.0000000000000000, -0.0001495000000000, -0.0008694900000000 ] - [ 0.0001294700000000, 0.0000747500000000, -0.0008694900000000 ] - [ -0.0002359400000000, -0.0001362200000000, -0.0006983200000000 ] - [ -0.0001294700000000, 0.0000747500000000, -0.0008694900000000 ] - [ 0.0000000000000000, 0.0002724300000000, -0.0006983200000000 ] - [ -0.0000315500000000, 0.0000182200000000, -0.0006731800000000 ] - [ 0.0000000000000000, 0.0000202500000000, -0.0011066000000000 ] - [ 0.0000315500000000, 0.0000182200000000, -0.0006731800000000 ] - [ -0.0000175400000000, -0.0000101200000000, -0.0011066000000000 ] - [ 0.0000175400000000, -0.0000101200000000, -0.0011066000000000 ] - [ 0.0000000000000000, -0.0000364300000000, -0.0006731800000000 ] - [ -0.0000444400000000, 0.0000256600000000, -0.0009464100000000 ] - [ 0.0000000000000000, 0.0002847600000000, -0.0010407100000000 ] - [ 0.0000444400000000, 0.0000256600000000, -0.0009464100000000 ] - [ -0.0002466100000000, -0.0001423800000000, -0.0010407100000000 ] - [ 0.0002466100000000, -0.0001423800000000, -0.0010407100000000 ] - [ 0.0000000000000000, -0.0000513200000000, -0.0009464100000000 ] - [ -0.0001261000000000, 0.0000728100000000, -0.0011858200000000 ] - [ 0.0000000000000000, 0.0000038100000000, -0.0009749500000000 ] - [ 0.0001261000000000, 0.0000728100000000, -0.0011858200000000 ] - [ -0.0000033000000000, -0.0000019100000000, -0.0009749500000000 ] - [ 0.0000000000000000, -0.0001456100000000, -0.0011858200000000 ] - [ 0.0000033000000000, -0.0000019100000000, -0.0009749500000000 ] - [ 0.0000000000000000, 0.0000061400000000, -0.0008298700000000 ] - [ 0.0000302200000000, -0.0000174500000000, -0.0009429800000000 ] - [ -0.0000302200000000, -0.0000174500000000, -0.0009429800000000 ] - [ -0.0000053200000000, -0.0000030700000000, -0.0008298700000000 ] - [ 0.0000053200000000, -0.0000030700000000, -0.0008298700000000 ] - [ 0.0000000000000000, 0.0000348900000000, -0.0009429800000000 ] - [ 0.0002385200000000, -0.0001377100000000, -0.0007016300000000 ] - [ 0.0000000000000000, -0.0001510900000000, -0.0008670400000000 ] - [ 0.0001308500000000, 0.0000755400000000, -0.0008670400000000 ] - [ -0.0002385200000000, -0.0001377100000000, -0.0007016300000000 ] - [ -0.0001308500000000, 0.0000755400000000, -0.0008670400000000 ] - [ 0.0000000000000000, 0.0002754200000000, -0.0007016300000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010372800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0132780200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008108300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010348100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010849400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008731200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007983100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010391700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0117540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021113900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0279541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020981300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023245900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008930300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011004900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007462800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003254700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008909200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009225400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004950600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022895800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1429526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011365500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023662700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012681500000000 ] - [ -0.0006513200000000, 0.0003760400000000, 0.0001924700000000 ] - [ 0.0000000000000000, -0.0001462700000000, 0.0009332300000000 ] - [ 0.0006513200000000, 0.0003760400000000, 0.0001924700000000 ] - [ 0.0001266800000000, 0.0000731400000000, 0.0009332300000000 ] - [ -0.0001266800000000, 0.0000731400000000, 0.0009332300000000 ] - [ 0.0000000000000000, -0.0007520800000000, 0.0001924700000000 ] - [ -0.0002139300000000, 0.0001235100000000, 0.0010550700000000 ] - [ 0.0000000000000000, -0.0000261800000000, 0.0005871500000000 ] - [ 0.0002139300000000, 0.0001235100000000, 0.0010550700000000 ] - [ 0.0000226700000000, 0.0000130900000000, 0.0005871500000000 ] - [ -0.0000226700000000, 0.0000130900000000, 0.0005871500000000 ] - [ 0.0000000000000000, -0.0002470300000000, 0.0010550700000000 ] - [ -0.0000975900000000, 0.0000563400000000, 0.0009153600000000 ] - [ 0.0000000000000000, 0.0000903000000000, 0.0007838400000000 ] - [ 0.0000975900000000, 0.0000563400000000, 0.0009153600000000 ] - [ -0.0000782000000000, -0.0000451500000000, 0.0007838400000000 ] - [ 0.0000000000000000, -0.0001126800000000, 0.0009153600000000 ] - [ 0.0000782000000000, -0.0000451500000000, 0.0007838400000000 ] - [ 0.0000000000000000, -0.0011109500000000, 0.0000784000000000 ] - [ 0.0000390300000000, -0.0000225400000000, 0.0008431500000000 ] - [ -0.0000390300000000, -0.0000225400000000, 0.0008431500000000 ] - [ 0.0009621100000000, 0.0005554800000000, 0.0000784000000000 ] - [ -0.0009621100000000, 0.0005554800000000, 0.0000784000000000 ] - [ 0.0000000000000000, 0.0000450700000000, 0.0008431500000000 ] - [ 0.0196349200000000, -0.0113362200000000, -0.0262922000000000 ] - [ 0.0000000000000000, 0.0202454300000000, -0.0283656800000000 ] - [ -0.0175330500000000, -0.0101227100000000, -0.0283656800000000 ] - [ -0.0196349200000000, -0.0113362200000000, -0.0262922000000000 ] - [ 0.0175330500000000, -0.0101227100000000, -0.0283656800000000 ] - [ 0.0000000000000000, 0.0226724500000000, -0.0262922000000000 ] - [ -0.0003341500000000, 0.0001929200000000, 0.0009643000000000 ] - [ 0.0000000000000000, -0.0001439100000000, 0.0009286800000000 ] - [ 0.0003341500000000, 0.0001929200000000, 0.0009643000000000 ] - [ 0.0001246300000000, 0.0000719600000000, 0.0009286800000000 ] - [ -0.0001246300000000, 0.0000719600000000, 0.0009286800000000 ] - [ 0.0000000000000000, -0.0003858400000000, 0.0009643000000000 ] - [ -0.0002120000000000, 0.0001224000000000, 0.0010503300000000 ] - [ 0.0000000000000000, -0.0000273500000000, 0.0005895700000000 ] - [ 0.0002120000000000, 0.0001224000000000, 0.0010503300000000 ] - [ 0.0000236900000000, 0.0000136800000000, 0.0005895700000000 ] - [ -0.0000236900000000, 0.0000136800000000, 0.0005895700000000 ] - [ 0.0000000000000000, -0.0002448000000000, 0.0010503300000000 ] - [ -0.0001016300000000, 0.0000586700000000, 0.0009201400000000 ] - [ 0.0000000000000000, 0.0001096900000000, 0.0008003600000000 ] - [ 0.0001016300000000, 0.0000586700000000, 0.0009201400000000 ] - [ -0.0000949900000000, -0.0000548400000000, 0.0008003600000000 ] - [ 0.0000000000000000, -0.0001173500000000, 0.0009201400000000 ] - [ 0.0000949900000000, -0.0000548400000000, 0.0008003600000000 ] - [ 0.0000000000000000, -0.0000316400000000, 0.0012227700000000 ] - [ -0.0001138300000000, 0.0000657200000000, 0.0008061600000000 ] - [ 0.0001138300000000, 0.0000657200000000, 0.0008061600000000 ] - [ 0.0000274000000000, 0.0000158200000000, 0.0012227700000000 ] - [ -0.0000274000000000, 0.0000158200000000, 0.0012227700000000 ] - [ 0.0000000000000000, -0.0001314400000000, 0.0008061600000000 ] - [ -0.0000385400000000, 0.0000222500000000, 0.0009306900000000 ] - [ 0.0000000000000000, -0.0001377400000000, 0.0012153300000000 ] - [ 0.0001192800000000, 0.0000688700000000, 0.0012153300000000 ] - [ 0.0000385400000000, 0.0000222500000000, 0.0009306900000000 ] - [ -0.0001192800000000, 0.0000688700000000, 0.0012153300000000 ] - [ 0.0000000000000000, -0.0000445000000000, 0.0009306900000000 ] - [ -0.0003320000000000, 0.0001916800000000, 0.0009608500000000 ] - [ 0.0000000000000000, 0.0000927700000000, 0.0010045700000000 ] - [ 0.0003320000000000, 0.0001916800000000, 0.0009608500000000 ] - [ -0.0000803400000000, -0.0000463900000000, 0.0010045700000000 ] - [ 0.0000803400000000, -0.0000463900000000, 0.0010045700000000 ] - [ 0.0000000000000000, -0.0003833600000000, 0.0009608500000000 ] - [ -0.0002195500000000, 0.0001267600000000, 0.0010483400000000 ] - [ 0.0000000000000000, -0.0000250500000000, 0.0005854300000000 ] - [ 0.0002195500000000, 0.0001267600000000, 0.0010483400000000 ] - [ 0.0000217000000000, 0.0000125300000000, 0.0005854300000000 ] - [ -0.0000217000000000, 0.0000125300000000, 0.0005854300000000 ] - [ 0.0000000000000000, -0.0002535200000000, 0.0010483400000000 ] - [ -0.0000994200000000, 0.0000574000000000, 0.0009141100000000 ] - [ 0.0000000000000000, 0.0001087400000000, 0.0008003400000000 ] - [ 0.0000994200000000, 0.0000574000000000, 0.0009141100000000 ] - [ -0.0000941700000000, -0.0000543700000000, 0.0008003400000000 ] - [ 0.0000000000000000, -0.0001148100000000, 0.0009141100000000 ] - [ 0.0000941700000000, -0.0000543700000000, 0.0008003400000000 ] - [ 0.0000000000000000, -0.0000318500000000, 0.0012241400000000 ] - [ -0.0001117800000000, 0.0000645400000000, 0.0008013900000000 ] - [ 0.0001117800000000, 0.0000645400000000, 0.0008013900000000 ] - [ 0.0000275800000000, 0.0000159200000000, 0.0012241400000000 ] - [ -0.0000275800000000, 0.0000159200000000, 0.0012241400000000 ] - [ 0.0000000000000000, -0.0001290700000000, 0.0008013900000000 ] - [ -0.0000366100000000, 0.0000211400000000, 0.0009278300000000 ] - [ 0.0000000000000000, -0.0001382500000000, 0.0012170200000000 ] - [ 0.0001197300000000, 0.0000691300000000, 0.0012170200000000 ] - [ 0.0000366100000000, 0.0000211400000000, 0.0009278300000000 ] - [ -0.0001197300000000, 0.0000691300000000, 0.0012170200000000 ] - [ 0.0000000000000000, -0.0000422700000000, 0.0009278300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000400000000, -0.0000000400000000, 0.0002043700000000 ] - [ -0.0000008000000000, 0.0000003200000000, 0.0000140200000000 ] - [ -0.0000002700000000, -0.0000000200000000, -0.0000581200000000 ] - [ 0.0000014000000000, -0.0000061000000000, 0.0001513800000000 ] - [ 0.0012953700000000, -0.0002268300000000, 0.0002165400000000 ] - [ 0.0000000100000000, -0.0000000600000000, 0.0002081500000000 ] - [ -0.0000003700000000, 0.0000001700000000, 0.0000170500000000 ] - [ -0.0000004400000000, 0.0000002700000000, -0.0000616100000000 ] - [ -0.0000005700000000, 0.0000002200000000, 0.0001554400000000 ] - [ -0.0000001800000000, -0.0000001400000000, 0.0002267200000000 ] - [ -0.0001914800000000, 0.0005416900000000, -0.0016221600000000 ] - [ -0.0000180600000000, 0.0001243200000000, 0.0001191000000000 ] - [ -0.0000005300000000, 0.0000006600000000, -0.0000578600000000 ] - [ -0.0000003000000000, -0.0000000300000000, 0.0001563800000000 ] - [ -0.0000004800000000, 0.0000000100000000, 0.0002279500000000 ] - [ 0.0026574500000000, -0.0017796900000000, -0.0028962900000000 ] - [ -0.0000004500000000, 0.0000001300000000, 0.0001438400000000 ] - [ -0.0000001200000000, -0.0000002600000000, 0.0002115500000000 ] - [ -0.0000007800000000, 0.0000018000000000, 0.0002471600000000 ] - [ -0.0000551000000000, 0.0002544100000000, 0.0002148800000000 ] - [ -0.0000004600000000, 0.0000000900000000, 0.0003140500000000 ] - [ -0.0000000800000000, -0.0000001000000000, 0.0001381500000000 ] - [ -0.0000002300000000, -0.0000000500000000, 0.0002043100000000 ] - [ -0.0000000200000000, -0.0000001000000000, 0.0002442200000000 ] - [ -0.0000002300000000, -0.0000000500000000, -0.0000261800000000 ] - [ -0.0000001200000000, -0.0000001300000000, 0.0003143900000000 ] - [ 0.0000075000000000, -0.0000232700000000, 0.0001468400000000 ] - [ -0.0000004200000000, -0.0000001800000000, 0.0002087800000000 ] - [ -0.0000001600000000, -0.0000000800000000, 0.0002488400000000 ] - [ -0.0000004500000000, 0.0000001200000000, -0.0000286500000000 ] - [ 0.0000003200000000, -0.0000003200000000, 0.0000741600000000 ] - [ -0.0000012200000000, 0.0000004500000000, -0.0001316600000000 ] - [ 0.0000024100000000, -0.0000012300000000, 0.0001217100000000 ] - [ -0.0000081700000000, 0.0000282500000000, -0.0001857000000000 ] - [ 0.0016478300000000, 0.0007146100000000, -0.0013696000000000 ] - [ 0.0000001500000000, -0.0000002300000000, 0.0000752700000000 ] - [ -0.0000009200000000, 0.0000003100000000, -0.0001330200000000 ] - [ 0.0000023800000000, -0.0000014100000000, 0.0001187600000000 ] - [ -0.0000000100000000, -0.0000000300000000, -0.0001312300000000 ] - [ -0.0000009300000000, 0.0000003000000000, 0.0000519100000000 ] - [ -0.0000153300000000, 0.0000407600000000, 0.0000058600000000 ] - [ -0.0000010900000000, 0.0000006800000000, -0.0001312100000000 ] - [ 0.0000027400000000, -0.0000016400000000, 0.0001206100000000 ] - [ -0.0000001700000000, 0.0000000600000000, -0.0001334900000000 ] - [ -0.0000010700000000, 0.0000003800000000, 0.0000528300000000 ] - [ -0.0000002100000000, 0.0000000800000000, 0.0006136100000000 ] - [ 0.0000000700000000, -0.0000002200000000, -0.0002890800000000 ] - [ 0.0000017800000000, -0.0000073300000000, 0.0004976400000000 ] - [ 0.0000002000000000, 0.0000004100000000, -0.0005030700000000 ] - [ 0.0002020500000000, -0.0009245300000000, 0.0008231600000000 ] - [ -0.0000005900000000, 0.0000003700000000, 0.0006234300000000 ] - [ 0.0000007600000000, -0.0000004800000000, -0.0002760500000000 ] - [ -0.0000001300000000, 0.0000000500000000, 0.0004921700000000 ] - [ -0.0000008500000000, 0.0000004300000000, -0.0005156600000000 ] - [ -0.0000011300000000, 0.0000005700000000, 0.0004987100000000 ] - [ 0.0239427500000000, -0.0122847000000000, -0.0202179400000000 ] - [ 0.0003846900000000, -0.0012745000000000, 0.0001550200000000 ] - [ -0.0000006600000000, 0.0000002800000000, 0.0004990100000000 ] - [ 0.0000017300000000, -0.0000063400000000, -0.0004979900000000 ] - [ -0.0000003200000000, -0.0000000200000000, 0.0005034000000000 ] - [ -0.0564095400000000, 0.0198834400000000, 0.0283593200000000 ] - [ -0.0000012600000000, 0.0000690300000000, -0.0001321000000000 ] - [ 0.0235338200000000, 0.0020974500000000, 0.0039735100000000 ] - [ -0.0000605400000000, -0.0000338600000000, -0.0001329700000000 ] - [ 0.0000602900000000, -0.0000349700000000, -0.0001314200000000 ] - [ 0.0037627600000000, -0.0135038500000000, 0.0033839300000000 ] - [ -0.0001226000000000, 0.0000706900000000, -0.0000440900000000 ] - [ 0.0000000100000000, 0.0001377800000000, -0.0002996000000000 ] - [ 0.0001194200000000, 0.0000692300000000, -0.0000462700000000 ] - [ -0.0001192200000000, -0.0000690000000000, -0.0003000600000000 ] - [ 0.0001205800000000, -0.0000697900000000, -0.0003016300000000 ] - [ -0.0000003400000000, -0.0001382900000000, -0.0000454400000000 ] - [ -0.0001100200000000, 0.0000634700000000, -0.0002324500000000 ] - [ -0.0000002000000000, 0.0000530500000000, -0.0001717200000000 ] - [ 0.0001079600000000, 0.0000633100000000, -0.0002340600000000 ] - [ -0.0000458400000000, -0.0000263900000000, -0.0001714600000000 ] - [ -0.0000009700000000, -0.0001254200000000, -0.0002342300000000 ] - [ 0.0000414300000000, -0.0000240900000000, -0.0001691300000000 ] - [ 0.0000008400000000, -0.0000158100000000, 0.0000643900000000 ] - [ -0.0000342500000000, 0.0000204400000000, -0.0001474000000000 ] - [ 0.0000370500000000, 0.0000229000000000, -0.0001448300000000 ] - [ 0.0000129000000000, 0.0000042100000000, 0.0000898800000000 ] - [ -0.0000156600000000, 0.0000059300000000, 0.0000990700000000 ] - [ -0.0000007500000000, -0.0000442600000000, -0.0001439400000000 ] - [ 0.0004469000000000, -0.0001196700000000, -0.0000645400000000 ] - [ 0.0018445300000000, 0.0019363700000000, -0.0037526400000000 ] - [ -0.0008634200000000, -0.0003734800000000, -0.0000703200000000 ] - [ -0.0003716000000000, -0.0000731600000000, 0.0000189600000000 ] - [ 0.0002867100000000, 0.0000677000000000, 0.0005363200000000 ] - [ -0.0000297600000000, 0.0002597700000000, 0.0001576700000000 ] - [ -0.0001724300000000, 0.0000993700000000, 0.0000757700000000 ] - [ -0.0000011700000000, 0.0000730600000000, -0.0001375700000000 ] - [ 0.0001735300000000, 0.0000993800000000, 0.0000774300000000 ] - [ -0.0000639300000000, -0.0000359300000000, -0.0001384200000000 ] - [ 0.0000640100000000, -0.0000371100000000, -0.0001372400000000 ] - [ 0.0000005900000000, -0.0002000700000000, 0.0000775900000000 ] - [ -0.0001208200000000, 0.0000696900000000, -0.0000484800000000 ] - [ 0.0000001300000000, 0.0001357100000000, -0.0002963200000000 ] - [ 0.0001173400000000, 0.0000681400000000, -0.0000508400000000 ] - [ -0.0001174200000000, -0.0000680900000000, -0.0002968500000000 ] - [ 0.0001189600000000, -0.0000688300000000, -0.0002984700000000 ] - [ -0.0000004100000000, -0.0001359800000000, -0.0000499700000000 ] - [ -0.0001111700000000, 0.0000640500000000, -0.0002280000000000 ] - [ -0.0000003000000000, 0.0000530100000000, -0.0001686300000000 ] - [ 0.0001092800000000, 0.0000640700000000, -0.0002292500000000 ] - [ -0.0000461500000000, -0.0000265000000000, -0.0001684600000000 ] - [ -0.0000010000000000, -0.0001268800000000, -0.0002295500000000 ] - [ 0.0000413000000000, -0.0000239300000000, -0.0001663900000000 ] - [ -0.0000011400000000, -0.0000051000000000, 0.0000914600000000 ] - [ -0.0000358000000000, 0.0000205300000000, -0.0001456600000000 ] - [ 0.0000385800000000, 0.0000227300000000, -0.0001435100000000 ] - [ 0.0000034800000000, 0.0000032600000000, 0.0000916800000000 ] - [ -0.0000065700000000, 0.0000037200000000, 0.0000939100000000 ] - [ -0.0000004900000000, -0.0000449500000000, -0.0001440800000000 ] - [ 0.0001083900000000, -0.0000627600000000, 0.0000397100000000 ] - [ -0.0000006200000000, -0.0001391400000000, 0.0000727900000000 ] - [ 0.0001198600000000, 0.0000698900000000, 0.0000732200000000 ] - [ -0.0001062200000000, -0.0000617200000000, 0.0000417600000000 ] - [ -0.0001217900000000, 0.0000703000000000, 0.0000742300000000 ] - [ 0.0000001500000000, 0.0001228200000000, 0.0000423000000000 ] - [ -0.0001703900000000, 0.0000981700000000, 0.0000729200000000 ] - [ 0.0016223800000000, 0.0053598500000000, -0.0059619500000000 ] - [ 0.0001714700000000, 0.0000982200000000, 0.0000745000000000 ] - [ -0.0034295600000000, -0.0011225200000000, -0.0010120300000000 ] - [ -0.0002675900000000, 0.0003499000000000, 0.0011049500000000 ] - [ 0.0000005500000000, -0.0001977200000000, 0.0000746800000000 ] - [ 0.0003450000000000, -0.0000449200000000, -0.0002365300000000 ] - [ 0.0000031700000000, 0.0001409400000000, -0.0003198000000000 ] - [ -0.0002509600000000, 0.0000291000000000, -0.0001267700000000 ] - [ -0.0001132100000000, -0.0000744200000000, -0.0003034000000000 ] - [ 0.0001137600000000, -0.0000716600000000, -0.0002987400000000 ] - [ -0.0000384900000000, 0.0000833800000000, 0.0000797900000000 ] - [ -0.0001078300000000, 0.0000627700000000, -0.0002346500000000 ] - [ -0.0000003600000000, 0.0000521000000000, -0.0001685600000000 ] - [ 0.0001060900000000, 0.0000630300000000, -0.0002348500000000 ] - [ -0.0000453600000000, -0.0000260400000000, -0.0001682500000000 ] - [ -0.0000011400000000, -0.0001235300000000, -0.0002328000000000 ] - [ 0.0000409900000000, -0.0000238500000000, -0.0001656800000000 ] - [ -0.0000010700000000, -0.0000060000000000, 0.0000931400000000 ] - [ -0.0000335500000000, 0.0000192200000000, -0.0001505400000000 ] - [ 0.0000363300000000, 0.0000214800000000, -0.0001483700000000 ] - [ 0.0000043000000000, 0.0000036400000000, 0.0000933700000000 ] - [ -0.0000070700000000, 0.0000039900000000, 0.0000953800000000 ] - [ -0.0000005700000000, -0.0000424000000000, -0.0001489100000000 ] - [ 0.0001107000000000, -0.0000641500000000, 0.0000364500000000 ] - [ -0.0000007200000000, -0.0001404100000000, 0.0000751200000000 ] - [ 0.0001209300000000, 0.0000706100000000, 0.0000755800000000 ] - [ -0.0001086800000000, -0.0000631700000000, 0.0000384200000000 ] - [ -0.0001233100000000, 0.0000711500000000, 0.0000768800000000 ] - [ 0.0000001600000000, 0.0001256900000000, 0.0000389300000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006300000000, -0.0000001200000000, 0.0000310700000000 ] - [ 0.0000001500000000, -0.0000000600000000, -0.0001641200000000 ] - [ -0.0000001300000000, 0.0000001400000000, -0.0002323300000000 ] - [ -0.0000017100000000, 0.0000063200000000, -0.0000123900000000 ] - [ -0.0012571600000000, 0.0002091100000000, 0.0001123300000000 ] - [ 0.0000002500000000, 0.0000000700000000, 0.0000345600000000 ] - [ -0.0000005900000000, 0.0000002700000000, -0.0001617200000000 ] - [ -0.0000001300000000, -0.0000000500000000, -0.0002356800000000 ] - [ -0.0000000500000000, 0.0000000700000000, -0.0000198000000000 ] - [ 0.0000000300000000, 0.0000000600000000, 0.0000515800000000 ] - [ 0.0001669300000000, -0.0005372100000000, 0.0018495500000000 ] - [ 0.0000180000000000, -0.0001232000000000, -0.0002624100000000 ] - [ 0.0000003400000000, -0.0000006600000000, -0.0002332000000000 ] - [ 0.0000000900000000, 0.0000000400000000, -0.0000189900000000 ] - [ 0.0000002200000000, 0.0000000300000000, 0.0000528200000000 ] - [ -0.0026439400000000, 0.0018226500000000, 0.0031382900000000 ] - [ 0.0000000600000000, 0.0000000400000000, -0.0002494300000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0001800600000000 ] - [ 0.0000002000000000, -0.0000016500000000, -0.0001315700000000 ] - [ 0.0000521000000000, -0.0002562100000000, -0.0006600300000000 ] - [ -0.0000001800000000, 0.0000000600000000, -0.0000798800000000 ] - [ 0.0000003500000000, -0.0000001700000000, -0.0002551600000000 ] - [ -0.0000001800000000, 0.0000000000000000, -0.0001874300000000 ] - [ 0.0000003000000000, -0.0000002200000000, -0.0001330100000000 ] - [ 0.0000001900000000, 0.0000000000000000, -0.0004188500000000 ] - [ 0.0000001800000000, -0.0000001800000000, -0.0000793400000000 ] - [ -0.0000078500000000, 0.0000231000000000, -0.0002512200000000 ] - [ -0.0000003400000000, 0.0000002900000000, -0.0001825700000000 ] - [ 0.0000002100000000, -0.0000001300000000, -0.0001283900000000 ] - [ -0.0000000800000000, 0.0000000900000000, -0.0004214200000000 ] - [ 0.0000006500000000, -0.0000003400000000, -0.0000906500000000 ] - [ -0.0000008600000000, 0.0000004700000000, -0.0002967300000000 ] - [ 0.0000028400000000, -0.0000017200000000, -0.0000156900000000 ] - [ 0.0000074200000000, -0.0000282200000000, -0.0002437300000000 ] - [ -0.0019700300000000, -0.0005413900000000, 0.0015568000000000 ] - [ 0.0000004900000000, -0.0000002600000000, -0.0000895200000000 ] - [ -0.0000005400000000, 0.0000002600000000, -0.0002980100000000 ] - [ 0.0000026900000000, -0.0000014200000000, -0.0000192200000000 ] - [ 0.0000003300000000, -0.0000000500000000, -0.0002988400000000 ] - [ -0.0000006000000000, 0.0000002700000000, -0.0001140100000000 ] - [ 0.0000169800000000, -0.0000412700000000, -0.0000161300000000 ] - [ -0.0000005200000000, 0.0000000000000000, -0.0002957500000000 ] - [ 0.0000030400000000, -0.0000016000000000, -0.0000178200000000 ] - [ 0.0000001700000000, 0.0000000400000000, -0.0003008800000000 ] - [ -0.0000007300000000, 0.0000003400000000, -0.0001129600000000 ] - [ 0.0000000800000000, -0.0000000800000000, 0.0003140400000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0006439500000000 ] - [ -0.0000010200000000, 0.0000070100000000, 0.0001749200000000 ] - [ 0.0000003700000000, -0.0000001000000000, -0.0008060400000000 ] - [ -0.0001920400000000, 0.0009304600000000, -0.0001200600000000 ] - [ -0.0000005300000000, 0.0000002500000000, 0.0003232600000000 ] - [ 0.0000008200000000, -0.0000006200000000, -0.0006308200000000 ] - [ 0.0000001700000000, -0.0000001300000000, 0.0001794000000000 ] - [ -0.0000004500000000, 0.0000002600000000, -0.0008185700000000 ] - [ -0.0000010000000000, 0.0000004200000000, 0.0001971500000000 ] - [ -0.0228986000000000, 0.0115092500000000, 0.0200745300000000 ] - [ -0.0003938100000000, 0.0012670000000000, -0.0010634100000000 ] - [ -0.0000000900000000, 0.0000001500000000, 0.0001862800000000 ] - [ -0.0000029400000000, 0.0000069400000000, -0.0008116300000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0002016900000000 ] - [ 0.0553347300000000, -0.0191322400000000, -0.0272591500000000 ] - [ -0.0000009400000000, 0.0000346700000000, 0.0000494700000000 ] - [ -0.0231184000000000, -0.0018725000000000, -0.0036526400000000 ] - [ -0.0000304400000000, -0.0000166900000000, 0.0000486400000000 ] - [ 0.0000309000000000, -0.0000178100000000, 0.0000500000000000 ] - [ -0.0037686000000000, 0.0130503600000000, -0.0030666000000000 ] - [ -0.0001374800000000, 0.0000794500000000, 0.0001402500000000 ] - [ 0.0000003200000000, 0.0001108000000000, -0.0001516600000000 ] - [ 0.0001349800000000, 0.0000780200000000, 0.0001381000000000 ] - [ -0.0000955600000000, -0.0000555400000000, -0.0001522600000000 ] - [ 0.0000976400000000, -0.0000564100000000, -0.0001537700000000 ] - [ -0.0000000100000000, -0.0001559700000000, 0.0001390000000000 ] - [ -0.0001082700000000, 0.0000624700000000, -0.0000366900000000 ] - [ -0.0000001300000000, 0.0000634100000000, -0.0000045300000000 ] - [ 0.0001066500000000, 0.0000623000000000, -0.0000383000000000 ] - [ -0.0000549000000000, -0.0000315100000000, -0.0000045600000000 ] - [ -0.0000006300000000, -0.0001235800000000, -0.0000385200000000 ] - [ 0.0000504400000000, -0.0000290000000000, -0.0000026900000000 ] - [ -0.0000026100000000, 0.0000008300000000, 0.0003096000000000 ] - [ -0.0000498800000000, 0.0000279800000000, 0.0000166600000000 ] - [ 0.0000531300000000, 0.0000299100000000, 0.0000182500000000 ] - [ -0.0000014300000000, 0.0000045600000000, 0.0002841500000000 ] - [ -0.0000012300000000, 0.0000038900000000, 0.0002798800000000 ] - [ -0.0000000200000000, -0.0000603100000000, 0.0000162000000000 ] - [ -0.0002513000000000, 0.0000042700000000, 0.0002882500000000 ] - [ -0.0018351200000000, -0.0022317100000000, 0.0041429800000000 ] - [ 0.0011016600000000, 0.0004842100000000, 0.0003791800000000 ] - [ 0.0001811700000000, -0.0000380300000000, 0.0002124100000000 ] - [ -0.0005378400000000, 0.0000836000000000, -0.0001725600000000 ] - [ 0.0000290200000000, -0.0000372700000000, 0.0000714800000000 ] - [ -0.0002008900000000, 0.0001159600000000, 0.0002294800000000 ] - [ -0.0000008400000000, 0.0000368400000000, 0.0000453300000000 ] - [ 0.0002026800000000, 0.0001159900000000, 0.0002311100000000 ] - [ -0.0000322800000000, -0.0000178600000000, 0.0000444800000000 ] - [ 0.0000330300000000, -0.0000190400000000, 0.0000456400000000 ] - [ 0.0000009300000000, -0.0002333600000000, 0.0002313000000000 ] - [ -0.0001362100000000, 0.0000786900000000, 0.0001367800000000 ] - [ 0.0000004000000000, 0.0001081700000000, -0.0001473800000000 ] - [ 0.0001333600000000, 0.0000771700000000, 0.0001344200000000 ] - [ -0.0000932700000000, -0.0000543300000000, -0.0001480100000000 ] - [ 0.0000955300000000, -0.0000552000000000, -0.0001496100000000 ] - [ -0.0000001000000000, -0.0001541700000000, 0.0001352900000000 ] - [ -0.0001089200000000, 0.0000628900000000, -0.0000327700000000 ] - [ 0.0000000300000000, 0.0000628200000000, -0.0000025000000000 ] - [ 0.0001075700000000, 0.0000628300000000, -0.0000341400000000 ] - [ -0.0000543400000000, -0.0000314300000000, -0.0000023000000000 ] - [ -0.0000006600000000, -0.0001246300000000, -0.0000344300000000 ] - [ 0.0000501100000000, -0.0000289000000000, -0.0000001600000000 ] - [ -0.0000008100000000, -0.0000098400000000, 0.0002842500000000 ] - [ -0.0000486200000000, 0.0000280800000000, 0.0000174400000000 ] - [ 0.0000520100000000, 0.0000302400000000, 0.0000196100000000 ] - [ 0.0000078500000000, 0.0000055700000000, 0.0002844800000000 ] - [ -0.0000102500000000, 0.0000060000000000, 0.0002866800000000 ] - [ -0.0000001400000000, -0.0000601100000000, 0.0000190500000000 ] - [ 0.0000831400000000, -0.0000481100000000, 0.0001909800000000 ] - [ -0.0000003000000000, -0.0001381300000000, 0.0002673900000000 ] - [ 0.0001193100000000, 0.0000693700000000, 0.0002678600000000 ] - [ -0.0000804800000000, -0.0000470800000000, 0.0001930100000000 ] - [ -0.0001205500000000, 0.0000697500000000, 0.0002688300000000 ] - [ 0.0000004900000000, 0.0000934500000000, 0.0001935500000000 ] - [ -0.0001986000000000, 0.0001146300000000, 0.0002257700000000 ] - [ -0.0016445300000000, -0.0052061200000000, 0.0058087300000000 ] - [ 0.0002004300000000, 0.0001147200000000, 0.0002273800000000 ] - [ 0.0033425400000000, 0.0010989400000000, 0.0009505200000000 ] - [ 0.0003392600000000, -0.0004034900000000, -0.0011944900000000 ] - [ 0.0000008900000000, -0.0002307100000000, 0.0002275000000000 ] - [ -0.0006014900000000, 0.0001947800000000, 0.0003251200000000 ] - [ -0.0000028100000000, 0.0001071800000000, -0.0001334500000000 ] - [ 0.0005013500000000, 0.0001162300000000, 0.0002074800000000 ] - [ -0.0001009800000000, -0.0000499600000000, -0.0001505600000000 ] - [ 0.0001048700000000, -0.0000548800000000, -0.0001590900000000 ] - [ 0.0000391800000000, -0.0003750900000000, 0.0000065200000000 ] - [ -0.0001093600000000, 0.0000625200000000, -0.0000365600000000 ] - [ -0.0000000500000000, 0.0000620900000000, -0.0000022300000000 ] - [ 0.0001083500000000, 0.0000623000000000, -0.0000388100000000 ] - [ -0.0000537900000000, -0.0000309600000000, -0.0000021100000000 ] - [ -0.0000003300000000, -0.0001251300000000, -0.0000413300000000 ] - [ 0.0000494900000000, -0.0000284500000000, 0.0000000400000000 ] - [ -0.0000007400000000, -0.0000102500000000, 0.0002856400000000 ] - [ -0.0000467000000000, 0.0000269700000000, 0.0000124800000000 ] - [ 0.0000501500000000, 0.0000292000000000, 0.0000146500000000 ] - [ 0.0000082800000000, 0.0000057400000000, 0.0002859100000000 ] - [ -0.0000103500000000, 0.0000060600000000, 0.0002879200000000 ] - [ -0.0000001900000000, -0.0000579600000000, 0.0000140600000000 ] - [ 0.0000857200000000, -0.0000495500000000, 0.0001876500000000 ] - [ -0.0000003900000000, -0.0001392100000000, 0.0002694500000000 ] - [ 0.0001202200000000, 0.0000699900000000, 0.0002699200000000 ] - [ -0.0000830700000000, -0.0000485900000000, 0.0001895800000000 ] - [ -0.0001218500000000, 0.0000704700000000, 0.0002711500000000 ] - [ 0.0000005200000000, 0.0000964800000000, 0.0001901000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000003300000000, -0.0000001900000000, -0.0003517700000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0005590600000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0006162600000000 ] - [ -0.0000162000000000, 0.0000093500000000, -0.0004135500000000 ] - [ -0.0002470200000000, 0.0001426200000000, 0.0036274000000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0003483700000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0005564000000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0006197100000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0004066400000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0003337000000000 ] - [ -0.0004321000000000, 0.0002494700000000, 0.0023343900000000 ] - [ 0.0001556200000000, -0.0000898500000000, -0.0004810600000000 ] - [ 0.0000011100000000, -0.0000006400000000, -0.0006162900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004059900000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0003323200000000 ] - [ -0.0005373200000000, 0.0003102200000000, 0.0182899100000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0011171200000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0010461100000000 ] - [ 0.0000026000000000, -0.0000015000000000, -0.0009585500000000 ] - [ 0.0003276400000000, -0.0001891600000000, -0.0011807300000000 ] - [ -0.0000001800000000, 0.0000001100000000, -0.0009483800000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0011229400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0010532300000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0009617000000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0012817600000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0009484000000000 ] - [ -0.0000472500000000, 0.0000272800000000, -0.0011272900000000 ] - [ -0.0000007800000000, 0.0000004500000000, -0.0010484200000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0009570800000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0012844500000000 ] - [ 0.0000005700000000, -0.0000003300000000, -0.0004542600000000 ] - [ -0.0000009700000000, 0.0000005600000000, -0.0006623800000000 ] - [ 0.0000031200000000, -0.0000018000000000, -0.0003208400000000 ] - [ 0.0000640500000000, -0.0000369800000000, -0.0007078100000000 ] - [ 0.0006350300000000, -0.0003666300000000, 0.0080679200000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0004529500000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0006639300000000 ] - [ 0.0000026000000000, -0.0000015000000000, -0.0003238400000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0006662200000000 ] - [ -0.0000006400000000, 0.0000003700000000, -0.0004799700000000 ] - [ 0.0000823000000000, -0.0000475100000000, -0.0004641700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0006619000000000 ] - [ 0.0000028900000000, -0.0000016700000000, -0.0003215100000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0006684700000000 ] - [ -0.0000007400000000, 0.0000004300000000, -0.0004788400000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0003466200000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0014308700000000 ] - [ -0.0000109700000000, 0.0000063400000000, -0.0004985700000000 ] - [ 0.0000006500000000, -0.0000003800000000, -0.0014759400000000 ] - [ -0.0012334300000000, 0.0007121200000000, 0.0003017200000000 ] - [ -0.0000004900000000, 0.0000002800000000, -0.0003371600000000 ] - [ 0.0000008500000000, -0.0000004900000000, -0.0014176600000000 ] - [ 0.0000001300000000, -0.0000000800000000, -0.0005069400000000 ] - [ -0.0000005100000000, 0.0000002900000000, -0.0014892800000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0004689000000000 ] - [ -0.0160533300000000, 0.0092683900000000, 0.0269389400000000 ] - [ -0.0017242900000000, 0.0009955200000000, -0.0008856700000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0005000900000000 ] - [ -0.0000121800000000, 0.0000070300000000, -0.0014722000000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0004648400000000 ] - [ 0.0273125300000000, -0.0157689000000000, -0.0491882200000000 ] - [ -0.0000008900000000, -0.0000458400000000, 0.0004465800000000 ] - [ -0.0036287600000000, -0.0014182700000000, -0.0090937300000000 ] - [ 0.0000392500000000, 0.0000236900000000, 0.0004465800000000 ] - [ -0.0000389900000000, 0.0000225100000000, 0.0004476000000000 ] - [ -0.0005861200000000, 0.0038517300000000, -0.0090937300000000 ] - [ -0.0001765700000000, 0.0001019400000000, 0.0005599900000000 ] - [ 0.0000003200000000, 0.0000475400000000, 0.0001867300000000 ] - [ 0.0001739200000000, 0.0001005200000000, 0.0005582500000000 ] - [ -0.0000410100000000, -0.0000240500000000, 0.0001867300000000 ] - [ 0.0000428200000000, -0.0000247200000000, 0.0001849600000000 ] - [ -0.0000000900000000, -0.0002008800000000, 0.0005582500000000 ] - [ -0.0001040300000000, 0.0000600600000000, 0.0003914200000000 ] - [ -0.0000002500000000, 0.0000860700000000, 0.0003548900000000 ] - [ 0.0001024800000000, 0.0000599600000000, 0.0003894400000000 ] - [ -0.0000746600000000, -0.0000428200000000, 0.0003548900000000 ] - [ -0.0000006900000000, -0.0001187300000000, 0.0003894400000000 ] - [ 0.0000699000000000, -0.0000403600000000, 0.0003562900000000 ] - [ -0.0000136200000000, -0.0000327600000000, 0.0007183500000000 ] - [ -0.0000792800000000, 0.0000457700000000, 0.0003771600000000 ] - [ 0.0000822200000000, 0.0000461700000000, 0.0003753000000000 ] - [ 0.0000215600000000, 0.0000281800000000, 0.0007183500000000 ] - [ -0.0000275700000000, 0.0000159200000000, 0.0006719800000000 ] - [ 0.0000011300000000, -0.0000942900000000, 0.0003753000000000 ] - [ 0.0000167500000000, -0.0000096700000000, 0.0009572200000000 ] - [ -0.0039456200000000, -0.0031090800000000, 0.0031422800000000 ] - [ 0.0007197300000000, 0.0049715400000000, 0.0031422800000000 ] - [ -0.0000636700000000, -0.0001986000000000, 0.0004013100000000 ] - [ -0.0002609700000000, 0.0001506700000000, -0.0024905000000000 ] - [ 0.0001401600000000, 0.0001544400000000, 0.0004013100000000 ] - [ -0.0002591000000000, 0.0001495900000000, 0.0005577700000000 ] - [ -0.0000008000000000, -0.0000447500000000, 0.0004437900000000 ] - [ 0.0002607400000000, 0.0001495700000000, 0.0005594600000000 ] - [ 0.0000383500000000, 0.0000230700000000, 0.0004437900000000 ] - [ -0.0000377300000000, 0.0000217800000000, 0.0004445500000000 ] - [ 0.0000008400000000, -0.0003005900000000, 0.0005594600000000 ] - [ -0.0001733900000000, 0.0001001100000000, 0.0005543500000000 ] - [ 0.0000003800000000, 0.0000439300000000, 0.0001909900000000 ] - [ 0.0001704800000000, 0.0000985900000000, 0.0005525500000000 ] - [ -0.0000378600000000, -0.0000222900000000, 0.0001909900000000 ] - [ 0.0000399500000000, -0.0000230600000000, 0.0001891100000000 ] - [ -0.0000001400000000, -0.0001969300000000, 0.0005525500000000 ] - [ -0.0001043900000000, 0.0000602700000000, 0.0003951400000000 ] - [ -0.0000000100000000, 0.0000857600000000, 0.0003580900000000 ] - [ 0.0001029800000000, 0.0000603000000000, 0.0003936700000000 ] - [ -0.0000742700000000, -0.0000428700000000, 0.0003580900000000 ] - [ -0.0000007300000000, -0.0001193400000000, 0.0003936700000000 ] - [ 0.0000698800000000, -0.0000403500000000, 0.0003602700000000 ] - [ -0.0000009100000000, -0.0000193900000000, 0.0007106300000000 ] - [ -0.0000784000000000, 0.0000452600000000, 0.0003743000000000 ] - [ 0.0000817000000000, 0.0000474500000000, 0.0003761500000000 ] - [ 0.0000163400000000, 0.0000104800000000, 0.0007106300000000 ] - [ -0.0000187800000000, 0.0000108400000000, 0.0007129500000000 ] - [ -0.0000002400000000, -0.0000944800000000, 0.0003761500000000 ] - [ 0.0000287500000000, -0.0000166000000000, 0.0005265000000000 ] - [ -0.0000003800000000, -0.0001375500000000, 0.0006958200000000 ] - [ 0.0001189300000000, 0.0000691000000000, 0.0006958200000000 ] - [ -0.0000261400000000, -0.0000156200000000, 0.0005286800000000 ] - [ -0.0001205700000000, 0.0000696100000000, 0.0006978600000000 ] - [ 0.0000004600000000, 0.0000304400000000, 0.0005286800000000 ] - [ -0.0002578200000000, 0.0001488500000000, 0.0005550500000000 ] - [ -0.0044807700000000, -0.0056990300000000, 0.0045272900000000 ] - [ 0.0002595000000000, 0.0001488700000000, 0.0005567300000000 ] - [ 0.0026951200000000, 0.0067299700000000, 0.0045272900000000 ] - [ 0.0010761200000000, -0.0006213000000000, -0.0038032300000000 ] - [ 0.0000008200000000, -0.0002991700000000, 0.0005567300000000 ] - [ -0.0003336800000000, 0.0001926500000000, 0.0010571600000000 ] - [ -0.0000157600000000, 0.0000332900000000, 0.0001970000000000 ] - [ 0.0002398200000000, -0.0000649300000000, 0.0003940800000000 ] - [ -0.0000367100000000, -0.0000030000000000, 0.0001970000000000 ] - [ 0.0000442000000000, -0.0000255200000000, 0.0001565700000000 ] - [ 0.0001761400000000, -0.0001752200000000, 0.0003940800000000 ] - [ -0.0001010100000000, 0.0000583200000000, 0.0003940600000000 ] - [ -0.0000002200000000, 0.0000849800000000, 0.0003584000000000 ] - [ 0.0001011800000000, 0.0000577500000000, 0.0003861100000000 ] - [ -0.0000737000000000, -0.0000423000000000, 0.0003584000000000 ] - [ 0.0000005800000000, -0.0001165000000000, 0.0003861100000000 ] - [ 0.0000698600000000, -0.0000403300000000, 0.0003606900000000 ] - [ -0.0000008400000000, -0.0000192200000000, 0.0007115200000000 ] - [ -0.0000767100000000, 0.0000442900000000, 0.0003704600000000 ] - [ 0.0000800900000000, 0.0000465600000000, 0.0003717600000000 ] - [ 0.0000162200000000, 0.0000103400000000, 0.0007115200000000 ] - [ -0.0000183500000000, 0.0000106000000000, 0.0007136600000000 ] - [ -0.0000002800000000, -0.0000926400000000, 0.0003717600000000 ] - [ 0.0000299900000000, -0.0000173100000000, 0.0005240100000000 ] - [ -0.0000004800000000, -0.0001372600000000, 0.0006970400000000 ] - [ 0.0001186300000000, 0.0000690400000000, 0.0006970400000000 ] - [ -0.0000274900000000, -0.0000164300000000, 0.0005262600000000 ] - [ -0.0001204000000000, 0.0000695100000000, 0.0006988400000000 ] - [ 0.0000004900000000, 0.0000320200000000, 0.0005262600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000002500000000, -0.0000001500000000, 0.0005865100000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0004080200000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0003252400000000 ] - [ 0.0000157100000000, -0.0000090700000000, 0.0005538600000000 ] - [ 0.0003285100000000, -0.0001896700000000, -0.0031974500000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0005903400000000 ] - [ -0.0000004500000000, 0.0000002600000000, 0.0004104700000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0003218900000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0005441600000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0006117400000000 ] - [ 0.0003898900000000, -0.0002251000000000, -0.0021890000000000 ] - [ -0.0001579800000000, 0.0000912100000000, 0.0003358000000000 ] - [ -0.0000011600000000, 0.0000006700000000, 0.0003246600000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0005449500000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0006124600000000 ] - [ 0.0005372600000000, -0.0003101900000000, -0.0180316900000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0010055000000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0010763500000000 ] - [ -0.0000029800000000, 0.0000017200000000, 0.0010763700000000 ] - [ -0.0003244200000000, 0.0001873000000000, 0.0007380400000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0011864400000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0009999500000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0010689000000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0010746600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008366000000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0011868100000000 ] - [ 0.0000477600000000, -0.0000275700000000, 0.0010171200000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0010735100000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0010793300000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0008339100000000 ] - [ 0.0000005200000000, -0.0000003000000000, 0.0004356700000000 ] - [ -0.0000009300000000, 0.0000005400000000, 0.0002345000000000 ] - [ 0.0000022000000000, -0.0000012700000000, 0.0004261400000000 ] - [ -0.0000635400000000, 0.0000366900000000, 0.0002792400000000 ] - [ -0.0008390700000000, 0.0004844400000000, -0.0079584100000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0004367800000000 ] - [ -0.0000006700000000, 0.0000003900000000, 0.0002332400000000 ] - [ 0.0000025200000000, -0.0000014600000000, 0.0004227900000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0002375200000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0004189100000000 ] - [ -0.0000817700000000, 0.0000472100000000, 0.0004508900000000 ] - [ -0.0000014200000000, 0.0000008200000000, 0.0002358000000000 ] - [ 0.0000029200000000, -0.0000016900000000, 0.0004247600000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0002353000000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0004199200000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0012781200000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0004932900000000 ] - [ 0.0000116100000000, -0.0000067000000000, 0.0011783200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001640400000000 ] - [ 0.0012198600000000, -0.0007042900000000, 0.0004095000000000 ] - [ -0.0000005300000000, 0.0000003100000000, 0.0012875000000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0005067700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0011846000000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0001519600000000 ] - [ -0.0000009400000000, 0.0000005400000000, 0.0011636200000000 ] - [ 0.0168876100000000, -0.0097500700000000, -0.0264123600000000 ] - [ 0.0017427000000000, -0.0010061500000000, -0.0000283300000000 ] - [ -0.0000003100000000, 0.0000001800000000, 0.0011918600000000 ] - [ 0.0000101300000000, -0.0000058500000000, 0.0001585600000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0011681400000000 ] - [ -0.0282966400000000, 0.0163370700000000, 0.0497170700000000 ] - [ -0.0000009500000000, 0.0001499400000000, -0.0005346900000000 ] - [ 0.0039993800000000, 0.0016293900000000, 0.0093916600000000 ] - [ -0.0001303300000000, -0.0000741500000000, -0.0005346900000000 ] - [ 0.0001304700000000, -0.0000753300000000, -0.0005337500000000 ] - [ 0.0005886000000000, -0.0042782600000000, 0.0093916600000000 ] - [ -0.0000886500000000, 0.0000511800000000, -0.0004578300000000 ] - [ 0.0000002500000000, 0.0002014300000000, -0.0006373600000000 ] - [ 0.0000858500000000, 0.0000497200000000, -0.0004595100000000 ] - [ -0.0001743200000000, -0.0001009300000000, -0.0006373600000000 ] - [ 0.0001759800000000, -0.0001016000000000, -0.0006391700000000 ] - [ -0.0000001400000000, -0.0000992100000000, -0.0004595100000000 ] - [ -0.0001146400000000, 0.0000661900000000, -0.0006622900000000 ] - [ 0.0000000500000000, 0.0000312500000000, -0.0005320900000000 ] - [ 0.0001128600000000, 0.0000660500000000, -0.0006638900000000 ] - [ -0.0000270400000000, -0.0000156700000000, -0.0005320900000000 ] - [ -0.0000007700000000, -0.0001307600000000, -0.0006638900000000 ] - [ 0.0000231700000000, -0.0000133800000000, -0.0005291600000000 ] - [ 0.0000117100000000, 0.0000202200000000, -0.0003432200000000 ] - [ -0.0000093300000000, 0.0000053900000000, -0.0005048700000000 ] - [ 0.0000126700000000, 0.0000093700000000, -0.0004995200000000 ] - [ -0.0000116600000000, -0.0000202500000000, -0.0003432200000000 ] - [ 0.0000126100000000, -0.0000072800000000, -0.0002928700000000 ] - [ -0.0000017800000000, -0.0000156600000000, -0.0004995200000000 ] - [ 0.0001787900000000, -0.0001032300000000, -0.0007241100000000 ] - [ 0.0038714800000000, 0.0027863200000000, -0.0027303100000000 ] - [ -0.0004772900000000, -0.0047459600000000, -0.0027303100000000 ] - [ -0.0001273500000000, 0.0000858500000000, -0.0001706300000000 ] - [ 0.0000167600000000, -0.0000096700000000, 0.0028111800000000 ] - [ -0.0001380200000000, 0.0000673600000000, -0.0001706300000000 ] - [ -0.0001094400000000, 0.0000631800000000, -0.0002584800000000 ] - [ -0.0000008700000000, 0.0001516800000000, -0.0005376800000000 ] - [ 0.0001110300000000, 0.0000632200000000, -0.0002566900000000 ] - [ -0.0001318000000000, -0.0000750900000000, -0.0005376800000000 ] - [ 0.0001323500000000, -0.0000764100000000, -0.0005370100000000 ] - [ 0.0000007600000000, -0.0001277600000000, -0.0002566900000000 ] - [ -0.0000862200000000, 0.0000497800000000, -0.0004629900000000 ] - [ 0.0000003200000000, 0.0001985500000000, -0.0006337900000000 ] - [ 0.0000831100000000, 0.0000482400000000, -0.0004651600000000 ] - [ -0.0001717900000000, -0.0000995500000000, -0.0006337900000000 ] - [ 0.0001736200000000, -0.0001002400000000, -0.0006356700000000 ] - [ -0.0000002300000000, -0.0000960900000000, -0.0004651600000000 ] - [ -0.0001149700000000, 0.0000663800000000, -0.0006577600000000 ] - [ -0.0000000800000000, 0.0000314300000000, -0.0005291300000000 ] - [ 0.0001135000000000, 0.0000664200000000, -0.0006591300000000 ] - [ -0.0000272600000000, -0.0000156400000000, -0.0005291300000000 ] - [ -0.0000007700000000, -0.0001315000000000, -0.0006591300000000 ] - [ 0.0000228100000000, -0.0000131700000000, -0.0005269600000000 ] - [ -0.0000009700000000, 0.0000052100000000, -0.0003328300000000 ] - [ -0.0000090500000000, 0.0000052300000000, -0.0005012600000000 ] - [ 0.0000122500000000, 0.0000074300000000, -0.0004994000000000 ] - [ -0.0000050000000000, -0.0000017600000000, -0.0003328300000000 ] - [ 0.0000023900000000, -0.0000013800000000, -0.0003304900000000 ] - [ -0.0000003100000000, -0.0000143200000000, -0.0004994000000000 ] - [ 0.0001635800000000, -0.0000944400000000, -0.0002949800000000 ] - [ -0.0000004600000000, -0.0001398500000000, -0.0003551500000000 ] - [ 0.0001208900000000, 0.0000703300000000, -0.0003551500000000 ] - [ -0.0001611600000000, -0.0000934900000000, -0.0002926500000000 ] - [ -0.0001223500000000, 0.0000706400000000, -0.0003539000000000 ] - [ 0.0000003800000000, 0.0001863100000000, -0.0002926500000000 ] - [ -0.0001077000000000, 0.0000621800000000, -0.0002607900000000 ] - [ 0.0045633100000000, 0.0058862500000000, -0.0047137700000000 ] - [ 0.0001091700000000, 0.0000621600000000, -0.0002591400000000 ] - [ -0.0028159800000000, -0.0068950700000000, -0.0047137700000000 ] - [ -0.0010027000000000, 0.0005789100000000, 0.0037513900000000 ] - [ 0.0000007600000000, -0.0001256300000000, -0.0002591400000000 ] - [ 0.0000743900000000, -0.0000429500000000, -0.0009710500000000 ] - [ 0.0000165200000000, 0.0002123400000000, -0.0006479600000000 ] - [ 0.0000147900000000, 0.0002142100000000, -0.0003042900000000 ] - [ -0.0001756300000000, -0.0001204800000000, -0.0006479600000000 ] - [ 0.0001723400000000, -0.0000995000000000, -0.0006112400000000 ] - [ -0.0001781100000000, -0.0001199100000000, -0.0003042900000000 ] - [ -0.0001139600000000, 0.0000657900000000, -0.0006685100000000 ] - [ -0.0000000200000000, 0.0000306200000000, -0.0005296000000000 ] - [ 0.0001114200000000, 0.0000665700000000, -0.0006630500000000 ] - [ -0.0000265300000000, -0.0000152900000000, -0.0005296000000000 ] - [ -0.0000019400000000, -0.0001297800000000, -0.0006630500000000 ] - [ 0.0000219400000000, -0.0000126700000000, -0.0005270200000000 ] - [ -0.0000008800000000, 0.0000046900000000, -0.0003311500000000 ] - [ -0.0000075400000000, 0.0000043500000000, -0.0005060100000000 ] - [ 0.0000107100000000, 0.0000066100000000, -0.0005037300000000 ] - [ -0.0000045000000000, -0.0000015900000000, -0.0003311500000000 ] - [ 0.0000022900000000, -0.0000013200000000, -0.0003290500000000 ] - [ -0.0000003700000000, -0.0000125800000000, -0.0005037300000000 ] - [ 0.0001659200000000, -0.0000958000000000, -0.0002982000000000 ] - [ -0.0000005600000000, -0.0001405300000000, -0.0003533100000000 ] - [ 0.0001214200000000, 0.0000707500000000, -0.0003533100000000 ] - [ -0.0001635800000000, -0.0000949300000000, -0.0002959600000000 ] - [ -0.0001233100000000, 0.0000711900000000, -0.0003520800000000 ] - [ 0.0000004200000000, 0.0001891300000000, -0.0002959600000000 ]- atom: 62 displacement: [ -0.0050000000070399, 0.0086602540337799, 0.0000000000000000 ] forces: - [ -0.0010971100000000, 0.0013400600000000, -0.0015796600000000 ] - [ -0.0003551200000000, -0.0000843300000000, -0.0014809300000000 ] - [ 0.0000038900000000, 0.0000060200000000, -0.0000540200000000 ] - [ 0.0000000800000000, -0.0000001600000000, 0.0001693300000000 ] - [ 0.0000000500000000, -0.0000006600000000, 0.0002362600000000 ] - [ 0.0000003900000000, -0.0000003800000000, 0.0002192500000000 ] - [ -0.0000000800000000, -0.0000003200000000, 0.0000283700000000 ] - [ 0.0000000700000000, -0.0000002500000000, -0.0000504300000000 ] - [ -0.0000004100000000, -0.0000006500000000, 0.0001698600000000 ] - [ -0.0001259700000000, -0.0001713400000000, 0.0006249900000000 ] - [ 0.0000006300000000, -0.0000005200000000, 0.0002194500000000 ] - [ -0.0000001500000000, -0.0000000100000000, 0.0000296100000000 ] - [ 0.0000002400000000, -0.0000005100000000, -0.0000474300000000 ] - [ 0.0000000700000000, -0.0000004300000000, 0.0001682300000000 ] - [ 0.0000000800000000, -0.0000001200000000, 0.0002393400000000 ] - [ 0.0000002200000000, -0.0000004500000000, 0.0003390100000000 ] - [ -0.0002294900000000, -0.0003005600000000, 0.0005265000000000 ] - [ -0.0000017600000000, -0.0000033100000000, 0.0002369200000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0002712700000000 ] - [ 0.0000004400000000, -0.0000005800000000, -0.0000001600000000 ] - [ -0.0009042600000000, 0.0013570400000000, -0.0003791400000000 ] - [ 0.0000004800000000, -0.0000005200000000, 0.0001630600000000 ] - [ 0.0000001300000000, -0.0000004300000000, 0.0002295300000000 ] - [ 0.0000005100000000, -0.0000005200000000, 0.0002688700000000 ] - [ 0.0000093700000000, -0.0000017800000000, -0.0000165000000000 ] - [ 0.0000003600000000, -0.0000005100000000, 0.0003408200000000 ] - [ 0.0000003200000000, -0.0000003800000000, 0.0001698200000000 ] - [ -0.0000001000000000, -0.0000003500000000, 0.0002340300000000 ] - [ 0.0000003200000000, -0.0000003400000000, 0.0002739600000000 ] - [ 0.0000000700000000, -0.0000003200000000, -0.0000028500000000 ] - [ 0.0003793600000000, 0.0006054200000000, 0.0002071200000000 ] - [ 0.0000020100000000, 0.0000039500000000, -0.0001171500000000 ] - [ 0.0000027900000000, -0.0000021000000000, 0.0001306600000000 ] - [ 0.0000001700000000, -0.0000002600000000, -0.0001200700000000 ] - [ -0.0000003200000000, -0.0000001700000000, 0.0000604600000000 ] - [ 0.0000006500000000, -0.0000006000000000, 0.0000856900000000 ] - [ -0.0000004100000000, -0.0000000900000000, -0.0001220100000000 ] - [ 0.0000028800000000, -0.0000018000000000, 0.0001277900000000 ] - [ 0.0000022800000000, 0.0000007000000000, -0.0001097300000000 ] - [ 0.0004587700000000, 0.0007325000000000, 0.0006991600000000 ] - [ 0.0000009000000000, -0.0000007700000000, 0.0000874100000000 ] - [ -0.0000005000000000, -0.0000000200000000, -0.0001195200000000 ] - [ 0.0000032200000000, -0.0000020000000000, 0.0001293800000000 ] - [ 0.0000003200000000, -0.0000003300000000, -0.0001228000000000 ] - [ -0.0000005800000000, -0.0000000200000000, 0.0000637000000000 ] - [ -0.0008817000000000, 0.0185809400000000, -0.0152475200000000 ] - [ -0.0011787900000000, 0.0120879200000000, -0.0148156700000000 ] - [ 0.0000006400000000, -0.0000004400000000, 0.0005156600000000 ] - [ -0.0000380700000000, -0.0000630600000000, -0.0006149400000000 ] - [ 0.0000000500000000, -0.0000002100000000, 0.0005227500000000 ] - [ -0.0000003100000000, 0.0000000500000000, 0.0006432200000000 ] - [ 0.0000010500000000, -0.0000009200000000, -0.0002534700000000 ] - [ 0.0000000900000000, -0.0000002200000000, 0.0005132900000000 ] - [ -0.0000008000000000, 0.0000002700000000, -0.0004964800000000 ] - [ -0.0000306900000000, 0.0000057000000000, 0.0003166100000000 ] - [ -0.0000008400000000, 0.0000002100000000, 0.0006435000000000 ] - [ 0.0000005600000000, -0.0000005100000000, -0.0002530800000000 ] - [ -0.0000000500000000, -0.0000001500000000, 0.0005218600000000 ] - [ -0.0000008200000000, 0.0000003300000000, -0.0004840500000000 ] - [ 0.0000001300000000, -0.0000002700000000, 0.0005233200000000 ] - [ -0.0001680400000000, 0.0000967100000000, 0.0000621500000000 ] - [ 0.0111059600000000, -0.0630562600000000, 0.0335990900000000 ] - [ 0.0001706000000000, 0.0000969300000000, 0.0000641400000000 ] - [ 0.0126932900000000, 0.0120131800000000, 0.0058217200000000 ] - [ -0.0167713800000000, 0.0212891800000000, 0.0068594400000000 ] - [ 0.0000011400000000, -0.0001964300000000, 0.0000643300000000 ] - [ 0.0025708200000000, -0.0013798900000000, -0.0017304900000000 ] - [ -0.0000958100000000, 0.0004139800000000, -0.0003728000000000 ] - [ -0.0036008000000000, -0.0004205800000000, -0.0051407700000000 ] - [ -0.0001835500000000, -0.0001751500000000, -0.0001454100000000 ] - [ 0.0002075000000000, -0.0002782300000000, -0.0002577400000000 ] - [ -0.0000805400000000, -0.0004828700000000, 0.0012877600000000 ] - [ -0.0001200200000000, 0.0000776800000000, -0.0002493500000000 ] - [ -0.0000003100000000, 0.0000532900000000, -0.0001828400000000 ] - [ 0.0001254000000000, 0.0000778500000000, -0.0002794800000000 ] - [ -0.0000456700000000, -0.0000274700000000, -0.0001806100000000 ] - [ 0.0000030100000000, -0.0001417700000000, -0.0002317100000000 ] - [ 0.0000418200000000, -0.0000255100000000, -0.0001796600000000 ] - [ -0.0000006000000000, -0.0000055100000000, 0.0000797700000000 ] - [ -0.0000351100000000, 0.0000200500000000, -0.0001567900000000 ] - [ 0.0000388600000000, 0.0000222700000000, -0.0001549600000000 ] - [ 0.0000040200000000, 0.0000028100000000, 0.0000800600000000 ] - [ -0.0000060800000000, 0.0000033100000000, 0.0000822500000000 ] - [ -0.0000000400000000, -0.0000450500000000, -0.0001551300000000 ] - [ 0.0001126900000000, -0.0000654100000000, 0.0000277000000000 ] - [ -0.0000002800000000, -0.0001407100000000, 0.0000635200000000 ] - [ 0.0001213200000000, 0.0000702300000000, 0.0000639800000000 ] - [ -0.0001096900000000, -0.0000644600000000, 0.0000297000000000 ] - [ -0.0001226900000000, 0.0000707100000000, 0.0000652700000000 ] - [ 0.0000006700000000, 0.0001270800000000, 0.0000301700000000 ] - [ 0.0035774100000000, -0.0016191800000000, -0.0026188000000000 ] - [ -0.0000006800000000, 0.0000751200000000, -0.0001501100000000 ] - [ -0.0051823100000000, 0.0001742300000000, -0.0070839400000000 ] - [ -0.0000655700000000, -0.0000375400000000, -0.0001509500000000 ] - [ 0.0000666500000000, -0.0000387400000000, -0.0001497700000000 ] - [ -0.0001780700000000, -0.0006556300000000, 0.0011865800000000 ] - [ -0.0001210600000000, 0.0000697000000000, -0.0000587500000000 ] - [ 0.0000005900000000, 0.0001396500000000, -0.0003067700000000 ] - [ 0.0001185600000000, 0.0000681500000000, -0.0000610900000000 ] - [ -0.0001207500000000, -0.0000706800000000, -0.0003073400000000 ] - [ 0.0001233200000000, -0.0000714900000000, -0.0003089800000000 ] - [ 0.0000000700000000, -0.0001372700000000, -0.0000601900000000 ] - [ -0.0001125200000000, 0.0000646800000000, -0.0002405300000000 ] - [ 0.0000001800000000, 0.0000523400000000, -0.0001799000000000 ] - [ 0.0001115500000000, 0.0000646800000000, -0.0002418700000000 ] - [ -0.0000454700000000, -0.0000267700000000, -0.0001796900000000 ] - [ -0.0000005200000000, -0.0001293000000000, -0.0002421800000000 ] - [ 0.0000415800000000, -0.0000242400000000, -0.0001776300000000 ] - [ -0.0000010600000000, -0.0000017600000000, 0.0000829600000000 ] - [ -0.0000348000000000, 0.0000198600000000, -0.0001558200000000 ] - [ 0.0000385000000000, 0.0000224200000000, -0.0001536000000000 ] - [ 0.0000015400000000, 0.0000012800000000, 0.0000831500000000 ] - [ -0.0000037200000000, 0.0000013400000000, 0.0000841400000000 ] - [ 0.0000000500000000, -0.0000447900000000, -0.0001542700000000 ] - [ 0.0000931800000000, -0.0000517000000000, 0.0000194600000000 ] - [ -0.0001427900000000, 0.0006013400000000, 0.0003504200000000 ] - [ -0.0001041500000000, -0.0001703200000000, 0.0002615900000000 ] - [ -0.0000923000000000, -0.0000554700000000, 0.0000047900000000 ] - [ 0.0001429800000000, -0.0003215100000000, 0.0001682700000000 ] - [ 0.0000044600000000, 0.0001033800000000, 0.0000261500000000 ] - [ -0.0001682300000000, 0.0000968200000000, 0.0000612000000000 ] - [ -0.0000007400000000, 0.0000750000000000, -0.0001497300000000 ] - [ 0.0001703500000000, 0.0000969100000000, 0.0000628000000000 ] - [ -0.0000655500000000, -0.0000374500000000, -0.0001505900000000 ] - [ 0.0000666000000000, -0.0000387100000000, -0.0001493200000000 ] - [ 0.0000010400000000, -0.0001961700000000, 0.0000629300000000 ] - [ -0.0001207300000000, 0.0000696100000000, -0.0000587600000000 ] - [ 0.0000005600000000, 0.0001419900000000, -0.0003120200000000 ] - [ 0.0001185900000000, 0.0000682300000000, -0.0000608400000000 ] - [ -0.0001227800000000, -0.0000718100000000, -0.0003125600000000 ] - [ 0.0001255400000000, -0.0000727800000000, -0.0003143200000000 ] - [ 0.0000001200000000, -0.0001370900000000, -0.0000603700000000 ] - [ -0.0001111200000000, 0.0000638900000000, -0.0002456900000000 ] - [ 0.0000001100000000, 0.0000515100000000, -0.0001797000000000 ] - [ 0.0001104500000000, 0.0000639700000000, -0.0002468400000000 ] - [ -0.0000447500000000, -0.0000262700000000, -0.0001794900000000 ] - [ -0.0000004300000000, -0.0001280000000000, -0.0002471700000000 ] - [ 0.0000407200000000, -0.0000237500000000, -0.0001773600000000 ] - [ -0.0000005800000000, -0.0000065300000000, 0.0000827000000000 ] - [ -0.0000328600000000, 0.0000187200000000, -0.0001605800000000 ] - [ 0.0000366900000000, 0.0000210100000000, -0.0001583700000000 ] - [ 0.0000049100000000, 0.0000033300000000, 0.0000829400000000 ] - [ -0.0000067200000000, 0.0000036900000000, 0.0000849800000000 ] - [ -0.0000000500000000, -0.0000425900000000, -0.0001589100000000 ] - [ 0.0001126400000000, -0.0000653700000000, 0.0000274500000000 ] - [ -0.0000002100000000, -0.0001400700000000, 0.0000616900000000 ] - [ 0.0001208000000000, 0.0000698500000000, 0.0000620800000000 ] - [ -0.0001096200000000, -0.0000643800000000, 0.0000294500000000 ] - [ -0.0001221900000000, 0.0000704000000000, 0.0000633700000000 ] - [ 0.0000006600000000, 0.0001269700000000, 0.0000299500000000 ]- atom: 62 displacement: [ 0.0050000000070399, -0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0011022700000000, -0.0013445100000000, 0.0018085900000000 ] - [ 0.0003614300000000, 0.0000572300000000, 0.0013109800000000 ] - [ -0.0000037000000000, -0.0000064700000000, -0.0002360900000000 ] - [ -0.0000000300000000, -0.0000002100000000, -0.0000287200000000 ] - [ -0.0000000300000000, 0.0000002400000000, 0.0000388300000000 ] - [ 0.0000004000000000, -0.0000001100000000, 0.0000235700000000 ] - [ -0.0000003500000000, 0.0000002300000000, -0.0001723200000000 ] - [ -0.0000001400000000, -0.0000000700000000, -0.0002466700000000 ] - [ 0.0000003700000000, 0.0000003600000000, -0.0000327900000000 ] - [ 0.0001281400000000, 0.0001706600000000, -0.0003458700000000 ] - [ 0.0000006400000000, -0.0000002400000000, 0.0000236700000000 ] - [ -0.0000004400000000, 0.0000000500000000, -0.0001713400000000 ] - [ 0.0000001400000000, -0.0000000200000000, -0.0002435500000000 ] - [ 0.0000002500000000, -0.0000000900000000, -0.0000295100000000 ] - [ 0.0000001600000000, -0.0000004300000000, 0.0000415500000000 ] - [ 0.0000001200000000, -0.0000002600000000, -0.0001090300000000 ] - [ 0.0002262900000000, 0.0003016200000000, -0.0006304000000000 ] - [ 0.0000021800000000, 0.0000024900000000, -0.0002079100000000 ] - [ -0.0000001500000000, -0.0000002800000000, -0.0001560400000000 ] - [ 0.0000003200000000, -0.0000001900000000, -0.0004432200000000 ] - [ 0.0008966900000000, -0.0012795000000000, 0.0006995100000000 ] - [ 0.0000003300000000, -0.0000002600000000, -0.0002780700000000 ] - [ -0.0000000200000000, -0.0000001700000000, -0.0002151100000000 ] - [ 0.0000003200000000, -0.0000003500000000, -0.0001584500000000 ] - [ -0.0000092100000000, 0.0000013800000000, -0.0004274800000000 ] - [ 0.0000002300000000, -0.0000003600000000, -0.0001075500000000 ] - [ 0.0000001200000000, -0.0000001300000000, -0.0002716200000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0002105700000000 ] - [ 0.0000002900000000, -0.0000003900000000, -0.0001540300000000 ] - [ -0.0000000500000000, 0.0000000000000000, -0.0004459300000000 ] - [ -0.0003725700000000, -0.0006094300000000, -0.0002239300000000 ] - [ -0.0000035200000000, -0.0000035700000000, -0.0003115300000000 ] - [ 0.0000029900000000, -0.0000014000000000, -0.0000250500000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0003083200000000 ] - [ -0.0000004400000000, 0.0000000700000000, -0.0001278500000000 ] - [ 0.0000005100000000, -0.0000003900000000, -0.0000985000000000 ] - [ -0.0000005100000000, 0.0000001300000000, -0.0003098900000000 ] - [ 0.0000027300000000, -0.0000015900000000, -0.0000285700000000 ] - [ -0.0000014800000000, -0.0000012800000000, -0.0003194000000000 ] - [ -0.0004667800000000, -0.0007302700000000, -0.0007592400000000 ] - [ 0.0000007800000000, -0.0000005400000000, -0.0000968700000000 ] - [ -0.0000006000000000, 0.0000001800000000, -0.0003076300000000 ] - [ 0.0000030900000000, -0.0000018000000000, -0.0000272300000000 ] - [ 0.0000002100000000, -0.0000001100000000, -0.0003109800000000 ] - [ -0.0000006900000000, 0.0000002000000000, -0.0001246000000000 ] - [ 0.0007624000000000, -0.0198422100000000, 0.0171353400000000 ] - [ 0.0012522600000000, -0.0113045900000000, 0.0131469000000000 ] - [ 0.0000005400000000, -0.0000005100000000, 0.0001536800000000 ] - [ 0.0000377700000000, 0.0000630000000000, -0.0006917600000000 ] - [ -0.0000003000000000, -0.0000001200000000, 0.0001826700000000 ] - [ -0.0000003200000000, 0.0000000500000000, 0.0003008900000000 ] - [ 0.0000010200000000, -0.0000006700000000, -0.0006530700000000 ] - [ 0.0000005300000000, -0.0000004200000000, 0.0001556100000000 ] - [ -0.0000004900000000, 0.0000001300000000, -0.0008357000000000 ] - [ 0.0000303700000000, -0.0000059700000000, 0.0003802800000000 ] - [ -0.0000008600000000, 0.0000005200000000, 0.0003012700000000 ] - [ 0.0000006100000000, -0.0000005600000000, -0.0006525800000000 ] - [ -0.0000001400000000, 0.0000000000000000, 0.0001608200000000 ] - [ -0.0000009400000000, 0.0000004000000000, -0.0008236400000000 ] - [ -0.0000000500000000, -0.0000002100000000, 0.0001837200000000 ] - [ -0.0002013300000000, 0.0001161200000000, 0.0002387500000000 ] - [ -0.0110789700000000, 0.0635473200000000, -0.0340253900000000 ] - [ 0.0002036800000000, 0.0001163300000000, 0.0002408200000000 ] - [ -0.0127772300000000, -0.0120675300000000, -0.0059038800000000 ] - [ 0.0168213700000000, -0.0212544100000000, -0.0069347500000000 ] - [ 0.0000010500000000, -0.0002346200000000, 0.0002410400000000 ] - [ -0.0028436700000000, 0.0015165400000000, 0.0018504400000000 ] - [ 0.0000954900000000, -0.0001685800000000, -0.0000751700000000 ] - [ 0.0038361100000000, 0.0005354200000000, 0.0051821300000000 ] - [ -0.0000290800000000, 0.0000518700000000, -0.0003041700000000 ] - [ 0.0000098100000000, 0.0001519300000000, -0.0001973000000000 ] - [ 0.0000896000000000, 0.0001671800000000, -0.0011914800000000 ] - [ -0.0000965000000000, 0.0000469000000000, -0.0000197700000000 ] - [ 0.0000007800000000, 0.0000628600000000, 0.0000084300000000 ] - [ 0.0000888200000000, 0.0000465600000000, 0.0000069900000000 ] - [ -0.0000549200000000, -0.0000315600000000, 0.0000065700000000 ] - [ -0.0000040600000000, -0.0001062700000000, -0.0000414200000000 ] - [ 0.0000511000000000, -0.0000284000000000, 0.0000097600000000 ] - [ -0.0000006600000000, -0.0000084900000000, 0.0002931400000000 ] - [ -0.0000510900000000, 0.0000294100000000, 0.0000268200000000 ] - [ 0.0000545300000000, 0.0000316300000000, 0.0000290600000000 ] - [ 0.0000066300000000, 0.0000046300000000, 0.0002933300000000 ] - [ -0.0000089300000000, 0.0000051800000000, 0.0002955400000000 ] - [ -0.0000002000000000, -0.0000631200000000, 0.0000280900000000 ] - [ 0.0000829100000000, -0.0000480400000000, 0.0001983000000000 ] - [ -0.0000004000000000, -0.0001373300000000, 0.0002825100000000 ] - [ 0.0001185000000000, 0.0000688800000000, 0.0002829300000000 ] - [ -0.0000801500000000, -0.0000470800000000, 0.0002002800000000 ] - [ -0.0001201100000000, 0.0000693300000000, 0.0002842300000000 ] - [ 0.0000008700000000, 0.0000928900000000, 0.0002004900000000 ] - [ -0.0039414400000000, 0.0018621900000000, 0.0028986300000000 ] - [ -0.0000008000000000, 0.0000337900000000, 0.0000594400000000 ] - [ 0.0056039000000000, 0.0000810700000000, 0.0074765800000000 ] - [ -0.0000297200000000, -0.0000165600000000, 0.0000585000000000 ] - [ 0.0000305700000000, -0.0000177400000000, 0.0000597200000000 ] - [ 0.0001710200000000, 0.0002438700000000, -0.0008856300000000 ] - [ -0.0001352400000000, 0.0000780000000000, 0.0001471900000000 ] - [ 0.0000005400000000, 0.0001036100000000, -0.0001358700000000 ] - [ 0.0001324500000000, 0.0000764300000000, 0.0001448300000000 ] - [ -0.0000893700000000, -0.0000523300000000, -0.0001364400000000 ] - [ 0.0000917400000000, -0.0000531000000000, -0.0001380900000000 ] - [ -0.0000000200000000, -0.0001530800000000, 0.0001456600000000 ] - [ -0.0001073700000000, 0.0000618900000000, -0.0000188800000000 ] - [ 0.0000000900000000, 0.0000636100000000, 0.0000109400000000 ] - [ 0.0001061800000000, 0.0000619300000000, -0.0000202100000000 ] - [ -0.0000550500000000, -0.0000320200000000, 0.0000111300000000 ] - [ -0.0000006600000000, -0.0001230100000000, -0.0000205100000000 ] - [ 0.0000509600000000, -0.0000294700000000, 0.0000132300000000 ] - [ -0.0000003300000000, -0.0000121100000000, 0.0002915600000000 ] - [ -0.0000509800000000, 0.0000292000000000, 0.0000279200000000 ] - [ 0.0000545300000000, 0.0000314400000000, 0.0000301100000000 ] - [ 0.0000089100000000, 0.0000061600000000, 0.0002918400000000 ] - [ -0.0000111600000000, 0.0000070400000000, 0.0002953700000000 ] - [ -0.0000001400000000, -0.0000633600000000, 0.0000296300000000 ] - [ 0.0000983300000000, -0.0000589400000000, 0.0002111700000000 ] - [ 0.0001435900000000, -0.0008757000000000, -0.0000126700000000 ] - [ 0.0003414500000000, 0.0003067600000000, 0.0000772300000000 ] - [ -0.0000932400000000, -0.0000528500000000, 0.0002302900000000 ] - [ -0.0003820200000000, 0.0004597700000000, 0.0001774300000000 ] - [ -0.0000034500000000, 0.0001116000000000, 0.0002097900000000 ] - [ -0.0002010500000000, 0.0001159200000000, 0.0002381100000000 ] - [ -0.0000008600000000, 0.0000346700000000, 0.0000586900000000 ] - [ 0.0002029200000000, 0.0001159800000000, 0.0002397100000000 ] - [ -0.0000305700000000, -0.0000169600000000, 0.0000577900000000 ] - [ 0.0000313800000000, -0.0000182000000000, 0.0000590800000000 ] - [ 0.0000009500000000, -0.0002337500000000, 0.0002398900000000 ] - [ -0.0001354300000000, 0.0000781000000000, 0.0001474900000000 ] - [ 0.0000004900000000, 0.0001053400000000, -0.0001402000000000 ] - [ 0.0001332100000000, 0.0000766000000000, 0.0001449600000000 ] - [ -0.0000908800000000, -0.0000532000000000, -0.0001407800000000 ] - [ 0.0000934100000000, -0.0000540900000000, -0.0001425000000000 ] - [ 0.0000000100000000, -0.0001536900000000, 0.0001462200000000 ] - [ -0.0001057300000000, 0.0000609400000000, -0.0000241900000000 ] - [ 0.0000000100000000, 0.0000628200000000, 0.0000111400000000 ] - [ 0.0001048900000000, 0.0000610600000000, -0.0000253800000000 ] - [ -0.0000544400000000, -0.0000315900000000, 0.0000113500000000 ] - [ -0.0000005500000000, -0.0001214200000000, -0.0000256600000000 ] - [ 0.0000502200000000, -0.0000290600000000, 0.0000134400000000 ] - [ -0.0000006400000000, -0.0000093100000000, 0.0002958600000000 ] - [ -0.0000488600000000, 0.0000281400000000, 0.0000228300000000 ] - [ 0.0000524700000000, 0.0000304300000000, 0.0000249800000000 ] - [ 0.0000073800000000, 0.0000050000000000, 0.0002961700000000 ] - [ -0.0000093900000000, 0.0000054100000000, 0.0002982000000000 ] - [ -0.0000001800000000, -0.0000606700000000, 0.0000243600000000 ] - [ 0.0000831300000000, -0.0000481800000000, 0.0001978000000000 ] - [ -0.0000003500000000, -0.0001372900000000, 0.0002809400000000 ] - [ 0.0001185000000000, 0.0000687900000000, 0.0002814500000000 ] - [ -0.0000803300000000, -0.0000471600000000, 0.0001997700000000 ] - [ -0.0001200900000000, 0.0000693100000000, 0.0002827300000000 ] - [ 0.0000005200000000, 0.0000932300000000, 0.0002003000000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0001925000000000, 0.0091893200000000 ] - [ 0.0000000000000000, -0.0007652800000000, 0.0023058600000000 ] - [ 0.0000000000000000, -0.0000180900000000, -0.0007125600000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0004998600000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0004311100000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0004440100000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0006463400000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0007127200000000 ] - [ 0.0000000000000000, 0.0000025100000000, -0.0005005300000000 ] - [ 0.0000000000000000, 0.0002376300000000, -0.0002714700000000 ] - [ 0.0000000000000000, -0.0000003700000000, -0.0004436300000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0006455600000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0007101700000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0005007300000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0004279600000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0011852100000000 ] - [ 0.0000000000000000, 0.0005652500000000, -0.0012882900000000 ] - [ 0.0000000000000000, 0.0000058200000000, -0.0012679400000000 ] - [ 0.0000000000000000, -0.0000005600000000, -0.0011662500000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0014755500000000 ] - [ 0.0000000000000000, 0.0009290400000000, 0.0105866000000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0013201900000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0012751200000000 ] - [ 0.0000000000000000, -0.0000011800000000, -0.0011679400000000 ] - [ 0.0000000000000000, -0.0000931500000000, -0.0014881000000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0011844500000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0013120900000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0012701000000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0011638200000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0014782200000000 ] - [ 0.0000000000000000, -0.0010831200000000, -0.0002386700000000 ] - [ 0.0000000000000000, -0.0000082000000000, -0.0007575800000000 ] - [ 0.0000000000000000, -0.0000010500000000, -0.0003972300000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0007480100000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0005751400000000 ] - [ 0.0000000000000000, -0.0000006000000000, -0.0005381500000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0007609700000000 ] - [ 0.0000000000000000, -0.0000017200000000, -0.0004002400000000 ] - [ 0.0000000000000000, -0.0000119200000000, -0.0007435600000000 ] - [ 0.0000000000000000, -0.0012400900000000, -0.0000410200000000 ] - [ 0.0000000000000000, -0.0000007200000000, -0.0005372200000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0007581800000000 ] - [ 0.0000000000000000, -0.0000018700000000, -0.0003986400000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0007510400000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0005720900000000 ] - [ 0.0000000000000000, -0.0155574200000000, 0.0259581900000000 ] - [ 0.0000000000000000, -0.0083643700000000, 0.0229148000000000 ] - [ 0.0000000000000000, -0.0000006600000000, -0.0006759100000000 ] - [ 0.0000000000000000, 0.0001690100000000, -0.0016485400000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0006209700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005229000000000 ] - [ 0.0000000000000000, -0.0000007700000000, -0.0016045600000000 ] - [ 0.0000000000000000, 0.0000029000000000, -0.0006778500000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0016433200000000 ] - [ 0.0000000000000000, 0.0003221300000000, -0.0007023700000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0005215600000000 ] - [ 0.0000000000000000, -0.0000006200000000, -0.0016024400000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0006690400000000 ] - [ 0.0000000000000000, 0.0000003200000000, -0.0016337200000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0006199500000000 ] - [ -0.0002889300000000, 0.0001660900000000, 0.0006617100000000 ] - [ 0.0000000000000000, 0.0390530500000000, -0.0575151500000000 ] - [ 0.0002889300000000, 0.0001660900000000, 0.0006617100000000 ] - [ -0.0059015800000000, -0.0046068300000000, -0.0128804800000000 ] - [ 0.0059015800000000, -0.0046068300000000, -0.0128804800000000 ] - [ 0.0000000000000000, -0.0003342600000000, 0.0006628300000000 ] - [ -0.0052809300000000, -0.0013443200000000, 0.0046606400000000 ] - [ 0.0000000000000000, -0.0001132000000000, 0.0006505700000000 ] - [ 0.0052809300000000, -0.0013443200000000, 0.0046606400000000 ] - [ -0.0001375500000000, 0.0000986300000000, 0.0001127800000000 ] - [ 0.0001375500000000, 0.0000986300000000, 0.0001127800000000 ] - [ 0.0000000000000000, 0.0007762900000000, -0.0032045200000000 ] - [ -0.0001152600000000, 0.0000461900000000, 0.0005323900000000 ] - [ 0.0000000000000000, 0.0000882300000000, 0.0004635700000000 ] - [ 0.0001152600000000, 0.0000461900000000, 0.0005323900000000 ] - [ -0.0000757900000000, -0.0000422200000000, 0.0004613000000000 ] - [ 0.0000000000000000, -0.0001245700000000, 0.0004590600000000 ] - [ 0.0000757900000000, -0.0000422200000000, 0.0004613000000000 ] - [ 0.0000000000000000, -0.0000155700000000, 0.0007901900000000 ] - [ -0.0000794800000000, 0.0000458100000000, 0.0004605100000000 ] - [ 0.0000794800000000, 0.0000458100000000, 0.0004605100000000 ] - [ 0.0000139700000000, 0.0000084200000000, 0.0007916500000000 ] - [ -0.0000139700000000, 0.0000084200000000, 0.0007916500000000 ] - [ 0.0000000000000000, -0.0000941900000000, 0.0004603400000000 ] - [ 0.0000126000000000, -0.0000078200000000, 0.0005986600000000 ] - [ 0.0000000000000000, -0.0001375200000000, 0.0008056900000000 ] - [ 0.0001193100000000, 0.0000691100000000, 0.0008067100000000 ] - [ -0.0000126000000000, -0.0000078200000000, 0.0005986600000000 ] - [ -0.0001193100000000, 0.0000691100000000, 0.0008067100000000 ] - [ 0.0000000000000000, 0.0000132200000000, 0.0006001000000000 ] - [ -0.0061293500000000, -0.0021741300000000, 0.0048316300000000 ] - [ 0.0000000000000000, -0.0000681800000000, 0.0005607000000000 ] - [ 0.0061293500000000, -0.0021741300000000, 0.0048316300000000 ] - [ 0.0000581700000000, 0.0000338600000000, 0.0005606400000000 ] - [ -0.0000581700000000, 0.0000338600000000, 0.0005606400000000 ] - [ 0.0000000000000000, 0.0011107600000000, -0.0036283500000000 ] - [ -0.0001592100000000, 0.0000918000000000, 0.0006313100000000 ] - [ 0.0000000000000000, 0.0000283400000000, 0.0002643000000000 ] - [ 0.0001592100000000, 0.0000918000000000, 0.0006313100000000 ] - [ -0.0000249400000000, -0.0000149000000000, 0.0002631100000000 ] - [ 0.0000249400000000, -0.0000149000000000, 0.0002631100000000 ] - [ 0.0000000000000000, -0.0001826000000000, 0.0006308300000000 ] - [ -0.0001021000000000, 0.0000590700000000, 0.0005149100000000 ] - [ 0.0000000000000000, 0.0000884300000000, 0.0004614000000000 ] - [ 0.0001021000000000, 0.0000590700000000, 0.0005149100000000 ] - [ -0.0000745500000000, -0.0000432200000000, 0.0004628300000000 ] - [ 0.0000000000000000, -0.0001182900000000, 0.0005142600000000 ] - [ 0.0000745500000000, -0.0000432200000000, 0.0004628300000000 ] - [ 0.0000000000000000, -0.0000132600000000, 0.0007993400000000 ] - [ -0.0000800600000000, 0.0000457600000000, 0.0004613000000000 ] - [ 0.0000800600000000, 0.0000457600000000, 0.0004613000000000 ] - [ 0.0000125500000000, 0.0000092500000000, 0.0007884100000000 ] - [ -0.0000125500000000, 0.0000092500000000, 0.0007884100000000 ] - [ 0.0000000000000000, -0.0000941800000000, 0.0004610600000000 ] - [ -0.0000304000000000, -0.0000261700000000, 0.0006217100000000 ] - [ 0.0000000000000000, 0.0001347000000000, 0.0018019400000000 ] - [ -0.0000080400000000, 0.0001362200000000, 0.0004590000000000 ] - [ 0.0000304000000000, -0.0000261700000000, 0.0006217100000000 ] - [ 0.0000080400000000, 0.0001362200000000, 0.0004590000000000 ] - [ 0.0000000000000000, 0.0000194300000000, 0.0005484800000000 ] - [ -0.0002882700000000, 0.0001657000000000, 0.0006596500000000 ] - [ 0.0000000000000000, -0.0000661100000000, 0.0005591800000000 ] - [ 0.0002882700000000, 0.0001657000000000, 0.0006596500000000 ] - [ 0.0000563000000000, 0.0000328900000000, 0.0005591100000000 ] - [ -0.0000563000000000, 0.0000328900000000, 0.0005591100000000 ] - [ 0.0000000000000000, -0.0003331300000000, 0.0006604800000000 ] - [ -0.0001600900000000, 0.0000924800000000, 0.0006321000000000 ] - [ 0.0000000000000000, 0.0000274400000000, 0.0002607100000000 ] - [ 0.0001600900000000, 0.0000924800000000, 0.0006321000000000 ] - [ -0.0000246600000000, -0.0000147400000000, 0.0002589200000000 ] - [ 0.0000246600000000, -0.0000147400000000, 0.0002589200000000 ] - [ 0.0000000000000000, -0.0001838600000000, 0.0006316300000000 ] - [ -0.0000998400000000, 0.0000577000000000, 0.0005071200000000 ] - [ 0.0000000000000000, 0.0000877000000000, 0.0004618400000000 ] - [ 0.0000998400000000, 0.0000577000000000, 0.0005071200000000 ] - [ -0.0000738700000000, -0.0000428400000000, 0.0004631500000000 ] - [ 0.0000000000000000, -0.0001154300000000, 0.0005063600000000 ] - [ 0.0000738700000000, -0.0000428400000000, 0.0004631500000000 ] - [ 0.0000000000000000, -0.0000180900000000, 0.0007951600000000 ] - [ -0.0000761200000000, 0.0000439200000000, 0.0004559000000000 ] - [ 0.0000761200000000, 0.0000439200000000, 0.0004559000000000 ] - [ 0.0000159900000000, 0.0000095200000000, 0.0007963800000000 ] - [ -0.0000159900000000, 0.0000095200000000, 0.0007963800000000 ] - [ 0.0000000000000000, -0.0000901800000000, 0.0004564200000000 ] - [ 0.0000129300000000, -0.0000079100000000, 0.0005985200000000 ] - [ 0.0000000000000000, -0.0001374500000000, 0.0008042400000000 ] - [ 0.0001193100000000, 0.0000690500000000, 0.0008051100000000 ] - [ -0.0000129300000000, -0.0000079100000000, 0.0005985200000000 ] - [ -0.0001193100000000, 0.0000690500000000, 0.0008051100000000 ] - [ 0.0000000000000000, 0.0000133400000000, 0.0006000800000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001937400000000, -0.0089610800000000 ] - [ 0.0000000000000000, 0.0007149400000000, -0.0025470100000000 ] - [ 0.0000000000000000, 0.0000181200000000, 0.0004224100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0006401000000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0007047900000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0006837400000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0005070700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004153400000000 ] - [ 0.0000000000000000, -0.0000025400000000, 0.0006376700000000 ] - [ 0.0000000000000000, -0.0002357500000000, 0.0005527300000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0006830200000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0005082000000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0004184500000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0006395100000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0007074000000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0013980300000000 ] - [ 0.0000000000000000, -0.0005706800000000, 0.0011893800000000 ] - [ 0.0000000000000000, -0.0000064800000000, 0.0012866000000000 ] - [ 0.0000000000000000, 0.0000004500000000, 0.0012814900000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0010499100000000 ] - [ 0.0000000000000000, -0.0007192800000000, -0.0100183200000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0012114200000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0012796500000000 ] - [ 0.0000000000000000, 0.0000005700000000, 0.0012790200000000 ] - [ 0.0000000000000000, 0.0000917700000000, 0.0010625600000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0013997200000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0012178900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0012841300000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0012836300000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0010469800000000 ] - [ 0.0000000000000000, 0.0010924200000000, 0.0002179000000000 ] - [ 0.0000000000000000, 0.0000089800000000, 0.0003225800000000 ] - [ 0.0000000000000000, -0.0000021300000000, 0.0005018200000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0003282400000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0005066100000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0005243400000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0003224800000000 ] - [ 0.0000000000000000, -0.0000014000000000, 0.0004980600000000 ] - [ 0.0000000000000000, 0.0000113500000000, 0.0003229500000000 ] - [ 0.0000000000000000, 0.0012288700000000, -0.0000138200000000 ] - [ 0.0000000000000000, -0.0000005000000000, 0.0005258800000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0003249400000000 ] - [ 0.0000000000000000, -0.0000017100000000, 0.0004996700000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0003255900000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0005098000000000 ] - [ 0.0000000000000000, 0.0147218500000000, -0.0246729900000000 ] - [ 0.0000000000000000, 0.0091934300000000, -0.0243822100000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0013581900000000 ] - [ 0.0000000000000000, -0.0001709700000000, 0.0003434600000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0013301200000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0014501700000000 ] - [ 0.0000000000000000, -0.0000005800000000, 0.0006948300000000 ] - [ 0.0000000000000000, -0.0000031600000000, 0.0013583700000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0003135100000000 ] - [ 0.0000000000000000, -0.0003176000000000, 0.0014017400000000 ] - [ 0.0000000000000000, 0.0000007000000000, 0.0014497700000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0006948700000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0013643800000000 ] - [ 0.0000000000000000, 0.0000006300000000, 0.0003261100000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0013309500000000 ] - [ -0.0000925400000000, 0.0000528200000000, -0.0003456600000000 ] - [ 0.0000000000000000, -0.0390255600000000, 0.0573192600000000 ] - [ 0.0000925400000000, 0.0000528200000000, -0.0003456600000000 ] - [ 0.0058235700000000, 0.0045510300000000, 0.0128138700000000 ] - [ -0.0058235700000000, 0.0045510300000000, 0.0128138700000000 ] - [ 0.0000000000000000, -0.0001076200000000, -0.0003445200000000 ] - [ 0.0051235000000000, 0.0015071700000000, -0.0046656100000000 ] - [ 0.0000000000000000, 0.0003597800000000, -0.0011116700000000 ] - [ -0.0051235000000000, 0.0015071700000000, -0.0046656100000000 ] - [ -0.0000750800000000, -0.0002236700000000, -0.0005705800000000 ] - [ 0.0000750800000000, -0.0002236700000000, -0.0005705800000000 ] - [ 0.0000000000000000, -0.0010741600000000, 0.0033248500000000 ] - [ -0.0000984500000000, 0.0000778400000000, -0.0007925500000000 ] - [ 0.0000000000000000, 0.0000264000000000, -0.0006257300000000 ] - [ 0.0000984500000000, 0.0000778400000000, -0.0007925500000000 ] - [ -0.0000196600000000, -0.0000132400000000, -0.0006209300000000 ] - [ 0.0000000000000000, -0.0001218800000000, -0.0007203300000000 ] - [ 0.0000196600000000, -0.0000132400000000, -0.0006209300000000 ] - [ 0.0000000000000000, 0.0000063500000000, -0.0004349200000000 ] - [ -0.0000028300000000, 0.0000018300000000, -0.0005899200000000 ] - [ 0.0000028300000000, 0.0000018300000000, -0.0005899200000000 ] - [ -0.0000048500000000, -0.0000023800000000, -0.0004334400000000 ] - [ 0.0000048500000000, -0.0000023800000000, -0.0004334400000000 ] - [ 0.0000000000000000, -0.0000053400000000, -0.0005888100000000 ] - [ 0.0001787400000000, -0.0001035900000000, -0.0003776000000000 ] - [ 0.0000000000000000, -0.0001423700000000, -0.0004568200000000 ] - [ 0.0001237100000000, 0.0000717400000000, -0.0004557800000000 ] - [ -0.0001787400000000, -0.0001035900000000, -0.0003776000000000 ] - [ -0.0001237100000000, 0.0000717400000000, -0.0004557800000000 ] - [ 0.0000000000000000, 0.0002048900000000, -0.0003766600000000 ] - [ 0.0056523900000000, 0.0023505900000000, -0.0044314200000000 ] - [ 0.0000000000000000, 0.0001725800000000, -0.0006389300000000 ] - [ -0.0056523900000000, 0.0023505900000000, -0.0044314200000000 ] - [ -0.0001502400000000, -0.0000864100000000, -0.0006391700000000 ] - [ 0.0001502400000000, -0.0000864100000000, -0.0006391700000000 ] - [ 0.0000000000000000, -0.0015327300000000, 0.0039042400000000 ] - [ -0.0000785800000000, 0.0000453600000000, -0.0005600600000000 ] - [ 0.0000000000000000, 0.0002153900000000, -0.0007145800000000 ] - [ 0.0000785800000000, 0.0000453600000000, -0.0005600600000000 ] - [ -0.0001872700000000, -0.0001084500000000, -0.0007159300000000 ] - [ 0.0001872700000000, -0.0001084500000000, -0.0007159300000000 ] - [ 0.0000000000000000, -0.0000893100000000, -0.0005600400000000 ] - [ -0.0001167500000000, 0.0000677300000000, -0.0007637200000000 ] - [ 0.0000000000000000, 0.0000259900000000, -0.0006187000000000 ] - [ 0.0001167500000000, 0.0000677300000000, -0.0007637200000000 ] - [ -0.0000204700000000, -0.0000119100000000, -0.0006176800000000 ] - [ 0.0000000000000000, -0.0001345000000000, -0.0007645700000000 ] - [ 0.0000204700000000, -0.0000119100000000, -0.0006176800000000 ] - [ 0.0000000000000000, 0.0000039900000000, -0.0004431000000000 ] - [ -0.0000027900000000, 0.0000018700000000, -0.0005887200000000 ] - [ 0.0000027900000000, 0.0000018700000000, -0.0005887200000000 ] - [ -0.0000033500000000, -0.0000030600000000, -0.0004295000000000 ] - [ 0.0000033500000000, -0.0000030600000000, -0.0004295000000000 ] - [ 0.0000000000000000, -0.0000060600000000, -0.0005872700000000 ] - [ 0.0002161700000000, -0.0000825200000000, -0.0003951100000000 ] - [ 0.0000000000000000, -0.0004043700000000, -0.0014473800000000 ] - [ 0.0002454200000000, 0.0000022100000000, -0.0001205400000000 ] - [ -0.0002161700000000, -0.0000825200000000, -0.0003951100000000 ] - [ -0.0002454200000000, 0.0000022100000000, -0.0001205400000000 ] - [ 0.0000000000000000, 0.0001930300000000, -0.0003195900000000 ] - [ -0.0000935600000000, 0.0000533800000000, -0.0003458000000000 ] - [ 0.0000000000000000, 0.0001722500000000, -0.0006394900000000 ] - [ 0.0000935600000000, 0.0000533800000000, -0.0003458000000000 ] - [ -0.0001499700000000, -0.0000862200000000, -0.0006397000000000 ] - [ 0.0001499700000000, -0.0000862200000000, -0.0006397000000000 ] - [ 0.0000000000000000, -0.0001081400000000, -0.0003449200000000 ] - [ -0.0000795700000000, 0.0000457200000000, -0.0005595400000000 ] - [ 0.0000000000000000, 0.0002172800000000, -0.0007184400000000 ] - [ 0.0000795700000000, 0.0000457200000000, -0.0005595400000000 ] - [ -0.0001889600000000, -0.0001093900000000, -0.0007194100000000 ] - [ 0.0001889600000000, -0.0001093900000000, -0.0007194100000000 ] - [ 0.0000000000000000, -0.0000904300000000, -0.0005592300000000 ] - [ -0.0001148000000000, 0.0000665600000000, -0.0007700200000000 ] - [ 0.0000000000000000, 0.0000253500000000, -0.0006197600000000 ] - [ 0.0001148000000000, 0.0000665600000000, -0.0007700200000000 ] - [ -0.0000196900000000, -0.0000114300000000, -0.0006185200000000 ] - [ 0.0000000000000000, -0.0001323600000000, -0.0007708700000000 ] - [ 0.0000196900000000, -0.0000114300000000, -0.0006185200000000 ] - [ 0.0000000000000000, 0.0000053800000000, -0.0004320800000000 ] - [ -0.0000010300000000, 0.0000006600000000, -0.0005933300000000 ] - [ 0.0000010300000000, 0.0000006600000000, -0.0005933300000000 ] - [ -0.0000041600000000, -0.0000019700000000, -0.0004307700000000 ] - [ 0.0000041600000000, -0.0000019700000000, -0.0004307700000000 ] - [ 0.0000000000000000, -0.0000032000000000, -0.0005927400000000 ] - [ 0.0001791800000000, -0.0001037800000000, -0.0003781800000000 ] - [ 0.0000000000000000, -0.0001420800000000, -0.0004583400000000 ] - [ 0.0001235100000000, 0.0000715600000000, -0.0004571300000000 ] - [ -0.0001791800000000, -0.0001037800000000, -0.0003781800000000 ] - [ -0.0001235100000000, 0.0000715600000000, -0.0004571300000000 ] - [ 0.0000000000000000, 0.0002055000000000, -0.0003766900000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004425600000000, 0.0002359200000000, -0.0003923400000000 ] - [ 0.0016524500000000, -0.0000861500000000, -0.0008450700000000 ] - [ -0.0000307700000000, 0.0001257100000000, 0.0001323100000000 ] - [ 0.0000000400000000, -0.0000000700000000, 0.0001155800000000 ] - [ -0.0000001000000000, 0.0000000400000000, 0.0001847700000000 ] - [ 0.0000003600000000, -0.0000000700000000, 0.0001683700000000 ] - [ -0.0000003200000000, 0.0000003000000000, -0.0000234400000000 ] - [ -0.0000004200000000, 0.0000003200000000, -0.0001017100000000 ] - [ 0.0000000200000000, -0.0000000500000000, 0.0001138600000000 ] - [ 0.0000025700000000, -0.0000082600000000, 0.0001815900000000 ] - [ 0.0000002900000000, -0.0000001300000000, 0.0001686700000000 ] - [ -0.0000003900000000, 0.0000003500000000, -0.0000224000000000 ] - [ 0.0000003600000000, -0.0000000400000000, -0.0000985600000000 ] - [ 0.0000005300000000, -0.0000002400000000, 0.0001146400000000 ] - [ -0.0000001100000000, 0.0000001300000000, 0.0001873900000000 ] - [ 0.0000008300000000, -0.0000005000000000, 0.0002222400000000 ] - [ 0.0032171300000000, -0.0006182700000000, 0.0009749700000000 ] - [ -0.0000089800000000, -0.0000074700000000, 0.0001164400000000 ] - [ 0.0000002000000000, 0.0000011300000000, 0.0001636600000000 ] - [ 0.0000002900000000, -0.0000001100000000, -0.0001144500000000 ] - [ -0.0000469800000000, 0.0002703400000000, 0.0004535500000000 ] - [ 0.0000003100000000, -0.0000001300000000, 0.0000451300000000 ] - [ -0.0000001200000000, 0.0000000200000000, 0.0001112300000000 ] - [ 0.0000002900000000, -0.0000001500000000, 0.0001573000000000 ] - [ -0.0000003300000000, 0.0000024300000000, -0.0001137200000000 ] - [ 0.0000002100000000, -0.0000001800000000, 0.0002230800000000 ] - [ 0.0000001400000000, -0.0000000200000000, 0.0000519200000000 ] - [ -0.0000002700000000, 0.0000000600000000, 0.0001157800000000 ] - [ 0.0000002400000000, -0.0000000400000000, 0.0001619100000000 ] - [ -0.0000000600000000, 0.0000001700000000, -0.0001171400000000 ] - [ 0.0017180200000000, 0.0004938300000000, -0.0011815100000000 ] - [ 0.0000097100000000, 0.0000123600000000, -0.0002461600000000 ] - [ 0.0000023300000000, -0.0000028600000000, 0.0000986200000000 ] - [ 0.0000000300000000, 0.0000001300000000, -0.0001676500000000 ] - [ -0.0000003400000000, 0.0000003100000000, 0.0000108600000000 ] - [ 0.0000004700000000, -0.0000002200000000, 0.0000366900000000 ] - [ -0.0000005500000000, 0.0000003000000000, -0.0001727500000000 ] - [ 0.0000027200000000, -0.0000014000000000, 0.0000866300000000 ] - [ 0.0000002700000000, 0.0000003000000000, -0.0001681700000000 ] - [ -0.0000137300000000, 0.0000383700000000, -0.0000597800000000 ] - [ 0.0000007500000000, -0.0000003800000000, 0.0000384400000000 ] - [ -0.0000006300000000, 0.0000003600000000, -0.0001703300000000 ] - [ 0.0000030600000000, -0.0000016200000000, 0.0000882100000000 ] - [ 0.0000001900000000, 0.0000000600000000, -0.0001702100000000 ] - [ -0.0000007100000000, 0.0000003800000000, 0.0000140600000000 ] - [ 0.0003322200000000, -0.0011348900000000, 0.0007665000000000 ] - [ 0.0282960700000000, -0.0145687300000000, -0.0247861000000000 ] - [ 0.0000008700000000, -0.0000001100000000, 0.0004245200000000 ] - [ 0.0001960800000000, -0.0010075900000000, 0.0003754100000000 ] - [ -0.0000003600000000, 0.0000002000000000, 0.0004324400000000 ] - [ -0.0000002600000000, 0.0000004000000000, 0.0005543900000000 ] - [ 0.0000010700000000, -0.0000004900000000, -0.0003592600000000 ] - [ 0.0000002900000000, -0.0000001200000000, 0.0004256400000000 ] - [ -0.0000003300000000, 0.0000002800000000, -0.0005879300000000 ] - [ 0.0000011500000000, -0.0000082200000000, 0.0004334700000000 ] - [ -0.0000009000000000, 0.0000005800000000, 0.0005547000000000 ] - [ 0.0000005100000000, -0.0000001700000000, -0.0003590900000000 ] - [ -0.0000001500000000, 0.0000002100000000, 0.0004325400000000 ] - [ -0.0000008600000000, 0.0000007000000000, -0.0005761600000000 ] - [ -0.0000001100000000, 0.0000001000000000, 0.0004333900000000 ] - [ -0.0001807900000000, 0.0001044100000000, 0.0001148500000000 ] - [ 0.0010187200000000, 0.0037506500000000, -0.0052309700000000 ] - [ 0.0001830400000000, 0.0001046100000000, 0.0001167300000000 ] - [ -0.0026589000000000, -0.0011550000000000, -0.0014282800000000 ] - [ -0.0001788100000000, 0.0002064600000000, 0.0007496000000000 ] - [ 0.0000010300000000, -0.0002106200000000, 0.0001169700000000 ] - [ -0.0634416900000000, 0.0235543100000000, 0.0287964400000000 ] - [ 0.0022205900000000, 0.0022887900000000, -0.0050201900000000 ] - [ 0.0239758800000000, 0.0019651800000000, 0.0037457800000000 ] - [ -0.0011037600000000, -0.0007054000000000, -0.0009735900000000 ] - [ 0.0004645400000000, 0.0000017100000000, -0.0002241700000000 ] - [ 0.0036875900000000, -0.0137037800000000, 0.0030481500000000 ] - [ 0.0006036700000000, -0.0001769900000000, -0.0000682200000000 ] - [ -0.0000015600000000, 0.0000451400000000, -0.0001458600000000 ] - [ -0.0003664900000000, -0.0000226000000000, -0.0001918500000000 ] - [ -0.0000383700000000, -0.0000227700000000, -0.0001338700000000 ] - [ -0.0000470600000000, 0.0001865500000000, -0.0000735800000000 ] - [ 0.0000339200000000, -0.0000226800000000, -0.0001331200000000 ] - [ -0.0000007900000000, -0.0000045500000000, 0.0001270700000000 ] - [ -0.0000365200000000, 0.0000215200000000, -0.0001088000000000 ] - [ 0.0000404000000000, 0.0000240200000000, -0.0001083000000000 ] - [ 0.0000033300000000, 0.0000029000000000, 0.0001275100000000 ] - [ -0.0000057700000000, 0.0000033900000000, 0.0001296400000000 ] - [ -0.0000002600000000, -0.0000470200000000, -0.0001077500000000 ] - [ 0.0001030600000000, -0.0000595600000000, 0.0000698400000000 ] - [ -0.0000004000000000, -0.0001373800000000, 0.0001197900000000 ] - [ 0.0001185600000000, 0.0000691100000000, 0.0001201900000000 ] - [ -0.0001003600000000, -0.0000585800000000, 0.0000718300000000 ] - [ -0.0001202200000000, 0.0000696300000000, 0.0001214600000000 ] - [ 0.0000005200000000, 0.0001165600000000, 0.0000722700000000 ] - [ 0.0002841000000000, -0.0000112600000000, -0.0000436500000000 ] - [ -0.0000006700000000, 0.0000656700000000, -0.0000917200000000 ] - [ -0.0001845800000000, 0.0000748800000000, 0.0000507600000000 ] - [ -0.0000569700000000, -0.0000321600000000, -0.0000935100000000 ] - [ 0.0000579800000000, -0.0000333900000000, -0.0000918700000000 ] - [ -0.0000460700000000, 0.0000143800000000, 0.0002264600000000 ] - [ -0.0001239500000000, 0.0000716800000000, -0.0000081000000000 ] - [ 0.0000005200000000, 0.0001270800000000, -0.0002641800000000 ] - [ 0.0001211300000000, 0.0000701100000000, -0.0000104800000000 ] - [ -0.0001095300000000, -0.0000638300000000, -0.0002648000000000 ] - [ 0.0001116800000000, -0.0000645300000000, -0.0002663600000000 ] - [ -0.0000000500000000, -0.0001400100000000, -0.0000095600000000 ] - [ -0.0001091300000000, 0.0000630500000000, -0.0001775300000000 ] - [ 0.0000000200000000, 0.0000555100000000, -0.0001237900000000 ] - [ 0.0001077500000000, 0.0000630300000000, -0.0001791200000000 ] - [ -0.0000480100000000, -0.0000277600000000, -0.0001236300000000 ] - [ -0.0000007200000000, -0.0001248200000000, -0.0001793200000000 ] - [ 0.0000437900000000, -0.0000252200000000, -0.0001215100000000 ] - [ -0.0000008000000000, -0.0000037700000000, 0.0001268400000000 ] - [ -0.0000400300000000, 0.0000231800000000, -0.0001098800000000 ] - [ 0.0000435300000000, 0.0000254100000000, -0.0001077700000000 ] - [ 0.0000025900000000, 0.0000024900000000, 0.0001273600000000 ] - [ -0.0000050500000000, 0.0000029800000000, 0.0001296400000000 ] - [ -0.0000001600000000, -0.0000502800000000, -0.0001083600000000 ] - [ 0.0001026000000000, -0.0000582600000000, 0.0000714100000000 ] - [ 0.0000020300000000, -0.0001460600000000, 0.0000845400000000 ] - [ 0.0001258500000000, 0.0000671800000000, 0.0001166000000000 ] - [ -0.0000996100000000, -0.0000567900000000, 0.0000741400000000 ] - [ -0.0001272300000000, 0.0000697500000000, 0.0001262600000000 ] - [ 0.0000002200000000, 0.0001141500000000, 0.0000764500000000 ] - [ -0.0001809600000000, 0.0001045300000000, 0.0001144600000000 ] - [ -0.0000008500000000, 0.0000653100000000, -0.0000917500000000 ] - [ 0.0001828300000000, 0.0001045900000000, 0.0001160400000000 ] - [ -0.0000569600000000, -0.0000320300000000, -0.0000927000000000 ] - [ 0.0000577400000000, -0.0000332400000000, -0.0000913300000000 ] - [ 0.0000009300000000, -0.0002103700000000, 0.0001161600000000 ] - [ -0.0001234700000000, 0.0000713900000000, -0.0000083900000000 ] - [ 0.0000004700000000, 0.0001290300000000, -0.0002690700000000 ] - [ 0.0001210300000000, 0.0000699800000000, -0.0000104700000000 ] - [ -0.0001112500000000, -0.0000647700000000, -0.0002696500000000 ] - [ 0.0001135700000000, -0.0000655800000000, -0.0002713000000000 ] - [ -0.0000000400000000, -0.0001397200000000, -0.0000096500000000 ] - [ -0.0001074700000000, 0.0000621200000000, -0.0001830500000000 ] - [ -0.0000000300000000, 0.0000547000000000, -0.0001236200000000 ] - [ 0.0001064100000000, 0.0000622100000000, -0.0001844100000000 ] - [ -0.0000473100000000, -0.0000272900000000, -0.0001234200000000 ] - [ -0.0000006400000000, -0.0001232200000000, -0.0001846100000000 ] - [ 0.0000429900000000, -0.0000247500000000, -0.0001212400000000 ] - [ -0.0000007100000000, -0.0000046500000000, 0.0001290100000000 ] - [ -0.0000375500000000, 0.0000217400000000, -0.0001152200000000 ] - [ 0.0000411000000000, 0.0000240700000000, -0.0001130500000000 ] - [ 0.0000034400000000, 0.0000029300000000, 0.0001292600000000 ] - [ -0.0000055800000000, 0.0000033100000000, 0.0001313400000000 ] - [ -0.0000002400000000, -0.0000475000000000, -0.0001136400000000 ] - [ 0.0001032700000000, -0.0000596600000000, 0.0000691100000000 ] - [ -0.0000003300000000, -0.0001371400000000, 0.0001181400000000 ] - [ 0.0001184200000000, 0.0000689700000000, 0.0001185900000000 ] - [ -0.0001004500000000, -0.0000586200000000, 0.0000711600000000 ] - [ -0.0001200600000000, 0.0000695300000000, 0.0001198500000000 ] - [ 0.0000005100000000, 0.0001166400000000, 0.0000716000000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003974000000000, -0.0002556000000000, 0.0006769200000000 ] - [ -0.0016525900000000, 0.0000720200000000, 0.0006924800000000 ] - [ 0.0000319100000000, -0.0001251900000000, -0.0004224000000000 ] - [ -0.0000001400000000, 0.0000001500000000, 0.0000238100000000 ] - [ -0.0000000500000000, 0.0000000400000000, 0.0000908100000000 ] - [ 0.0000002800000000, 0.0000000200000000, 0.0000747400000000 ] - [ -0.0000002900000000, 0.0000000300000000, -0.0001196100000000 ] - [ 0.0000001800000000, -0.0000001900000000, -0.0001950200000000 ] - [ -0.0000002300000000, 0.0000001900000000, 0.0000218900000000 ] - [ -0.0000022700000000, 0.0000081800000000, 0.0000968800000000 ] - [ 0.0000007000000000, -0.0000002300000000, 0.0000749900000000 ] - [ -0.0000004100000000, 0.0000001200000000, -0.0001186700000000 ] - [ -0.0000002100000000, -0.0000000600000000, -0.0001921400000000 ] - [ -0.0000003800000000, 0.0000001300000000, 0.0000227600000000 ] - [ 0.0000001300000000, -0.0000001600000000, 0.0000936400000000 ] - [ 0.0000000600000000, -0.0000001700000000, 0.0000096500000000 ] - [ -0.0032995200000000, 0.0006592300000000, -0.0011982100000000 ] - [ 0.0000088200000000, 0.0000068700000000, -0.0000885300000000 ] - [ -0.0000003800000000, -0.0000010400000000, -0.0000465300000000 ] - [ 0.0000002700000000, -0.0000002300000000, -0.0003247600000000 ] - [ 0.0000446100000000, -0.0002712300000000, -0.0002180000000000 ] - [ 0.0000002700000000, -0.0000002200000000, -0.0001615800000000 ] - [ 0.0000000300000000, -0.0000001700000000, -0.0000978200000000 ] - [ 0.0000003300000000, -0.0000002700000000, -0.0000448300000000 ] - [ 0.0000006400000000, -0.0000025900000000, -0.0003258800000000 ] - [ 0.0000002100000000, -0.0000002400000000, 0.0000111900000000 ] - [ 0.0000000600000000, -0.0000000500000000, -0.0001552400000000 ] - [ -0.0000001600000000, -0.0000000600000000, -0.0000932800000000 ] - [ 0.0000001800000000, -0.0000002500000000, -0.0000402500000000 ] - [ -0.0000001100000000, -0.0000000300000000, -0.0003274600000000 ] - [ -0.0013835000000000, -0.0006822300000000, 0.0009140600000000 ] - [ -0.0000109100000000, -0.0000112100000000, -0.0001834200000000 ] - [ 0.0000032300000000, -0.0000001900000000, 0.0000072900000000 ] - [ 0.0000000300000000, 0.0000000400000000, -0.0002583800000000 ] - [ -0.0000004800000000, 0.0000001200000000, -0.0000781400000000 ] - [ 0.0000004700000000, -0.0000003400000000, -0.0000504100000000 ] - [ -0.0000005700000000, 0.0000002000000000, -0.0002601000000000 ] - [ 0.0000027100000000, -0.0000015100000000, 0.0000130500000000 ] - [ 0.0000004000000000, -0.0000004700000000, -0.0002586100000000 ] - [ 0.0000121500000000, -0.0000381200000000, -0.0000039100000000 ] - [ 0.0000007300000000, -0.0000004900000000, -0.0000488200000000 ] - [ -0.0000006600000000, 0.0000002500000000, -0.0002578300000000 ] - [ 0.0000030600000000, -0.0000017100000000, 0.0000144000000000 ] - [ 0.0000001500000000, -0.0000000500000000, -0.0002610900000000 ] - [ -0.0000007400000000, 0.0000002600000000, -0.0000749100000000 ] - [ -0.0003242700000000, 0.0011396500000000, 0.0001664800000000 ] - [ -0.0294724900000000, 0.0154775400000000, 0.0251495700000000 ] - [ 0.0000001600000000, -0.0000003600000000, 0.0002579500000000 ] - [ -0.0002074900000000, 0.0010010700000000, -0.0016888800000000 ] - [ -0.0000000200000000, -0.0000000800000000, 0.0002716400000000 ] - [ -0.0000005100000000, 0.0000001700000000, 0.0003933200000000 ] - [ 0.0000008100000000, -0.0000006800000000, -0.0005496100000000 ] - [ 0.0000000600000000, -0.0000000800000000, 0.0002552400000000 ] - [ -0.0000005700000000, 0.0000003000000000, -0.0007474900000000 ] - [ -0.0000028500000000, 0.0000091300000000, 0.0002631800000000 ] - [ -0.0000010100000000, 0.0000005700000000, 0.0003934700000000 ] - [ 0.0000004700000000, -0.0000004400000000, -0.0005493700000000 ] - [ -0.0000002500000000, 0.0000001100000000, 0.0002623200000000 ] - [ -0.0000010500000000, 0.0000004900000000, -0.0007354900000000 ] - [ -0.0000000400000000, -0.0000001600000000, 0.0002726200000000 ] - [ -0.0001925300000000, 0.0001110500000000, 0.0001891400000000 ] - [ -0.0010037800000000, -0.0036727300000000, 0.0051872000000000 ] - [ 0.0001948100000000, 0.0001112800000000, 0.0001911600000000 ] - [ 0.0025593900000000, 0.0010847900000000, 0.0013191800000000 ] - [ 0.0002958600000000, -0.0002643200000000, -0.0008387000000000 ] - [ 0.0000009900000000, -0.0002242800000000, 0.0001913100000000 ] - [ 0.0641256600000000, -0.0241362600000000, -0.0296245800000000 ] - [ -0.0022258200000000, -0.0020229700000000, 0.0045247000000000 ] - [ -0.0238323900000000, -0.0018253800000000, -0.0036797300000000 ] - [ 0.0008906700000000, 0.0006109300000000, 0.0005600700000000 ] - [ -0.0002401500000000, -0.0001367500000000, -0.0002418000000000 ] - [ -0.0036739800000000, 0.0134357900000000, -0.0029657800000000 ] - [ -0.0008207400000000, 0.0003039500000000, -0.0001959600000000 ] - [ 0.0000017100000000, 0.0000715200000000, -0.0000261900000000 ] - [ 0.0005811200000000, 0.0001479200000000, -0.0000807300000000 ] - [ -0.0000625000000000, -0.0000358600000000, -0.0000375400000000 ] - [ 0.0000469500000000, -0.0004353400000000, -0.0001946400000000 ] - [ 0.0000587900000000, -0.0000309200000000, -0.0000342700000000 ] - [ -0.0000007100000000, -0.0000084800000000, 0.0002393200000000 ] - [ -0.0000492400000000, 0.0000279800000000, -0.0000242800000000 ] - [ 0.0000521600000000, 0.0000299600000000, -0.0000208100000000 ] - [ 0.0000067300000000, 0.0000047400000000, 0.0002394400000000 ] - [ -0.0000091000000000, 0.0000052800000000, 0.0002416900000000 ] - [ -0.0000002000000000, -0.0000600300000000, -0.0000224100000000 ] - [ 0.0000914300000000, -0.0000529400000000, 0.0001538500000000 ] - [ -0.0000004100000000, -0.0001391700000000, 0.0002244300000000 ] - [ 0.0001201200000000, 0.0000698700000000, 0.0002249000000000 ] - [ -0.0000887100000000, -0.0000519700000000, 0.0001558100000000 ] - [ -0.0001217700000000, 0.0000703500000000, 0.0002261400000000 ] - [ 0.0000005000000000, 0.0001029500000000, 0.0001563000000000 ] - [ -0.0006603400000000, 0.0002269300000000, 0.0003526100000000 ] - [ -0.0000008500000000, 0.0000452500000000, 0.0000015800000000 ] - [ 0.0005650200000000, 0.0001423600000000, 0.0002639400000000 ] - [ -0.0000396400000000, -0.0000221800000000, 0.0000007300000000 ] - [ 0.0000404000000000, -0.0000233800000000, 0.0000019000000000 ] - [ 0.0000469800000000, -0.0004505800000000, 0.0000854700000000 ] - [ -0.0001337900000000, 0.0000772200000000, 0.0000955200000000 ] - [ 0.0000004600000000, 0.0001145500000000, -0.0001807200000000 ] - [ 0.0001309700000000, 0.0000756600000000, 0.0000931700000000 ] - [ -0.0000988700000000, -0.0000576900000000, -0.0001812500000000 ] - [ 0.0001010900000000, -0.0000584300000000, -0.0001828500000000 ] - [ -0.0000000600000000, -0.0001514400000000, 0.0000940300000000 ] - [ -0.0001089300000000, 0.0000628400000000, -0.0000797900000000 ] - [ 0.0000000300000000, 0.0000608400000000, -0.0000426300000000 ] - [ 0.0001076000000000, 0.0000628200000000, -0.0000811100000000 ] - [ -0.0000527100000000, -0.0000305900000000, -0.0000424400000000 ] - [ -0.0000006900000000, -0.0001247000000000, -0.0000814000000000 ] - [ 0.0000485000000000, -0.0000280400000000, -0.0000404000000000 ] - [ -0.0000008000000000, -0.0000082400000000, 0.0002403100000000 ] - [ -0.0000469200000000, 0.0000270400000000, -0.0000197500000000 ] - [ 0.0000503600000000, 0.0000292300000000, -0.0000176700000000 ] - [ 0.0000064500000000, 0.0000047000000000, 0.0002402400000000 ] - [ -0.0000088400000000, 0.0000051400000000, 0.0002423500000000 ] - [ -0.0000001700000000, -0.0000583000000000, -0.0000182400000000 ] - [ 0.0000873000000000, -0.0000516000000000, 0.0001576100000000 ] - [ -0.0000024500000000, -0.0001281000000000, 0.0002525300000000 ] - [ 0.0001109100000000, 0.0000703700000000, 0.0002210000000000 ] - [ -0.0000845600000000, -0.0000508600000000, 0.0001591600000000 ] - [ -0.0001119900000000, 0.0000687200000000, 0.0002137300000000 ] - [ 0.0000007500000000, 0.0000995900000000, 0.0001578400000000 ] - [ -0.0001925400000000, 0.0001110200000000, 0.0001884900000000 ] - [ -0.0000009000000000, 0.0000444500000000, 0.0000021700000000 ] - [ 0.0001943000000000, 0.0001111000000000, 0.0001900300000000 ] - [ -0.0000390200000000, -0.0000217400000000, 0.0000013300000000 ] - [ 0.0000397800000000, -0.0000230100000000, 0.0000025400000000 ] - [ 0.0000008800000000, -0.0002237600000000, 0.0001901800000000 ] - [ -0.0001330800000000, 0.0000768200000000, 0.0000952100000000 ] - [ 0.0000004000000000, 0.0001166200000000, -0.0001854900000000 ] - [ 0.0001306400000000, 0.0000754200000000, 0.0000931100000000 ] - [ -0.0001006400000000, -0.0000586800000000, -0.0001860000000000 ] - [ 0.0001029800000000, -0.0000595800000000, -0.0001877000000000 ] - [ -0.0000000200000000, -0.0001509900000000, 0.0000939400000000 ] - [ -0.0001074200000000, 0.0000619800000000, -0.0000848900000000 ] - [ -0.0000000500000000, 0.0000600700000000, -0.0000423900000000 ] - [ 0.0001063900000000, 0.0000620500000000, -0.0000860900000000 ] - [ -0.0000520900000000, -0.0000301500000000, -0.0000421900000000 ] - [ -0.0000006000000000, -0.0001232700000000, -0.0000863700000000 ] - [ 0.0000477200000000, -0.0000276100000000, -0.0000400900000000 ] - [ -0.0000007500000000, -0.0000091500000000, 0.0002418300000000 ] - [ -0.0000447900000000, 0.0000258000000000, -0.0000247700000000 ] - [ 0.0000483000000000, 0.0000281100000000, -0.0000225800000000 ] - [ 0.0000072900000000, 0.0000050700000000, 0.0002420900000000 ] - [ -0.0000094200000000, 0.0000054300000000, 0.0002440300000000 ] - [ -0.0000002400000000, -0.0000559100000000, -0.0000231900000000 ] - [ 0.0000911900000000, -0.0000528100000000, 0.0001539400000000 ] - [ -0.0000003500000000, -0.0001385800000000, 0.0002226400000000 ] - [ 0.0001196100000000, 0.0000694900000000, 0.0002230900000000 ] - [ -0.0000884800000000, -0.0000518000000000, 0.0001559400000000 ] - [ -0.0001212700000000, 0.0000700500000000, 0.0002243500000000 ] - [ 0.0000004800000000, 0.0001026600000000, 0.0001564700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008075300000000, -0.0004662300000000, 0.0059489500000000 ] - [ -0.0001613700000000, 0.0000931600000000, 0.0091144200000000 ] - [ 0.0001252700000000, -0.0000723200000000, -0.0005928600000000 ] - [ -0.0000004300000000, 0.0000002500000000, -0.0005140100000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0004413800000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0004550400000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0006651100000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0007265200000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0005160900000000 ] - [ -0.0000202500000000, 0.0000116900000000, -0.0004460300000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0004545700000000 ] - [ -0.0000004300000000, 0.0000002500000000, -0.0006643800000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0007232600000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0005137000000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0004387600000000 ] - [ 0.0000008400000000, -0.0000004800000000, -0.0011912600000000 ] - [ -0.0007780900000000, 0.0004492300000000, 0.0096478300000000 ] - [ -0.0000905300000000, 0.0000522700000000, -0.0012899400000000 ] - [ 0.0000047300000000, -0.0000027300000000, -0.0011865700000000 ] - [ 0.0000003200000000, -0.0000001800000000, -0.0015183700000000 ] - [ 0.0003774600000000, -0.0002179200000000, -0.0011192000000000 ] - [ 0.0000003000000000, -0.0000001800000000, -0.0013596600000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0012931100000000 ] - [ 0.0000003500000000, -0.0000002000000000, -0.0011912800000000 ] - [ 0.0000043400000000, -0.0000025000000000, -0.0015185000000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0011907100000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0013543900000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0012880600000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0011867700000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0015212400000000 ] - [ 0.0005037800000000, -0.0002908600000000, 0.0097272700000000 ] - [ 0.0001194800000000, -0.0000689800000000, -0.0008141300000000 ] - [ -0.0000045100000000, 0.0000026000000000, -0.0003977300000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0007670800000000 ] - [ -0.0000004500000000, 0.0000002600000000, -0.0005835500000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0005534300000000 ] - [ -0.0000005600000000, 0.0000003200000000, -0.0007678900000000 ] - [ 0.0000026700000000, -0.0000015400000000, -0.0004069300000000 ] - [ 0.0000008800000000, -0.0000005100000000, -0.0007678900000000 ] - [ 0.0000855600000000, -0.0000494000000000, -0.0005968100000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0005520400000000 ] - [ -0.0000006100000000, 0.0000003500000000, -0.0007657000000000 ] - [ 0.0000030300000000, -0.0000017500000000, -0.0004051900000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0007698100000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0005807900000000 ] - [ -0.0016994700000000, 0.0009811900000000, 0.0001528900000000 ] - [ -0.0197294400000000, 0.0113907900000000, 0.0316529900000000 ] - [ 0.0000027900000000, -0.0000016100000000, -0.0007061700000000 ] - [ -0.0014731300000000, 0.0008505100000000, -0.0004597700000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0006501300000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0005174400000000 ] - [ 0.0000010200000000, -0.0000005900000000, -0.0016309800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0007050300000000 ] - [ -0.0000005300000000, 0.0000003100000000, -0.0016747200000000 ] - [ -0.0000157600000000, 0.0000091000000000, -0.0006500600000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0005172400000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0016297900000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0006969400000000 ] - [ -0.0000010400000000, 0.0000006000000000, -0.0016626100000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0006494300000000 ] - [ -0.0002829200000000, 0.0001633400000000, 0.0006582200000000 ] - [ -0.0033995600000000, -0.0039917200000000, 0.0046732500000000 ] - [ 0.0002849800000000, 0.0001634900000000, 0.0006602600000000 ] - [ 0.0017571500000000, 0.0049399600000000, 0.0046732500000000 ] - [ 0.0012924600000000, -0.0007462000000000, -0.0033105100000000 ] - [ 0.0000009100000000, -0.0003285500000000, 0.0006602600000000 ] - [ 0.0294866600000000, -0.0170241300000000, -0.0537888300000000 ] - [ -0.0039120600000000, -0.0022540300000000, 0.0027133100000000 ] - [ -0.0035939400000000, -0.0012640300000000, -0.0117135600000000 ] - [ -0.0000039900000000, 0.0045149600000000, 0.0027133100000000 ] - [ 0.0004705700000000, -0.0002716800000000, -0.0028807900000000 ] - [ -0.0007022900000000, 0.0037444600000000, -0.0117135600000000 ] - [ 0.0003523000000000, -0.0002034000000000, 0.0014439300000000 ] - [ -0.0000259100000000, 0.0000774000000000, 0.0004756900000000 ] - [ 0.0000405800000000, -0.0001052700000000, 0.0001922000000000 ] - [ -0.0000799900000000, -0.0000162600000000, 0.0004756900000000 ] - [ 0.0001114600000000, 0.0000174900000000, 0.0001922000000000 ] - [ 0.0000711700000000, -0.0000410900000000, 0.0004300200000000 ] - [ -0.0000010400000000, -0.0000134700000000, 0.0007997400000000 ] - [ -0.0000845200000000, 0.0000488000000000, 0.0004749700000000 ] - [ 0.0000896400000000, 0.0000510000000000, 0.0004655000000000 ] - [ 0.0000111400000000, 0.0000076400000000, 0.0007997400000000 ] - [ -0.0000136200000000, 0.0000078600000000, 0.0008012400000000 ] - [ 0.0000006600000000, -0.0001031300000000, 0.0004655000000000 ] - [ 0.0000086600000000, -0.0000050000000000, 0.0006150400000000 ] - [ -0.0000005300000000, -0.0001313400000000, 0.0008130900000000 ] - [ 0.0001134700000000, 0.0000661300000000, 0.0008130900000000 ] - [ -0.0000061000000000, -0.0000041700000000, 0.0006171300000000 ] - [ -0.0001152300000000, 0.0000665300000000, 0.0008146000000000 ] - [ 0.0000005600000000, 0.0000073600000000, 0.0006171300000000 ] - [ -0.0004735200000000, 0.0002733900000000, 0.0011681700000000 ] - [ -0.0000006300000000, -0.0000654100000000, 0.0005624700000000 ] - [ 0.0003609400000000, -0.0000289600000000, 0.0005013400000000 ] - [ 0.0000563300000000, 0.0000332500000000, 0.0005624700000000 ] - [ -0.0000556900000000, 0.0000321500000000, 0.0005628200000000 ] - [ 0.0002055500000000, -0.0002981000000000, 0.0005013400000000 ] - [ -0.0001662200000000, 0.0000959700000000, 0.0006590900000000 ] - [ 0.0000004500000000, 0.0000177800000000, 0.0002918400000000 ] - [ 0.0001636500000000, 0.0000946000000000, 0.0006573300000000 ] - [ -0.0000151800000000, -0.0000092800000000, 0.0002918400000000 ] - [ 0.0000174900000000, -0.0000101000000000, 0.0002894900000000 ] - [ -0.0000001100000000, -0.0001890200000000, 0.0006573300000000 ] - [ -0.0000966600000000, 0.0000558100000000, 0.0005272000000000 ] - [ 0.0000000400000000, 0.0000899700000000, 0.0004678200000000 ] - [ 0.0000952000000000, 0.0000557600000000, 0.0005256200000000 ] - [ -0.0000779000000000, -0.0000450200000000, 0.0004678200000000 ] - [ -0.0000006900000000, -0.0001103300000000, 0.0005256200000000 ] - [ 0.0000737200000000, -0.0000425600000000, 0.0004699700000000 ] - [ -0.0000010400000000, -0.0000146200000000, 0.0008029400000000 ] - [ -0.0000868400000000, 0.0000501400000000, 0.0004675500000000 ] - [ 0.0000900800000000, 0.0000522100000000, 0.0004693000000000 ] - [ 0.0000121500000000, 0.0000082100000000, 0.0008029400000000 ] - [ -0.0000143400000000, 0.0000082800000000, 0.0008042000000000 ] - [ -0.0000001800000000, -0.0001041100000000, 0.0004693000000000 ] - [ 0.0000072200000000, -0.0000041700000000, 0.0006201500000000 ] - [ -0.0000160000000000, -0.0001423600000000, 0.0008286400000000 ] - [ 0.0001152900000000, 0.0000850400000000, 0.0008286400000000 ] - [ -0.0000050800000000, -0.0000057800000000, 0.0006177800000000 ] - [ -0.0001222300000000, 0.0000705700000000, 0.0007635400000000 ] - [ 0.0000024700000000, 0.0000072900000000, 0.0006177800000000 ] - [ -0.0002830100000000, 0.0001633900000000, 0.0006572200000000 ] - [ -0.0000008400000000, -0.0000646400000000, 0.0005612900000000 ] - [ 0.0002845200000000, 0.0001633200000000, 0.0006588200000000 ] - [ 0.0000555500000000, 0.0000330500000000, 0.0005612900000000 ] - [ -0.0000548000000000, 0.0000316400000000, 0.0005618200000000 ] - [ 0.0000008200000000, -0.0003280600000000, 0.0006588200000000 ] - [ -0.0001689300000000, 0.0000975300000000, 0.0006611400000000 ] - [ 0.0000003400000000, 0.0000192700000000, 0.0002867300000000 ] - [ 0.0001665800000000, 0.0000962500000000, 0.0006596100000000 ] - [ -0.0000165200000000, -0.0000099300000000, 0.0002867300000000 ] - [ 0.0000190300000000, -0.0000109800000000, 0.0002845200000000 ] - [ -0.0000000600000000, -0.0001923900000000, 0.0006596100000000 ] - [ -0.0000933900000000, 0.0000539200000000, 0.0005228500000000 ] - [ -0.0000000100000000, 0.0000889500000000, 0.0004688600000000 ] - [ 0.0000923100000000, 0.0000540200000000, 0.0005214100000000 ] - [ -0.0000770400000000, -0.0000444700000000, 0.0004688600000000 ] - [ -0.0000006300000000, -0.0001069500000000, 0.0005214100000000 ] - [ 0.0000727000000000, -0.0000419700000000, 0.0004711400000000 ] - [ -0.0000008200000000, -0.0000160200000000, 0.0008049700000000 ] - [ -0.0000832300000000, 0.0000480500000000, 0.0004614800000000 ] - [ 0.0000866300000000, 0.0000502900000000, 0.0004632800000000 ] - [ 0.0000134600000000, 0.0000087200000000, 0.0008049700000000 ] - [ -0.0000153700000000, 0.0000088700000000, 0.0008067700000000 ] - [ -0.0000002300000000, -0.0001001700000000, 0.0004632800000000 ] - [ 0.0000100500000000, -0.0000058000000000, 0.0006138100000000 ] - [ -0.0000004500000000, -0.0001326200000000, 0.0008127200000000 ] - [ 0.0001146300000000, 0.0000667000000000, 0.0008127200000000 ] - [ -0.0000074500000000, -0.0000049100000000, 0.0006160400000000 ] - [ -0.0001161900000000, 0.0000670800000000, 0.0008141100000000 ] - [ 0.0000005300000000, 0.0000089100000000, 0.0006160400000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006900800000000, 0.0003984200000000, -0.0055199300000000 ] - [ 0.0001602300000000, -0.0000925100000000, -0.0092820200000000 ] - [ -0.0001263000000000, 0.0000729200000000, 0.0003004200000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0006538500000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0007191500000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0006974200000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0005209100000000 ] - [ -0.0000000300000000, 0.0000000100000000, 0.0004299000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0006525700000000 ] - [ 0.0000202300000000, -0.0000116800000000, 0.0007264800000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0006971900000000 ] - [ -0.0000004800000000, 0.0000002800000000, 0.0005218700000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0004326700000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0006534400000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0007219700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0014305100000000 ] - [ 0.0006017600000000, -0.0003474300000000, -0.0101154700000000 ] - [ 0.0000920400000000, -0.0000531400000000, 0.0013243900000000 ] - [ -0.0000050400000000, 0.0000029100000000, 0.0013094300000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0010817900000000 ] - [ -0.0003744600000000, 0.0002161900000000, 0.0013617400000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0012398300000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0013133900000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0013089400000000 ] - [ -0.0000041100000000, 0.0000023700000000, 0.0010814000000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0014321000000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0012464900000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0013174500000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0013135300000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0010791500000000 ] - [ -0.0002964400000000, 0.0001711500000000, -0.0099316500000000 ] - [ -0.0001227700000000, 0.0000708800000000, 0.0003861000000000 ] - [ 0.0000100700000000, -0.0000058200000000, 0.0005072400000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0003417800000000 ] - [ -0.0000003700000000, 0.0000002100000000, 0.0005199900000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0005362800000000 ] - [ -0.0000006000000000, 0.0000003500000000, 0.0003354800000000 ] - [ 0.0000025900000000, -0.0000015000000000, 0.0005107700000000 ] - [ -0.0000003500000000, 0.0000002000000000, 0.0003416500000000 ] - [ -0.0000859100000000, 0.0000496000000000, 0.0005370500000000 ] - [ 0.0000006800000000, -0.0000003900000000, 0.0005379500000000 ] - [ -0.0000006700000000, 0.0000003900000000, 0.0003377800000000 ] - [ 0.0000029700000000, -0.0000017200000000, 0.0005119900000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0003392900000000 ] - [ -0.0000007200000000, 0.0000004100000000, 0.0005232500000000 ] - [ 0.0016828500000000, -0.0009715900000000, 0.0007908500000000 ] - [ 0.0187277800000000, -0.0108124900000000, -0.0320909300000000 ] - [ -0.0000019600000000, 0.0000011300000000, 0.0013844100000000 ] - [ 0.0014893000000000, -0.0008598500000000, -0.0008722200000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0013550000000000 ] - [ -0.0000004100000000, 0.0000002400000000, 0.0014745200000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0007229600000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0013822600000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0003360200000000 ] - [ 0.0000137900000000, -0.0000079600000000, 0.0013467300000000 ] - [ -0.0000009400000000, 0.0000005400000000, 0.0014745500000000 ] - [ 0.0000005500000000, -0.0000003200000000, 0.0007236700000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0013897200000000 ] - [ -0.0000009600000000, 0.0000005600000000, 0.0003480500000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0013559400000000 ] - [ -0.0001016900000000, 0.0000587100000000, -0.0003399600000000 ] - [ 0.0033431200000000, 0.0040375300000000, -0.0046693400000000 ] - [ 0.0001038300000000, 0.0000588900000000, -0.0003377700000000 ] - [ -0.0018250400000000, -0.0049139900000000, -0.0046693400000000 ] - [ -0.0011856200000000, 0.0006845200000000, 0.0032025000000000 ] - [ 0.0000009200000000, -0.0001193600000000, -0.0003377700000000 ] - [ -0.0289193800000000, 0.0166966100000000, 0.0537187600000000 ] - [ 0.0039854700000000, 0.0025220400000000, -0.0032145600000000 ] - [ 0.0038273900000000, 0.0013903700000000, 0.0117942900000000 ] - [ -0.0001914100000000, -0.0047125400000000, -0.0032145600000000 ] - [ -0.0002744500000000, 0.0001584500000000, 0.0024671800000000 ] - [ 0.0007096000000000, -0.0040098000000000, 0.0117942900000000 ] - [ -0.0005632200000000, 0.0003251700000000, -0.0017081500000000 ] - [ 0.0000265400000000, 0.0000354000000000, -0.0006301200000000 ] - [ 0.0001607100000000, 0.0002240300000000, -0.0004424600000000 ] - [ -0.0000173800000000, -0.0000406900000000, -0.0006301200000000 ] - [ -0.0001136600000000, -0.0002511900000000, -0.0004424600000000 ] - [ 0.0000179800000000, -0.0000103800000000, -0.0005794000000000 ] - [ -0.0000005200000000, 0.0000191300000000, -0.0004746800000000 ] - [ -0.0000048100000000, 0.0000027800000000, -0.0006108700000000 ] - [ 0.0000062800000000, 0.0000050100000000, -0.0005977000000000 ] - [ -0.0000168200000000, -0.0000091200000000, -0.0004746800000000 ] - [ 0.0000145100000000, -0.0000083800000000, -0.0004714100000000 ] - [ -0.0000011900000000, -0.0000079400000000, -0.0005977000000000 ] - [ 0.0001715600000000, -0.0000990500000000, -0.0003912300000000 ] - [ -0.0000005500000000, -0.0001314600000000, -0.0004784800000000 ] - [ 0.0001135800000000, 0.0000662000000000, -0.0004784800000000 ] - [ -0.0001691200000000, -0.0000981800000000, -0.0003891900000000 ] - [ -0.0001152600000000, 0.0000665400000000, -0.0004769900000000 ] - [ 0.0000004700000000, 0.0001955500000000, -0.0003891900000000 ] - [ 0.0000833200000000, -0.0000481100000000, -0.0008396900000000 ] - [ -0.0000007200000000, 0.0001744900000000, -0.0006444600000000 ] - [ 0.0000316000000000, 0.0002514400000000, -0.0001764100000000 ] - [ -0.0001514700000000, -0.0000866200000000, -0.0006444600000000 ] - [ 0.0001523200000000, -0.0000879400000000, -0.0006432700000000 ] - [ -0.0002019600000000, -0.0001530900000000, -0.0001764100000000 ] - [ -0.0000587500000000, 0.0000339200000000, -0.0005967200000000 ] - [ 0.0000004600000000, 0.0002040700000000, -0.0007284300000000 ] - [ 0.0000557700000000, 0.0000323500000000, -0.0005986700000000 ] - [ -0.0001764900000000, -0.0001024300000000, -0.0007284300000000 ] - [ 0.0001787400000000, -0.0001031900000000, -0.0007302900000000 ] - [ -0.0000001300000000, -0.0000644800000000, -0.0005986700000000 ] - [ -0.0001079200000000, 0.0000623100000000, -0.0007718300000000 ] - [ 0.0000000100000000, 0.0000230200000000, -0.0006174000000000 ] - [ 0.0001063600000000, 0.0000622500000000, -0.0007734600000000 ] - [ -0.0000199300000000, -0.0000115200000000, -0.0006174000000000 ] - [ -0.0000007300000000, -0.0001232400000000, -0.0007734600000000 ] - [ 0.0000156500000000, -0.0000090400000000, -0.0006152400000000 ] - [ -0.0000007700000000, 0.0000200500000000, -0.0004744000000000 ] - [ -0.0000025300000000, 0.0000014600000000, -0.0006002300000000 ] - [ 0.0000060000000000, 0.0000037500000000, -0.0005983200000000 ] - [ -0.0000177500000000, -0.0000093600000000, -0.0004744000000000 ] - [ 0.0000153400000000, -0.0000088600000000, -0.0004713600000000 ] - [ -0.0000002500000000, -0.0000070800000000, -0.0005983200000000 ] - [ 0.0001704400000000, -0.0000984000000000, -0.0003923100000000 ] - [ 0.0000150800000000, -0.0001205500000000, -0.0004989900000000 ] - [ 0.0001119400000000, 0.0000472100000000, -0.0004989900000000 ] - [ -0.0001671500000000, -0.0000947800000000, -0.0003851200000000 ] - [ -0.0001074700000000, 0.0000620500000000, -0.0004323900000000 ] - [ -0.0000015000000000, 0.0001921500000000, -0.0003851200000000 ] - [ -0.0001023700000000, 0.0000591000000000, -0.0003401400000000 ] - [ -0.0000008800000000, 0.0001747900000000, -0.0006437800000000 ] - [ 0.0001039900000000, 0.0000590700000000, -0.0003386600000000 ] - [ -0.0001518100000000, -0.0000866400000000, -0.0006437800000000 ] - [ 0.0001524200000000, -0.0000880000000000, -0.0006427000000000 ] - [ 0.0000008400000000, -0.0001196000000000, -0.0003386600000000 ] - [ -0.0000601000000000, 0.0000347000000000, -0.0005953200000000 ] - [ 0.0000003800000000, 0.0002077000000000, -0.0007329100000000 ] - [ 0.0000576200000000, 0.0000333900000000, -0.0005969300000000 ] - [ -0.0001796900000000, -0.0001041800000000, -0.0007329100000000 ] - [ 0.0001819900000000, -0.0001050700000000, -0.0007350000000000 ] - [ -0.0000001100000000, -0.0000665900000000, -0.0005969300000000 ] - [ -0.0001076000000000, 0.0000621300000000, -0.0007759300000000 ] - [ -0.0000000700000000, 0.0000227200000000, -0.0006185100000000 ] - [ 0.0001063500000000, 0.0000621700000000, -0.0007771900000000 ] - [ -0.0000197100000000, -0.0000113000000000, -0.0006185100000000 ] - [ -0.0000006700000000, -0.0001231900000000, -0.0007771900000000 ] - [ 0.0000152900000000, -0.0000088300000000, -0.0006162900000000 ] - [ -0.0000008100000000, 0.0000175300000000, -0.0004705400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0006058500000000 ] - [ 0.0000034100000000, 0.0000022800000000, -0.0006040400000000 ] - [ -0.0000155900000000, -0.0000080700000000, -0.0004705400000000 ] - [ 0.0000134900000000, -0.0000077900000000, -0.0004684700000000 ] - [ -0.0000002700000000, -0.0000041000000000, -0.0006040400000000 ] - [ 0.0001724300000000, -0.0000995500000000, -0.0003918300000000 ] - [ -0.0000004800000000, -0.0001320200000000, -0.0004794300000000 ] - [ 0.0001141000000000, 0.0000664300000000, -0.0004794300000000 ] - [ -0.0001699000000000, -0.0000986500000000, -0.0003896500000000 ] - [ -0.0001157900000000, 0.0000668500000000, -0.0004779300000000 ] - [ 0.0000004800000000, 0.0001964600000000, -0.0003896500000000 ]- atom: 68 displacement: [ -0.0050000000070399, 0.0086602540337799, 0.0000000000000000 ] forces: - [ -0.0001034300000000, -0.0000941900000000, 0.0003226600000000 ] - [ -0.0004851800000000, 0.0014142200000000, 0.0003173200000000 ] - [ -0.0003992800000000, -0.0001645600000000, -0.0013106200000000 ] - [ -0.0000007000000000, -0.0000009600000000, 0.0001484800000000 ] - [ 0.0000000900000000, -0.0000000100000000, 0.0002166200000000 ] - [ 0.0000003800000000, 0.0000000100000000, 0.0001995400000000 ] - [ -0.0000000700000000, 0.0000000600000000, 0.0000078900000000 ] - [ 0.0000001300000000, -0.0000002900000000, -0.0000698800000000 ] - [ 0.0000000400000000, 0.0000000400000000, 0.0001458000000000 ] - [ -0.0000001700000000, -0.0000007800000000, 0.0002184600000000 ] - [ 0.0000006700000000, -0.0000007500000000, 0.0001993900000000 ] - [ -0.0000001200000000, -0.0000001400000000, 0.0000089600000000 ] - [ 0.0000003300000000, -0.0000001300000000, -0.0000668500000000 ] - [ 0.0000001000000000, -0.0000003200000000, 0.0001466000000000 ] - [ 0.0000000500000000, -0.0000002800000000, 0.0002193300000000 ] - [ 0.0000002300000000, -0.0000004000000000, 0.0002920100000000 ] - [ 0.0001142500000000, 0.0031689900000000, -0.0029569200000000 ] - [ -0.0003300600000000, -0.0002961400000000, 0.0006889700000000 ] - [ 0.0000153600000000, 0.0000158700000000, 0.0002152400000000 ] - [ 0.0000006100000000, -0.0000001700000000, -0.0000437100000000 ] - [ 0.0000094300000000, 0.0000091300000000, 0.0002887200000000 ] - [ 0.0000004600000000, -0.0000003600000000, 0.0001194800000000 ] - [ 0.0000001300000000, -0.0000003200000000, 0.0001813900000000 ] - [ 0.0000004900000000, -0.0000005000000000, 0.0002253500000000 ] - [ 0.0000004000000000, -0.0000001600000000, -0.0000442100000000 ] - [ 0.0000003700000000, -0.0000004600000000, 0.0002938500000000 ] - [ 0.0000002800000000, -0.0000002300000000, 0.0001260400000000 ] - [ 0.0000000100000000, -0.0000002400000000, 0.0001861300000000 ] - [ 0.0000003800000000, -0.0000003900000000, 0.0002302300000000 ] - [ 0.0000000500000000, -0.0000000200000000, -0.0000466700000000 ] - [ -0.0014198600000000, -0.0000830000000000, -0.0005254000000000 ] - [ 0.0004599300000000, 0.0005419800000000, 0.0000929900000000 ] - [ -0.0000192400000000, -0.0000239800000000, 0.0000128900000000 ] - [ -0.0000000700000000, -0.0000003700000000, -0.0001382900000000 ] - [ -0.0000003000000000, -0.0000000400000000, 0.0000402900000000 ] - [ 0.0000006600000000, -0.0000004400000000, 0.0000666200000000 ] - [ -0.0000004000000000, 0.0000000900000000, -0.0001422000000000 ] - [ 0.0000028800000000, -0.0000016700000000, 0.0001116800000000 ] - [ 0.0000005100000000, -0.0000002600000000, -0.0001382000000000 ] - [ 0.0000014700000000, 0.0000022700000000, 0.0000454700000000 ] - [ 0.0000009300000000, -0.0000005400000000, 0.0000684000000000 ] - [ -0.0000004700000000, 0.0000001200000000, -0.0001399500000000 ] - [ 0.0000032300000000, -0.0000018600000000, 0.0001131000000000 ] - [ 0.0000003400000000, -0.0000001400000000, -0.0001403000000000 ] - [ -0.0000005600000000, 0.0000001200000000, 0.0000433500000000 ] - [ -0.0000367700000000, -0.0000356700000000, 0.0004996100000000 ] - [ 0.0007945100000000, 0.0006948200000000, -0.0000000700000000 ] - [ 0.0000075900000000, 0.0000059800000000, 0.0004915400000000 ] - [ -0.0012413400000000, 0.0276048700000000, -0.0216714000000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0004880100000000 ] - [ -0.0000001900000000, 0.0000002000000000, 0.0006081700000000 ] - [ 0.0000010300000000, -0.0000008500000000, -0.0002956000000000 ] - [ 0.0000003700000000, -0.0000004700000000, 0.0004784600000000 ] - [ -0.0000003600000000, 0.0000001700000000, -0.0005304700000000 ] - [ -0.0000010500000000, -0.0000000600000000, 0.0004833600000000 ] - [ -0.0000017800000000, 0.0000010400000000, 0.0006085400000000 ] - [ 0.0000006700000000, -0.0000005100000000, -0.0002949800000000 ] - [ -0.0000000800000000, 0.0000000200000000, 0.0004853900000000 ] - [ -0.0000009200000000, 0.0000006200000000, -0.0005180900000000 ] - [ 0.0000000900000000, -0.0000001900000000, 0.0004886900000000 ] - [ -0.0001710900000000, 0.0000986000000000, 0.0000790200000000 ] - [ -0.0000957000000000, 0.0003427600000000, -0.0002514500000000 ] - [ 0.0001736800000000, 0.0000988100000000, 0.0000810300000000 ] - [ -0.0001221600000000, -0.0000955200000000, -0.0000163800000000 ] - [ 0.0001820000000000, -0.0002191100000000, -0.0001683800000000 ] - [ 0.0000011600000000, -0.0001998600000000, 0.0000812100000000 ] - [ 0.0006383500000000, -0.0006335800000000, -0.0000614200000000 ] - [ 0.0108445700000000, -0.0588048600000000, 0.0274167900000000 ] - [ -0.0028430600000000, 0.0005696000000000, -0.0039697800000000 ] - [ 0.0095577100000000, 0.0098721700000000, 0.0029262200000000 ] - [ -0.0133336200000000, 0.0191312800000000, 0.0035306800000000 ] - [ -0.0002385400000000, 0.0001154400000000, 0.0004287600000000 ] - [ 0.0028848900000000, -0.0022150600000000, -0.0016304000000000 ] - [ -0.0001205100000000, 0.0003402900000000, -0.0001992500000000 ] - [ -0.0046291700000000, -0.0007736100000000, -0.0061979700000000 ] - [ -0.0001765000000000, -0.0001502200000000, -0.0000010100000000 ] - [ -0.0001085200000000, 0.0000348100000000, 0.0006836900000000 ] - [ 0.0001647200000000, -0.0002537500000000, -0.0001390600000000 ] - [ -0.0000015200000000, -0.0000068100000000, 0.0001021500000000 ] - [ -0.0000423600000000, 0.0000288800000000, -0.0001491900000000 ] - [ 0.0000492400000000, 0.0000306900000000, -0.0001802100000000 ] - [ 0.0000058900000000, 0.0000036900000000, 0.0001058900000000 ] - [ -0.0000081400000000, 0.0000032500000000, 0.0001054500000000 ] - [ 0.0000027100000000, -0.0000560000000000, -0.0001384100000000 ] - [ 0.0001127700000000, -0.0000651800000000, 0.0000428000000000 ] - [ -0.0000003100000000, -0.0001441100000000, 0.0000883000000000 ] - [ 0.0001243100000000, 0.0000720700000000, 0.0000886800000000 ] - [ -0.0001098700000000, -0.0000643600000000, 0.0000445900000000 ] - [ -0.0001256500000000, 0.0000725100000000, 0.0000899200000000 ] - [ 0.0000007400000000, 0.0001273400000000, 0.0000451800000000 ] - [ -0.0001718800000000, 0.0001072700000000, 0.0000793600000000 ] - [ -0.0000006500000000, 0.0000717800000000, -0.0001309700000000 ] - [ 0.0001709200000000, 0.0001003900000000, 0.0000650000000000 ] - [ -0.0000626400000000, -0.0000357200000000, -0.0001319600000000 ] - [ 0.0000637600000000, -0.0000369000000000, -0.0001307500000000 ] - [ 0.0000060300000000, -0.0002072700000000, 0.0000866700000000 ] - [ -0.0001258300000000, 0.0000725700000000, -0.0000328000000000 ] - [ 0.0000006300000000, 0.0001398300000000, -0.0002906900000000 ] - [ 0.0001233000000000, 0.0000710000000000, -0.0000351600000000 ] - [ -0.0001208300000000, -0.0000706400000000, -0.0002914700000000 ] - [ 0.0001234000000000, -0.0000714200000000, -0.0002930800000000 ] - [ 0.0000001000000000, -0.0001422000000000, -0.0000345000000000 ] - [ -0.0001157600000000, 0.0000666400000000, -0.0002146400000000 ] - [ 0.0000002100000000, 0.0000537300000000, -0.0001600900000000 ] - [ 0.0001148200000000, 0.0000666500000000, -0.0002159900000000 ] - [ -0.0000465500000000, -0.0000272800000000, -0.0001598700000000 ] - [ -0.0000005300000000, -0.0001328000000000, -0.0002163000000000 ] - [ 0.0000426800000000, -0.0000247200000000, -0.0001578200000000 ] - [ -0.0000006400000000, -0.0000098300000000, 0.0001037600000000 ] - [ -0.0000319900000000, 0.0000183500000000, -0.0001415000000000 ] - [ 0.0000358200000000, 0.0000205600000000, -0.0001393400000000 ] - [ 0.0000078900000000, 0.0000052200000000, 0.0001040700000000 ] - [ -0.0000099900000000, 0.0000056800000000, 0.0001062800000000 ] - [ 0.0000000200000000, -0.0000414100000000, -0.0001399500000000 ] - [ 0.0001102200000000, -0.0000637400000000, 0.0000457300000000 ] - [ -0.0000004800000000, -0.0001413300000000, 0.0000840100000000 ] - [ 0.0001221400000000, 0.0000705200000000, 0.0000865000000000 ] - [ -0.0001071300000000, -0.0000627800000000, 0.0000476800000000 ] - [ -0.0001231700000000, 0.0000705600000000, 0.0000859600000000 ] - [ 0.0000007300000000, 0.0001241400000000, 0.0000482500000000 ] - [ -0.0001708900000000, 0.0000984600000000, 0.0000779800000000 ] - [ -0.0000007100000000, 0.0000728200000000, -0.0001315800000000 ] - [ 0.0001730100000000, 0.0000985400000000, 0.0000795600000000 ] - [ -0.0000636300000000, -0.0000362300000000, -0.0001325500000000 ] - [ 0.0000647200000000, -0.0000374800000000, -0.0001312800000000 ] - [ 0.0000010400000000, -0.0001991700000000, 0.0000797500000000 ] - [ -0.0001259700000000, 0.0000726200000000, -0.0000328700000000 ] - [ 0.0000005700000000, 0.0001424100000000, -0.0002965800000000 ] - [ 0.0001238600000000, 0.0000712300000000, -0.0000349400000000 ] - [ -0.0001229400000000, -0.0000718600000000, -0.0002973600000000 ] - [ 0.0001257300000000, -0.0000728200000000, -0.0002990900000000 ] - [ 0.0000001300000000, -0.0001428500000000, -0.0000343900000000 ] - [ -0.0001150000000000, 0.0000662600000000, -0.0002193300000000 ] - [ 0.0000001400000000, 0.0000527200000000, -0.0001597200000000 ] - [ 0.0001143400000000, 0.0000663200000000, -0.0002205000000000 ] - [ -0.0000457200000000, -0.0000267000000000, -0.0001593500000000 ] - [ -0.0000004200000000, -0.0001323300000000, -0.0002208100000000 ] - [ 0.0000417100000000, -0.0000241700000000, -0.0001572500000000 ] - [ -0.0000005900000000, -0.0000120300000000, 0.0001063000000000 ] - [ -0.0000284700000000, 0.0000162600000000, -0.0001476500000000 ] - [ 0.0000323300000000, 0.0000185700000000, -0.0001454700000000 ] - [ 0.0000099400000000, 0.0000063000000000, 0.0001066400000000 ] - [ -0.0000117400000000, 0.0000066500000000, 0.0001086800000000 ] - [ -0.0000000700000000, -0.0000373700000000, -0.0001460100000000 ] - [ 0.0001137500000000, -0.0000658300000000, 0.0000416800000000 ] - [ -0.0000002200000000, -0.0001444800000000, 0.0000870800000000 ] - [ 0.0001246900000000, 0.0000722200000000, 0.0000874700000000 ] - [ -0.0001107300000000, -0.0000648600000000, 0.0000436800000000 ] - [ -0.0001260300000000, 0.0000727300000000, 0.0000887600000000 ] - [ 0.0000006600000000, 0.0001283600000000, 0.0000441000000000 ]- atom: 68 displacement: [ 0.0050000000070399, -0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0001060600000000, 0.0000925400000000, -0.0000874300000000 ] - [ 0.0004814000000000, -0.0013670600000000, -0.0004067100000000 ] - [ 0.0004069800000000, 0.0001306100000000, 0.0009897600000000 ] - [ 0.0000008200000000, 0.0000006600000000, -0.0000098800000000 ] - [ -0.0000000100000000, -0.0000002600000000, 0.0000591500000000 ] - [ 0.0000004900000000, -0.0000004600000000, 0.0000433100000000 ] - [ -0.0000002900000000, -0.0000000800000000, -0.0001529500000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0002272100000000 ] - [ -0.0000000400000000, -0.0000002500000000, -0.0000103000000000 ] - [ 0.0000006400000000, 0.0000002700000000, 0.0000602200000000 ] - [ 0.0000005900000000, 0.0000000200000000, 0.0000434800000000 ] - [ -0.0000004100000000, 0.0000002200000000, -0.0001519800000000 ] - [ 0.0000000900000000, -0.0000003300000000, -0.0002243100000000 ] - [ 0.0000002800000000, -0.0000001300000000, -0.0000094800000000 ] - [ 0.0000002500000000, -0.0000001300000000, 0.0000620700000000 ] - [ 0.0000001600000000, -0.0000002200000000, -0.0000604300000000 ] - [ -0.0001586400000000, -0.0031784800000000, 0.0028591700000000 ] - [ 0.0003267000000000, 0.0002974200000000, -0.0006642200000000 ] - [ -0.0000150600000000, -0.0000163200000000, -0.0000976100000000 ] - [ 0.0000002000000000, -0.0000005600000000, -0.0003972800000000 ] - [ -0.0000096900000000, -0.0000093300000000, -0.0000539900000000 ] - [ 0.0000004000000000, -0.0000003600000000, -0.0002366300000000 ] - [ 0.0000000400000000, -0.0000002200000000, -0.0001689600000000 ] - [ 0.0000003900000000, -0.0000002900000000, -0.0001128000000000 ] - [ 0.0000001600000000, -0.0000003900000000, -0.0003976600000000 ] - [ 0.0000002900000000, -0.0000003500000000, -0.0000590700000000 ] - [ 0.0000002200000000, -0.0000002300000000, -0.0002300600000000 ] - [ -0.0000001800000000, -0.0000001300000000, -0.0001644700000000 ] - [ 0.0000002800000000, -0.0000002700000000, -0.0001079600000000 ] - [ 0.0000000300000000, -0.0000002600000000, -0.0004001400000000 ] - [ 0.0014374100000000, -0.0002238800000000, 0.0007239700000000 ] - [ -0.0004559800000000, -0.0005446300000000, -0.0005238400000000 ] - [ 0.0000247100000000, 0.0000208500000000, 0.0000930700000000 ] - [ 0.0000004100000000, 0.0000001900000000, -0.0002884300000000 ] - [ -0.0000003800000000, -0.0000001800000000, -0.0001081400000000 ] - [ 0.0000005700000000, -0.0000004600000000, -0.0000812800000000 ] - [ -0.0000004900000000, 0.0000000900000000, -0.0002901200000000 ] - [ 0.0000027800000000, -0.0000016200000000, -0.0000118500000000 ] - [ 0.0000004000000000, -0.0000002800000000, -0.0002896900000000 ] - [ -0.0000024800000000, -0.0000018000000000, -0.0001085800000000 ] - [ 0.0000008400000000, -0.0000006100000000, -0.0000793600000000 ] - [ -0.0000005600000000, 0.0000001400000000, -0.0002881400000000 ] - [ 0.0000031500000000, -0.0000018200000000, -0.0000106700000000 ] - [ 0.0000002600000000, -0.0000001700000000, -0.0002916800000000 ] - [ -0.0000006400000000, 0.0000001500000000, -0.0001047800000000 ] - [ 0.0000380400000000, 0.0000363400000000, 0.0004299700000000 ] - [ -0.0008045800000000, -0.0006886700000000, -0.0009366700000000 ] - [ -0.0000062000000000, -0.0000067700000000, 0.0001880900000000 ] - [ 0.0013974900000000, -0.0262696500000000, 0.0192458400000000 ] - [ -0.0000000800000000, -0.0000002300000000, 0.0002158400000000 ] - [ -0.0000003300000000, 0.0000000800000000, 0.0003405700000000 ] - [ 0.0000011400000000, -0.0000008000000000, -0.0006150200000000 ] - [ 0.0000002600000000, -0.0000000600000000, 0.0001997600000000 ] - [ -0.0000003400000000, 0.0000001600000000, -0.0008037500000000 ] - [ -0.0000004700000000, 0.0000005400000000, 0.0002125300000000 ] - [ -0.0000009200000000, 0.0000003800000000, 0.0003406000000000 ] - [ 0.0000005800000000, -0.0000005900000000, -0.0006156100000000 ] - [ -0.0000000400000000, 0.0000000500000000, 0.0002058000000000 ] - [ -0.0000007500000000, 0.0000003500000000, -0.0007922500000000 ] - [ 0.0000000400000000, -0.0000002500000000, 0.0002167500000000 ] - [ -0.0001958700000000, 0.0001129100000000, 0.0002145400000000 ] - [ 0.0000955800000000, -0.0002380800000000, 0.0001624500000000 ] - [ 0.0001983100000000, 0.0001131500000000, 0.0002165400000000 ] - [ 0.0000308300000000, 0.0000426100000000, -0.0000743800000000 ] - [ -0.0000903700000000, 0.0001660900000000, 0.0000840900000000 ] - [ 0.0000010700000000, -0.0002283200000000, 0.0002166800000000 ] - [ -0.0008743200000000, 0.0007986500000000, 0.0001277200000000 ] - [ -0.0110061300000000, 0.0581027000000000, -0.0270276500000000 ] - [ 0.0031159500000000, -0.0004003700000000, 0.0041156600000000 ] - [ -0.0097512500000000, -0.0099941700000000, -0.0033633000000000 ] - [ 0.0135295100000000, -0.0192386700000000, -0.0039674500000000 ] - [ 0.0002335500000000, -0.0004287300000000, -0.0003134800000000 ] - [ -0.0031280300000000, 0.0023303100000000, 0.0013920800000000 ] - [ 0.0001197300000000, -0.0002248700000000, 0.0000218100000000 ] - [ 0.0048255200000000, 0.0008643500000000, 0.0058653900000000 ] - [ 0.0000760200000000, 0.0000924000000000, -0.0001763400000000 ] - [ 0.0001180300000000, -0.0003130300000000, -0.0009517900000000 ] - [ -0.0000720500000000, 0.0001998300000000, -0.0000365500000000 ] - [ 0.0000002400000000, -0.0000123200000000, 0.0002759600000000 ] - [ -0.0000391100000000, 0.0000178300000000, 0.0000153200000000 ] - [ 0.0000395100000000, 0.0000204000000000, 0.0000500000000000 ] - [ 0.0000094500000000, 0.0000064800000000, 0.0002727800000000 ] - [ -0.0000114900000000, 0.0000078700000000, 0.0002775700000000 ] - [ -0.0000028500000000, -0.0000465800000000, 0.0000071000000000 ] - [ 0.0000863600000000, -0.0000501500000000, 0.0001832900000000 ] - [ -0.0000003300000000, -0.0001385200000000, 0.0002594900000000 ] - [ 0.0001194700000000, 0.0000693700000000, 0.0002599200000000 ] - [ -0.0000835200000000, -0.0000491300000000, 0.0001853900000000 ] - [ -0.0001209700000000, 0.0000698300000000, 0.0002612100000000 ] - [ 0.0000005300000000, 0.0000969800000000, 0.0001857300000000 ] - [ -0.0001989200000000, 0.0001064700000000, 0.0002192400000000 ] - [ -0.0000007700000000, 0.0000376500000000, 0.0000347700000000 ] - [ 0.0002040400000000, 0.0001135500000000, 0.0002371900000000 ] - [ -0.0000330600000000, -0.0000185600000000, 0.0000338700000000 ] - [ 0.0000340200000000, -0.0000197700000000, 0.0000350500000000 ] - [ -0.0000040300000000, -0.0002246300000000, 0.0002157800000000 ] - [ -0.0001378100000000, 0.0000794500000000, 0.0001314800000000 ] - [ 0.0000005400000000, 0.0001068500000000, -0.0001505100000000 ] - [ 0.0001351900000000, 0.0000778700000000, 0.0001291300000000 ] - [ -0.0000922900000000, -0.0000540400000000, -0.0001512400000000 ] - [ 0.0000946400000000, -0.0000548100000000, -0.0001527800000000 ] - [ 0.0000000600000000, -0.0001562900000000, 0.0001300200000000 ] - [ -0.0001069000000000, 0.0000616000000000, -0.0000450000000000 ] - [ 0.0000001200000000, 0.0000626800000000, -0.0000128400000000 ] - [ 0.0001057600000000, 0.0000615900000000, -0.0000464100000000 ] - [ -0.0000543400000000, -0.0000317000000000, -0.0000127400000000 ] - [ -0.0000005700000000, -0.0001225800000000, -0.0000467500000000 ] - [ 0.0000503100000000, -0.0000291500000000, -0.0000106000000000 ] - [ -0.0000007200000000, -0.0000085400000000, 0.0002759900000000 ] - [ -0.0000502800000000, 0.0000289000000000, 0.0000106100000000 ] - [ 0.0000538800000000, 0.0000310900000000, 0.0000127300000000 ] - [ 0.0000066500000000, 0.0000046200000000, 0.0002760600000000 ] - [ -0.0000089100000000, 0.0000050700000000, 0.0002783500000000 ] - [ 0.0000002600000000, -0.0000625500000000, 0.0000118800000000 ] - [ 0.0000837100000000, -0.0000486200000000, 0.0001862300000000 ] - [ 0.0000001800000000, -0.0001382700000000, 0.0002561900000000 ] - [ 0.0001192200000000, 0.0000691700000000, 0.0002545000000000 ] - [ -0.0000807900000000, -0.0000475100000000, 0.0001883500000000 ] - [ -0.0001201500000000, 0.0000698900000000, 0.0002571100000000 ] - [ 0.0000005100000000, 0.0000937500000000, 0.0001887800000000 ] - [ -0.0001953200000000, 0.0001125800000000, 0.0002141000000000 ] - [ -0.0000008200000000, 0.0000373200000000, 0.0000346300000000 ] - [ 0.0001972800000000, 0.0001126500000000, 0.0002156700000000 ] - [ -0.0000328600000000, -0.0000183600000000, 0.0000337500000000 ] - [ 0.0000337800000000, -0.0000196300000000, 0.0000350300000000 ] - [ 0.0000009800000000, -0.0002272300000000, 0.0002158400000000 ] - [ -0.0001374100000000, 0.0000792200000000, 0.0001318800000000 ] - [ 0.0000005100000000, 0.0001111000000000, -0.0001552400000000 ] - [ 0.0001351800000000, 0.0000778300000000, 0.0001298300000000 ] - [ -0.0000958800000000, -0.0000560900000000, -0.0001558200000000 ] - [ 0.0000984600000000, -0.0000569800000000, -0.0001575300000000 ] - [ 0.0000000700000000, -0.0001561500000000, 0.0001306800000000 ] - [ -0.0001074000000000, 0.0000618900000000, -0.0000493700000000 ] - [ 0.0000000500000000, 0.0000619600000000, -0.0000131800000000 ] - [ 0.0001065800000000, 0.0000619600000000, -0.0000506200000000 ] - [ -0.0000537400000000, -0.0000312700000000, -0.0000130400000000 ] - [ -0.0000005000000000, -0.0001234900000000, -0.0000508800000000 ] - [ 0.0000495700000000, -0.0000287300000000, -0.0000108000000000 ] - [ -0.0000006400000000, -0.0000100800000000, 0.0002778500000000 ] - [ -0.0000475800000000, 0.0000273300000000, 0.0000045000000000 ] - [ 0.0000512700000000, 0.0000296200000000, 0.0000067000000000 ] - [ 0.0000080800000000, 0.0000053300000000, 0.0002781300000000 ] - [ -0.0000100100000000, 0.0000056900000000, 0.0002801700000000 ] - [ -0.0000001200000000, -0.0000593600000000, 0.0000061100000000 ] - [ 0.0000866800000000, -0.0000502800000000, 0.0001825700000000 ] - [ -0.0000002800000000, -0.0001385900000000, 0.0002581500000000 ] - [ 0.0001195900000000, 0.0000693400000000, 0.0002585900000000 ] - [ -0.0000838100000000, -0.0000492600000000, 0.0001845600000000 ] - [ -0.0001210900000000, 0.0000698800000000, 0.0002598700000000 ] - [ 0.0000005700000000, 0.0000972100000000, 0.0001850600000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002027900000000, -0.0003057600000000 ] - [ 0.0000000000000000, -0.0001081600000000, 0.0040136600000000 ] - [ 0.0000000000000000, 0.0001415800000000, 0.0034286400000000 ] - [ 0.0000000000000000, 0.0000018400000000, -0.0004063800000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0003351400000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0003494400000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0005544900000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0006185100000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0004087800000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0003331800000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0003495300000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0005532300000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0006158700000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0004074500000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0003324100000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0009553000000000 ] - [ 0.0000000000000000, -0.0006296900000000, 0.0181508600000000 ] - [ 0.0000000000000000, 0.0006315000000000, -0.0009938100000000 ] - [ 0.0000000000000000, -0.0000564000000000, -0.0009818200000000 ] - [ 0.0000000000000000, -0.0000008400000000, -0.0012786000000000 ] - [ 0.0000000000000000, -0.0000343100000000, -0.0009587600000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0011174700000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0010583800000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0009638500000000 ] - [ 0.0000000000000000, -0.0000005700000000, -0.0012785200000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0009540000000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0011105800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0010536000000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0009591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012812300000000 ] - [ 0.0000000000000000, 0.0016584100000000, 0.0073797500000000 ] - [ 0.0000000000000000, -0.0010539900000000, -0.0003722900000000 ] - [ 0.0000000000000000, 0.0000785400000000, -0.0003467000000000 ] - [ 0.0000000000000000, 0.0000009200000000, -0.0006647600000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0004848500000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0004495300000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0006668400000000 ] - [ 0.0000000000000000, -0.0000015900000000, -0.0003249000000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0006649500000000 ] - [ 0.0000000000000000, -0.0000055400000000, -0.0004798400000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0004478300000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0006641300000000 ] - [ 0.0000000000000000, -0.0000017600000000, -0.0003234400000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0006670500000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0004815200000000 ] - [ 0.0000000000000000, 0.0001377600000000, -0.0004037100000000 ] - [ 0.0000000000000000, -0.0015572400000000, -0.0005856100000000 ] - [ 0.0000000000000000, -0.0000170800000000, -0.0004970300000000 ] - [ 0.0000000000000000, -0.0191594600000000, 0.0258494700000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0004660100000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0003376400000000 ] - [ 0.0000000000000000, -0.0000007500000000, -0.0014183500000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0005063400000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0014861600000000 ] - [ 0.0000000000000000, 0.0000016300000000, -0.0004696600000000 ] - [ 0.0000000000000000, 0.0000010200000000, -0.0003348200000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0014195800000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0004994100000000 ] - [ 0.0000000000000000, 0.0000005100000000, -0.0014750200000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0004646100000000 ] - [ -0.0002621500000000, 0.0001507000000000, 0.0005565800000000 ] - [ 0.0000000000000000, -0.0001210800000000, 0.0008440700000000 ] - [ 0.0002621500000000, 0.0001507000000000, 0.0005565800000000 ] - [ -0.0001250500000000, 0.0000552400000000, 0.0003012400000000 ] - [ 0.0001250500000000, 0.0000552400000000, 0.0003012400000000 ] - [ 0.0000000000000000, -0.0003033800000000, 0.0005577400000000 ] - [ -0.0049406000000000, -0.0018173000000000, 0.0030445100000000 ] - [ 0.0000000000000000, 0.0311754200000000, -0.0509475000000000 ] - [ 0.0049406000000000, -0.0018173000000000, 0.0030445100000000 ] - [ -0.0032550400000000, -0.0025765300000000, -0.0094088300000000 ] - [ 0.0032550400000000, -0.0025765300000000, -0.0094088300000000 ] - [ 0.0000000000000000, -0.0001350600000000, -0.0026413600000000 ] - [ -0.0066462000000000, -0.0013516300000000, 0.0044394200000000 ] - [ 0.0000000000000000, 0.0000582500000000, 0.0007634500000000 ] - [ 0.0066462000000000, -0.0013516300000000, 0.0044394200000000 ] - [ -0.0001628600000000, 0.0000807500000000, 0.0002369200000000 ] - [ 0.0000000000000000, 0.0000480800000000, -0.0035662400000000 ] - [ 0.0001628600000000, 0.0000807500000000, 0.0002369200000000 ] - [ 0.0000000000000000, -0.0000203200000000, 0.0007166000000000 ] - [ -0.0000961300000000, 0.0000403800000000, 0.0003823700000000 ] - [ 0.0000961300000000, 0.0000403800000000, 0.0003823700000000 ] - [ 0.0000174400000000, 0.0000123500000000, 0.0007105900000000 ] - [ -0.0000174400000000, 0.0000123500000000, 0.0007105900000000 ] - [ 0.0000000000000000, -0.0001021900000000, 0.0003202500000000 ] - [ 0.0000325200000000, -0.0000193800000000, 0.0005262400000000 ] - [ 0.0000000000000000, -0.0001422400000000, 0.0007011500000000 ] - [ 0.0001235500000000, 0.0000716400000000, 0.0007020700000000 ] - [ -0.0000325200000000, -0.0000193800000000, 0.0005262400000000 ] - [ -0.0001235500000000, 0.0000716400000000, 0.0007020700000000 ] - [ 0.0000000000000000, 0.0000365900000000, 0.0005272700000000 ] - [ -0.0002826700000000, 0.0001431700000000, 0.0005690600000000 ] - [ 0.0000000000000000, -0.0000477400000000, 0.0004463300000000 ] - [ 0.0002826700000000, 0.0001431700000000, 0.0005690600000000 ] - [ 0.0000404000000000, 0.0000236300000000, 0.0004456900000000 ] - [ -0.0000404000000000, 0.0000236300000000, 0.0004456900000000 ] - [ 0.0000000000000000, -0.0002996400000000, 0.0005307800000000 ] - [ -0.0001642300000000, 0.0000947700000000, 0.0005511300000000 ] - [ 0.0000000000000000, 0.0000442100000000, 0.0001948100000000 ] - [ 0.0001642300000000, 0.0000947700000000, 0.0005511300000000 ] - [ -0.0000391300000000, -0.0000230100000000, 0.0001933400000000 ] - [ 0.0000391300000000, -0.0000230100000000, 0.0001933400000000 ] - [ 0.0000000000000000, -0.0001881700000000, 0.0005508700000000 ] - [ -0.0001058700000000, 0.0000613800000000, 0.0003982200000000 ] - [ 0.0000000000000000, 0.0000862900000000, 0.0003561900000000 ] - [ 0.0001058700000000, 0.0000613800000000, 0.0003982200000000 ] - [ -0.0000726500000000, -0.0000420500000000, 0.0003573900000000 ] - [ 0.0000000000000000, -0.0001218800000000, 0.0003968100000000 ] - [ 0.0000726500000000, -0.0000420500000000, 0.0003573900000000 ] - [ 0.0000000000000000, -0.0000223900000000, 0.0007135700000000 ] - [ -0.0000772500000000, 0.0000446500000000, 0.0003700100000000 ] - [ 0.0000772500000000, 0.0000446500000000, 0.0003700100000000 ] - [ 0.0000198400000000, 0.0000119200000000, 0.0007139300000000 ] - [ -0.0000198400000000, 0.0000119200000000, 0.0007139300000000 ] - [ 0.0000000000000000, -0.0000913100000000, 0.0003704200000000 ] - [ 0.0000297300000000, -0.0000177500000000, 0.0005291200000000 ] - [ 0.0000000000000000, -0.0001398100000000, 0.0007006800000000 ] - [ 0.0001211200000000, 0.0000710100000000, 0.0006966500000000 ] - [ -0.0000297300000000, -0.0000177500000000, 0.0005291200000000 ] - [ -0.0001211200000000, 0.0000710100000000, 0.0006966500000000 ] - [ 0.0000000000000000, 0.0000331100000000, 0.0005303300000000 ] - [ -0.0002623700000000, 0.0001507900000000, 0.0005561800000000 ] - [ 0.0000000000000000, -0.0000451500000000, 0.0004435800000000 ] - [ 0.0002623700000000, 0.0001507900000000, 0.0005561800000000 ] - [ 0.0000382200000000, 0.0000224100000000, 0.0004434100000000 ] - [ -0.0000382200000000, 0.0000224100000000, 0.0004434100000000 ] - [ 0.0000000000000000, -0.0003031800000000, 0.0005571200000000 ] - [ -0.0001661600000000, 0.0000958200000000, 0.0005536500000000 ] - [ 0.0000000000000000, 0.0000480300000000, 0.0001906600000000 ] - [ 0.0001661600000000, 0.0000958200000000, 0.0005536500000000 ] - [ -0.0000425200000000, -0.0000249100000000, 0.0001891500000000 ] - [ 0.0000425200000000, -0.0000249100000000, 0.0001891500000000 ] - [ 0.0000000000000000, -0.0001907200000000, 0.0005532600000000 ] - [ -0.0001056500000000, 0.0000611800000000, 0.0003938400000000 ] - [ 0.0000000000000000, 0.0000854500000000, 0.0003558000000000 ] - [ 0.0001056500000000, 0.0000611800000000, 0.0003938400000000 ] - [ -0.0000717600000000, -0.0000415300000000, 0.0003573800000000 ] - [ 0.0000000000000000, -0.0001218500000000, 0.0003930200000000 ] - [ 0.0000717600000000, -0.0000415300000000, 0.0003573800000000 ] - [ 0.0000000000000000, -0.0000261900000000, 0.0007161800000000 ] - [ -0.0000729800000000, 0.0000421400000000, 0.0003624900000000 ] - [ 0.0000729800000000, 0.0000421400000000, 0.0003624900000000 ] - [ 0.0000230500000000, 0.0000136900000000, 0.0007174900000000 ] - [ -0.0000230500000000, 0.0000136900000000, 0.0007174900000000 ] - [ 0.0000000000000000, -0.0000863700000000, 0.0003630000000000 ] - [ 0.0000328500000000, -0.0000193400000000, 0.0005256500000000 ] - [ 0.0000000000000000, -0.0001417400000000, 0.0006993100000000 ] - [ 0.0001231200000000, 0.0000712700000000, 0.0007003700000000 ] - [ -0.0000328500000000, -0.0000193400000000, 0.0005256500000000 ] - [ -0.0001231200000000, 0.0000712700000000, 0.0007003700000000 ] - [ 0.0000000000000000, 0.0000364200000000, 0.0005267700000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002013000000000, 0.0005404600000000 ] - [ 0.0000000000000000, 0.0002166500000000, -0.0039890200000000 ] - [ 0.0000000000000000, -0.0002271600000000, -0.0038576900000000 ] - [ 0.0000000000000000, -0.0000018200000000, 0.0005437100000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0006098700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0005900900000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0004113500000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0003221900000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005428900000000 ] - [ 0.0000000000000000, -0.0000013300000000, 0.0006109300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0005901700000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0004124700000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0003253900000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0005436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006127500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0011808000000000 ] - [ 0.0000000000000000, 0.0006300900000000, -0.0182234200000000 ] - [ 0.0000000000000000, -0.0006372200000000, 0.0010133800000000 ] - [ 0.0000000000000000, 0.0000569700000000, 0.0010954100000000 ] - [ 0.0000000000000000, 0.0000004800000000, 0.0008385600000000 ] - [ 0.0000000000000000, 0.0000338600000000, 0.0011865900000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0010054900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0010662300000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0010727600000000 ] - [ 0.0000000000000000, 0.0000003600000000, 0.0008380800000000 ] - [ 0.0000000000000000, -0.0000002000000000, 0.0011823700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0010121200000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0010706600000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0010773800000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0008358700000000 ] - [ 0.0000000000000000, -0.0018708000000000, -0.0072167900000000 ] - [ 0.0000000000000000, 0.0010642400000000, -0.0000615500000000 ] - [ 0.0000000000000000, -0.0000824400000000, 0.0004504100000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0002375100000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004146700000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0004381200000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0002325000000000 ] - [ 0.0000000000000000, -0.0000014200000000, 0.0004223900000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0002369500000000 ] - [ 0.0000000000000000, 0.0000059100000000, 0.0004143400000000 ] - [ 0.0000000000000000, -0.0000003900000000, 0.0004397500000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0002346300000000 ] - [ 0.0000000000000000, -0.0000016500000000, 0.0004239100000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0002347300000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0004179700000000 ] - [ 0.0000000000000000, -0.0001348400000000, 0.0013335900000000 ] - [ 0.0000000000000000, 0.0015403100000000, -0.0003446800000000 ] - [ 0.0000000000000000, 0.0000168200000000, 0.0011761300000000 ] - [ 0.0000000000000000, 0.0201307900000000, -0.0275654300000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0011673500000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0012853600000000 ] - [ 0.0000000000000000, -0.0000005200000000, 0.0005054300000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0011826500000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0001532700000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0011638800000000 ] - [ 0.0000000000000000, 0.0000011200000000, 0.0012845500000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0005061900000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0011899800000000 ] - [ 0.0000000000000000, 0.0000006400000000, 0.0001645000000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0011685200000000 ] - [ -0.0001090000000000, 0.0000623500000000, -0.0002636400000000 ] - [ 0.0000000000000000, 0.0002222100000000, -0.0009270900000000 ] - [ 0.0001090000000000, 0.0000623500000000, -0.0002636400000000 ] - [ 0.0000340800000000, -0.0001058300000000, -0.0003909100000000 ] - [ -0.0000340800000000, -0.0001058300000000, -0.0003909100000000 ] - [ 0.0000000000000000, -0.0001264300000000, -0.0002625100000000 ] - [ 0.0046025500000000, 0.0019251600000000, -0.0028743000000000 ] - [ 0.0000000000000000, -0.0316696500000000, 0.0507307500000000 ] - [ -0.0046025500000000, 0.0019251600000000, -0.0028743000000000 ] - [ 0.0030388000000000, 0.0024522800000000, 0.0089614500000000 ] - [ -0.0030388000000000, 0.0024522800000000, 0.0089614500000000 ] - [ 0.0000000000000000, -0.0001588900000000, 0.0027151400000000 ] - [ 0.0065268800000000, 0.0015147700000000, -0.0048018700000000 ] - [ 0.0000000000000000, 0.0000594300000000, -0.0009513500000000 ] - [ -0.0065268800000000, 0.0015147700000000, -0.0048018700000000 ] - [ 0.0000654500000000, -0.0001385900000000, -0.0004167400000000 ] - [ 0.0000000000000000, -0.0003126200000000, 0.0033272200000000 ] - [ -0.0000654500000000, -0.0001385900000000, -0.0004167400000000 ] - [ 0.0000000000000000, 0.0000015700000000, -0.0003341900000000 ] - [ 0.0000095400000000, 0.0000099900000000, -0.0005150700000000 ] - [ -0.0000095400000000, 0.0000099900000000, -0.0005150700000000 ] - [ -0.0000001500000000, -0.0000015400000000, -0.0003255000000000 ] - [ 0.0000001500000000, -0.0000015400000000, -0.0003255000000000 ] - [ 0.0000000000000000, -0.0000020300000000, -0.0004517000000000 ] - [ 0.0001648200000000, -0.0000953400000000, -0.0002939500000000 ] - [ 0.0000000000000000, -0.0001411400000000, -0.0003532400000000 ] - [ 0.0001226000000000, 0.0000711600000000, -0.0003519300000000 ] - [ -0.0001648200000000, -0.0000953400000000, -0.0002939500000000 ] - [ -0.0001226000000000, 0.0000711600000000, -0.0003519300000000 ] - [ 0.0000000000000000, 0.0001891100000000, -0.0002921400000000 ] - [ -0.0000920400000000, 0.0000717300000000, -0.0002711300000000 ] - [ 0.0000000000000000, 0.0001525200000000, -0.0005410600000000 ] - [ 0.0000920400000000, 0.0000717300000000, -0.0002711300000000 ] - [ -0.0001328500000000, -0.0000762700000000, -0.0005410600000000 ] - [ 0.0001328500000000, -0.0000762700000000, -0.0005410600000000 ] - [ 0.0000000000000000, -0.0001332700000000, -0.0002323000000000 ] - [ -0.0000876300000000, 0.0000507100000000, -0.0004581000000000 ] - [ 0.0000000000000000, 0.0002002000000000, -0.0006286500000000 ] - [ 0.0000876300000000, 0.0000507100000000, -0.0004581000000000 ] - [ -0.0001740500000000, -0.0001008000000000, -0.0006300000000000 ] - [ 0.0001740500000000, -0.0001008000000000, -0.0006300000000000 ] - [ 0.0000000000000000, -0.0000996700000000, -0.0004584300000000 ] - [ -0.0001154600000000, 0.0000670100000000, -0.0006622000000000 ] - [ 0.0000000000000000, 0.0000318000000000, -0.0005347600000000 ] - [ 0.0001154600000000, 0.0000670100000000, -0.0006622000000000 ] - [ -0.0000253800000000, -0.0000146600000000, -0.0005335200000000 ] - [ 0.0000000000000000, -0.0001329100000000, -0.0006627300000000 ] - [ 0.0000253800000000, -0.0000146600000000, -0.0005335200000000 ] - [ 0.0000000000000000, 0.0000029400000000, -0.0003281500000000 ] - [ -0.0000088900000000, 0.0000052400000000, -0.0005008700000000 ] - [ 0.0000088900000000, 0.0000052400000000, -0.0005008700000000 ] - [ -0.0000018900000000, -0.0000005700000000, -0.0003262900000000 ] - [ 0.0000018900000000, -0.0000005700000000, -0.0003262900000000 ] - [ 0.0000000000000000, -0.0000126900000000, -0.0005009000000000 ] - [ 0.0001629500000000, -0.0000942500000000, -0.0002919900000000 ] - [ 0.0000000000000000, -0.0001411800000000, -0.0003600700000000 ] - [ 0.0001226200000000, 0.0000701900000000, -0.0003542000000000 ] - [ -0.0001629500000000, -0.0000942500000000, -0.0002919900000000 ] - [ -0.0001226200000000, 0.0000701900000000, -0.0003542000000000 ] - [ 0.0000000000000000, 0.0001868000000000, -0.0002901500000000 ] - [ -0.0001089500000000, 0.0000622700000000, -0.0002646300000000 ] - [ 0.0000000000000000, 0.0001525000000000, -0.0005403800000000 ] - [ 0.0001089500000000, 0.0000622700000000, -0.0002646300000000 ] - [ -0.0001328800000000, -0.0000762500000000, -0.0005405900000000 ] - [ 0.0001328800000000, -0.0000762500000000, -0.0005405900000000 ] - [ 0.0000000000000000, -0.0001258300000000, -0.0002637200000000 ] - [ -0.0000872400000000, 0.0000504200000000, -0.0004584200000000 ] - [ 0.0000000000000000, 0.0002037500000000, -0.0006346800000000 ] - [ 0.0000872400000000, 0.0000504200000000, -0.0004584200000000 ] - [ -0.0001772800000000, -0.0001026300000000, -0.0006361000000000 ] - [ 0.0001772800000000, -0.0001026300000000, -0.0006361000000000 ] - [ 0.0000000000000000, -0.0000994700000000, -0.0004583600000000 ] - [ -0.0001153700000000, 0.0000669000000000, -0.0006664200000000 ] - [ 0.0000000000000000, 0.0000308200000000, -0.0005341600000000 ] - [ 0.0001153700000000, 0.0000669000000000, -0.0006664200000000 ] - [ -0.0000244300000000, -0.0000141100000000, -0.0005331400000000 ] - [ 0.0000000000000000, -0.0001329800000000, -0.0006672400000000 ] - [ 0.0000244300000000, -0.0000141100000000, -0.0005331400000000 ] - [ 0.0000000000000000, 0.0000025100000000, -0.0003261600000000 ] - [ -0.0000073200000000, 0.0000043200000000, -0.0005056300000000 ] - [ 0.0000073200000000, 0.0000043200000000, -0.0005056300000000 ] - [ -0.0000016500000000, -0.0000004800000000, -0.0003248600000000 ] - [ 0.0000016500000000, -0.0000004800000000, -0.0003248600000000 ] - [ 0.0000000000000000, -0.0000104000000000, -0.0005051400000000 ] - [ 0.0001651200000000, -0.0000956100000000, -0.0002944000000000 ] - [ 0.0000000000000000, -0.0001411400000000, -0.0003545300000000 ] - [ 0.0001226600000000, 0.0000711500000000, -0.0003534500000000 ] - [ -0.0001651200000000, -0.0000956100000000, -0.0002944000000000 ] - [ -0.0001226600000000, 0.0000711500000000, -0.0003534500000000 ] - [ 0.0000000000000000, 0.0001893900000000, -0.0002926800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000089500000000, -0.0000011400000000, 0.0001043300000000 ] - [ -0.0000401000000000, 0.0001851700000000, 0.0003291200000000 ] - [ 0.0017112700000000, 0.0001095000000000, -0.0005064800000000 ] - [ -0.0000070900000000, 0.0000010700000000, 0.0000448500000000 ] - [ -0.0000000100000000, -0.0000001100000000, 0.0001298000000000 ] - [ 0.0000001800000000, 0.0000000500000000, 0.0001137900000000 ] - [ -0.0000000400000000, 0.0000001500000000, -0.0000807800000000 ] - [ -0.0000001600000000, 0.0000001400000000, -0.0001564700000000 ] - [ -0.0000001700000000, 0.0000000900000000, 0.0000601500000000 ] - [ 0.0000001400000000, -0.0000001900000000, 0.0001314200000000 ] - [ 0.0000004400000000, -0.0000001600000000, 0.0001139400000000 ] - [ -0.0000007200000000, 0.0000004300000000, -0.0000799400000000 ] - [ 0.0000000700000000, 0.0000000200000000, -0.0001532200000000 ] - [ -0.0000000500000000, 0.0000000400000000, 0.0000610200000000 ] - [ 0.0000004300000000, -0.0000002500000000, 0.0001329300000000 ] - [ 0.0000000600000000, -0.0000001000000000, 0.0000982600000000 ] - [ 0.0001451100000000, 0.0008926400000000, -0.0015531800000000 ] - [ 0.0036565500000000, -0.0009535500000000, 0.0026913700000000 ] - [ -0.0000689600000000, 0.0003640900000000, 0.0007388100000000 ] - [ 0.0000009800000000, 0.0000015300000000, -0.0002364700000000 ] - [ 0.0000005700000000, 0.0000006700000000, 0.0001006400000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0000751000000000 ] - [ -0.0000000700000000, -0.0000000800000000, -0.0000110200000000 ] - [ 0.0000002700000000, -0.0000001900000000, 0.0000399700000000 ] - [ 0.0000001300000000, -0.0000001000000000, -0.0002381000000000 ] - [ 0.0000001900000000, -0.0000001700000000, 0.0000998400000000 ] - [ 0.0000001100000000, -0.0000000300000000, -0.0000689800000000 ] - [ -0.0000001700000000, -0.0000000300000000, -0.0000062700000000 ] - [ 0.0000001300000000, -0.0000001700000000, 0.0000446100000000 ] - [ -0.0000001000000000, 0.0000000900000000, -0.0002404700000000 ] - [ 0.0001784200000000, -0.0006314000000000, 0.0006714400000000 ] - [ 0.0009591500000000, 0.0011071500000000, -0.0001470600000000 ] - [ 0.0000421900000000, -0.0004544900000000, 0.0004792400000000 ] - [ -0.0000011300000000, -0.0000025600000000, -0.0002119600000000 ] - [ -0.0000005000000000, 0.0000001500000000, -0.0000411500000000 ] - [ 0.0000004800000000, -0.0000002600000000, -0.0000148400000000 ] - [ -0.0000005800000000, 0.0000003000000000, -0.0002232600000000 ] - [ 0.0000026800000000, -0.0000014600000000, 0.0000438900000000 ] - [ 0.0000003000000000, -0.0000000800000000, -0.0002212800000000 ] - [ -0.0000004800000000, 0.0000003500000000, -0.0000398800000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0000132100000000 ] - [ -0.0000006600000000, 0.0000003400000000, -0.0002210500000000 ] - [ 0.0000030500000000, -0.0000016700000000, 0.0000453800000000 ] - [ 0.0000001500000000, 0.0000000300000000, -0.0002235300000000 ] - [ -0.0000007500000000, 0.0000003300000000, -0.0000379300000000 ] - [ -0.0000015000000000, -0.0000034200000000, 0.0004659500000000 ] - [ 0.0000719800000000, 0.0000017600000000, -0.0007112100000000 ] - [ 0.0000525000000000, 0.0000040400000000, 0.0001143000000000 ] - [ 0.0204603800000000, -0.0098985900000000, -0.0170337700000000 ] - [ 0.0000000500000000, 0.0000002900000000, 0.0003375800000000 ] - [ -0.0000004200000000, 0.0000003400000000, 0.0004593600000000 ] - [ 0.0000009600000000, -0.0000006400000000, -0.0004710500000000 ] - [ 0.0000002200000000, -0.0000002300000000, 0.0003231600000000 ] - [ -0.0000003500000000, 0.0000003400000000, -0.0006797900000000 ] - [ -0.0000008000000000, 0.0000004400000000, 0.0003355000000000 ] - [ -0.0000011300000000, 0.0000006600000000, 0.0004601600000000 ] - [ 0.0000004700000000, -0.0000004300000000, -0.0004704100000000 ] - [ -0.0000001400000000, 0.0000000700000000, 0.0003299200000000 ] - [ -0.0000009900000000, 0.0000006600000000, -0.0006680200000000 ] - [ -0.0000000200000000, -0.0000000200000000, 0.0003401500000000 ] - [ -0.0001852100000000, 0.0001069400000000, 0.0001541900000000 ] - [ -0.0000073500000000, 0.0000361300000000, -0.0000508200000000 ] - [ 0.0001874800000000, 0.0001071400000000, 0.0001561100000000 ] - [ -0.0000275300000000, -0.0000110200000000, -0.0000340600000000 ] - [ 0.0000302000000000, -0.0000214100000000, -0.0000427900000000 ] - [ 0.0000009600000000, -0.0002157800000000, 0.0001563300000000 ] - [ 0.0005804800000000, -0.0001647100000000, 0.0005117000000000 ] - [ 0.0017308400000000, 0.0045788600000000, -0.0067876800000000 ] - [ -0.0003439900000000, 0.0000108500000000, 0.0001135600000000 ] - [ -0.0035856200000000, -0.0016231500000000, -0.0022963200000000 ] - [ 0.0003359400000000, -0.0000577500000000, -0.0000760000000000 ] - [ -0.0000656100000000, 0.0001711700000000, 0.0002248300000000 ] - [ -0.0543683800000000, 0.0172622700000000, 0.0215723300000000 ] - [ 0.0018338800000000, 0.0013628300000000, -0.0045643700000000 ] - [ 0.0233344500000000, 0.0021004800000000, 0.0025511400000000 ] - [ -0.0009610900000000, -0.0006924000000000, -0.0009403500000000 ] - [ 0.0036124200000000, -0.0134920100000000, 0.0020416600000000 ] - [ 0.0006131500000000, -0.0001994300000000, -0.0003817300000000 ] - [ -0.0000070300000000, -0.0000558900000000, 0.0001652700000000 ] - [ 0.0004983600000000, -0.0001383100000000, 0.0003266500000000 ] - [ -0.0003157400000000, -0.0000250000000000, 0.0000383300000000 ] - [ 0.0000382200000000, 0.0000291700000000, 0.0001953900000000 ] - [ -0.0000387400000000, 0.0000202300000000, 0.0001907600000000 ] - [ -0.0000415900000000, 0.0001877800000000, 0.0001029600000000 ] - [ 0.0001011200000000, -0.0000577200000000, 0.0001196800000000 ] - [ -0.0000005000000000, -0.0001424100000000, 0.0001826100000000 ] - [ 0.0001228300000000, 0.0000715500000000, 0.0001833400000000 ] - [ -0.0000985400000000, -0.0000570500000000, 0.0001207600000000 ] - [ -0.0001245700000000, 0.0000719700000000, 0.0001845000000000 ] - [ 0.0000006600000000, 0.0001135200000000, 0.0001223400000000 ] - [ -0.0001855400000000, 0.0001077000000000, 0.0001581400000000 ] - [ -0.0000008500000000, 0.0000520200000000, -0.0000395600000000 ] - [ 0.0001871700000000, 0.0001072700000000, 0.0001584300000000 ] - [ -0.0000454700000000, -0.0000254700000000, -0.0000405100000000 ] - [ 0.0000462100000000, -0.0000266500000000, -0.0000393200000000 ] - [ 0.0000012200000000, -0.0002161200000000, 0.0001598200000000 ] - [ -0.0001305800000000, 0.0000754500000000, 0.0000567700000000 ] - [ 0.0000004200000000, 0.0001229900000000, -0.0002146700000000 ] - [ 0.0001277500000000, 0.0000739400000000, 0.0000544200000000 ] - [ -0.0001060800000000, -0.0000617500000000, -0.0002151900000000 ] - [ 0.0001082900000000, -0.0000625700000000, -0.0002167100000000 ] - [ -0.0000001200000000, -0.0001476500000000, 0.0000552400000000 ] - [ -0.0001123000000000, 0.0000647700000000, -0.0001202100000000 ] - [ 0.0000000100000000, 0.0000585800000000, -0.0000795500000000 ] - [ 0.0001110400000000, 0.0000647700000000, -0.0001215000000000 ] - [ -0.0000507200000000, -0.0000293700000000, -0.0000793400000000 ] - [ -0.0000006600000000, -0.0001285500000000, -0.0001218200000000 ] - [ 0.0000465000000000, -0.0000268100000000, -0.0000772500000000 ] - [ -0.0000008000000000, -0.0000102800000000, 0.0001984300000000 ] - [ -0.0000401800000000, 0.0000232100000000, -0.0000602100000000 ] - [ 0.0000435900000000, 0.0000253800000000, -0.0000580700000000 ] - [ 0.0000081800000000, 0.0000057300000000, 0.0001986200000000 ] - [ -0.0000106700000000, 0.0000062400000000, 0.0002008700000000 ] - [ -0.0000001500000000, -0.0000504000000000, -0.0000586900000000 ] - [ 0.0000974000000000, -0.0000563300000000, 0.0001207700000000 ] - [ -0.0000003400000000, -0.0001416600000000, 0.0001796900000000 ] - [ 0.0001222800000000, 0.0000710600000000, 0.0001802400000000 ] - [ -0.0000947100000000, -0.0000552900000000, 0.0001228600000000 ] - [ -0.0001235700000000, 0.0000714100000000, 0.0001811300000000 ] - [ 0.0000004600000000, 0.0001098400000000, 0.0001233800000000 ] - [ -0.0001850300000000, 0.0001067600000000, 0.0001528200000000 ] - [ -0.0000009200000000, 0.0000525000000000, -0.0000392900000000 ] - [ 0.0001867800000000, 0.0001068300000000, 0.0001543600000000 ] - [ -0.0000459500000000, -0.0000256800000000, -0.0000402200000000 ] - [ 0.0000466700000000, -0.0000269400000000, -0.0000389800000000 ] - [ 0.0000008700000000, -0.0002150200000000, 0.0001545600000000 ] - [ -0.0001301600000000, 0.0000751900000000, 0.0000561700000000 ] - [ 0.0000003600000000, 0.0001251400000000, -0.0002194400000000 ] - [ 0.0001276500000000, 0.0000738200000000, 0.0000541000000000 ] - [ -0.0001079500000000, -0.0000627900000000, -0.0002199300000000 ] - [ 0.0001104200000000, -0.0000637900000000, -0.0002215000000000 ] - [ -0.0000001000000000, -0.0001474900000000, 0.0000549000000000 ] - [ -0.0001108400000000, 0.0000639500000000, -0.0001256300000000 ] - [ -0.0000000600000000, 0.0000577100000000, -0.0000794000000000 ] - [ 0.0001098300000000, 0.0000639800000000, -0.0001268000000000 ] - [ -0.0000500100000000, -0.0000288600000000, -0.0000791800000000 ] - [ -0.0000005600000000, -0.0001270800000000, -0.0001271400000000 ] - [ 0.0000456500000000, -0.0000263400000000, -0.0000770600000000 ] - [ -0.0000007200000000, -0.0000115700000000, 0.0002005200000000 ] - [ -0.0000378700000000, 0.0000218500000000, -0.0000653200000000 ] - [ 0.0000412900000000, 0.0000241000000000, -0.0000632000000000 ] - [ 0.0000093800000000, 0.0000063300000000, 0.0002007600000000 ] - [ -0.0000115000000000, 0.0000067100000000, 0.0002027800000000 ] - [ -0.0000002200000000, -0.0000477800000000, -0.0000637700000000 ] - [ 0.0000990800000000, -0.0000573000000000, 0.0001182800000000 ] - [ -0.0000004000000000, -0.0001412300000000, 0.0001809500000000 ] - [ 0.0001219400000000, 0.0000709500000000, 0.0001814100000000 ] - [ -0.0000964200000000, -0.0000563200000000, 0.0001202700000000 ] - [ -0.0001236200000000, 0.0000714600000000, 0.0001826600000000 ] - [ 0.0000004900000000, 0.0001118200000000, 0.0001207700000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000101100000000, 0.0000010700000000, 0.0001304600000000 ] - [ 0.0000384100000000, -0.0001854800000000, -0.0004766700000000 ] - [ -0.0017140900000000, -0.0001229700000000, 0.0002110900000000 ] - [ 0.0000069400000000, -0.0000010600000000, 0.0000958200000000 ] - [ -0.0000000400000000, 0.0000002500000000, 0.0001452500000000 ] - [ 0.0000004900000000, -0.0000000800000000, 0.0001284300000000 ] - [ -0.0000004400000000, 0.0000002100000000, -0.0000638900000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0001415600000000 ] - [ 0.0000000300000000, 0.0000001000000000, 0.0000769600000000 ] - [ 0.0000001700000000, 0.0000000600000000, 0.0001467700000000 ] - [ 0.0000007200000000, -0.0000001300000000, 0.0001287000000000 ] - [ 0.0000000500000000, 0.0000000500000000, -0.0000627400000000 ] - [ 0.0000001900000000, -0.0000001300000000, -0.0001386300000000 ] - [ 0.0000002800000000, -0.0000000700000000, 0.0000777100000000 ] - [ -0.0000002900000000, 0.0000002300000000, 0.0001479100000000 ] - [ 0.0000002200000000, -0.0000001100000000, 0.0001330800000000 ] - [ -0.0000768300000000, -0.0009156300000000, 0.0015083300000000 ] - [ -0.0037569100000000, 0.0010088200000000, -0.0028110700000000 ] - [ 0.0000729900000000, -0.0003629400000000, -0.0006227800000000 ] - [ -0.0000002800000000, -0.0000018300000000, -0.0002048600000000 ] - [ -0.0000008000000000, -0.0000006100000000, 0.0001333700000000 ] - [ 0.0000004100000000, -0.0000001300000000, -0.0000409500000000 ] - [ 0.0000000700000000, -0.0000000900000000, 0.0000236900000000 ] - [ 0.0000004700000000, -0.0000002200000000, 0.0000730400000000 ] - [ 0.0000002800000000, -0.0000000700000000, -0.0002037200000000 ] - [ 0.0000003300000000, -0.0000002300000000, 0.0001347200000000 ] - [ 0.0000002200000000, -0.0000000300000000, -0.0000345000000000 ] - [ -0.0000001000000000, 0.0000000500000000, 0.0000282800000000 ] - [ 0.0000003800000000, -0.0000001300000000, 0.0000778800000000 ] - [ 0.0000000200000000, 0.0000000300000000, -0.0002063200000000 ] - [ -0.0001711000000000, 0.0006329900000000, -0.0006832400000000 ] - [ -0.0006811400000000, -0.0012557700000000, -0.0004976500000000 ] - [ -0.0000419200000000, 0.0004496800000000, -0.0003759100000000 ] - [ 0.0000012300000000, 0.0000027400000000, -0.0002151900000000 ] - [ -0.0000003300000000, 0.0000002000000000, -0.0000264800000000 ] - [ 0.0000006500000000, -0.0000002800000000, 0.0000001700000000 ] - [ -0.0000004500000000, 0.0000002500000000, -0.0002090700000000 ] - [ 0.0000028400000000, -0.0000014400000000, 0.0000555900000000 ] - [ 0.0000004600000000, -0.0000000800000000, -0.0002067000000000 ] - [ -0.0000006400000000, 0.0000001500000000, -0.0000235000000000 ] - [ 0.0000009100000000, -0.0000004400000000, 0.0000020100000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0002073200000000 ] - [ 0.0000031800000000, -0.0000016500000000, 0.0000572100000000 ] - [ 0.0000003000000000, 0.0000000200000000, -0.0002089100000000 ] - [ -0.0000006000000000, 0.0000003100000000, -0.0000233700000000 ] - [ 0.0000030700000000, 0.0000027500000000, 0.0004623200000000 ] - [ -0.0000722500000000, -0.0000029400000000, -0.0002274100000000 ] - [ -0.0000503200000000, -0.0000039300000000, 0.0005635000000000 ] - [ -0.0214123800000000, 0.0106043800000000, 0.0167357800000000 ] - [ -0.0000003700000000, -0.0000001400000000, 0.0003676500000000 ] - [ -0.0000002300000000, 0.0000002200000000, 0.0004863300000000 ] - [ 0.0000010300000000, -0.0000005200000000, -0.0004398600000000 ] - [ 0.0000003400000000, 0.0000000300000000, 0.0003525400000000 ] - [ -0.0000005000000000, 0.0000002800000000, -0.0006532900000000 ] - [ -0.0000008500000000, 0.0000004500000000, 0.0003617000000000 ] - [ -0.0000006000000000, 0.0000005000000000, 0.0004869000000000 ] - [ 0.0000006000000000, -0.0000002100000000, -0.0004394600000000 ] - [ -0.0000000900000000, 0.0000002300000000, 0.0003591900000000 ] - [ -0.0000008200000000, 0.0000005500000000, -0.0006412500000000 ] - [ 0.0000000100000000, -0.0000000300000000, 0.0003666000000000 ] - [ -0.0001828300000000, 0.0001055100000000, 0.0001418100000000 ] - [ 0.0000057200000000, 0.0000669000000000, -0.0000338500000000 ] - [ 0.0001852700000000, 0.0001057800000000, 0.0001439000000000 ] - [ -0.0000626300000000, -0.0000393800000000, -0.0000527000000000 ] - [ 0.0000609900000000, -0.0000310400000000, -0.0000406500000000 ] - [ 0.0000010900000000, -0.0002130600000000, 0.0001440500000000 ] - [ -0.0008402200000000, 0.0003143000000000, -0.0004076400000000 ] - [ -0.0017106800000000, -0.0043608100000000, 0.0063843000000000 ] - [ 0.0006001700000000, 0.0001377200000000, -0.0000104300000000 ] - [ 0.0033652800000000, 0.0014693700000000, 0.0018074700000000 ] - [ -0.0000865900000000, -0.0000754200000000, -0.0003890200000000 ] - [ 0.0000646600000000, -0.0004673100000000, -0.0001243300000000 ] - [ 0.0548216700000000, -0.0176789900000000, -0.0224986000000000 ] - [ -0.0018436300000000, -0.0012363000000000, 0.0043574100000000 ] - [ -0.0231485500000000, -0.0019813000000000, -0.0028382700000000 ] - [ 0.0008545300000000, 0.0006589100000000, 0.0008029800000000 ] - [ -0.0036053200000000, 0.0132570300000000, -0.0023244800000000 ] - [ -0.0005152700000000, 0.0001375800000000, 0.0001990800000000 ] - [ 0.0000055600000000, 0.0000360600000000, 0.0002119600000000 ] - [ -0.0005807700000000, 0.0001868000000000, -0.0004623800000000 ] - [ 0.0004047400000000, 0.0000761400000000, -0.0001737200000000 ] - [ -0.0000222100000000, -0.0000181400000000, 0.0001828000000000 ] - [ 0.0000180800000000, -0.0000082700000000, 0.0001912900000000 ] - [ 0.0000423400000000, -0.0002900700000000, -0.0002357000000000 ] - [ 0.0000985400000000, -0.0000576800000000, 0.0001042300000000 ] - [ -0.0000002700000000, -0.0001398000000000, 0.0001650700000000 ] - [ 0.0001208100000000, 0.0000703000000000, 0.0001651900000000 ] - [ -0.0000955500000000, -0.0000564400000000, 0.0001071000000000 ] - [ -0.0001222400000000, 0.0000708200000000, 0.0001666000000000 ] - [ 0.0000004400000000, 0.0001118800000000, 0.0001064500000000 ] - [ -0.0001865500000000, 0.0001070800000000, 0.0001431100000000 ] - [ -0.0000007200000000, 0.0000560100000000, -0.0000547900000000 ] - [ 0.0001886700000000, 0.0001075800000000, 0.0001460500000000 ] - [ -0.0000487700000000, -0.0000274800000000, -0.0000556600000000 ] - [ 0.0000498200000000, -0.0000286900000000, -0.0000544900000000 ] - [ 0.0000007000000000, -0.0002163800000000, 0.0001450000000000 ] - [ -0.0001297700000000, 0.0000750800000000, 0.0000390300000000 ] - [ 0.0000005500000000, 0.0001253600000000, -0.0002292400000000 ] - [ 0.0001272300000000, 0.0000735600000000, 0.0000367600000000 ] - [ -0.0001081100000000, -0.0000629800000000, -0.0002296900000000 ] - [ 0.0001105900000000, -0.0000637800000000, -0.0002313200000000 ] - [ 0.0000000400000000, -0.0001469400000000, 0.0000376000000000 ] - [ -0.0001121600000000, 0.0000647800000000, -0.0001378200000000 ] - [ 0.0000001700000000, 0.0000577500000000, -0.0000929800000000 ] - [ 0.0001111400000000, 0.0000647800000000, -0.0001391900000000 ] - [ -0.0000498600000000, -0.0000289600000000, -0.0000928400000000 ] - [ -0.0000005500000000, -0.0001285200000000, -0.0001394200000000 ] - [ 0.0000459300000000, -0.0000264100000000, -0.0000908000000000 ] - [ -0.0000006600000000, -0.0000086600000000, 0.0001804900000000 ] - [ -0.0000412000000000, 0.0000238700000000, -0.0000723800000000 ] - [ 0.0000449500000000, 0.0000260700000000, -0.0000702400000000 ] - [ 0.0000069600000000, 0.0000049000000000, 0.0001806800000000 ] - [ -0.0000091300000000, 0.0000053900000000, 0.0001829500000000 ] - [ -0.0000000100000000, -0.0000518100000000, -0.0000708000000000 ] - [ 0.0000977500000000, -0.0000564500000000, 0.0001086500000000 ] - [ -0.0000001100000000, -0.0001384700000000, 0.0001610500000000 ] - [ 0.0001197200000000, 0.0000694700000000, 0.0001613200000000 ] - [ -0.0000946700000000, -0.0000553600000000, 0.0001107100000000 ] - [ -0.0001207000000000, 0.0000699200000000, 0.0001624600000000 ] - [ 0.0000006100000000, 0.0001099800000000, 0.0001111900000000 ] - [ -0.0001828100000000, 0.0001055500000000, 0.0001410900000000 ] - [ -0.0000007700000000, 0.0000560400000000, -0.0000545800000000 ] - [ 0.0001848600000000, 0.0001056600000000, 0.0001426800000000 ] - [ -0.0000488300000000, -0.0000274400000000, -0.0000554300000000 ] - [ 0.0000498700000000, -0.0000287100000000, -0.0000541800000000 ] - [ 0.0000009900000000, -0.0002126500000000, 0.0001428300000000 ] - [ -0.0001293100000000, 0.0000748100000000, 0.0000384700000000 ] - [ 0.0000005300000000, 0.0001275300000000, -0.0002340400000000 ] - [ 0.0001271600000000, 0.0000734600000000, 0.0000364500000000 ] - [ -0.0001099600000000, -0.0000640500000000, -0.0002345300000000 ] - [ 0.0001126200000000, -0.0000649800000000, -0.0002362300000000 ] - [ 0.0000000800000000, -0.0001467400000000, 0.0000372400000000 ] - [ -0.0001106200000000, 0.0000639100000000, -0.0001431900000000 ] - [ 0.0000000900000000, 0.0000569700000000, -0.0000928600000000 ] - [ 0.0001099100000000, 0.0000639600000000, -0.0001443400000000 ] - [ -0.0000492100000000, -0.0000285000000000, -0.0000927400000000 ] - [ -0.0000004300000000, -0.0001270300000000, -0.0001446000000000 ] - [ 0.0000451700000000, -0.0000259900000000, -0.0000906700000000 ] - [ -0.0000005800000000, -0.0000101800000000, 0.0001825000000000 ] - [ -0.0000384300000000, 0.0000222600000000, -0.0000782100000000 ] - [ 0.0000422200000000, 0.0000245400000000, -0.0000759800000000 ] - [ 0.0000083600000000, 0.0000056300000000, 0.0001827800000000 ] - [ -0.0000102100000000, 0.0000060100000000, 0.0001848200000000 ] - [ -0.0000000900000000, -0.0000486700000000, -0.0000765700000000 ] - [ 0.0001010000000000, -0.0000583500000000, 0.0001046900000000 ] - [ -0.0000002500000000, -0.0001405000000000, 0.0001635200000000 ] - [ 0.0001214200000000, 0.0000705600000000, 0.0001639800000000 ] - [ -0.0000980400000000, -0.0000573300000000, 0.0001066800000000 ] - [ -0.0001228400000000, 0.0000710900000000, 0.0001652400000000 ] - [ 0.0000006000000000, 0.0001139000000000, 0.0001071600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000397500000000, 0.0000229500000000, -0.0004902300000000 ] - [ 0.0002197000000000, -0.0001268400000000, -0.0005833900000000 ] - [ -0.0002010500000000, 0.0001160800000000, 0.0095899100000000 ] - [ -0.0000320700000000, 0.0000185100000000, -0.0005508800000000 ] - [ -0.0000004600000000, 0.0000002600000000, -0.0004677100000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0004814600000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0006950800000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0007540100000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0005403500000000 ] - [ -0.0000003400000000, 0.0000002000000000, -0.0004661100000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0004809000000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0006939700000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0007508000000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005395500000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0004647100000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0012504000000000 ] - [ 0.0006520900000000, -0.0003764800000000, 0.0102498800000000 ] - [ 0.0000473100000000, -0.0000273200000000, 0.0124917200000000 ] - [ 0.0004172300000000, -0.0002408900000000, -0.0009493800000000 ] - [ 0.0000062400000000, -0.0000036000000000, -0.0015782100000000 ] - [ 0.0000040400000000, -0.0000023300000000, -0.0012489300000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0014300000000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0013529900000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0012468000000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0015792500000000 ] - [ 0.0000001300000000, -0.0000000700000000, -0.0012483600000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0014240500000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0013478800000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0012423000000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0015818800000000 ] - [ -0.0010294200000000, 0.0005943300000000, -0.0001538400000000 ] - [ 0.0017450500000000, -0.0010075000000000, 0.0089132300000000 ] - [ -0.0007008300000000, 0.0004046200000000, 0.0002680400000000 ] - [ -0.0000099900000000, 0.0000057700000000, -0.0007858100000000 ] - [ -0.0000006600000000, 0.0000003800000000, -0.0006082000000000 ] - [ 0.0000003700000000, -0.0000002200000000, -0.0005803400000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0007927100000000 ] - [ 0.0000025400000000, -0.0000014600000000, -0.0004274200000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0007924200000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0006064800000000 ] - [ 0.0000006500000000, -0.0000003800000000, -0.0005785400000000 ] - [ -0.0000007600000000, 0.0000004400000000, -0.0007906400000000 ] - [ 0.0000029000000000, -0.0000016700000000, -0.0004256900000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0007946400000000 ] - [ -0.0000008000000000, 0.0000004600000000, -0.0006053100000000 ] - [ -0.0000159700000000, 0.0000092200000000, -0.0005691400000000 ] - [ 0.0002911700000000, -0.0001681000000000, -0.0017657400000000 ] - [ 0.0002572800000000, -0.0001485400000000, -0.0008683500000000 ] - [ -0.0149430500000000, 0.0086273800000000, 0.0277479300000000 ] - [ 0.0000011900000000, -0.0000006800000000, -0.0006966600000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0005662500000000 ] - [ 0.0000007900000000, -0.0000004500000000, -0.0016910600000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0007398900000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0017255000000000 ] - [ -0.0000011200000000, 0.0000006500000000, -0.0006990400000000 ] - [ -0.0000010700000000, 0.0000006200000000, -0.0005654000000000 ] - [ 0.0000003700000000, -0.0000002200000000, -0.0016908900000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0007332800000000 ] - [ -0.0000012100000000, 0.0000007000000000, -0.0017139300000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0006944900000000 ] - [ -0.0002860900000000, 0.0001651700000000, 0.0006837100000000 ] - [ -0.0000295700000000, -0.0000985200000000, 0.0006154800000000 ] - [ 0.0002880400000000, 0.0001653100000000, 0.0006855800000000 ] - [ 0.0000705300000000, 0.0000748700000000, 0.0006154800000000 ] - [ -0.0000505700000000, 0.0000291900000000, 0.0005432300000000 ] - [ 0.0000008600000000, -0.0003321000000000, 0.0006855800000000 ] - [ -0.0000597000000000, 0.0000344700000000, 0.0016235700000000 ] - [ -0.0045578900000000, -0.0042665800000000, 0.0044276600000000 ] - [ 0.0001778800000000, -0.0000315900000000, 0.0003550300000000 ] - [ 0.0014160200000000, 0.0060805400000000, 0.0044276600000000 ] - [ 0.0009307300000000, -0.0005373600000000, -0.0037001900000000 ] - [ 0.0001163000000000, -0.0001382500000000, 0.0003550300000000 ] - [ 0.0222636900000000, -0.0128539400000000, -0.0555714400000000 ] - [ -0.0035607300000000, -0.0016913400000000, 0.0026230800000000 ] - [ -0.0025845100000000, -0.0009021800000000, -0.0125993600000000 ] - [ -0.0003156200000000, 0.0039293500000000, 0.0026230800000000 ] - [ -0.0005109500000000, 0.0026893400000000, -0.0125993600000000 ] - [ -0.0001851800000000, 0.0001069100000000, -0.0026504400000000 ] - [ -0.0000344300000000, -0.0000477800000000, 0.0008616800000000 ] - [ 0.0001836500000000, -0.0001060300000000, 0.0014796100000000 ] - [ 0.0000157900000000, -0.0000591800000000, 0.0002321400000000 ] - [ 0.0000241600000000, 0.0000537000000000, 0.0008616800000000 ] - [ -0.0000298300000000, 0.0000172200000000, 0.0007767400000000 ] - [ 0.0000591500000000, 0.0000159200000000, 0.0002321400000000 ] - [ 0.0000070500000000, -0.0000040700000000, 0.0006430800000000 ] - [ -0.0000008100000000, -0.0001346900000000, 0.0008474900000000 ] - [ 0.0001162400000000, 0.0000680500000000, 0.0008474900000000 ] - [ -0.0000053100000000, -0.0000057800000000, 0.0006396900000000 ] - [ -0.0001182800000000, 0.0000682900000000, 0.0008480600000000 ] - [ 0.0000023500000000, 0.0000074800000000, 0.0006396900000000 ] - [ -0.0002879800000000, 0.0001662600000000, 0.0006896900000000 ] - [ -0.0000008700000000, -0.0000754700000000, 0.0005901100000000 ] - [ 0.0002884400000000, 0.0001629700000000, 0.0006846400000000 ] - [ 0.0000649300000000, 0.0000384900000000, 0.0005901100000000 ] - [ -0.0000643700000000, 0.0000371700000000, 0.0005908200000000 ] - [ 0.0000030800000000, -0.0003312900000000, 0.0006846400000000 ] - [ -0.0001716200000000, 0.0000990900000000, 0.0006832100000000 ] - [ 0.0000003200000000, 0.0000146000000000, 0.0003024700000000 ] - [ 0.0001685200000000, 0.0000975700000000, 0.0006810900000000 ] - [ -0.0000124800000000, -0.0000075700000000, 0.0003024700000000 ] - [ 0.0000145600000000, -0.0000084000000000, 0.0003004800000000 ] - [ -0.0000002400000000, -0.0001947300000000, 0.0006810900000000 ] - [ -0.0000986800000000, 0.0000569800000000, 0.0005535100000000 ] - [ -0.0000000800000000, 0.0000918600000000, 0.0004964800000000 ] - [ 0.0000970100000000, 0.0000569000000000, 0.0005519700000000 ] - [ -0.0000796000000000, -0.0000458600000000, 0.0004964800000000 ] - [ -0.0000007700000000, -0.0001124700000000, 0.0005519700000000 ] - [ 0.0000750500000000, -0.0000433300000000, 0.0004988800000000 ] - [ -0.0000009700000000, -0.0000154600000000, 0.0008432100000000 ] - [ -0.0000877900000000, 0.0000506800000000, 0.0004976400000000 ] - [ 0.0000909800000000, 0.0000528700000000, 0.0004995400000000 ] - [ 0.0000129000000000, 0.0000085700000000, 0.0008432100000000 ] - [ -0.0000154900000000, 0.0000089400000000, 0.0008455300000000 ] - [ -0.0000003000000000, -0.0001052200000000, 0.0004995400000000 ] - [ 0.0000054600000000, -0.0000031500000000, 0.0006412700000000 ] - [ -0.0000006000000000, -0.0001339400000000, 0.0008441500000000 ] - [ 0.0001156900000000, 0.0000674900000000, 0.0008441500000000 ] - [ -0.0000030800000000, -0.0000022400000000, 0.0006433000000000 ] - [ -0.0001172200000000, 0.0000676800000000, 0.0008446200000000 ] - [ 0.0000004000000000, 0.0000037900000000, 0.0006433000000000 ] - [ -0.0002860500000000, 0.0001651500000000, 0.0006830200000000 ] - [ -0.0000009300000000, -0.0000739800000000, 0.0005886800000000 ] - [ 0.0002876100000000, 0.0001651600000000, 0.0006847200000000 ] - [ 0.0000636100000000, 0.0000378000000000, 0.0005886800000000 ] - [ -0.0000630800000000, 0.0000364200000000, 0.0005895100000000 ] - [ 0.0000007700000000, -0.0003316500000000, 0.0006847200000000 ] - [ -0.0001732000000000, 0.0000999900000000, 0.0006844900000000 ] - [ 0.0000002600000000, 0.0000175200000000, 0.0002971900000000 ] - [ 0.0001705300000000, 0.0000986800000000, 0.0006828700000000 ] - [ -0.0000150400000000, -0.0000089900000000, 0.0002971900000000 ] - [ 0.0000171500000000, -0.0000099000000000, 0.0002947600000000 ] - [ -0.0000001900000000, -0.0001970200000000, 0.0006828700000000 ] - [ -0.0000977800000000, 0.0000564500000000, 0.0005489500000000 ] - [ -0.0000001200000000, 0.0000910000000000, 0.0004976000000000 ] - [ 0.0000965700000000, 0.0000565500000000, 0.0005476900000000 ] - [ -0.0000788700000000, -0.0000453900000000, 0.0004976000000000 ] - [ -0.0000006900000000, -0.0001119000000000, 0.0005476900000000 ] - [ 0.0000742700000000, -0.0000428800000000, 0.0004997600000000 ] - [ -0.0000009100000000, -0.0000155900000000, 0.0008436300000000 ] - [ -0.0000855900000000, 0.0000494200000000, 0.0004926100000000 ] - [ 0.0000888000000000, 0.0000516700000000, 0.0004944100000000 ] - [ 0.0000130500000000, 0.0000085800000000, 0.0008436300000000 ] - [ -0.0000153300000000, 0.0000088500000000, 0.0008458200000000 ] - [ -0.0000003500000000, -0.0001027400000000, 0.0004944100000000 ] - [ 0.0000073900000000, -0.0000042700000000, 0.0006376800000000 ] - [ -0.0000005500000000, -0.0001342300000000, 0.0008455700000000 ] - [ 0.0001159700000000, 0.0000675900000000, 0.0008455700000000 ] - [ -0.0000050100000000, -0.0000033800000000, 0.0006398900000000 ] - [ -0.0001178600000000, 0.0000680500000000, 0.0008469900000000 ] - [ 0.0000004200000000, 0.0000060300000000, 0.0006398900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000399600000000, -0.0000230700000000, 0.0007256800000000 ] - [ -0.0002185700000000, 0.0001261900000000, 0.0004350300000000 ] - [ 0.0002007500000000, -0.0001159000000000, -0.0098953700000000 ] - [ 0.0000322100000000, -0.0000185900000000, 0.0006917700000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0007460300000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0007245600000000 ] - [ -0.0000003200000000, 0.0000001900000000, 0.0005486400000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0004572200000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0006780100000000 ] - [ 0.0000003900000000, -0.0000002300000000, 0.0007473100000000 ] - [ 0.0000004600000000, -0.0000002700000000, 0.0007243400000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0005496300000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0004601700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0006788800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007484200000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0014885300000000 ] - [ -0.0004756900000000, 0.0002746400000000, -0.0100251100000000 ] - [ -0.0002735400000000, 0.0001579300000000, -0.0128800400000000 ] - [ -0.0004208200000000, 0.0002429600000000, 0.0010670400000000 ] - [ -0.0000059100000000, 0.0000034100000000, 0.0011408500000000 ] - [ -0.0000043700000000, 0.0000025200000000, 0.0014892300000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0013083600000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0013693300000000 ] - [ 0.0000003300000000, -0.0000001900000000, 0.0013655400000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0011414700000000 ] - [ 0.0000002300000000, -0.0000001400000000, 0.0014901300000000 ] - [ 0.0000001100000000, -0.0000000700000000, 0.0013151900000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0013736800000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0013699000000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0011387500000000 ] - [ 0.0010212800000000, -0.0005896300000000, 0.0001424300000000 ] - [ -0.0015491200000000, 0.0008943800000000, -0.0095468300000000 ] - [ 0.0007136100000000, -0.0004120100000000, -0.0001698600000000 ] - [ 0.0000099300000000, -0.0000057300000000, 0.0003610400000000 ] - [ -0.0000003400000000, 0.0000001900000000, 0.0005439400000000 ] - [ 0.0000004800000000, -0.0000002800000000, 0.0005647000000000 ] - [ -0.0000005200000000, 0.0000003000000000, 0.0003617500000000 ] - [ 0.0000026400000000, -0.0000015200000000, 0.0005289400000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0003670200000000 ] - [ -0.0000013900000000, 0.0000008000000000, 0.0005465000000000 ] - [ 0.0000007400000000, -0.0000004300000000, 0.0005664200000000 ] - [ -0.0000006200000000, 0.0000003600000000, 0.0003640700000000 ] - [ 0.0000030000000000, -0.0000017300000000, 0.0005304800000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0003649500000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0005470800000000 ] - [ 0.0000170000000000, -0.0000098100000000, 0.0015026000000000 ] - [ -0.0002872400000000, 0.0001658400000000, 0.0008239100000000 ] - [ -0.0002596600000000, 0.0001499100000000, 0.0015597200000000 ] - [ 0.0141101100000000, -0.0081464800000000, -0.0285993600000000 ] - [ -0.0000017000000000, 0.0000009800000000, 0.0014025600000000 ] - [ -0.0000004600000000, 0.0000002700000000, 0.0015176200000000 ] - [ 0.0000010600000000, -0.0000006100000000, 0.0007788100000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0014261100000000 ] - [ -0.0000004600000000, 0.0000002700000000, 0.0003883100000000 ] - [ -0.0000007100000000, 0.0000004100000000, 0.0013971400000000 ] - [ -0.0000009800000000, 0.0000005700000000, 0.0015181700000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0007786400000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0014334400000000 ] - [ -0.0000009000000000, 0.0000005200000000, 0.0004003600000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0014025400000000 ] - [ -0.0000800300000000, 0.0000462100000000, -0.0003900700000000 ] - [ 0.0000274400000000, 0.0001997700000000, -0.0007056900000000 ] - [ 0.0000822700000000, 0.0000464000000000, -0.0003876800000000 ] - [ -0.0001592900000000, -0.0001236500000000, -0.0007056900000000 ] - [ 0.0001401200000000, -0.0000809000000000, -0.0006321600000000 ] - [ 0.0000009500000000, -0.0000944500000000, -0.0003876800000000 ] - [ -0.0001975100000000, 0.0001140300000000, -0.0015070300000000 ] - [ 0.0044837400000000, 0.0044615100000000, -0.0048065100000000 ] - [ 0.0000770000000000, 0.0001781000000000, -0.0002583000000000 ] - [ -0.0016219100000000, -0.0061137900000000, -0.0048065100000000 ] - [ -0.0006890700000000, 0.0003978300000000, 0.0032005700000000 ] - [ -0.0001157400000000, -0.0001557300000000, -0.0002583000000000 ] - [ -0.0218140000000000, 0.0125943200000000, 0.0550930900000000 ] - [ 0.0036223300000000, 0.0018393200000000, -0.0028438400000000 ] - [ 0.0028085200000000, 0.0010306100000000, 0.0123469800000000 ] - [ 0.0002182700000000, -0.0040566900000000, -0.0028438400000000 ] - [ 0.0005117300000000, -0.0029475500000000, 0.0123469800000000 ] - [ 0.0002802600000000, -0.0001618100000000, 0.0025162100000000 ] - [ 0.0000331700000000, 0.0000328000000000, -0.0004912200000000 ] - [ -0.0002704500000000, 0.0001561500000000, -0.0016322000000000 ] - [ 0.0000742200000000, 0.0001121500000000, -0.0003644500000000 ] - [ -0.0000118200000000, -0.0000451200000000, -0.0004912200000000 ] - [ 0.0000125300000000, -0.0000072400000000, -0.0004004200000000 ] - [ -0.0000600200000000, -0.0001203500000000, -0.0003644500000000 ] - [ 0.0001931300000000, -0.0001115000000000, -0.0004206600000000 ] - [ -0.0000003200000000, -0.0001494200000000, -0.0004981700000000 ] - [ 0.0001292400000000, 0.0000749900000000, -0.0004981700000000 ] - [ -0.0001899200000000, -0.0001080800000000, -0.0004128500000000 ] - [ -0.0001308500000000, 0.0000755500000000, -0.0004955900000000 ] - [ -0.0000013600000000, 0.0002185200000000, -0.0004128500000000 ] - [ -0.0000809700000000, 0.0000467500000000, -0.0003926200000000 ] - [ -0.0000007300000000, 0.0001803300000000, -0.0006869300000000 ] - [ 0.0000837800000000, 0.0000499700000000, -0.0003842500000000 ] - [ -0.0001565300000000, -0.0000895300000000, -0.0006869300000000 ] - [ 0.0001572500000000, -0.0000907900000000, -0.0006861800000000 ] - [ -0.0000013800000000, -0.0000975400000000, -0.0003842500000000 ] - [ -0.0000827500000000, 0.0000477800000000, -0.0005928000000000 ] - [ 0.0000004000000000, 0.0002313300000000, -0.0007496400000000 ] - [ 0.0000799800000000, 0.0000463400000000, -0.0005946900000000 ] - [ -0.0002001400000000, -0.0001160100000000, -0.0007496400000000 ] - [ 0.0002024200000000, -0.0001168600000000, -0.0007515300000000 ] - [ -0.0000001400000000, -0.0000924400000000, -0.0005946900000000 ] - [ -0.0001255900000000, 0.0000725100000000, -0.0008061700000000 ] - [ 0.0000000600000000, 0.0000242900000000, -0.0006621100000000 ] - [ 0.0001242400000000, 0.0000725000000000, -0.0008076400000000 ] - [ -0.0000210000000000, -0.0000122000000000, -0.0006621100000000 ] - [ -0.0000006700000000, -0.0001438400000000, -0.0008076400000000 ] - [ 0.0000168800000000, -0.0000097400000000, -0.0006603000000000 ] - [ -0.0000007900000000, -0.0000003400000000, -0.0004705600000000 ] - [ 0.0000060500000000, -0.0000034900000000, -0.0006333100000000 ] - [ -0.0000025700000000, -0.0000012900000000, -0.0006314400000000 ] - [ -0.0000001000000000, 0.0000008600000000, -0.0004705600000000 ] - [ -0.0000022600000000, 0.0000013100000000, -0.0004682900000000 ] - [ -0.0000001700000000, 0.0000028700000000, -0.0006314400000000 ] - [ 0.0001901100000000, -0.0001097600000000, -0.0004135000000000 ] - [ -0.0000001800000000, -0.0001477400000000, -0.0005021800000000 ] - [ 0.0001278500000000, 0.0000740300000000, -0.0005021800000000 ] - [ -0.0001873400000000, -0.0001087900000000, -0.0004110400000000 ] - [ -0.0001289100000000, 0.0000744300000000, -0.0005002600000000 ] - [ 0.0000005500000000, 0.0002166400000000, -0.0004110400000000 ] - [ -0.0000791900000000, 0.0000457200000000, -0.0003914600000000 ] - [ -0.0000008100000000, 0.0001816300000000, -0.0006877600000000 ] - [ 0.0000809600000000, 0.0000457400000000, -0.0003897300000000 ] - [ -0.0001577100000000, -0.0000901100000000, -0.0006877600000000 ] - [ 0.0001584200000000, -0.0000914700000000, -0.0006868400000000 ] - [ 0.0000008700000000, -0.0000929800000000, -0.0003897300000000 ] - [ -0.0000822100000000, 0.0000474600000000, -0.0005932600000000 ] - [ 0.0000004300000000, 0.0002341400000000, -0.0007555900000000 ] - [ 0.0000798000000000, 0.0000460700000000, -0.0005948600000000 ] - [ -0.0002025600000000, -0.0001174400000000, -0.0007555900000000 ] - [ 0.0002048300000000, -0.0001182600000000, -0.0007572300000000 ] - [ 0.0000000000000000, -0.0000921400000000, -0.0005948600000000 ] - [ -0.0001247300000000, 0.0000720100000000, -0.0008106800000000 ] - [ -0.0000000400000000, 0.0000232500000000, -0.0006610500000000 ] - [ 0.0001237200000000, 0.0000720800000000, -0.0008120300000000 ] - [ -0.0000201600000000, -0.0000115900000000, -0.0006610500000000 ] - [ -0.0000005600000000, -0.0001431800000000, -0.0008120300000000 ] - [ 0.0000158300000000, -0.0000091400000000, -0.0006591000000000 ] - [ -0.0000007300000000, -0.0000023000000000, -0.0004676200000000 ] - [ 0.0000091900000000, -0.0000053000000000, -0.0006393300000000 ] - [ -0.0000056400000000, -0.0000030000000000, -0.0006372600000000 ] - [ 0.0000016200000000, 0.0000017800000000, -0.0004676200000000 ] - [ -0.0000036400000000, 0.0000021000000000, -0.0004654900000000 ] - [ -0.0000002200000000, 0.0000063800000000, -0.0006372600000000 ] - [ 0.0001938600000000, -0.0001119300000000, -0.0004176100000000 ] - [ -0.0000004200000000, -0.0001502400000000, -0.0004989300000000 ] - [ 0.0001299000000000, 0.0000754900000000, -0.0004989300000000 ] - [ -0.0001912400000000, -0.0001110500000000, -0.0004153100000000 ] - [ -0.0001315200000000, 0.0000759300000000, -0.0004974500000000 ] - [ 0.0000005500000000, 0.0002211500000000, -0.0004153100000000 ]- atom: 74 displacement: [ -0.0050000000070399, 0.0086602540337799, 0.0000000000000000 ] forces: - [ -0.0000003700000000, -0.0000003500000000, 0.0000916500000000 ] - [ 0.0000050700000000, 0.0000013600000000, -0.0001069200000000 ] - [ -0.0004155800000000, 0.0002664600000000, -0.0006771400000000 ] - [ -0.0001278700000000, -0.0000826300000000, 0.0003379300000000 ] - [ -0.0000005800000000, 0.0000002600000000, 0.0001127900000000 ] - [ 0.0000001100000000, -0.0000000500000000, 0.0000948800000000 ] - [ -0.0000003700000000, 0.0000001000000000, -0.0000988600000000 ] - [ -0.0000000800000000, 0.0000002400000000, -0.0001748000000000 ] - [ -0.0000001800000000, -0.0000002200000000, 0.0000420200000000 ] - [ 0.0000000400000000, 0.0000001900000000, 0.0001126000000000 ] - [ 0.0000004700000000, 0.0000001100000000, 0.0000951700000000 ] - [ -0.0000003900000000, 0.0000003100000000, -0.0000979200000000 ] - [ 0.0000001300000000, -0.0000001400000000, -0.0001718400000000 ] - [ -0.0000001000000000, 0.0000003200000000, 0.0000431500000000 ] - [ -0.0000001800000000, -0.0000000400000000, 0.0001138800000000 ] - [ -0.0000004400000000, -0.0000002500000000, 0.0000565800000000 ] - [ -0.0001956200000000, -0.0000801100000000, 0.0001364000000000 ] - [ 0.0015049500000000, 0.0034706400000000, -0.0001793000000000 ] - [ -0.0011361800000000, 0.0032171700000000, 0.0027932200000000 ] - [ 0.0000130400000000, -0.0000198400000000, -0.0002899600000000 ] - [ -0.0000001200000000, 0.0000001800000000, 0.0000581000000000 ] - [ 0.0000003100000000, -0.0000001000000000, -0.0001175300000000 ] - [ -0.0000001200000000, 0.0000000200000000, -0.0000531300000000 ] - [ 0.0000002600000000, -0.0000001400000000, -0.0000002800000000 ] - [ 0.0000001200000000, -0.0000000900000000, -0.0002807000000000 ] - [ 0.0000001400000000, 0.0000000000000000, 0.0000585500000000 ] - [ 0.0000000900000000, 0.0000000100000000, -0.0001112300000000 ] - [ -0.0000002800000000, 0.0000000900000000, -0.0000483500000000 ] - [ 0.0000001600000000, -0.0000000400000000, 0.0000044200000000 ] - [ -0.0000001100000000, 0.0000000800000000, -0.0002832200000000 ] - [ -0.0000207900000000, -0.0000064000000000, -0.0000877600000000 ] - [ -0.0020662700000000, 0.0035170700000000, -0.0004892500000000 ] - [ -0.0020014200000000, 0.0065192800000000, -0.0020448800000000 ] - [ -0.0000216300000000, 0.0000281400000000, -0.0003454000000000 ] - [ -0.0000006900000000, 0.0000005300000000, -0.0000597000000000 ] - [ 0.0000004500000000, -0.0000002100000000, -0.0000321800000000 ] - [ -0.0000006100000000, 0.0000003300000000, -0.0002409300000000 ] - [ 0.0000026600000000, -0.0000013900000000, 0.0000286900000000 ] - [ 0.0000002800000000, 0.0000000100000000, -0.0002384700000000 ] - [ -0.0000006400000000, 0.0000003200000000, -0.0000567300000000 ] - [ 0.0000007200000000, -0.0000003700000000, -0.0000305200000000 ] - [ -0.0000006900000000, 0.0000003700000000, -0.0002387500000000 ] - [ 0.0000030200000000, -0.0000015900000000, 0.0000302300000000 ] - [ 0.0000001300000000, 0.0000001000000000, -0.0002407100000000 ] - [ -0.0000007800000000, 0.0000003800000000, -0.0000557200000000 ] - [ -0.0000002500000000, -0.0000000500000000, 0.0004178300000000 ] - [ 0.0000061600000000, 0.0000020400000000, -0.0005145900000000 ] - [ 0.0009542300000000, 0.0004479400000000, 0.0015484400000000 ] - [ 0.0007074300000000, 0.0003084700000000, -0.0003152800000000 ] - [ 0.0000037800000000, -0.0000020900000000, 0.0003240300000000 ] - [ -0.0000004300000000, 0.0000004300000000, 0.0004278100000000 ] - [ 0.0000008500000000, -0.0000005600000000, -0.0005081200000000 ] - [ 0.0000001500000000, 0.0000000200000000, 0.0002896000000000 ] - [ -0.0000006300000000, 0.0000004400000000, -0.0007116400000000 ] - [ -0.0000009000000000, 0.0000003500000000, 0.0003031600000000 ] - [ -0.0000009900000000, 0.0000006900000000, 0.0004282700000000 ] - [ -0.0000000900000000, -0.0000000400000000, -0.0005070200000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0002964200000000 ] - [ -0.0000010200000000, 0.0000007600000000, -0.0006997100000000 ] - [ -0.0000001900000000, 0.0000000400000000, 0.0003078300000000 ] - [ -0.0001880800000000, 0.0001089900000000, 0.0001754900000000 ] - [ -0.0000015800000000, 0.0000492400000000, -0.0000139900000000 ] - [ 0.0001902300000000, 0.0001091600000000, 0.0001774500000000 ] - [ -0.0000425400000000, -0.0000234500000000, -0.0000136300000000 ] - [ 0.0000433300000000, -0.0000254900000000, -0.0000137400000000 ] - [ 0.0000009800000000, -0.0002189100000000, 0.0001773700000000 ] - [ -0.0001434700000000, 0.0000845700000000, 0.0000793400000000 ] - [ -0.0001192400000000, 0.0004146100000000, -0.0002360900000000 ] - [ 0.0001425900000000, 0.0000817500000000, 0.0000510900000000 ] - [ -0.0002396000000000, -0.0001303200000000, -0.0001213500000000 ] - [ 0.0002831200000000, -0.0002645600000000, -0.0002737300000000 ] - [ 0.0000026400000000, -0.0001634700000000, 0.0000736400000000 ] - [ 0.0001052200000000, -0.0008600400000000, 0.0001217800000000 ] - [ 0.0116053900000000, -0.0438471200000000, 0.0090510400000000 ] - [ -0.0019332500000000, 0.0000552400000000, -0.0034410300000000 ] - [ 0.0069305100000000, 0.0080684800000000, -0.0005710100000000 ] - [ -0.0001400800000000, 0.0004379900000000, -0.0003548500000000 ] - [ -0.0104410100000000, 0.0180894100000000, -0.0005616900000000 ] - [ -0.0001861100000000, 0.0008872700000000, 0.0004714600000000 ] - [ 0.0005938800000000, -0.0009714800000000, -0.0004669700000000 ] - [ -0.0035351600000000, 0.0007370500000000, -0.0058155100000000 ] - [ -0.0002845400000000, -0.0001904600000000, 0.0002915000000000 ] - [ 0.0003635000000000, -0.0004019300000000, 0.0001239000000000 ] - [ -0.0002099600000000, 0.0003820400000000, -0.0005991500000000 ] - [ 0.0000830900000000, -0.0000523400000000, 0.0001250600000000 ] - [ -0.0000010100000000, -0.0001386000000000, 0.0002090800000000 ] - [ 0.0001207100000000, 0.0000707400000000, 0.0002076900000000 ] - [ -0.0000830800000000, -0.0000560300000000, 0.0001107400000000 ] - [ -0.0001226600000000, 0.0000707400000000, 0.0002072000000000 ] - [ 0.0000042000000000, 0.0001018700000000, 0.0001162000000000 ] - [ -0.0001903400000000, 0.0001099300000000, 0.0001782500000000 ] - [ -0.0000009100000000, 0.0000507100000000, -0.0000183600000000 ] - [ 0.0001919700000000, 0.0001098400000000, 0.0001797700000000 ] - [ -0.0000442600000000, -0.0000246700000000, -0.0000192400000000 ] - [ 0.0000449700000000, -0.0000259100000000, -0.0000181000000000 ] - [ 0.0000009300000000, -0.0002210300000000, 0.0001800600000000 ] - [ -0.0001336100000000, 0.0000772700000000, 0.0000728100000000 ] - [ 0.0000004000000000, 0.0001222100000000, -0.0002067800000000 ] - [ 0.0001307300000000, 0.0000757300000000, 0.0000705000000000 ] - [ -0.0001055300000000, -0.0000613400000000, -0.0002073200000000 ] - [ 0.0001077200000000, -0.0000621700000000, -0.0002089500000000 ] - [ -0.0000001100000000, -0.0001510800000000, 0.0000714200000000 ] - [ -0.0001141000000000, 0.0000659000000000, -0.0000944400000000 ] - [ 0.0000000600000000, 0.0000593900000000, -0.0000545100000000 ] - [ 0.0001126500000000, 0.0000658900000000, -0.0000957600000000 ] - [ -0.0000514200000000, -0.0000297400000000, -0.0000544500000000 ] - [ -0.0000007500000000, -0.0001303800000000, -0.0000960500000000 ] - [ 0.0000470800000000, -0.0000270800000000, -0.0000522600000000 ] - [ -0.0000008600000000, -0.0000121800000000, 0.0002153800000000 ] - [ -0.0000388600000000, 0.0000224900000000, -0.0000438800000000 ] - [ 0.0000422600000000, 0.0000247300000000, -0.0000417000000000 ] - [ 0.0000099300000000, 0.0000068700000000, 0.0002156800000000 ] - [ -0.0000124400000000, 0.0000073300000000, 0.0002178900000000 ] - [ -0.0000001900000000, -0.0000488400000000, -0.0000423100000000 ] - [ 0.0000960100000000, -0.0000554600000000, 0.0001320000000000 ] - [ -0.0000003000000000, -0.0001429200000000, 0.0002029400000000 ] - [ 0.0001235700000000, 0.0000718600000000, 0.0002034000000000 ] - [ -0.0000934100000000, -0.0000544600000000, 0.0001339800000000 ] - [ -0.0001247400000000, 0.0000721900000000, 0.0002043000000000 ] - [ 0.0000004400000000, 0.0001082000000000, 0.0001345800000000 ] - [ -0.0001883500000000, 0.0001087300000000, 0.0001749300000000 ] - [ -0.0000009800000000, 0.0000504500000000, -0.0000179500000000 ] - [ 0.0001900200000000, 0.0001087900000000, 0.0001765200000000 ] - [ -0.0000441600000000, -0.0000245400000000, -0.0000189000000000 ] - [ 0.0000448500000000, -0.0000258500000000, -0.0000177000000000 ] - [ 0.0000008200000000, -0.0002187200000000, 0.0001766600000000 ] - [ -0.0001337000000000, 0.0000772900000000, 0.0000730300000000 ] - [ 0.0000003700000000, 0.0001242400000000, -0.0002103700000000 ] - [ 0.0001312400000000, 0.0000759200000000, 0.0000709700000000 ] - [ -0.0001072800000000, -0.0000623600000000, -0.0002109100000000 ] - [ 0.0001096500000000, -0.0000632900000000, -0.0002125900000000 ] - [ -0.0000000800000000, -0.0001515800000000, 0.0000718200000000 ] - [ -0.0001123300000000, 0.0000649000000000, -0.0001004900000000 ] - [ -0.0000000500000000, 0.0000587100000000, -0.0000548900000000 ] - [ 0.0001112200000000, 0.0000649500000000, -0.0001016700000000 ] - [ -0.0000508400000000, -0.0000293000000000, -0.0000547300000000 ] - [ -0.0000006300000000, -0.0001286500000000, -0.0001020000000000 ] - [ 0.0000463700000000, -0.0000267100000000, -0.0000525400000000 ] - [ -0.0000007600000000, -0.0000132300000000, 0.0002174000000000 ] - [ -0.0000367500000000, 0.0000212700000000, -0.0000491200000000 ] - [ 0.0000401700000000, 0.0000235800000000, -0.0000469300000000 ] - [ 0.0000108900000000, 0.0000073500000000, 0.0002176600000000 ] - [ -0.0000130700000000, 0.0000076900000000, 0.0002196300000000 ] - [ -0.0000002900000000, -0.0000464800000000, -0.0000475300000000 ] - [ 0.0000979500000000, -0.0000565800000000, 0.0001294100000000 ] - [ -0.0000004000000000, -0.0001431500000000, 0.0002045400000000 ] - [ 0.0001236500000000, 0.0000720100000000, 0.0002049500000000 ] - [ -0.0000953200000000, -0.0000555700000000, 0.0001314000000000 ] - [ -0.0001253900000000, 0.0000725500000000, 0.0002062400000000 ] - [ 0.0000004500000000, 0.0001105800000000, 0.0001319000000000 ]- atom: 74 displacement: [ 0.0050000000070399, -0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0000011800000000, 0.0000002400000000, 0.0001433600000000 ] - [ -0.0000055900000000, -0.0000009600000000, -0.0000410400000000 ] - [ 0.0004076900000000, -0.0002259900000000, 0.0004260900000000 ] - [ 0.0001267200000000, 0.0000837800000000, -0.0001981000000000 ] - [ 0.0000002900000000, -0.0000000400000000, 0.0001625400000000 ] - [ 0.0000003800000000, 0.0000000700000000, 0.0001474300000000 ] - [ -0.0000003500000000, 0.0000003600000000, -0.0000438700000000 ] - [ -0.0000002500000000, 0.0000000100000000, -0.0001222800000000 ] - [ -0.0000001700000000, 0.0000005200000000, 0.0000951100000000 ] - [ 0.0000000700000000, -0.0000002000000000, 0.0001658100000000 ] - [ 0.0000004800000000, -0.0000003000000000, 0.0001474100000000 ] - [ -0.0000005200000000, 0.0000002700000000, -0.0000427700000000 ] - [ -0.0000000900000000, 0.0000001600000000, -0.0001191600000000 ] - [ 0.0000000900000000, -0.0000002500000000, 0.0000957600000000 ] - [ 0.0000001000000000, 0.0000001700000000, 0.0001670800000000 ] - [ 0.0000005000000000, -0.0000000100000000, 0.0001738400000000 ] - [ 0.0001973500000000, 0.0000777000000000, -0.0002404400000000 ] - [ -0.0014976400000000, -0.0034611000000000, 0.0002085900000000 ] - [ 0.0011422400000000, -0.0033427100000000, -0.0028302100000000 ] - [ -0.0000121800000000, 0.0000193900000000, -0.0001493500000000 ] - [ -0.0000002800000000, 0.0000000100000000, 0.0001755200000000 ] - [ 0.0000001900000000, -0.0000001300000000, 0.0000018000000000 ] - [ 0.0000002500000000, -0.0000002000000000, 0.0000642400000000 ] - [ 0.0000002500000000, -0.0000001700000000, 0.0001144800000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0001590000000000 ] - [ 0.0000001900000000, -0.0000003000000000, 0.0001756700000000 ] - [ 0.0000000500000000, -0.0000000100000000, 0.0000081900000000 ] - [ -0.0000002500000000, 0.0000000300000000, 0.0000694800000000 ] - [ 0.0000001400000000, -0.0000001500000000, 0.0001192000000000 ] - [ -0.0000001600000000, 0.0000001700000000, -0.0001615600000000 ] - [ 0.0000223100000000, 0.0000054500000000, 0.0000709300000000 ] - [ 0.0020721800000000, -0.0038852400000000, 0.0003264500000000 ] - [ 0.0020118100000000, -0.0059418000000000, 0.0018002800000000 ] - [ 0.0000209400000000, -0.0000274300000000, -0.0000789600000000 ] - [ -0.0000003600000000, -0.0000000600000000, -0.0000075900000000 ] - [ 0.0000004400000000, -0.0000002300000000, 0.0000181300000000 ] - [ -0.0000006100000000, 0.0000003100000000, -0.0001920600000000 ] - [ 0.0000026500000000, -0.0000014100000000, 0.0000710000000000 ] - [ 0.0000002900000000, -0.0000000300000000, -0.0001874200000000 ] - [ -0.0000006900000000, 0.0000002700000000, -0.0000062300000000 ] - [ 0.0000007000000000, -0.0000003700000000, 0.0000197600000000 ] - [ -0.0000006800000000, 0.0000003600000000, -0.0001899700000000 ] - [ 0.0000030100000000, -0.0000016100000000, 0.0000727200000000 ] - [ 0.0000001000000000, 0.0000000400000000, -0.0001895700000000 ] - [ -0.0000007800000000, 0.0000003600000000, -0.0000051700000000 ] - [ 0.0000004000000000, 0.0000000600000000, 0.0005106000000000 ] - [ -0.0000056700000000, -0.0000022900000000, -0.0004205100000000 ] - [ -0.0009426300000000, -0.0004587700000000, -0.0008735600000000 ] - [ -0.0007139300000000, -0.0002998900000000, -0.0009914900000000 ] - [ -0.0000041600000000, 0.0000023200000000, 0.0003808800000000 ] - [ -0.0000004300000000, 0.0000002400000000, 0.0005194200000000 ] - [ 0.0000009600000000, -0.0000004900000000, -0.0004015300000000 ] - [ 0.0000000100000000, -0.0000001900000000, 0.0003897300000000 ] - [ -0.0000004400000000, 0.0000002700000000, -0.0006219100000000 ] - [ -0.0000009400000000, 0.0000006900000000, 0.0003940300000000 ] - [ -0.0000009500000000, 0.0000005900000000, 0.0005195900000000 ] - [ 0.0000004300000000, -0.0000001300000000, -0.0004009600000000 ] - [ -0.0000001400000000, 0.0000002200000000, 0.0003967100000000 ] - [ -0.0000004700000000, 0.0000004700000000, -0.0006095400000000 ] - [ -0.0000000200000000, 0.0000000600000000, 0.0003987400000000 ] - [ -0.0001794500000000, 0.0001034300000000, 0.0001248500000000 ] - [ -0.0000003600000000, 0.0000569300000000, -0.0000701500000000 ] - [ 0.0001816600000000, 0.0001037200000000, 0.0001269800000000 ] - [ -0.0000503500000000, -0.0000282900000000, -0.0000722500000000 ] - [ 0.0000502300000000, -0.0000284400000000, -0.0000691700000000 ] - [ 0.0000009100000000, -0.0002093800000000, 0.0001273600000000 ] - [ -0.0001217200000000, 0.0000687200000000, 0.0000198500000000 ] - [ 0.0001211000000000, -0.0001559200000000, -0.0002261600000000 ] - [ 0.0001174200000000, 0.0000687100000000, 0.0000441100000000 ] - [ 0.0000175100000000, -0.0000002600000000, -0.0003406400000000 ] - [ -0.0000578000000000, 0.0001340400000000, -0.0001888200000000 ] - [ -0.0000027800000000, -0.0001371600000000, 0.0000235000000000 ] - [ -0.0003017300000000, 0.0009953800000000, -0.0004194900000000 ] - [ -0.0116168100000000, 0.0438983500000000, -0.0090025900000000 ] - [ 0.0021514900000000, 0.0000907300000000, 0.0031995200000000 ] - [ -0.0070430600000000, -0.0081259400000000, 0.0004002000000000 ] - [ 0.0001323200000000, -0.0007020400000000, 0.0001029500000000 ] - [ 0.0105722200000000, -0.0182228900000000, 0.0003829600000000 ] - [ 0.0001833200000000, -0.0009099800000000, -0.0000976200000000 ] - [ -0.0007128600000000, 0.0010051400000000, 0.0003830100000000 ] - [ 0.0036101300000000, -0.0007034600000000, 0.0056394100000000 ] - [ 0.0003009600000000, 0.0002039500000000, 0.0000829800000000 ] - [ -0.0003853000000000, 0.0004155000000000, 0.0002494000000000 ] - [ 0.0002147500000000, -0.0004702100000000, 0.0004556600000000 ] - [ 0.0001175800000000, -0.0000633300000000, 0.0000948000000000 ] - [ 0.0000000400000000, -0.0001452900000000, 0.0001410700000000 ] - [ 0.0001242700000000, 0.0000721100000000, 0.0001432700000000 ] - [ -0.0001121400000000, -0.0000576400000000, 0.0001128700000000 ] - [ -0.0001259700000000, 0.0000731000000000, 0.0001463400000000 ] - [ -0.0000031600000000, 0.0001248400000000, 0.0001082500000000 ] - [ -0.0001817600000000, 0.0001048900000000, 0.0001275000000000 ] - [ -0.0000008800000000, 0.0000603300000000, -0.0000747700000000 ] - [ 0.0001835000000000, 0.0001049700000000, 0.0001292700000000 ] - [ -0.0000527100000000, -0.0000296200000000, -0.0000756600000000 ] - [ 0.0000533400000000, -0.0000307800000000, -0.0000744500000000 ] - [ 0.0000008400000000, -0.0002119200000000, 0.0001289600000000 ] - [ -0.0001281800000000, 0.0000740700000000, 0.0000186000000000 ] - [ 0.0000004100000000, 0.0001283700000000, -0.0002457300000000 ] - [ 0.0001252100000000, 0.0000725100000000, 0.0000162100000000 ] - [ -0.0001108800000000, -0.0000644800000000, -0.0002463100000000 ] - [ 0.0001129700000000, -0.0000652300000000, -0.0002479000000000 ] - [ -0.0000001300000000, -0.0001448100000000, 0.0000170900000000 ] - [ -0.0001118200000000, 0.0000645200000000, -0.0001589900000000 ] - [ -0.0000000300000000, 0.0000566100000000, -0.0001115700000000 ] - [ 0.0001104600000000, 0.0000645600000000, -0.0001602900000000 ] - [ -0.0000489800000000, -0.0000283100000000, -0.0001114100000000 ] - [ -0.0000007500000000, -0.0001278700000000, -0.0001606100000000 ] - [ 0.0000446700000000, -0.0000257700000000, -0.0001093500000000 ] - [ -0.0000008800000000, -0.0000067300000000, 0.0001587000000000 ] - [ -0.0000400900000000, 0.0000231400000000, -0.0000886500000000 ] - [ 0.0000434300000000, 0.0000253300000000, -0.0000865600000000 ] - [ 0.0000051700000000, 0.0000040600000000, 0.0001589800000000 ] - [ -0.0000077200000000, 0.0000045000000000, 0.0001611900000000 ] - [ -0.0000002200000000, -0.0000502400000000, -0.0000871300000000 ] - [ 0.0001002200000000, -0.0000579400000000, 0.0000926200000000 ] - [ -0.0000003500000000, -0.0001390400000000, 0.0001403100000000 ] - [ 0.0001200700000000, 0.0000698400000000, 0.0001407700000000 ] - [ -0.0000975200000000, -0.0000568700000000, 0.0000947300000000 ] - [ -0.0001214500000000, 0.0000702500000000, 0.0001418200000000 ] - [ 0.0000008000000000, 0.0001131000000000, 0.0000954500000000 ] - [ -0.0001799100000000, 0.0001038200000000, 0.0001243700000000 ] - [ -0.0000009400000000, 0.0000605500000000, -0.0000750100000000 ] - [ 0.0001816400000000, 0.0001039000000000, 0.0001259700000000 ] - [ -0.0000528900000000, -0.0000296600000000, -0.0000758000000000 ] - [ 0.0000535000000000, -0.0000308800000000, -0.0000745100000000 ] - [ 0.0000008700000000, -0.0002090700000000, 0.0001261900000000 ] - [ -0.0001280800000000, 0.0000740100000000, 0.0000182600000000 ] - [ 0.0000003500000000, 0.0001301000000000, -0.0002503300000000 ] - [ 0.0001254700000000, 0.0000725800000000, 0.0000161500000000 ] - [ -0.0001123600000000, -0.0000652800000000, -0.0002508600000000 ] - [ 0.0001146600000000, -0.0000662200000000, -0.0002526000000000 ] - [ -0.0000000900000000, -0.0001450400000000, 0.0000170200000000 ] - [ -0.0001099500000000, 0.0000634500000000, -0.0001647100000000 ] - [ -0.0000000900000000, 0.0000557100000000, -0.0001112900000000 ] - [ 0.0001088700000000, 0.0000635700000000, -0.0001658600000000 ] - [ -0.0000482400000000, -0.0000278100000000, -0.0001111000000000 ] - [ -0.0000006600000000, -0.0001260000000000, -0.0001661000000000 ] - [ 0.0000438000000000, -0.0000252700000000, -0.0001089800000000 ] - [ -0.0000008200000000, -0.0000077700000000, 0.0001603200000000 ] - [ -0.0000377000000000, 0.0000217400000000, -0.0000939800000000 ] - [ 0.0000410500000000, 0.0000240100000000, -0.0000918400000000 ] - [ 0.0000061500000000, 0.0000045300000000, 0.0001607100000000 ] - [ -0.0000083700000000, 0.0000048700000000, 0.0001627500000000 ] - [ -0.0000002800000000, -0.0000475400000000, -0.0000923900000000 ] - [ 0.0001028100000000, -0.0000594400000000, 0.0000892500000000 ] - [ -0.0000004300000000, -0.0001401700000000, 0.0001425300000000 ] - [ 0.0001209900000000, 0.0000704600000000, 0.0001429700000000 ] - [ -0.0001001800000000, -0.0000584400000000, 0.0000912900000000 ] - [ -0.0001228000000000, 0.0000710000000000, 0.0001442800000000 ] - [ 0.0000004500000000, 0.0001162200000000, 0.0000917500000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000016900000000, -0.0003912100000000 ] - [ 0.0000000000000000, -0.0000191500000000, -0.0006072300000000 ] - [ 0.0000000000000000, -0.0006440600000000, 0.0029207400000000 ] - [ 0.0000000000000000, 0.0001598000000000, -0.0002757600000000 ] - [ 0.0000000000000000, 0.0000019900000000, -0.0003729100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003878200000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0005968900000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0006592500000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0004458600000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003724800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0003881700000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0005960300000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0006560300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0004441100000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0003712300000000 ] - [ 0.0000000000000000, -0.0000011200000000, -0.0010365700000000 ] - [ 0.0000000000000000, 0.0003752900000000, -0.0011287200000000 ] - [ 0.0000000000000000, -0.0007478900000000, 0.0191818000000000 ] - [ 0.0000000000000000, 0.0022059800000000, 0.0147318800000000 ] - [ 0.0000000000000000, -0.0000991300000000, -0.0013812600000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0010354800000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0012119400000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0011419200000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0010449000000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0013692800000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0010348400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0012054100000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0011373100000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0010401900000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0013720200000000 ] - [ 0.0000000000000000, 0.0000696700000000, -0.0005272300000000 ] - [ 0.0000000000000000, 0.0009145800000000, 0.0083008500000000 ] - [ 0.0000000000000000, -0.0031108100000000, 0.0115518200000000 ] - [ 0.0000000000000000, 0.0001544000000000, -0.0007691000000000 ] - [ 0.0000000000000000, 0.0000015400000000, -0.0005193400000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0004899700000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0007014200000000 ] - [ 0.0000000000000000, -0.0000014800000000, -0.0003544800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0007023800000000 ] - [ 0.0000000000000000, 0.0000002000000000, -0.0005167600000000 ] - [ 0.0000000000000000, -0.0000004200000000, -0.0004882300000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0006991800000000 ] - [ 0.0000000000000000, -0.0000017000000000, -0.0003529300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007048300000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0005156200000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0004129000000000 ] - [ 0.0000000000000000, -0.0000139000000000, -0.0015042100000000 ] - [ 0.0000000000000000, -0.0018338900000000, 0.0008324300000000 ] - [ 0.0000000000000000, -0.0014052600000000, -0.0008064900000000 ] - [ 0.0000000000000000, -0.0000192300000000, -0.0005203600000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0004027200000000 ] - [ 0.0000000000000000, -0.0000006400000000, -0.0014988300000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0005730200000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0015597700000000 ] - [ 0.0000000000000000, 0.0000005400000000, -0.0005372800000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0004029200000000 ] - [ 0.0000000000000000, 0.0000005000000000, -0.0014965400000000 ] - [ 0.0000000000000000, 0.0000001500000000, -0.0005664800000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0015469400000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0005326600000000 ] - [ -0.0002638200000000, 0.0001519100000000, 0.0005908700000000 ] - [ 0.0000000000000000, -0.0000568700000000, 0.0004926700000000 ] - [ 0.0002638200000000, 0.0001519100000000, 0.0005908700000000 ] - [ 0.0000465400000000, 0.0000286400000000, 0.0004890200000000 ] - [ -0.0000465400000000, 0.0000286400000000, 0.0004890200000000 ] - [ 0.0000000000000000, -0.0003048900000000, 0.0005912600000000 ] - [ -0.0001957300000000, 0.0000994300000000, 0.0006085900000000 ] - [ 0.0000000000000000, -0.0000031500000000, 0.0006350400000000 ] - [ 0.0001957300000000, 0.0000994300000000, 0.0006085900000000 ] - [ -0.0001967500000000, 0.0000471800000000, 0.0001000700000000 ] - [ 0.0001967500000000, 0.0000471800000000, 0.0001000700000000 ] - [ 0.0000000000000000, -0.0002126300000000, 0.0005602000000000 ] - [ -0.0046042900000000, -0.0015235300000000, 0.0026232100000000 ] - [ 0.0000000000000000, 0.0105714800000000, -0.0457289300000000 ] - [ 0.0046042900000000, -0.0015235300000000, 0.0026232100000000 ] - [ 0.0004406200000000, 0.0002438800000000, -0.0092011100000000 ] - [ 0.0000000000000000, -0.0004604200000000, -0.0027370600000000 ] - [ -0.0004406200000000, 0.0002438800000000, -0.0092011100000000 ] - [ 0.0000000000000000, 0.0005253400000000, 0.0017250100000000 ] - [ -0.0052282200000000, -0.0020497200000000, 0.0027392300000000 ] - [ 0.0052282200000000, -0.0020497200000000, 0.0027392300000000 ] - [ -0.0001880700000000, 0.0000227100000000, 0.0004165400000000 ] - [ 0.0001880700000000, 0.0000227100000000, 0.0004165400000000 ] - [ 0.0000000000000000, -0.0000694800000000, -0.0034038900000000 ] - [ -0.0000065700000000, -0.0000300800000000, 0.0005638100000000 ] - [ 0.0000000000000000, -0.0001353200000000, 0.0007532100000000 ] - [ 0.0001192600000000, 0.0000710400000000, 0.0007419200000000 ] - [ 0.0000065700000000, -0.0000300800000000, 0.0005638100000000 ] - [ -0.0001192600000000, 0.0000710400000000, 0.0007419200000000 ] - [ 0.0000000000000000, 0.0000325300000000, 0.0005129600000000 ] - [ -0.0002657200000000, 0.0001527400000000, 0.0005930500000000 ] - [ 0.0000000000000000, -0.0000529000000000, 0.0004842200000000 ] - [ 0.0002657200000000, 0.0001527400000000, 0.0005930500000000 ] - [ 0.0000450600000000, 0.0000263700000000, 0.0004839200000000 ] - [ -0.0000450600000000, 0.0000263700000000, 0.0004839200000000 ] - [ 0.0000000000000000, -0.0003068400000000, 0.0005936400000000 ] - [ -0.0001743800000000, 0.0001007200000000, 0.0005953100000000 ] - [ 0.0000000000000000, 0.0000375200000000, 0.0002236700000000 ] - [ 0.0001743800000000, 0.0001007200000000, 0.0005953100000000 ] - [ -0.0000333700000000, -0.0000195700000000, 0.0002225900000000 ] - [ 0.0000333700000000, -0.0000195700000000, 0.0002225900000000 ] - [ 0.0000000000000000, -0.0001998700000000, 0.0005950500000000 ] - [ -0.0001031700000000, 0.0000599000000000, 0.0004447500000000 ] - [ 0.0000000000000000, 0.0000872800000000, 0.0003989900000000 ] - [ 0.0001031700000000, 0.0000599000000000, 0.0004447500000000 ] - [ -0.0000734600000000, -0.0000424300000000, 0.0004001700000000 ] - [ 0.0000000000000000, -0.0001186400000000, 0.0004437500000000 ] - [ 0.0000734600000000, -0.0000424300000000, 0.0004001700000000 ] - [ 0.0000000000000000, -0.0000196300000000, 0.0007479400000000 ] - [ -0.0000827100000000, 0.0000478400000000, 0.0004095800000000 ] - [ 0.0000827100000000, 0.0000478400000000, 0.0004095800000000 ] - [ 0.0000177300000000, 0.0000107400000000, 0.0007494000000000 ] - [ -0.0000177300000000, 0.0000107400000000, 0.0007494000000000 ] - [ 0.0000000000000000, -0.0000976300000000, 0.0004100200000000 ] - [ 0.0000218300000000, -0.0000129500000000, 0.0005593200000000 ] - [ 0.0000000000000000, -0.0001380000000000, 0.0007397800000000 ] - [ 0.0001197700000000, 0.0000694100000000, 0.0007408800000000 ] - [ -0.0000218300000000, -0.0000129500000000, 0.0005593200000000 ] - [ -0.0001197700000000, 0.0000694100000000, 0.0007408800000000 ] - [ 0.0000000000000000, 0.0000237300000000, 0.0005614500000000 ] - [ -0.0002643100000000, 0.0001520000000000, 0.0005897100000000 ] - [ 0.0000000000000000, -0.0000544500000000, 0.0004860900000000 ] - [ 0.0002643100000000, 0.0001520000000000, 0.0005897100000000 ] - [ 0.0000463700000000, 0.0000272100000000, 0.0004860500000000 ] - [ -0.0000463700000000, 0.0000272100000000, 0.0004860500000000 ] - [ 0.0000000000000000, -0.0003052000000000, 0.0005906900000000 ] - [ -0.0001730600000000, 0.0000999400000000, 0.0005938900000000 ] - [ 0.0000000000000000, 0.0000391100000000, 0.0002188800000000 ] - [ 0.0001730600000000, 0.0000999400000000, 0.0005938900000000 ] - [ -0.0000348600000000, -0.0000203900000000, 0.0002173500000000 ] - [ 0.0000348600000000, -0.0000203900000000, 0.0002173500000000 ] - [ 0.0000000000000000, -0.0001986000000000, 0.0005937300000000 ] - [ -0.0001012700000000, 0.0000587700000000, 0.0004401700000000 ] - [ 0.0000000000000000, 0.0000863900000000, 0.0004001300000000 ] - [ 0.0001012700000000, 0.0000587700000000, 0.0004401700000000 ] - [ -0.0000725200000000, -0.0000419100000000, 0.0004013500000000 ] - [ 0.0000000000000000, -0.0001165700000000, 0.0004395400000000 ] - [ 0.0000725200000000, -0.0000419100000000, 0.0004013500000000 ] - [ 0.0000000000000000, -0.0000206000000000, 0.0007489900000000 ] - [ -0.0000801500000000, 0.0000463800000000, 0.0004040300000000 ] - [ 0.0000801500000000, 0.0000463800000000, 0.0004040300000000 ] - [ 0.0000183600000000, 0.0000110700000000, 0.0007505100000000 ] - [ -0.0000183600000000, 0.0000110700000000, 0.0007505100000000 ] - [ 0.0000000000000000, -0.0000944900000000, 0.0004044500000000 ] - [ 0.0000246100000000, -0.0000145100000000, 0.0005557700000000 ] - [ 0.0000000000000000, -0.0001393400000000, 0.0007423700000000 ] - [ 0.0001211000000000, 0.0000702200000000, 0.0007434400000000 ] - [ -0.0000246100000000, -0.0000145100000000, 0.0005557700000000 ] - [ -0.0001211000000000, 0.0000702200000000, 0.0007434400000000 ] - [ 0.0000000000000000, 0.0000270600000000, 0.0005572700000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000020200000000, 0.0006262800000000 ] - [ 0.0000000000000000, 0.0000190800000000, 0.0004596200000000 ] - [ 0.0000000000000000, 0.0007287900000000, -0.0030672000000000 ] - [ 0.0000000000000000, -0.0001611800000000, 0.0004133600000000 ] - [ 0.0000000000000000, -0.0000019500000000, 0.0006484900000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0006307900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0004551600000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003629500000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0005839800000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0006510000000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0006303000000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0004559200000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003658700000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0005850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006523700000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0012711400000000 ] - [ 0.0000000000000000, -0.0003722000000000, 0.0010279000000000 ] - [ 0.0000000000000000, 0.0007427600000000, -0.0191480800000000 ] - [ 0.0000000000000000, -0.0025377300000000, -0.0151100900000000 ] - [ 0.0000000000000000, 0.0001000400000000, 0.0009386000000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0012728400000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0010973300000000 ] - [ 0.0000000000000000, -0.0000004000000000, 0.0011569800000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0011577800000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0009263800000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0012728200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0011040100000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0011627300000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0011625100000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0009237900000000 ] - [ 0.0000000000000000, -0.0000696800000000, 0.0005106000000000 ] - [ 0.0000000000000000, -0.0011843900000000, -0.0085169900000000 ] - [ 0.0000000000000000, 0.0033984000000000, -0.0116002900000000 ] - [ 0.0000000000000000, -0.0001561900000000, 0.0003438400000000 ] - [ 0.0000000000000000, -0.0000012500000000, 0.0004539700000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0004762400000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0002714700000000 ] - [ 0.0000000000000000, -0.0000015000000000, 0.0004541900000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0002754000000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0004555800000000 ] - [ 0.0000000000000000, -0.0000004500000000, 0.0004779000000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0002736900000000 ] - [ 0.0000000000000000, -0.0000017200000000, 0.0004556900000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0002731700000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0004566900000000 ] - [ 0.0000000000000000, -0.0000009200000000, 0.0013440100000000 ] - [ 0.0000000000000000, 0.0000131800000000, 0.0005710600000000 ] - [ 0.0000000000000000, 0.0018520500000000, -0.0001766000000000 ] - [ 0.0000000000000000, 0.0013912300000000, -0.0004933000000000 ] - [ 0.0000000000000000, 0.0000195700000000, 0.0012245500000000 ] - [ 0.0000000000000000, 0.0000003900000000, 0.0013527500000000 ] - [ 0.0000000000000000, -0.0000006900000000, 0.0005914500000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0012465800000000 ] - [ 0.0000000000000000, 0.0000003600000000, 0.0002264500000000 ] - [ 0.0000000000000000, 0.0000004000000000, 0.0012339000000000 ] - [ 0.0000000000000000, 0.0000008000000000, 0.0013533000000000 ] - [ 0.0000000000000000, -0.0000004300000000, 0.0005908600000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0012541300000000 ] - [ 0.0000000000000000, 0.0000006800000000, 0.0002388900000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0012385600000000 ] - [ -0.0001027200000000, 0.0000587600000000, -0.0002905600000000 ] - [ 0.0000000000000000, 0.0001598500000000, -0.0005739500000000 ] - [ 0.0001027200000000, 0.0000587600000000, -0.0002905600000000 ] - [ -0.0001371600000000, -0.0000800800000000, -0.0005705700000000 ] - [ 0.0001371600000000, -0.0000800800000000, -0.0005705700000000 ] - [ 0.0000000000000000, -0.0001199800000000, -0.0002885700000000 ] - [ -0.0000651200000000, 0.0000509700000000, -0.0005127800000000 ] - [ 0.0000000000000000, 0.0002513100000000, -0.0010826300000000 ] - [ 0.0000651200000000, 0.0000509700000000, -0.0005127800000000 ] - [ -0.0000209400000000, -0.0001720800000000, -0.0005566900000000 ] - [ 0.0000209400000000, -0.0001720800000000, -0.0005566900000000 ] - [ 0.0000000000000000, -0.0000855700000000, -0.0004649900000000 ] - [ 0.0043194600000000, 0.0016145500000000, -0.0028323900000000 ] - [ 0.0000000000000000, -0.0102565900000000, 0.0458313700000000 ] - [ -0.0043194600000000, 0.0016145500000000, -0.0028323900000000 ] - [ -0.0005360500000000, -0.0002887200000000, 0.0090476100000000 ] - [ 0.0000000000000000, 0.0002111100000000, 0.0024408800000000 ] - [ 0.0005360500000000, -0.0002887200000000, 0.0090476100000000 ] - [ 0.0000000000000000, -0.0005513900000000, -0.0013689400000000 ] - [ 0.0052288300000000, 0.0021473400000000, -0.0029356600000000 ] - [ -0.0052288300000000, 0.0021473400000000, -0.0029356600000000 ] - [ 0.0002063000000000, -0.0000121900000000, -0.0000407000000000 ] - [ -0.0002063000000000, -0.0000121900000000, -0.0000407000000000 ] - [ 0.0000000000000000, -0.0000397500000000, 0.0033091600000000 ] - [ 0.0002042700000000, -0.0000844300000000, -0.0003438700000000 ] - [ 0.0000000000000000, -0.0001480800000000, -0.0004032100000000 ] - [ 0.0001270100000000, 0.0000718300000000, -0.0003895900000000 ] - [ -0.0002042700000000, -0.0000844300000000, -0.0003438700000000 ] - [ -0.0001270100000000, 0.0000718300000000, -0.0003895900000000 ] - [ 0.0000000000000000, 0.0001929700000000, -0.0002892200000000 ] - [ -0.0001041900000000, 0.0000596700000000, -0.0002878500000000 ] - [ 0.0000000000000000, 0.0001632300000000, -0.0005772600000000 ] - [ 0.0001041900000000, 0.0000596700000000, -0.0002878500000000 ] - [ -0.0001423000000000, -0.0000818400000000, -0.0005777300000000 ] - [ 0.0001423000000000, -0.0000818400000000, -0.0005777300000000 ] - [ 0.0000000000000000, -0.0001216300000000, -0.0002869600000000 ] - [ -0.0000820100000000, 0.0000474000000000, -0.0005082400000000 ] - [ 0.0000000000000000, 0.0002067500000000, -0.0006696500000000 ] - [ 0.0000820100000000, 0.0000474000000000, -0.0005082400000000 ] - [ -0.0001799700000000, -0.0001042300000000, -0.0006714600000000 ] - [ 0.0001799700000000, -0.0001042300000000, -0.0006714600000000 ] - [ 0.0000000000000000, -0.0000929500000000, -0.0005088300000000 ] - [ -0.0001161800000000, 0.0000673800000000, -0.0007027100000000 ] - [ 0.0000000000000000, 0.0000292300000000, -0.0005663800000000 ] - [ 0.0001161800000000, 0.0000673800000000, -0.0007027100000000 ] - [ -0.0000232300000000, -0.0000134700000000, -0.0005652300000000 ] - [ 0.0000000000000000, -0.0001335900000000, -0.0007037600000000 ] - [ 0.0000232300000000, -0.0000134700000000, -0.0005652300000000 ] - [ 0.0000000000000000, 0.0000039100000000, -0.0003765600000000 ] - [ -0.0000059000000000, 0.0000034700000000, -0.0005374900000000 ] - [ 0.0000059000000000, 0.0000034700000000, -0.0005374900000000 ] - [ -0.0000028000000000, -0.0000011600000000, -0.0003752100000000 ] - [ 0.0000028000000000, -0.0000011600000000, -0.0003752100000000 ] - [ 0.0000000000000000, -0.0000089200000000, -0.0005370000000000 ] - [ 0.0001694500000000, -0.0000982000000000, -0.0003317700000000 ] - [ 0.0000000000000000, -0.0001405200000000, -0.0003987900000000 ] - [ 0.0001220000000000, 0.0000706700000000, -0.0003976800000000 ] - [ -0.0001694500000000, -0.0000982000000000, -0.0003317700000000 ] - [ -0.0001220000000000, 0.0000706700000000, -0.0003976800000000 ] - [ 0.0000000000000000, 0.0001943900000000, -0.0003302000000000 ] - [ -0.0001027200000000, 0.0000586100000000, -0.0002915000000000 ] - [ 0.0000000000000000, 0.0001636900000000, -0.0005779000000000 ] - [ 0.0001027200000000, 0.0000586100000000, -0.0002915000000000 ] - [ -0.0001426800000000, -0.0000819800000000, -0.0005784600000000 ] - [ 0.0001426800000000, -0.0000819800000000, -0.0005784600000000 ] - [ 0.0000000000000000, -0.0001188300000000, -0.0002905000000000 ] - [ -0.0000823500000000, 0.0000475700000000, -0.0005080500000000 ] - [ 0.0000000000000000, 0.0002084600000000, -0.0006749100000000 ] - [ 0.0000823500000000, 0.0000475700000000, -0.0005080500000000 ] - [ -0.0001815700000000, -0.0001051800000000, -0.0006764800000000 ] - [ 0.0001815700000000, -0.0001051800000000, -0.0006764800000000 ] - [ 0.0000000000000000, -0.0000935300000000, -0.0005084700000000 ] - [ -0.0001142600000000, 0.0000662100000000, -0.0007081700000000 ] - [ 0.0000000000000000, 0.0000282700000000, -0.0005655500000000 ] - [ 0.0001142600000000, 0.0000662100000000, -0.0007081700000000 ] - [ -0.0000222300000000, -0.0000129100000000, -0.0005643100000000 ] - [ 0.0000000000000000, -0.0001315800000000, -0.0007092900000000 ] - [ 0.0000222300000000, -0.0000129100000000, -0.0005643100000000 ] - [ 0.0000000000000000, 0.0000032400000000, -0.0003750100000000 ] - [ -0.0000039200000000, 0.0000023000000000, -0.0005425800000000 ] - [ 0.0000039200000000, 0.0000023000000000, -0.0005425800000000 ] - [ -0.0000024300000000, -0.0000010100000000, -0.0003738400000000 ] - [ 0.0000024300000000, -0.0000010100000000, -0.0003738400000000 ] - [ 0.0000000000000000, -0.0000063900000000, -0.0005420900000000 ] - [ 0.0001720500000000, -0.0000996700000000, -0.0003352600000000 ] - [ 0.0000000000000000, -0.0001420800000000, -0.0003963600000000 ] - [ 0.0001234600000000, 0.0000715300000000, -0.0003952400000000 ] - [ -0.0001720500000000, -0.0000996700000000, -0.0003352600000000 ] - [ -0.0001234600000000, 0.0000715300000000, -0.0003952400000000 ] - [ 0.0000000000000000, 0.0001972900000000, -0.0003337800000000 ]- atom: 79 displacement: [ -0.0050000000070399, 0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0000004500000000, 0.0000000600000000, 0.0001281100000000 ] - [ -0.0000000600000000, 0.0000003100000000, -0.0000630800000000 ] - [ 0.0000047000000000, -0.0000080900000000, -0.0001599500000000 ] - [ -0.0008945300000000, 0.0014548700000000, -0.0005126000000000 ] - [ -0.0000996800000000, -0.0000852700000000, 0.0003869700000000 ] - [ 0.0000001500000000, -0.0000000100000000, 0.0001320300000000 ] - [ -0.0000003300000000, 0.0000007400000000, -0.0000599700000000 ] - [ -0.0000001600000000, 0.0000000100000000, -0.0001379500000000 ] - [ -0.0000002300000000, 0.0000000800000000, 0.0000787700000000 ] - [ 0.0000000400000000, -0.0000004200000000, 0.0001496900000000 ] - [ 0.0000002200000000, -0.0000001900000000, 0.0001335900000000 ] - [ -0.0000003400000000, 0.0000004400000000, -0.0000591200000000 ] - [ 0.0000001000000000, 0.0000000000000000, -0.0001349100000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0000796900000000 ] - [ -0.0000001100000000, 0.0000002800000000, 0.0001510900000000 ] - [ 0.0000106500000000, -0.0000077400000000, 0.0001319800000000 ] - [ -0.0000019600000000, -0.0000003600000000, -0.0000268800000000 ] - [ -0.0002439700000000, -0.0002259000000000, 0.0007698500000000 ] - [ -0.0007608300000000, -0.0006419200000000, -0.0024005500000000 ] - [ -0.0009953600000000, 0.0024454600000000, 0.0004419900000000 ] - [ -0.0000001800000000, 0.0000000000000000, 0.0001401000000000 ] - [ 0.0000002500000000, -0.0000001200000000, -0.0000347500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0000291700000000 ] - [ 0.0000003100000000, -0.0000001100000000, 0.0000798100000000 ] - [ 0.0000001400000000, -0.0000000100000000, -0.0001958800000000 ] - [ 0.0000002000000000, -0.0000001900000000, 0.0001405500000000 ] - [ 0.0000001200000000, 0.0000000200000000, -0.0000282900000000 ] - [ -0.0000002200000000, 0.0000000900000000, 0.0000337000000000 ] - [ 0.0000001700000000, -0.0000000700000000, 0.0000845300000000 ] - [ -0.0000001000000000, 0.0000001900000000, -0.0001983700000000 ] - [ 0.0000004100000000, -0.0000003000000000, -0.0000002500000000 ] - [ -0.0000211100000000, 0.0000219100000000, -0.0003286000000000 ] - [ 0.0004106300000000, 0.0004450000000000, 0.0006730500000000 ] - [ -0.0013574100000000, 0.0018301200000000, -0.0013895700000000 ] - [ -0.0000169700000000, 0.0000084200000000, -0.0000973200000000 ] - [ 0.0000004700000000, -0.0000002000000000, 0.0000022400000000 ] - [ -0.0000005900000000, 0.0000003100000000, -0.0002068100000000 ] - [ 0.0000026900000000, -0.0000013800000000, 0.0000581200000000 ] - [ 0.0000003000000000, -0.0000000400000000, -0.0002034300000000 ] - [ -0.0000006400000000, 0.0000003300000000, -0.0000212400000000 ] - [ 0.0000007500000000, -0.0000003700000000, 0.0000038200000000 ] - [ -0.0000006700000000, 0.0000003500000000, -0.0002046000000000 ] - [ 0.0000030400000000, -0.0000016000000000, 0.0000597400000000 ] - [ 0.0000001600000000, 0.0000000400000000, -0.0002054100000000 ] - [ -0.0000007500000000, 0.0000003800000000, -0.0000202200000000 ] - [ 0.0000001200000000, -0.0000000900000000, 0.0004827000000000 ] - [ 0.0000003100000000, -0.0000000700000000, -0.0004472300000000 ] - [ -0.0014253000000000, 0.0269201000000000, -0.0191426200000000 ] - [ 0.0000066600000000, 0.0000020100000000, -0.0006196700000000 ] - [ 0.0007780600000000, 0.0005814300000000, 0.0013039100000000 ] - [ -0.0000004800000000, 0.0000003200000000, 0.0004918200000000 ] - [ 0.0000009200000000, -0.0000004700000000, -0.0004343000000000 ] - [ 0.0000000700000000, 0.0000001200000000, 0.0003609900000000 ] - [ -0.0000005500000000, 0.0000003500000000, -0.0006499200000000 ] - [ -0.0000009200000000, 0.0000006000000000, 0.0003659400000000 ] - [ 0.0000022200000000, 0.0000006500000000, 0.0005066100000000 ] - [ 0.0000001900000000, 0.0000000500000000, -0.0004349600000000 ] - [ -0.0000002600000000, 0.0000003000000000, 0.0003680500000000 ] - [ -0.0000009700000000, 0.0000005000000000, -0.0006380700000000 ] - [ -0.0000001800000000, 0.0000000600000000, 0.0003705800000000 ] - [ -0.0001934400000000, 0.0001107300000000, 0.0001328100000000 ] - [ -0.0000009600000000, 0.0000547100000000, -0.0000537300000000 ] - [ 0.0001937800000000, 0.0001075900000000, 0.0001220100000000 ] - [ -0.0000477900000000, -0.0000266700000000, -0.0000545500000000 ] - [ 0.0000482300000000, -0.0000277900000000, -0.0000530500000000 ] - [ 0.0000036600000000, -0.0002222700000000, 0.0001312600000000 ] - [ -0.0001308600000000, 0.0000756300000000, 0.0000396900000000 ] - [ -0.0000005700000000, 0.0001298800000000, -0.0002329100000000 ] - [ 0.0001283400000000, 0.0000741600000000, 0.0000372400000000 ] - [ -0.0001115700000000, -0.0000646000000000, -0.0002329300000000 ] - [ 0.0001138000000000, -0.0000665300000000, -0.0002360500000000 ] - [ 0.0000000100000000, -0.0001482100000000, 0.0000383300000000 ] - [ -0.0001454600000000, 0.0000766200000000, -0.0001582200000000 ] - [ -0.0001842700000000, 0.0009613600000000, 0.0003781800000000 ] - [ 0.0001501900000000, 0.0000791200000000, -0.0001932300000000 ] - [ -0.0003459700000000, -0.0002947700000000, 0.0001092300000000 ] - [ 0.0000010800000000, -0.0001559100000000, -0.0001628400000000 ] - [ 0.0003668800000000, -0.0004705800000000, -0.0000001500000000 ] - [ 0.0120123700000000, -0.0604039200000000, 0.0283826200000000 ] - [ 0.0029917300000000, -0.0020164000000000, -0.0022982900000000 ] - [ -0.0042582400000000, -0.0006064900000000, -0.0065501900000000 ] - [ 0.0099236000000000, 0.0099940500000000, 0.0026374300000000 ] - [ -0.0136128100000000, 0.0193732500000000, 0.0031429400000000 ] - [ -0.0000842900000000, 0.0001524600000000, 0.0001575700000000 ] - [ 0.0009950400000000, -0.0007084200000000, -0.0004367100000000 ] - [ -0.0001480300000000, 0.0005812000000000, 0.0003048900000000 ] - [ -0.0001196900000000, -0.0001115700000000, 0.0002651200000000 ] - [ -0.0029114400000000, 0.0006192000000000, -0.0045393800000000 ] - [ 0.0001818700000000, -0.0002821900000000, 0.0001391700000000 ] - [ -0.0002101200000000, 0.0004698800000000, 0.0000260700000000 ] - [ -0.0001852200000000, 0.0001069400000000, 0.0001414900000000 ] - [ -0.0000008600000000, 0.0000574000000000, -0.0000583000000000 ] - [ 0.0001870000000000, 0.0001069800000000, 0.0001431200000000 ] - [ -0.0000500600000000, -0.0000280700000000, -0.0000591600000000 ] - [ 0.0000508000000000, -0.0000292600000000, -0.0000579700000000 ] - [ 0.0000009100000000, -0.0002152000000000, 0.0001432700000000 ] - [ -0.0001288200000000, 0.0000744600000000, 0.0000355600000000 ] - [ 0.0000004300000000, 0.0001254900000000, -0.0002312600000000 ] - [ 0.0001259200000000, 0.0000728900000000, 0.0000332000000000 ] - [ -0.0001082900000000, -0.0000630000000000, -0.0002319300000000 ] - [ 0.0001105100000000, -0.0000638000000000, -0.0002335300000000 ] - [ -0.0000000800000000, -0.0001455500000000, 0.0000340900000000 ] - [ -0.0001113600000000, 0.0000643300000000, -0.0001409900000000 ] - [ 0.0000000200000000, 0.0000575800000000, -0.0000960500000000 ] - [ 0.0001100600000000, 0.0000643300000000, -0.0001422900000000 ] - [ -0.0000498000000000, -0.0000287700000000, -0.0000959000000000 ] - [ -0.0000006900000000, -0.0001273900000000, -0.0001426300000000 ] - [ 0.0000455700000000, -0.0000262300000000, -0.0000938600000000 ] - [ -0.0000008200000000, -0.0000069400000000, 0.0001763500000000 ] - [ -0.0000418500000000, 0.0000242100000000, -0.0000736300000000 ] - [ 0.0000452700000000, 0.0000264100000000, -0.0000715100000000 ] - [ 0.0000054300000000, 0.0000042100000000, 0.0001766100000000 ] - [ -0.0000079000000000, 0.0000046600000000, 0.0001788400000000 ] - [ -0.0000001700000000, -0.0000523800000000, -0.0000720000000000 ] - [ 0.0000976900000000, -0.0000564400000000, 0.0001068300000000 ] - [ -0.0000003000000000, -0.0001387400000000, 0.0001579900000000 ] - [ 0.0001198700000000, 0.0000697000000000, 0.0001584500000000 ] - [ -0.0000949600000000, -0.0000554100000000, 0.0001088400000000 ] - [ -0.0001211500000000, 0.0000701000000000, 0.0001594600000000 ] - [ 0.0000005100000000, 0.0001101000000000, 0.0001094600000000 ] - [ -0.0001834100000000, 0.0001058700000000, 0.0001386900000000 ] - [ -0.0000013300000000, 0.0000613000000000, -0.0000561800000000 ] - [ 0.0001851700000000, 0.0001059700000000, 0.0001402900000000 ] - [ -0.0000526300000000, -0.0000294200000000, -0.0000575600000000 ] - [ 0.0000535000000000, -0.0000312100000000, -0.0000577100000000 ] - [ 0.0000008500000000, -0.0002131200000000, 0.0001404300000000 ] - [ -0.0001287500000000, 0.0000744000000000, 0.0000353900000000 ] - [ 0.0000003800000000, 0.0001273000000000, -0.0002358500000000 ] - [ 0.0001262500000000, 0.0000729400000000, 0.0000332200000000 ] - [ -0.0001098900000000, -0.0000638900000000, -0.0002364300000000 ] - [ 0.0001122700000000, -0.0000648400000000, -0.0002381500000000 ] - [ -0.0000000100000000, -0.0001458400000000, 0.0000340900000000 ] - [ -0.0001097300000000, 0.0000633800000000, -0.0001464500000000 ] - [ -0.0000000500000000, 0.0000566500000000, -0.0000955800000000 ] - [ 0.0001087200000000, 0.0000634600000000, -0.0001476000000000 ] - [ -0.0000490400000000, -0.0000282500000000, -0.0000954100000000 ] - [ -0.0000006100000000, -0.0001257700000000, -0.0001479400000000 ] - [ 0.0000446900000000, -0.0000257200000000, -0.0000932800000000 ] - [ -0.0000007600000000, -0.0000081100000000, 0.0001778600000000 ] - [ -0.0000391800000000, 0.0000226600000000, -0.0000792700000000 ] - [ 0.0000426400000000, 0.0000249400000000, -0.0000771100000000 ] - [ 0.0000064300000000, 0.0000046900000000, 0.0001780300000000 ] - [ -0.0000085900000000, 0.0000050400000000, 0.0001800700000000 ] - [ -0.0000002400000000, -0.0000492600000000, -0.0000777000000000 ] - [ 0.0001001300000000, -0.0000578400000000, 0.0001032700000000 ] - [ -0.0000004000000000, -0.0001395700000000, 0.0001599700000000 ] - [ 0.0001206300000000, 0.0000702300000000, 0.0001604900000000 ] - [ -0.0000974800000000, -0.0000568500000000, 0.0001052400000000 ] - [ -0.0001223300000000, 0.0000707600000000, 0.0001617600000000 ] - [ 0.0000004700000000, 0.0001130300000000, 0.0001058600000000 ]- atom: 79 displacement: [ 0.0050000000070399, -0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0000002600000000, 0.0000001300000000, 0.0001068100000000 ] - [ -0.0000004400000000, 0.0000003400000000, -0.0000849200000000 ] - [ -0.0000051100000000, 0.0000086600000000, -0.0001306100000000 ] - [ 0.0009067100000000, -0.0014500800000000, 0.0006520800000000 ] - [ 0.0000983700000000, 0.0000868400000000, -0.0001120600000000 ] - [ 0.0000002600000000, 0.0000003800000000, 0.0001103300000000 ] - [ -0.0000004600000000, 0.0000000700000000, -0.0000826100000000 ] - [ -0.0000002600000000, 0.0000005700000000, -0.0001593900000000 ] - [ -0.0000002300000000, 0.0000005200000000, 0.0000584900000000 ] - [ -0.0000000600000000, 0.0000006500000000, 0.0001286800000000 ] - [ 0.0000006200000000, 0.0000003300000000, 0.0001091300000000 ] - [ -0.0000006400000000, 0.0000004900000000, -0.0000816500000000 ] - [ -0.0000001300000000, 0.0000003400000000, -0.0001562900000000 ] - [ -0.0000000600000000, 0.0000003500000000, 0.0000591400000000 ] - [ -0.0000000300000000, 0.0000000800000000, 0.0001299100000000 ] - [ -0.0000103500000000, 0.0000076700000000, 0.0000985900000000 ] - [ 0.0000017100000000, 0.0000008600000000, -0.0000778200000000 ] - [ 0.0002463700000000, 0.0002243700000000, -0.0007391100000000 ] - [ 0.0007462800000000, 0.0006992900000000, 0.0025572000000000 ] - [ 0.0010037000000000, -0.0025363000000000, -0.0009888400000000 ] - [ -0.0000003300000000, 0.0000004900000000, 0.0000927300000000 ] - [ 0.0000001900000000, 0.0000002100000000, -0.0000810000000000 ] - [ -0.0000002400000000, 0.0000003100000000, -0.0000170500000000 ] - [ 0.0000001500000000, 0.0000001300000000, 0.0000338400000000 ] - [ -0.0000000200000000, 0.0000003100000000, -0.0002444400000000 ] - [ 0.0000000200000000, 0.0000002100000000, 0.0000933100000000 ] - [ -0.0000000500000000, 0.0000003400000000, -0.0000748600000000 ] - [ -0.0000003800000000, 0.0000003900000000, -0.0000123600000000 ] - [ 0.0000000600000000, 0.0000002200000000, 0.0000386000000000 ] - [ -0.0000002700000000, 0.0000003800000000, -0.0002471800000000 ] - [ 0.0000007200000000, 0.0000000400000000, -0.0000165000000000 ] - [ 0.0000197100000000, -0.0000210100000000, -0.0001022400000000 ] - [ -0.0004099300000000, -0.0004444700000000, -0.0005634500000000 ] - [ 0.0013566100000000, -0.0014492100000000, 0.0007044100000000 ] - [ 0.0000153200000000, -0.0000072600000000, 0.0000304100000000 ] - [ 0.0000003300000000, 0.0000001000000000, -0.0000163500000000 ] - [ -0.0000007200000000, 0.0000006100000000, -0.0002260200000000 ] - [ 0.0000025500000000, -0.0000010900000000, 0.0000412500000000 ] - [ 0.0000001800000000, 0.0000003100000000, -0.0002241200000000 ] - [ -0.0000007600000000, 0.0000006200000000, -0.0000416400000000 ] - [ 0.0000005800000000, -0.0000000300000000, -0.0000147300000000 ] - [ -0.0000008100000000, 0.0000006600000000, -0.0002238500000000 ] - [ 0.0000029100000000, -0.0000012600000000, 0.0000427600000000 ] - [ 0.0000000200000000, 0.0000004000000000, -0.0002262500000000 ] - [ -0.0000008800000000, 0.0000006800000000, -0.0000406600000000 ] - [ -0.0000000900000000, 0.0000004400000000, 0.0004454800000000 ] - [ 0.0000002000000000, 0.0000000600000000, -0.0004888400000000 ] - [ 0.0012597100000000, -0.0282703600000000, 0.0209687500000000 ] - [ -0.0000066700000000, -0.0000015800000000, -0.0006903200000000 ] - [ -0.0007689500000000, -0.0005885200000000, -0.0006032500000000 ] - [ -0.0000005100000000, 0.0000006900000000, 0.0004548300000000 ] - [ 0.0000008400000000, -0.0000002900000000, -0.0004755600000000 ] - [ 0.0000001300000000, 0.0000001400000000, 0.0003199100000000 ] - [ -0.0000005900000000, 0.0000007200000000, -0.0006846900000000 ] - [ -0.0000010600000000, 0.0000007300000000, 0.0003306400000000 ] - [ -0.0000041700000000, 0.0000009000000000, 0.0004411100000000 ] - [ 0.0000006400000000, -0.0000002500000000, -0.0004740700000000 ] - [ -0.0000002800000000, 0.0000004900000000, 0.0003268100000000 ] - [ -0.0000011700000000, 0.0000011500000000, -0.0006728800000000 ] - [ -0.0000001300000000, 0.0000003700000000, 0.0003354400000000 ] - [ -0.0001759200000000, 0.0001027500000000, 0.0001645300000000 ] - [ -0.0000010500000000, 0.0000507400000000, -0.0000310100000000 ] - [ 0.0001797700000000, 0.0001062400000000, 0.0001791600000000 ] - [ -0.0000441900000000, -0.0000242000000000, -0.0000319800000000 ] - [ 0.0000443700000000, -0.0000253100000000, -0.0000304300000000 ] - [ -0.0000017600000000, -0.0002072700000000, 0.0001701100000000 ] - [ -0.0001330300000000, 0.0000771100000000, 0.0000619200000000 ] - [ 0.0000010900000000, 0.0001221700000000, -0.0002187600000000 ] - [ 0.0001301400000000, 0.0000756900000000, 0.0000600400000000 ] - [ -0.0001060300000000, -0.0000613900000000, -0.0002202200000000 ] - [ 0.0001073200000000, -0.0000609400000000, -0.0002198400000000 ] - [ -0.0000002300000000, -0.0001502000000000, 0.0000606800000000 ] - [ -0.0000756400000000, 0.0000513900000000, -0.0001096100000000 ] - [ 0.0001850400000000, -0.0008397200000000, -0.0005545600000000 ] - [ 0.0000677900000000, 0.0000488500000000, -0.0000769900000000 ] - [ 0.0002430400000000, 0.0002341700000000, -0.0002856000000000 ] - [ -0.0000026400000000, -0.0000961700000000, -0.0001081400000000 ] - [ -0.0002713300000000, 0.0004153700000000, -0.0001677100000000 ] - [ -0.0118402300000000, 0.0613136700000000, -0.0288082700000000 ] - [ -0.0030565800000000, 0.0020768800000000, 0.0021342100000000 ] - [ 0.0043674700000000, 0.0006930800000000, 0.0064702300000000 ] - [ -0.0099354900000000, -0.0099890900000000, -0.0022763200000000 ] - [ 0.0136266800000000, -0.0193947100000000, -0.0027842900000000 ] - [ 0.0000744400000000, -0.0002306800000000, -0.0002976400000000 ] - [ -0.0008247300000000, 0.0005801500000000, 0.0007030000000000 ] - [ 0.0001457200000000, -0.0008639300000000, 0.0000440000000000 ] - [ 0.0003627700000000, 0.0002552900000000, 0.0000842800000000 ] - [ 0.0027096800000000, -0.0007480400000000, 0.0047316500000000 ] - [ -0.0004290600000000, 0.0004258700000000, 0.0002082500000000 ] - [ 0.0002158000000000, -0.0002343100000000, 0.0001933100000000 ] - [ -0.0001881700000000, 0.0001088900000000, 0.0001609400000000 ] - [ -0.0000009900000000, 0.0000537100000000, -0.0000360400000000 ] - [ 0.0001897100000000, 0.0001089600000000, 0.0001626400000000 ] - [ -0.0000467500000000, -0.0000257500000000, -0.0000369600000000 ] - [ 0.0000472200000000, -0.0000269600000000, -0.0000357300000000 ] - [ 0.0000007800000000, -0.0002181500000000, 0.0001627700000000 ] - [ -0.0001320400000000, 0.0000765400000000, 0.0000585100000000 ] - [ 0.0000003100000000, 0.0001226900000000, -0.0002131800000000 ] - [ 0.0001289500000000, 0.0000750400000000, 0.0000561400000000 ] - [ -0.0001059100000000, -0.0000612300000000, -0.0002140000000000 ] - [ 0.0001077600000000, -0.0000619600000000, -0.0002154800000000 ] - [ -0.0000002700000000, -0.0001488000000000, 0.0000570300000000 ] - [ -0.0001121400000000, 0.0000650300000000, -0.0001169100000000 ] - [ -0.0000001600000000, 0.0000591900000000, -0.0000758300000000 ] - [ 0.0001106700000000, 0.0000651100000000, -0.0001181200000000 ] - [ -0.0000510200000000, -0.0000290800000000, -0.0000756100000000 ] - [ -0.0000008400000000, -0.0001277600000000, -0.0001185900000000 ] - [ 0.0000465100000000, -0.0000265400000000, -0.0000735600000000 ] - [ -0.0000010100000000, -0.0000089600000000, 0.0002001300000000 ] - [ -0.0000424000000000, 0.0000247900000000, -0.0000559100000000 ] - [ 0.0000455300000000, 0.0000269500000000, -0.0000537300000000 ] - [ 0.0000071800000000, 0.0000056800000000, 0.0002003100000000 ] - [ -0.0000099400000000, 0.0000061000000000, 0.0002025800000000 ] - [ -0.0000002800000000, -0.0000524000000000, -0.0000543900000000 ] - [ 0.0000955400000000, -0.0000549800000000, 0.0001233200000000 ] - [ -0.0000004500000000, -0.0001392400000000, 0.0001821900000000 ] - [ 0.0001203500000000, 0.0000704100000000, 0.0001825600000000 ] - [ -0.0000930800000000, -0.0000539200000000, 0.0001254200000000 ] - [ -0.0001219400000000, 0.0000708000000000, 0.0001836000000000 ] - [ 0.0000003000000000, 0.0001083000000000, 0.0001259000000000 ] - [ -0.0001860800000000, 0.0001076900000000, 0.0001574900000000 ] - [ -0.0000006600000000, 0.0000499000000000, -0.0000381000000000 ] - [ 0.0001876000000000, 0.0001077600000000, 0.0001591100000000 ] - [ -0.0000443400000000, -0.0000243600000000, -0.0000384800000000 ] - [ 0.0000446200000000, -0.0000250900000000, -0.0000357800000000 ] - [ 0.0000007600000000, -0.0002157400000000, 0.0001592300000000 ] - [ -0.0001315300000000, 0.0000762500000000, 0.0000580100000000 ] - [ 0.0000002400000000, 0.0001247800000000, -0.0002176300000000 ] - [ 0.0001287900000000, 0.0000749500000000, 0.0000559800000000 ] - [ -0.0001076700000000, -0.0000622000000000, -0.0002184100000000 ] - [ 0.0001096800000000, -0.0000630700000000, -0.0002199400000000 ] - [ -0.0000002700000000, -0.0001486000000000, 0.0000568400000000 ] - [ -0.0001105400000000, 0.0000641200000000, -0.0001224000000000 ] - [ -0.0000002200000000, 0.0000584100000000, -0.0000757500000000 ] - [ 0.0001094000000000, 0.0000642800000000, -0.0001234300000000 ] - [ -0.0000504000000000, -0.0000286200000000, -0.0000755300000000 ] - [ -0.0000007300000000, -0.0001262100000000, -0.0001239000000000 ] - [ 0.0000457400000000, -0.0000261100000000, -0.0000734200000000 ] - [ -0.0000009300000000, -0.0000101900000000, 0.0002019800000000 ] - [ -0.0000397900000000, 0.0000232700000000, -0.0000614200000000 ] - [ 0.0000429300000000, 0.0000255000000000, -0.0000592400000000 ] - [ 0.0000084000000000, 0.0000062900000000, 0.0002022800000000 ] - [ -0.0000108300000000, 0.0000066100000000, 0.0002043300000000 ] - [ -0.0000003500000000, -0.0000495700000000, -0.0000597600000000 ] - [ 0.0000983100000000, -0.0000565800000000, 0.0001198400000000 ] - [ -0.0000005300000000, -0.0001404700000000, 0.0001842700000000 ] - [ 0.0001213900000000, 0.0000711000000000, 0.0001847000000000 ] - [ -0.0000959300000000, -0.0000555800000000, 0.0001218400000000 ] - [ -0.0001233900000000, 0.0000716100000000, 0.0001860000000000 ] - [ 0.0000003400000000, 0.0001116000000000, 0.0001223100000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000001300000000, -0.0004738900000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0006848100000000 ] - [ 0.0000000000000000, -0.0000478200000000, -0.0007507800000000 ] - [ 0.0000000000000000, -0.0002012000000000, 0.0096678200000000 ] - [ 0.0000000000000000, 0.0001615600000000, -0.0003398800000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0004703600000000 ] - [ 0.0000000000000000, 0.0000003800000000, -0.0006820700000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0007412500000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0005320300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0004561600000000 ] - [ 0.0000000000000000, 0.0000014300000000, -0.0004691500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006811900000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0007379400000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0005307600000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0004548800000000 ] - [ 0.0000000000000000, -0.0000969700000000, -0.0012357600000000 ] - [ 0.0000000000000000, 0.0000070200000000, -0.0013902600000000 ] - [ 0.0000000000000000, 0.0004635800000000, -0.0011316300000000 ] - [ 0.0000000000000000, -0.0000844300000000, 0.0080680200000000 ] - [ 0.0000000000000000, -0.0014554500000000, 0.0086660900000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0012275900000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0013965700000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0013308200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0012261100000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0015561800000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0012274000000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0013899000000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0013264200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0012215200000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0015586300000000 ] - [ 0.0000000000000000, 0.0000008100000000, -0.0005692600000000 ] - [ 0.0000000000000000, 0.0001661800000000, -0.0008192300000000 ] - [ 0.0000000000000000, -0.0011113500000000, -0.0000260100000000 ] - [ 0.0000000000000000, 0.0006592600000000, 0.0096398400000000 ] - [ 0.0000000000000000, 0.0001381700000000, -0.0006441400000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005674100000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0007814200000000 ] - [ 0.0000000000000000, -0.0000013000000000, -0.0004206200000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0007830400000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0005975100000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0005658600000000 ] - [ 0.0000000000000000, 0.0000004800000000, -0.0007792600000000 ] - [ 0.0000000000000000, -0.0000014800000000, -0.0004189000000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0007851500000000 ] - [ 0.0000000000000000, 0.0000005200000000, -0.0005964500000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0005575800000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0016807600000000 ] - [ 0.0000000000000000, -0.0205442700000000, 0.0301465900000000 ] - [ 0.0000000000000000, -0.0000235100000000, -0.0016825100000000 ] - [ 0.0000000000000000, -0.0017148400000000, 0.0004645900000000 ] - [ 0.0000000000000000, 0.0000004900000000, -0.0005492400000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0016684100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0007264400000000 ] - [ 0.0000000000000000, 0.0000005100000000, -0.0017024500000000 ] - [ 0.0000000000000000, 0.0000005700000000, -0.0006805700000000 ] - [ 0.0000000000000000, -0.0000171200000000, -0.0005394600000000 ] - [ 0.0000000000000000, 0.0000024800000000, -0.0016675000000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0007205000000000 ] - [ 0.0000000000000000, 0.0000008000000000, -0.0016905200000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0006759000000000 ] - [ -0.0003048700000000, 0.0001463900000000, 0.0006717100000000 ] - [ 0.0000000000000000, -0.0000725900000000, 0.0005756400000000 ] - [ 0.0003048700000000, 0.0001463900000000, 0.0006717100000000 ] - [ 0.0000623100000000, 0.0000366400000000, 0.0005753500000000 ] - [ -0.0000623100000000, 0.0000366400000000, 0.0005753500000000 ] - [ 0.0000000000000000, -0.0003154700000000, 0.0006247400000000 ] - [ -0.0001840400000000, 0.0001063100000000, 0.0006907600000000 ] - [ 0.0000000000000000, 0.0000296500000000, 0.0002994100000000 ] - [ 0.0001840400000000, 0.0001063100000000, 0.0006907600000000 ] - [ -0.0000295600000000, -0.0000141000000000, 0.0002907500000000 ] - [ 0.0000295600000000, -0.0000141000000000, 0.0002907500000000 ] - [ 0.0000000000000000, -0.0002108700000000, 0.0006895700000000 ] - [ -0.0001373700000000, 0.0000453700000000, 0.0005506400000000 ] - [ 0.0000000000000000, 0.0003922200000000, 0.0014616800000000 ] - [ 0.0001373700000000, 0.0000453700000000, 0.0005506400000000 ] - [ -0.0001548000000000, 0.0001043200000000, 0.0001358100000000 ] - [ 0.0000000000000000, -0.0001310800000000, 0.0004610900000000 ] - [ 0.0001548000000000, 0.0001043200000000, 0.0001358100000000 ] - [ 0.0000000000000000, 0.0333578700000000, -0.0533531800000000 ] - [ -0.0056611500000000, -0.0017304300000000, 0.0046056800000000 ] - [ 0.0056611500000000, -0.0017304300000000, 0.0046056800000000 ] - [ -0.0024451400000000, -0.0019950100000000, -0.0117979500000000 ] - [ 0.0024451400000000, -0.0019950100000000, -0.0117979500000000 ] - [ 0.0000000000000000, 0.0006651800000000, -0.0034929600000000 ] - [ -0.0039630500000000, -0.0022622000000000, 0.0031830000000000 ] - [ 0.0000000000000000, 0.0003263800000000, 0.0017374000000000 ] - [ -0.0000315800000000, 0.0001162100000000, 0.0005101500000000 ] - [ 0.0039630500000000, -0.0022622000000000, 0.0031830000000000 ] - [ 0.0000315800000000, 0.0001162100000000, 0.0005101500000000 ] - [ 0.0000000000000000, 0.0005277000000000, -0.0025142500000000 ] - [ -0.0002815600000000, 0.0001621900000000, 0.0006653500000000 ] - [ 0.0000000000000000, -0.0000698800000000, 0.0005702700000000 ] - [ 0.0002815600000000, 0.0001621900000000, 0.0006653500000000 ] - [ 0.0000599300000000, 0.0000351600000000, 0.0005700000000000 ] - [ -0.0000599300000000, 0.0000351600000000, 0.0005700000000000 ] - [ 0.0000000000000000, -0.0003252100000000, 0.0006662900000000 ] - [ -0.0001830500000000, 0.0001059200000000, 0.0006870500000000 ] - [ 0.0000000000000000, 0.0000246800000000, 0.0002998200000000 ] - [ 0.0001830500000000, 0.0001059200000000, 0.0006870500000000 ] - [ -0.0000219500000000, -0.0000127700000000, 0.0002985000000000 ] - [ 0.0000219500000000, -0.0000127700000000, 0.0002985000000000 ] - [ 0.0000000000000000, -0.0002095800000000, 0.0006867000000000 ] - [ -0.0001023800000000, 0.0000596300000000, 0.0005322800000000 ] - [ 0.0000000000000000, 0.0000927900000000, 0.0004718800000000 ] - [ 0.0001023800000000, 0.0000596300000000, 0.0005322800000000 ] - [ -0.0000779800000000, -0.0000448600000000, 0.0004732700000000 ] - [ 0.0000000000000000, -0.0001176700000000, 0.0005314000000000 ] - [ 0.0000779800000000, -0.0000448600000000, 0.0004732700000000 ] - [ 0.0000000000000000, -0.0000236500000000, 0.0008474600000000 ] - [ -0.0000874500000000, 0.0000507800000000, 0.0004881800000000 ] - [ 0.0000874500000000, 0.0000507800000000, 0.0004881800000000 ] - [ 0.0000213000000000, 0.0000130000000000, 0.0008488200000000 ] - [ -0.0000213000000000, 0.0000130000000000, 0.0008488200000000 ] - [ 0.0000000000000000, -0.0001028400000000, 0.0004886600000000 ] - [ 0.0000100000000000, -0.0000059200000000, 0.0006353800000000 ] - [ 0.0000000000000000, -0.0001372200000000, 0.0008321400000000 ] - [ 0.0001192700000000, 0.0000693000000000, 0.0008331000000000 ] - [ -0.0000100000000000, -0.0000059200000000, 0.0006353800000000 ] - [ -0.0001192700000000, 0.0000693000000000, 0.0008331000000000 ] - [ 0.0000000000000000, 0.0000105800000000, 0.0006365900000000 ] - [ -0.0002795000000000, 0.0001609600000000, 0.0006621100000000 ] - [ 0.0000000000000000, -0.0000671400000000, 0.0005794000000000 ] - [ 0.0002795000000000, 0.0001609600000000, 0.0006621100000000 ] - [ 0.0000575400000000, 0.0000353000000000, 0.0005669700000000 ] - [ -0.0000575400000000, 0.0000353000000000, 0.0005669700000000 ] - [ 0.0000000000000000, -0.0003226800000000, 0.0006630000000000 ] - [ -0.0001842100000000, 0.0001062200000000, 0.0006881100000000 ] - [ 0.0000000000000000, 0.0000300900000000, 0.0002939400000000 ] - [ 0.0001842100000000, 0.0001062200000000, 0.0006881100000000 ] - [ -0.0000268400000000, -0.0000155600000000, 0.0002917800000000 ] - [ 0.0000268400000000, -0.0000155600000000, 0.0002917800000000 ] - [ 0.0000000000000000, -0.0002108100000000, 0.0006872900000000 ] - [ -0.0001043100000000, 0.0000607000000000, 0.0005296600000000 ] - [ 0.0000000000000000, 0.0000919900000000, 0.0004721700000000 ] - [ 0.0001043100000000, 0.0000607000000000, 0.0005296600000000 ] - [ -0.0000772100000000, -0.0000444200000000, 0.0004734200000000 ] - [ 0.0000000000000000, -0.0001200200000000, 0.0005287700000000 ] - [ 0.0000772100000000, -0.0000444200000000, 0.0004734200000000 ] - [ 0.0000000000000000, -0.0000247300000000, 0.0008492900000000 ] - [ -0.0000851200000000, 0.0000494200000000, 0.0004826800000000 ] - [ 0.0000851200000000, 0.0000494200000000, 0.0004826800000000 ] - [ 0.0000221300000000, 0.0000134500000000, 0.0008505900000000 ] - [ -0.0000221300000000, 0.0000134500000000, 0.0008505900000000 ] - [ 0.0000000000000000, -0.0001000300000000, 0.0004827500000000 ] - [ 0.0000131300000000, -0.0000076900000000, 0.0006317600000000 ] - [ 0.0000000000000000, -0.0001387100000000, 0.0008342700000000 ] - [ 0.0001207200000000, 0.0000701800000000, 0.0008355500000000 ] - [ -0.0000131300000000, -0.0000076900000000, 0.0006317600000000 ] - [ -0.0001207200000000, 0.0000701800000000, 0.0008355500000000 ] - [ 0.0000000000000000, 0.0000143900000000, 0.0006349300000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000000600000000, 0.0007092500000000 ] - [ 0.0000000000000000, 0.0000005000000000, 0.0005357700000000 ] - [ 0.0000000000000000, 0.0000476100000000, 0.0004612300000000 ] - [ 0.0000000000000000, 0.0002008900000000, -0.0095433000000000 ] - [ 0.0000000000000000, -0.0001623300000000, 0.0006139600000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0007130400000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0005383500000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0004449900000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0006690400000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0007357300000000 ] - [ 0.0000000000000000, -0.0000015100000000, 0.0007121500000000 ] - [ 0.0000000000000000, 0.0000007600000000, 0.0005393200000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0004479800000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0006698100000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0007369500000000 ] - [ 0.0000000000000000, 0.0000982500000000, 0.0014716400000000 ] - [ 0.0000000000000000, -0.0000066500000000, 0.0012866400000000 ] - [ 0.0000000000000000, -0.0004600900000000, 0.0011650600000000 ] - [ 0.0000000000000000, 0.0002378700000000, -0.0076760800000000 ] - [ 0.0000000000000000, 0.0012712400000000, -0.0094369300000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0014657600000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0012814500000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0013443200000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0013429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011166400000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0014656300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012886000000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0013484100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0013474200000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0011146200000000 ] - [ 0.0000000000000000, -0.0000012700000000, 0.0005531300000000 ] - [ 0.0000000000000000, -0.0001632000000000, 0.0003904800000000 ] - [ 0.0000000000000000, 0.0010986400000000, 0.0001384100000000 ] - [ 0.0000000000000000, -0.0004038900000000, -0.0102648600000000 ] - [ 0.0000000000000000, -0.0001392600000000, 0.0005791900000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0005537700000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0003507700000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0005205800000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0003574400000000 ] - [ 0.0000000000000000, 0.0000003700000000, 0.0005359800000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0005553300000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0003530800000000 ] - [ 0.0000000000000000, -0.0000015600000000, 0.0005225500000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0003552000000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0005369300000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0014900900000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0007409600000000 ] - [ 0.0000000000000000, 0.0195179400000000, -0.0290234200000000 ] - [ 0.0000000000000000, 0.0000234100000000, 0.0003723700000000 ] - [ 0.0000000000000000, 0.0017336100000000, 0.0002231700000000 ] - [ 0.0000000000000000, 0.0000004200000000, 0.0014999100000000 ] - [ 0.0000000000000000, -0.0000004800000000, 0.0007538700000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0014099600000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0003675700000000 ] - [ 0.0000000000000000, 0.0000007100000000, 0.0013783600000000 ] - [ 0.0000000000000000, 0.0000187400000000, 0.0014901700000000 ] - [ 0.0000000000000000, -0.0000027900000000, 0.0007550500000000 ] - [ 0.0000000000000000, 0.0000004800000000, 0.0014172200000000 ] - [ 0.0000000000000000, 0.0000007300000000, 0.0003794300000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0013831200000000 ] - [ -0.0000570600000000, 0.0000620800000000, -0.0003853500000000 ] - [ 0.0000000000000000, 0.0001768400000000, -0.0006681300000000 ] - [ 0.0000570600000000, 0.0000620800000000, -0.0003853500000000 ] - [ -0.0001536200000000, -0.0000881900000000, -0.0006682400000000 ] - [ 0.0001536200000000, -0.0000881900000000, -0.0006682400000000 ] - [ 0.0000000000000000, -0.0001038500000000, -0.0003355300000000 ] - [ -0.0000849800000000, 0.0000493700000000, -0.0005799000000000 ] - [ 0.0000000000000000, 0.0002341100000000, -0.0007528300000000 ] - [ 0.0000849800000000, 0.0000493700000000, -0.0005799000000000 ] - [ -0.0001999200000000, -0.0001185900000000, -0.0007469100000000 ] - [ 0.0001999200000000, -0.0001185900000000, -0.0007469100000000 ] - [ 0.0000000000000000, -0.0000966800000000, -0.0005793200000000 ] - [ -0.0000930700000000, 0.0000882300000000, -0.0008185100000000 ] - [ 0.0000000000000000, -0.0002666100000000, -0.0016302700000000 ] - [ 0.0000930700000000, 0.0000882300000000, -0.0008185100000000 ] - [ 0.0000550400000000, -0.0001602500000000, -0.0003192300000000 ] - [ 0.0000000000000000, -0.0001333700000000, -0.0007322200000000 ] - [ -0.0000550400000000, -0.0001602500000000, -0.0003192300000000 ] - [ 0.0000000000000000, -0.0326670800000000, 0.0535347500000000 ] - [ 0.0054960000000000, 0.0017453700000000, -0.0046667300000000 ] - [ -0.0054960000000000, 0.0017453700000000, -0.0046667300000000 ] - [ 0.0024701500000000, 0.0020122100000000, 0.0121980800000000 ] - [ -0.0024701500000000, 0.0020122100000000, 0.0121980800000000 ] - [ 0.0000000000000000, -0.0007489700000000, 0.0033168200000000 ] - [ 0.0042379000000000, 0.0021870800000000, -0.0030193400000000 ] - [ 0.0000000000000000, -0.0006236300000000, -0.0013992900000000 ] - [ 0.0002849900000000, 0.0000301300000000, -0.0001533000000000 ] - [ -0.0042379000000000, 0.0021870800000000, -0.0030193400000000 ] - [ -0.0002849900000000, 0.0000301300000000, -0.0001533000000000 ] - [ 0.0000000000000000, -0.0003006900000000, 0.0027734400000000 ] - [ -0.0000856000000000, 0.0000489700000000, -0.0003730900000000 ] - [ 0.0000000000000000, 0.0001799500000000, -0.0006738400000000 ] - [ 0.0000856000000000, 0.0000489700000000, -0.0003730900000000 ] - [ -0.0001565500000000, -0.0000899100000000, -0.0006741300000000 ] - [ 0.0001565500000000, -0.0000899100000000, -0.0006741300000000 ] - [ 0.0000000000000000, -0.0000990100000000, -0.0003721400000000 ] - [ -0.0000833900000000, 0.0000483400000000, -0.0005836400000000 ] - [ 0.0000000000000000, 0.0002286700000000, -0.0007426800000000 ] - [ 0.0000833900000000, 0.0000483400000000, -0.0005836400000000 ] - [ -0.0001988600000000, -0.0001149800000000, -0.0007441600000000 ] - [ 0.0001988600000000, -0.0001149800000000, -0.0007441600000000 ] - [ 0.0000000000000000, -0.0000946700000000, -0.0005840200000000 ] - [ -0.0001248500000000, 0.0000725500000000, -0.0007963500000000 ] - [ 0.0000000000000000, 0.0000253300000000, -0.0006499000000000 ] - [ 0.0001248500000000, 0.0000725500000000, -0.0007963500000000 ] - [ -0.0000197900000000, -0.0000112900000000, -0.0006487300000000 ] - [ 0.0000000000000000, -0.0001436200000000, -0.0007972100000000 ] - [ 0.0000197900000000, -0.0000112900000000, -0.0006487300000000 ] - [ 0.0000000000000000, 0.0000007300000000, -0.0004603900000000 ] - [ 0.0000027700000000, -0.0000014200000000, -0.0006197500000000 ] - [ -0.0000027700000000, -0.0000014200000000, -0.0006197500000000 ] - [ 0.0000001000000000, 0.0000006300000000, -0.0004590600000000 ] - [ -0.0000001000000000, 0.0000006300000000, -0.0004590600000000 ] - [ 0.0000000000000000, 0.0000013500000000, -0.0006192500000000 ] - [ 0.0001872900000000, -0.0001083800000000, -0.0004049100000000 ] - [ 0.0000000000000000, -0.0001480800000000, -0.0004886400000000 ] - [ 0.0001285300000000, 0.0000745700000000, -0.0004877500000000 ] - [ -0.0001872900000000, -0.0001083800000000, -0.0004049100000000 ] - [ -0.0001285300000000, 0.0000745700000000, -0.0004877500000000 ] - [ 0.0000000000000000, 0.0002150000000000, -0.0004031400000000 ] - [ -0.0000839300000000, 0.0000479100000000, -0.0003766200000000 ] - [ 0.0000000000000000, 0.0001767500000000, -0.0006819800000000 ] - [ 0.0000839300000000, 0.0000479100000000, -0.0003766200000000 ] - [ -0.0001537900000000, -0.0000897600000000, -0.0006698100000000 ] - [ 0.0001537900000000, -0.0000897600000000, -0.0006698100000000 ] - [ 0.0000000000000000, -0.0000969300000000, -0.0003757400000000 ] - [ -0.0000826000000000, 0.0000481400000000, -0.0005837800000000 ] - [ 0.0000000000000000, 0.0002320600000000, -0.0007476100000000 ] - [ 0.0000826000000000, 0.0000481400000000, -0.0005837800000000 ] - [ -0.0002017900000000, -0.0001166900000000, -0.0007484900000000 ] - [ 0.0002017900000000, -0.0001166900000000, -0.0007484900000000 ] - [ 0.0000000000000000, -0.0000944700000000, -0.0005833100000000 ] - [ -0.0001238400000000, 0.0000719100000000, -0.0008001100000000 ] - [ 0.0000000000000000, 0.0000245400000000, -0.0006498400000000 ] - [ 0.0001238400000000, 0.0000719100000000, -0.0008001100000000 ] - [ -0.0000188900000000, -0.0000108000000000, -0.0006485800000000 ] - [ 0.0000000000000000, -0.0001426200000000, -0.0008009200000000 ] - [ 0.0000188900000000, -0.0000108000000000, -0.0006485800000000 ] - [ 0.0000000000000000, 0.0000005100000000, -0.0004591100000000 ] - [ 0.0000044800000000, -0.0000024100000000, -0.0006245900000000 ] - [ -0.0000044800000000, -0.0000024100000000, -0.0006245900000000 ] - [ 0.0000001800000000, 0.0000006500000000, -0.0004578600000000 ] - [ -0.0000001800000000, 0.0000006500000000, -0.0004578600000000 ] - [ 0.0000000000000000, 0.0000033700000000, -0.0006236900000000 ] - [ 0.0001885900000000, -0.0001090600000000, -0.0004066900000000 ] - [ 0.0000000000000000, -0.0001481100000000, -0.0004871900000000 ] - [ 0.0001288000000000, 0.0000747400000000, -0.0004863400000000 ] - [ -0.0001885900000000, -0.0001090600000000, -0.0004066900000000 ] - [ -0.0001288000000000, 0.0000747400000000, -0.0004863400000000 ] - [ 0.0000000000000000, 0.0002164400000000, -0.0004052500000000 ]- atom: 80 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000007100000000, -0.0000002800000000, 0.0001570400000000 ] - [ 0.0000001600000000, 0.0000004300000000, -0.0000309500000000 ] - [ -0.0000314800000000, 0.0001520300000000, 0.0002104700000000 ] - [ 0.0000119200000000, 0.0004189600000000, -0.0009462500000000 ] - [ 0.0000011500000000, -0.0000064700000000, 0.0001704100000000 ] - [ 0.0000008900000000, -0.0000002600000000, 0.0001608100000000 ] - [ -0.0000001000000000, 0.0000003200000000, -0.0000299800000000 ] - [ 0.0000003600000000, -0.0000000100000000, -0.0001083800000000 ] - [ -0.0000001300000000, 0.0000000600000000, 0.0001083800000000 ] - [ 0.0000003000000000, -0.0000001400000000, 0.0001792700000000 ] - [ 0.0000008100000000, -0.0000002600000000, 0.0001609900000000 ] - [ -0.0000000100000000, 0.0000001200000000, -0.0000288500000000 ] - [ -0.0000000200000000, 0.0000001400000000, -0.0001054900000000 ] - [ 0.0000002900000000, -0.0000001600000000, 0.0001093500000000 ] - [ 0.0000001300000000, 0.0000000200000000, 0.0001805300000000 ] - [ -0.0000001000000000, 0.0000027300000000, 0.0002058800000000 ] - [ -0.0000092900000000, -0.0000018600000000, 0.0000242800000000 ] - [ 0.0023256400000000, -0.0003378800000000, 0.0005514800000000 ] - [ 0.0028295700000000, -0.0010273700000000, -0.0019336600000000 ] - [ -0.0000511300000000, 0.0003546400000000, 0.0003130300000000 ] - [ 0.0000000500000000, -0.0000000100000000, 0.0002067500000000 ] - [ 0.0000004600000000, -0.0000001800000000, 0.0000320000000000 ] - [ 0.0000002200000000, -0.0000001200000000, 0.0000962400000000 ] - [ 0.0000005400000000, -0.0000002200000000, 0.0001434700000000 ] - [ 0.0000003600000000, -0.0000001000000000, -0.0001295500000000 ] - [ 0.0000004200000000, -0.0000001700000000, 0.0002069400000000 ] - [ 0.0000002600000000, -0.0000000300000000, 0.0000383800000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0001010600000000 ] - [ 0.0000004300000000, -0.0000001600000000, 0.0001481500000000 ] - [ 0.0000000900000000, 0.0000000000000000, -0.0001320400000000 ] - [ 0.0000000700000000, -0.0000015100000000, 0.0000377700000000 ] - [ 0.0001068900000000, -0.0005105000000000, 0.0003572100000000 ] - [ -0.0011496200000000, 0.0022220000000000, 0.0011398200000000 ] - [ 0.0001867600000000, -0.0006385400000000, 0.0000378700000000 ] - [ 0.0000003700000000, -0.0000040400000000, 0.0000085700000000 ] - [ 0.0000006800000000, -0.0000003100000000, 0.0000308700000000 ] - [ -0.0000003600000000, 0.0000002400000000, -0.0001786700000000 ] - [ 0.0000029200000000, -0.0000014700000000, 0.0000817200000000 ] - [ 0.0000005500000000, -0.0000001200000000, -0.0001750300000000 ] - [ -0.0000004200000000, 0.0000002200000000, 0.0000067300000000 ] - [ 0.0000009400000000, -0.0000004500000000, 0.0000325900000000 ] - [ -0.0000004300000000, 0.0000002800000000, -0.0001766100000000 ] - [ 0.0000032600000000, -0.0000016800000000, 0.0000835300000000 ] - [ 0.0000004100000000, -0.0000000300000000, -0.0001772400000000 ] - [ -0.0000005200000000, 0.0000002800000000, 0.0000077900000000 ] - [ 0.0000003900000000, -0.0000000500000000, 0.0005336000000000 ] - [ 0.0000010000000000, -0.0000003000000000, -0.0003877900000000 ] - [ 0.0217230400000000, -0.0108382100000000, -0.0192708100000000 ] - [ 0.0000330900000000, 0.0000053400000000, -0.0007336100000000 ] - [ -0.0000095500000000, 0.0000600400000000, 0.0002676900000000 ] - [ -0.0000001200000000, 0.0000002500000000, 0.0005427500000000 ] - [ 0.0000012000000000, -0.0000006100000000, -0.0003735000000000 ] - [ 0.0000003700000000, -0.0000001200000000, 0.0004129700000000 ] - [ -0.0000002600000000, 0.0000002000000000, -0.0005984700000000 ] - [ -0.0000006700000000, 0.0000003200000000, 0.0004176000000000 ] - [ -0.0000007400000000, 0.0000010400000000, 0.0005421400000000 ] - [ 0.0000008200000000, -0.0000004000000000, -0.0003728900000000 ] - [ 0.0000001500000000, 0.0000001600000000, 0.0004197800000000 ] - [ -0.0000007600000000, 0.0000004600000000, -0.0005863800000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0004224000000000 ] - [ -0.0001767400000000, 0.0001029200000000, 0.0001132600000000 ] - [ -0.0000007600000000, 0.0000602400000000, -0.0000842800000000 ] - [ 0.0001795100000000, 0.0001033300000000, 0.0001155700000000 ] - [ -0.0000524400000000, -0.0000295500000000, -0.0000850900000000 ] - [ 0.0000533300000000, -0.0000307200000000, -0.0000836900000000 ] - [ 0.0000010700000000, -0.0002074500000000, 0.0001171700000000 ] - [ -0.0001251000000000, 0.0000727200000000, 0.0000099600000000 ] - [ -0.0000025200000000, 0.0001173100000000, -0.0002786200000000 ] - [ 0.0001234400000000, 0.0000714500000000, 0.0000060700000000 ] - [ -0.0000986800000000, -0.0000561300000000, -0.0002661200000000 ] - [ 0.0001012600000000, -0.0000614800000000, -0.0002711100000000 ] - [ 0.0000002300000000, -0.0001427400000000, 0.0000077700000000 ] - [ 0.0004293500000000, -0.0000994400000000, 0.0000925300000000 ] - [ 0.0029239300000000, 0.0024837100000000, -0.0052864700000000 ] - [ -0.0002511600000000, 0.0000083700000000, -0.0001042600000000 ] - [ -0.0012290600000000, -0.0007068300000000, -0.0009077900000000 ] - [ -0.0000388200000000, 0.0001105500000000, -0.0000469900000000 ] - [ 0.0005161800000000, -0.0000491300000000, -0.0000934000000000 ] - [ 0.0012773200000000, 0.0042439400000000, -0.0054145600000000 ] - [ -0.0529676300000000, 0.0164073600000000, 0.0251461200000000 ] - [ 0.0228143800000000, 0.0018739000000000, 0.0032866300000000 ] - [ -0.0032754200000000, -0.0012268100000000, -0.0010809400000000 ] - [ 0.0001852500000000, -0.0000209200000000, 0.0008036300000000 ] - [ 0.0035857400000000, -0.0129475700000000, 0.0028040900000000 ] - [ 0.0004172800000000, -0.0001008700000000, 0.0000769300000000 ] - [ 0.0000013500000000, -0.0001627000000000, 0.0000945300000000 ] - [ 0.0001383500000000, 0.0000741500000000, 0.0001292900000000 ] - [ -0.0003518100000000, -0.0000587100000000, 0.0001035500000000 ] - [ -0.0001394600000000, 0.0000756000000000, 0.0001368800000000 ] - [ -0.0000299900000000, 0.0002490100000000, 0.0002430500000000 ] - [ -0.0001799900000000, 0.0001039900000000, 0.0001159100000000 ] - [ -0.0000006400000000, 0.0000628700000000, -0.0000885800000000 ] - [ 0.0001821800000000, 0.0001040000000000, 0.0001175100000000 ] - [ -0.0000546700000000, -0.0000309500000000, -0.0000894400000000 ] - [ 0.0000558600000000, -0.0000321600000000, -0.0000882800000000 ] - [ 0.0000011400000000, -0.0002095100000000, 0.0001176900000000 ] - [ -0.0001260400000000, 0.0000729000000000, 0.0000035500000000 ] - [ 0.0000006700000000, 0.0001292700000000, -0.0002564000000000 ] - [ 0.0001236400000000, 0.0000713500000000, 0.0000012000000000 ] - [ -0.0001114100000000, -0.0000650100000000, -0.0002570000000000 ] - [ 0.0001141100000000, -0.0000658100000000, -0.0002586300000000 ] - [ 0.0000001400000000, -0.0001427000000000, 0.0000020800000000 ] - [ -0.0001107300000000, 0.0000640000000000, -0.0001755800000000 ] - [ 0.0000002500000000, 0.0000558600000000, -0.0001243100000000 ] - [ 0.0001098600000000, 0.0000640000000000, -0.0001768900000000 ] - [ -0.0000481600000000, -0.0000280600000000, -0.0001241300000000 ] - [ -0.0000004600000000, -0.0001269300000000, -0.0001772300000000 ] - [ 0.0000443800000000, -0.0000255100000000, -0.0001220800000000 ] - [ -0.0000006000000000, -0.0000059300000000, 0.0001437900000000 ] - [ -0.0000395200000000, 0.0000229200000000, -0.0001007400000000 ] - [ 0.0000434000000000, 0.0000251300000000, -0.0000986200000000 ] - [ 0.0000046500000000, 0.0000035400000000, 0.0001440100000000 ] - [ -0.0000067000000000, 0.0000040200000000, 0.0001462900000000 ] - [ 0.0000000500000000, -0.0000500000000000, -0.0000991600000000 ] - [ 0.0001018400000000, -0.0000588100000000, 0.0000813100000000 ] - [ -0.0000000800000000, -0.0001385000000000, 0.0001248000000000 ] - [ 0.0001198300000000, 0.0000694600000000, 0.0001252400000000 ] - [ -0.0000986300000000, -0.0000577500000000, 0.0000833500000000 ] - [ -0.0001206600000000, 0.0000698700000000, 0.0001262700000000 ] - [ 0.0000006900000000, 0.0001145800000000, 0.0000838900000000 ] - [ -0.0001782100000000, 0.0001029300000000, 0.0001126400000000 ] - [ -0.0000007000000000, 0.0000627200000000, -0.0000889200000000 ] - [ 0.0001804500000000, 0.0001030200000000, 0.0001142500000000 ] - [ -0.0000545600000000, -0.0000308600000000, -0.0000894400000000 ] - [ 0.0000557200000000, -0.0000321400000000, -0.0000881300000000 ] - [ 0.0000011000000000, -0.0002074800000000, 0.0001144000000000 ] - [ -0.0001258600000000, 0.0000727800000000, 0.0000029800000000 ] - [ 0.0000006100000000, 0.0001315800000000, -0.0002616800000000 ] - [ 0.0001238000000000, 0.0000713900000000, 0.0000009600000000 ] - [ -0.0001133700000000, -0.0000661100000000, -0.0002622600000000 ] - [ 0.0001165500000000, -0.0000668700000000, -0.0002637200000000 ] - [ 0.0000001600000000, -0.0001428100000000, 0.0000018100000000 ] - [ -0.0001092100000000, 0.0000631300000000, -0.0001809100000000 ] - [ 0.0000001800000000, 0.0000549700000000, -0.0001240600000000 ] - [ 0.0001086100000000, 0.0000632100000000, -0.0001820700000000 ] - [ -0.0000474300000000, -0.0000275500000000, -0.0001238400000000 ] - [ -0.0000003900000000, -0.0001254700000000, -0.0001824200000000 ] - [ 0.0000435000000000, -0.0000250000000000, -0.0001217500000000 ] - [ -0.0000005200000000, -0.0000068900000000, 0.0001454500000000 ] - [ -0.0000372100000000, 0.0000215700000000, -0.0001058900000000 ] - [ 0.0000411100000000, 0.0000238400000000, -0.0001037300000000 ] - [ 0.0000055800000000, 0.0000039800000000, 0.0001456900000000 ] - [ -0.0000072000000000, 0.0000043000000000, 0.0001476600000000 ] - [ -0.0000000100000000, -0.0000473300000000, -0.0001043200000000 ] - [ 0.0001040700000000, -0.0000601000000000, 0.0000782900000000 ] - [ -0.0000001600000000, -0.0001392500000000, 0.0001267100000000 ] - [ 0.0001204600000000, 0.0000699400000000, 0.0001271900000000 ] - [ -0.0001010200000000, -0.0000591300000000, 0.0000801900000000 ] - [ -0.0001216600000000, 0.0000704400000000, 0.0001284500000000 ] - [ 0.0000006900000000, 0.0001173500000000, 0.0000807400000000 ]- atom: 80 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002800000000, -0.0000005600000000, 0.0000772000000000 ] - [ -0.0000001500000000, -0.0000005700000000, -0.0001174500000000 ] - [ 0.0000304800000000, -0.0001534300000000, -0.0005005700000000 ] - [ -0.0000464000000000, -0.0004079000000000, 0.0010528100000000 ] - [ -0.0000010500000000, 0.0000061600000000, 0.0001044700000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0000808500000000 ] - [ -0.0000001700000000, -0.0000002900000000, -0.0001131500000000 ] - [ -0.0000002700000000, -0.0000001900000000, -0.0001885000000000 ] - [ 0.0000001800000000, -0.0000002500000000, 0.0000268700000000 ] - [ 0.0000002500000000, -0.0000003300000000, 0.0000988300000000 ] - [ 0.0000005200000000, -0.0000003200000000, 0.0000812200000000 ] - [ -0.0000004500000000, 0.0000000000000000, -0.0001124500000000 ] - [ 0.0000005200000000, -0.0000005500000000, -0.0001852100000000 ] - [ 0.0000001500000000, -0.0000002200000000, 0.0000274300000000 ] - [ 0.0000002300000000, -0.0000003800000000, 0.0001000200000000 ] - [ 0.0000006000000000, -0.0000033000000000, 0.0000235900000000 ] - [ 0.0000099200000000, 0.0000017300000000, -0.0001297400000000 ] - [ -0.0022567200000000, 0.0003080900000000, -0.0004299700000000 ] - [ -0.0028203700000000, 0.0010725500000000, 0.0020598200000000 ] - [ 0.0000553000000000, -0.0003538600000000, -0.0007577400000000 ] - [ -0.0000000200000000, -0.0000002800000000, 0.0000255400000000 ] - [ 0.0000004800000000, -0.0000004900000000, -0.0001489500000000 ] - [ 0.0000000700000000, -0.0000003400000000, -0.0000825600000000 ] - [ 0.0000004100000000, -0.0000005200000000, -0.0000319300000000 ] - [ 0.0000002700000000, -0.0000003700000000, -0.0003130300000000 ] - [ 0.0000003200000000, -0.0000005800000000, 0.0000257500000000 ] - [ 0.0000003400000000, -0.0000004100000000, -0.0001429800000000 ] - [ -0.0000001000000000, -0.0000003100000000, -0.0000776300000000 ] - [ 0.0000003000000000, -0.0000004700000000, -0.0000272900000000 ] - [ 0.0000000500000000, -0.0000002100000000, -0.0003156300000000 ] - [ 0.0000015800000000, 0.0000004400000000, -0.0000536100000000 ] - [ -0.0001019400000000, 0.0005144000000000, -0.0007869000000000 ] - [ 0.0009387400000000, -0.0021310200000000, -0.0008799700000000 ] - [ -0.0001924000000000, 0.0006361900000000, -0.0004674200000000 ] - [ -0.0000010200000000, 0.0000040200000000, -0.0000758200000000 ] - [ 0.0000006000000000, -0.0000005900000000, -0.0000443500000000 ] - [ -0.0000004400000000, -0.0000000500000000, -0.0002545000000000 ] - [ 0.0000028400000000, -0.0000017700000000, 0.0000177400000000 ] - [ 0.0000004300000000, -0.0000003800000000, -0.0002533800000000 ] - [ -0.0000004800000000, -0.0000000600000000, -0.0000697100000000 ] - [ 0.0000008800000000, -0.0000007400000000, -0.0000425300000000 ] - [ -0.0000005200000000, 0.0000000000000000, -0.0002523400000000 ] - [ 0.0000032100000000, -0.0000019700000000, 0.0000193300000000 ] - [ 0.0000002800000000, -0.0000003000000000, -0.0002555600000000 ] - [ -0.0000006200000000, 0.0000000100000000, -0.0000686500000000 ] - [ 0.0000001400000000, -0.0000003800000000, 0.0003944100000000 ] - [ -0.0000000200000000, -0.0000005100000000, -0.0005471700000000 ] - [ -0.0208298300000000, 0.0101665300000000, 0.0189322900000000 ] - [ -0.0000336600000000, -0.0000062600000000, -0.0005776700000000 ] - [ 0.0000102900000000, -0.0000598500000000, 0.0004367400000000 ] - [ -0.0000003700000000, -0.0000000100000000, 0.0004038100000000 ] - [ 0.0000010500000000, -0.0000009400000000, -0.0005354700000000 ] - [ 0.0000003300000000, -0.0000004800000000, 0.0002639500000000 ] - [ -0.0000003700000000, 0.0000000800000000, -0.0007373400000000 ] - [ -0.0000007500000000, 0.0000002600000000, 0.0002778900000000 ] - [ -0.0000008000000000, -0.0000002300000000, 0.0004049500000000 ] - [ 0.0000005200000000, -0.0000005800000000, -0.0005350500000000 ] - [ -0.0000002000000000, -0.0000002100000000, 0.0002705000000000 ] - [ -0.0000008200000000, 0.0000004300000000, -0.0007255400000000 ] - [ 0.0000000500000000, -0.0000002700000000, 0.0002826000000000 ] - [ -0.0001920800000000, 0.0001098200000000, 0.0001843900000000 ] - [ -0.0000007400000000, 0.0000438800000000, -0.0000002000000000 ] - [ 0.0001945600000000, 0.0001098700000000, 0.0001861700000000 ] - [ -0.0000385800000000, -0.0000218200000000, -0.0000010800000000 ] - [ 0.0000393000000000, -0.0000228700000000, 0.0000004700000000 ] - [ 0.0000012800000000, -0.0002230100000000, 0.0001848800000000 ] - [ -0.0001367500000000, 0.0000783300000000, 0.0000901500000000 ] - [ 0.0000037400000000, 0.0001307000000000, -0.0001706800000000 ] - [ 0.0001340400000000, 0.0000767400000000, 0.0000898200000000 ] - [ -0.0001154800000000, -0.0000689800000000, -0.0001846400000000 ] - [ 0.0001174400000000, -0.0000649000000000, -0.0001821500000000 ] - [ 0.0000000600000000, -0.0001546900000000, 0.0000898300000000 ] - [ -0.0006466700000000, 0.0002234800000000, -0.0003646600000000 ] - [ -0.0029146000000000, -0.0023906500000000, 0.0051687200000000 ] - [ 0.0004657300000000, 0.0001165400000000, -0.0001655800000000 ] - [ 0.0011309800000000, 0.0006090700000000, 0.0006852800000000 ] - [ 0.0000369100000000, -0.0003591900000000, -0.0002275500000000 ] - [ -0.0004291700000000, 0.0000059400000000, -0.0000683700000000 ] - [ -0.0013002900000000, -0.0042294100000000, 0.0057417400000000 ] - [ 0.0520503800000000, -0.0157442000000000, -0.0245198900000000 ] - [ -0.0226101400000000, -0.0018168900000000, -0.0033952400000000 ] - [ 0.0032938000000000, 0.0012601300000000, 0.0014865100000000 ] - [ -0.0002270400000000, 0.0000333800000000, -0.0004223800000000 ] - [ -0.0036005300000000, 0.0128160400000000, -0.0029195500000000 ] - [ -0.0002222500000000, -0.0000107600000000, 0.0001514500000000 ] - [ -0.0000020300000000, -0.0001162000000000, 0.0002518400000000 ] - [ 0.0001023700000000, 0.0000656000000000, 0.0002183400000000 ] - [ 0.0001620600000000, -0.0000527200000000, 0.0001257800000000 ] - [ -0.0001039800000000, 0.0000649400000000, 0.0002129400000000 ] - [ 0.0000323300000000, -0.0000297000000000, -0.0000103700000000 ] - [ -0.0001925800000000, 0.0001109200000000, 0.0001871300000000 ] - [ -0.0000007000000000, 0.0000461800000000, -0.0000047600000000 ] - [ 0.0001947100000000, 0.0001109500000000, 0.0001889000000000 ] - [ -0.0000405100000000, -0.0000230000000000, -0.0000056000000000 ] - [ 0.0000415600000000, -0.0000241900000000, -0.0000044300000000 ] - [ 0.0000010900000000, -0.0002242800000000, 0.0001890100000000 ] - [ -0.0001321200000000, 0.0000760400000000, 0.0000885200000000 ] - [ 0.0000005700000000, 0.0001141100000000, -0.0001854000000000 ] - [ 0.0001295500000000, 0.0000745200000000, 0.0000862000000000 ] - [ -0.0000985500000000, -0.0000578300000000, -0.0001859800000000 ] - [ 0.0001010200000000, -0.0000586200000000, -0.0001875700000000 ] - [ 0.0000000200000000, -0.0001499000000000, 0.0000870900000000 ] - [ -0.0001087500000000, 0.0000625500000000, -0.0000854500000000 ] - [ 0.0000001500000000, 0.0000599600000000, -0.0000477900000000 ] - [ 0.0001077800000000, 0.0000625600000000, -0.0000867500000000 ] - [ -0.0000520200000000, -0.0000305000000000, -0.0000476000000000 ] - [ -0.0000005400000000, -0.0001250300000000, -0.0000870200000000 ] - [ 0.0000480700000000, -0.0000279800000000, -0.0000455500000000 ] - [ -0.0000006800000000, -0.0000079300000000, 0.0002323400000000 ] - [ -0.0000459500000000, 0.0000262900000000, -0.0000263900000000 ] - [ 0.0000496800000000, 0.0000285100000000, -0.0000242400000000 ] - [ 0.0000059600000000, 0.0000040700000000, 0.0002324300000000 ] - [ -0.0000082800000000, 0.0000046100000000, 0.0002349000000000 ] - [ -0.0000000300000000, -0.0000576200000000, -0.0000248300000000 ] - [ 0.0000901600000000, -0.0000523900000000, 0.0001513300000000 ] - [ -0.0000001700000000, -0.0001388700000000, 0.0002150400000000 ] - [ 0.0001197300000000, 0.0000692200000000, 0.0002154300000000 ] - [ -0.0000870200000000, -0.0000512800000000, 0.0001534200000000 ] - [ -0.0001207400000000, 0.0000696100000000, 0.0002164400000000 ] - [ 0.0000006100000000, 0.0001009200000000, 0.0001539400000000 ] - [ -0.0001907200000000, 0.0001098300000000, 0.0001835800000000 ] - [ -0.0000010100000000, 0.0000463600000000, -0.0000039000000000 ] - [ 0.0001927900000000, 0.0001098900000000, 0.0001852300000000 ] - [ -0.0000408300000000, -0.0000227900000000, -0.0000050700000000 ] - [ 0.0000414700000000, -0.0000241000000000, -0.0000041000000000 ] - [ 0.0000010400000000, -0.0002221000000000, 0.0001853600000000 ] - [ -0.0001316500000000, 0.0000757600000000, 0.0000882200000000 ] - [ 0.0000005100000000, 0.0001156900000000, -0.0001895600000000 ] - [ 0.0001294300000000, 0.0000743800000000, 0.0000860700000000 ] - [ -0.0001000100000000, -0.0000586100000000, -0.0001902000000000 ] - [ 0.0001026400000000, -0.0000595600000000, -0.0001918500000000 ] - [ 0.0000000600000000, -0.0001496800000000, 0.0000869100000000 ] - [ -0.0001069200000000, 0.0000614800000000, -0.0000910100000000 ] - [ 0.0000000900000000, 0.0000591800000000, -0.0000476300000000 ] - [ 0.0001062300000000, 0.0000615700000000, -0.0000921700000000 ] - [ -0.0000513700000000, -0.0000300600000000, -0.0000474000000000 ] - [ -0.0000004600000000, -0.0001230900000000, -0.0000924900000000 ] - [ 0.0000473300000000, -0.0000275300000000, -0.0000453000000000 ] - [ -0.0000006000000000, -0.0000088400000000, 0.0002342100000000 ] - [ -0.0000437200000000, 0.0000249900000000, -0.0000317600000000 ] - [ 0.0000474500000000, 0.0000272700000000, -0.0000295200000000 ] - [ 0.0000068100000000, 0.0000044600000000, 0.0002343600000000 ] - [ -0.0000087500000000, 0.0000048800000000, 0.0002364900000000 ] - [ -0.0000001000000000, -0.0000550600000000, -0.0000301300000000 ] - [ 0.0000924100000000, -0.0000537000000000, 0.0001483700000000 ] - [ -0.0000002500000000, -0.0001396000000000, 0.0002168600000000 ] - [ 0.0001203500000000, 0.0000696600000000, 0.0002172900000000 ] - [ -0.0000894100000000, -0.0000526600000000, 0.0001502800000000 ] - [ -0.0001217400000000, 0.0000701600000000, 0.0002185200000000 ] - [ 0.0000006000000000, 0.0001036700000000, 0.0001507800000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000700000000, -0.0000000400000000, -0.0003837100000000 ] - [ 0.0000020400000000, -0.0000011800000000, -0.0005896200000000 ] - [ 0.0001659700000000, -0.0000958200000000, -0.0004342100000000 ] - [ 0.0001749400000000, -0.0001010000000000, 0.0039283400000000 ] - [ -0.0000169200000000, 0.0000097700000000, -0.0003726100000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0003800800000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0005884700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0006518200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0004371000000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0003644400000000 ] - [ 0.0000004000000000, -0.0000002300000000, -0.0003802500000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0005871700000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006487300000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0004362600000000 ] - [ 0.0000001300000000, -0.0000000800000000, -0.0003631500000000 ] - [ 0.0000051100000000, -0.0000029500000000, -0.0010232700000000 ] - [ -0.0000718400000000, 0.0000414800000000, -0.0012038300000000 ] - [ -0.0007550300000000, 0.0004359200000000, 0.0069571500000000 ] - [ -0.0006052800000000, 0.0003494600000000, 0.0192366200000000 ] - [ 0.0004805300000000, -0.0002774400000000, -0.0013002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010223100000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0011946200000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0011245400000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0010285900000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0013486500000000 ] - [ 0.0000003400000000, -0.0000002000000000, -0.0010219500000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0011889100000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0011200500000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0010239800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0013511800000000 ] - [ -0.0000078400000000, 0.0000045300000000, -0.0004771700000000 ] - [ -0.0007691500000000, 0.0004440700000000, -0.0000120100000000 ] - [ 0.0025505900000000, -0.0014725900000000, 0.0068179500000000 ] - [ -0.0009459500000000, 0.0005461400000000, -0.0003561800000000 ] - [ -0.0000076200000000, 0.0000044000000000, -0.0005089800000000 ] - [ 0.0000005600000000, -0.0000003200000000, -0.0004831800000000 ] - [ -0.0000004700000000, 0.0000002700000000, -0.0006952200000000 ] - [ 0.0000027300000000, -0.0000015800000000, -0.0003470800000000 ] - [ 0.0000003700000000, -0.0000002100000000, -0.0006938400000000 ] - [ -0.0000004900000000, 0.0000002800000000, -0.0005093700000000 ] - [ 0.0000008300000000, -0.0000004800000000, -0.0004816000000000 ] - [ -0.0000005300000000, 0.0000003100000000, -0.0006931000000000 ] - [ 0.0000030900000000, -0.0000017800000000, -0.0003459100000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0006962000000000 ] - [ -0.0000005900000000, 0.0000003400000000, -0.0005082500000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0003987700000000 ] - [ 0.0000029900000000, -0.0000017300000000, -0.0014952800000000 ] - [ -0.0143389800000000, 0.0082786100000000, 0.0272482500000000 ] - [ 0.0002493200000000, -0.0001439500000000, -0.0016513700000000 ] - [ 0.0001473500000000, -0.0000850700000000, -0.0005562600000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0003899400000000 ] - [ 0.0000010800000000, -0.0000006200000000, -0.0014810500000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0005591200000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0015459800000000 ] - [ -0.0000007800000000, 0.0000004500000000, -0.0005223500000000 ] - [ 0.0000001800000000, -0.0000001100000000, -0.0003901000000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0014807200000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0005515900000000 ] - [ -0.0000009000000000, 0.0000005200000000, -0.0015344200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0005173200000000 ] - [ -0.0002738300000000, 0.0001581000000000, 0.0005984800000000 ] - [ -0.0000009900000000, -0.0000523700000000, 0.0004879100000000 ] - [ 0.0002757300000000, 0.0001563000000000, 0.0005969300000000 ] - [ 0.0000448600000000, 0.0000270400000000, 0.0004879100000000 ] - [ -0.0000440300000000, 0.0000254200000000, 0.0004882000000000 ] - [ 0.0000025000000000, -0.0003169400000000, 0.0005969300000000 ] - [ -0.0001619500000000, 0.0000935000000000, 0.0005891300000000 ] - [ -0.0000326400000000, 0.0000069300000000, 0.0002282400000000 ] - [ 0.0001611600000000, 0.0000917600000000, 0.0005760100000000 ] - [ -0.0000223200000000, 0.0000248000000000, 0.0002282400000000 ] - [ 0.0000340100000000, -0.0000196400000000, 0.0001636700000000 ] - [ 0.0000011200000000, -0.0001854500000000, 0.0005760100000000 ] - [ 0.0002942600000000, -0.0001698900000000, 0.0014311000000000 ] - [ -0.0053515800000000, -0.0035205000000000, 0.0027929800000000 ] - [ -0.0000043900000000, -0.0000751500000000, 0.0001628500000000 ] - [ 0.0003730500000000, 0.0063948500000000, 0.0027929800000000 ] - [ 0.0000628900000000, 0.0000413800000000, 0.0001628500000000 ] - [ -0.0004817800000000, 0.0002781600000000, -0.0034504200000000 ] - [ -0.0042576600000000, -0.0050053300000000, 0.0047652800000000 ] - [ 0.0244229500000000, -0.0141006000000000, -0.0525445600000000 ] - [ -0.0032970200000000, -0.0013453100000000, -0.0103619600000000 ] - [ 0.0022059100000000, 0.0061899100000000, 0.0047652800000000 ] - [ 0.0002170600000000, -0.0001253200000000, -0.0032108300000000 ] - [ -0.0004834400000000, 0.0035279600000000, -0.0103619600000000 ] - [ -0.0000939300000000, 0.0000542300000000, 0.0009711500000000 ] - [ -0.0000183300000000, -0.0001469000000000, 0.0007511900000000 ] - [ 0.0001180600000000, 0.0000893300000000, 0.0007511900000000 ] - [ 0.0000178800000000, -0.0001643200000000, 0.0004227900000000 ] - [ -0.0001283500000000, 0.0000741100000000, 0.0006820900000000 ] - [ 0.0001512400000000, 0.0000666800000000, 0.0004227900000000 ] - [ -0.0002754600000000, 0.0001590400000000, 0.0005992400000000 ] - [ -0.0000006500000000, -0.0000493100000000, 0.0004837500000000 ] - [ 0.0002774800000000, 0.0001590300000000, 0.0006006200000000 ] - [ 0.0000423800000000, 0.0000252100000000, 0.0004837500000000 ] - [ -0.0000413400000000, 0.0000238700000000, 0.0004844200000000 ] - [ 0.0000010100000000, -0.0003198200000000, 0.0006006200000000 ] - [ -0.0001616500000000, 0.0000933300000000, 0.0005743600000000 ] - [ 0.0000005700000000, 0.0000316000000000, 0.0002180700000000 ] - [ 0.0001589300000000, 0.0000917700000000, 0.0005723900000000 ] - [ -0.0000270800000000, -0.0000162900000000, 0.0002180700000000 ] - [ 0.0000294300000000, -0.0000169900000000, 0.0002161200000000 ] - [ -0.0000000100000000, -0.0001835200000000, 0.0005723900000000 ] - [ -0.0000996300000000, 0.0000575200000000, 0.0004383300000000 ] - [ 0.0000001000000000, 0.0000857900000000, 0.0003985400000000 ] - [ 0.0000985000000000, 0.0000575300000000, 0.0004368100000000 ] - [ -0.0000742500000000, -0.0000429800000000, 0.0003985400000000 ] - [ -0.0000005700000000, -0.0001140600000000, 0.0004368100000000 ] - [ 0.0000702200000000, -0.0000405400000000, 0.0004006500000000 ] - [ -0.0000007600000000, -0.0000105400000000, 0.0007262700000000 ] - [ -0.0000823700000000, 0.0000475600000000, 0.0004021600000000 ] - [ 0.0000858600000000, 0.0000496500000000, 0.0004039200000000 ] - [ 0.0000087500000000, 0.0000059300000000, 0.0007262700000000 ] - [ -0.0000108000000000, 0.0000062400000000, 0.0007282200000000 ] - [ -0.0000000700000000, -0.0000991800000000, 0.0004039200000000 ] - [ 0.0000179800000000, -0.0000103800000000, 0.0005540000000000 ] - [ -0.0000002700000000, -0.0001313100000000, 0.0007270900000000 ] - [ 0.0001135800000000, 0.0000658900000000, 0.0007270900000000 ] - [ -0.0000149900000000, -0.0000093200000000, 0.0005564900000000 ] - [ -0.0001145800000000, 0.0000661500000000, 0.0007283400000000 ] - [ 0.0000005800000000, 0.0000176400000000, 0.0005564900000000 ] - [ -0.0002743100000000, 0.0001583700000000, 0.0005961800000000 ] - [ -0.0000010600000000, -0.0000490700000000, 0.0004821500000000 ] - [ 0.0002762900000000, 0.0001583800000000, 0.0005979300000000 ] - [ 0.0000419600000000, 0.0000254600000000, 0.0004821500000000 ] - [ -0.0000414700000000, 0.0000239400000000, 0.0004820400000000 ] - [ 0.0000009900000000, -0.0003184600000000, 0.0005979300000000 ] - [ -0.0001635200000000, 0.0000944100000000, 0.0005770800000000 ] - [ 0.0000004900000000, 0.0000340600000000, 0.0002144600000000 ] - [ 0.0001613100000000, 0.0000931100000000, 0.0005755500000000 ] - [ -0.0000292500000000, -0.0000174500000000, 0.0002144600000000 ] - [ 0.0000321300000000, -0.0000185500000000, 0.0002128800000000 ] - [ 0.0000000200000000, -0.0001862500000000, 0.0005755500000000 ] - [ -0.0000977300000000, 0.0000564200000000, 0.0004315200000000 ] - [ 0.0000000300000000, 0.0000850800000000, 0.0003977600000000 ] - [ 0.0000968300000000, 0.0000564700000000, 0.0004302100000000 ] - [ -0.0000736600000000, -0.0000425700000000, 0.0003977600000000 ] - [ -0.0000004900000000, -0.0001120900000000, 0.0004302100000000 ] - [ 0.0000695100000000, -0.0000401300000000, 0.0003999300000000 ] - [ -0.0000007100000000, -0.0000115300000000, 0.0007291800000000 ] - [ -0.0000799000000000, 0.0000461300000000, 0.0003970000000000 ] - [ 0.0000835200000000, 0.0000483400000000, 0.0003988400000000 ] - [ 0.0000096300000000, 0.0000063800000000, 0.0007291800000000 ] - [ -0.0000113800000000, 0.0000065700000000, 0.0007312700000000 ] - [ -0.0000001000000000, -0.0000965000000000, 0.0003988400000000 ] - [ 0.0000208100000000, -0.0000120200000000, 0.0005509500000000 ] - [ -0.0000003300000000, -0.0001326700000000, 0.0007295500000000 ] - [ 0.0001147300000000, 0.0000666200000000, 0.0007295500000000 ] - [ -0.0000179200000000, -0.0000110800000000, 0.0005532200000000 ] - [ -0.0001162000000000, 0.0000670900000000, 0.0007310800000000 ] - [ 0.0000006400000000, 0.0000210600000000, 0.0005532200000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000007300000000, -0.0000004200000000, 0.0006160300000000 ] - [ -0.0000021600000000, 0.0000012500000000, 0.0004398000000000 ] - [ -0.0001647700000000, 0.0000951300000000, 0.0001472300000000 ] - [ -0.0002554900000000, 0.0001475100000000, -0.0039351800000000 ] - [ 0.0000170300000000, -0.0000098300000000, 0.0006472200000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0006202800000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0004438400000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0003538400000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0005725600000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0006419600000000 ] - [ 0.0000007300000000, -0.0000004200000000, 0.0006203700000000 ] - [ -0.0000003200000000, 0.0000001800000000, 0.0004447500000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0003569000000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0005739200000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0006434400000000 ] - [ -0.0000048100000000, 0.0000027700000000, 0.0012496700000000 ] - [ 0.0000709600000000, -0.0000409700000000, 0.0010980600000000 ] - [ 0.0008912400000000, -0.0005145600000000, -0.0066424900000000 ] - [ 0.0006057600000000, -0.0003497300000000, -0.0190831700000000 ] - [ -0.0004839200000000, 0.0002793900000000, 0.0008563100000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0012513100000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0010771400000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0011353900000000 ] - [ 0.0000003800000000, -0.0000002200000000, 0.0011374900000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0009068400000000 ] - [ 0.0000003200000000, -0.0000001800000000, 0.0012514500000000 ] - [ 0.0000001800000000, -0.0000001100000000, 0.0010836600000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0011398400000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0011419400000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0009047000000000 ] - [ 0.0000091600000000, -0.0000052900000000, 0.0004594800000000 ] - [ 0.0007599900000000, -0.0004387800000000, -0.0004074500000000 ] - [ -0.0026879400000000, 0.0015518800000000, -0.0065435600000000 ] - [ 0.0009546600000000, -0.0005511700000000, -0.0000745300000000 ] - [ 0.0000069600000000, -0.0000040200000000, 0.0004416600000000 ] - [ 0.0000006000000000, -0.0000003400000000, 0.0004677800000000 ] - [ -0.0000004400000000, 0.0000002600000000, 0.0002624500000000 ] - [ 0.0000027600000000, -0.0000016000000000, 0.0004457900000000 ] - [ 0.0000003700000000, -0.0000002100000000, 0.0002655000000000 ] - [ -0.0000005100000000, 0.0000002900000000, 0.0004466400000000 ] - [ 0.0000008200000000, -0.0000004700000000, 0.0004692400000000 ] - [ -0.0000005100000000, 0.0000002900000000, 0.0002645200000000 ] - [ 0.0000031100000000, -0.0000018000000000, 0.0004474500000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0002634300000000 ] - [ -0.0000006300000000, 0.0000003600000000, 0.0004474000000000 ] - [ 0.0000003400000000, -0.0000001900000000, 0.0013276300000000 ] - [ -0.0000021000000000, 0.0000012100000000, 0.0005569700000000 ] - [ 0.0152084800000000, -0.0087806200000000, -0.0270793700000000 ] - [ -0.0002456300000000, 0.0001418100000000, 0.0003351900000000 ] - [ -0.0001490400000000, 0.0000860500000000, 0.0012590100000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0013372200000000 ] - [ 0.0000011100000000, -0.0000006400000000, 0.0005682700000000 ] - [ 0.0000003400000000, -0.0000001900000000, 0.0012386000000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0002073600000000 ] - [ -0.0000007900000000, 0.0000004600000000, 0.0012170700000000 ] - [ -0.0000019100000000, 0.0000011100000000, 0.0013381500000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0005690400000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0012447600000000 ] - [ -0.0000008600000000, 0.0000005000000000, 0.0002187900000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0012217900000000 ] - [ -0.0001026800000000, 0.0000592800000000, -0.0002935700000000 ] - [ -0.0000005000000000, 0.0001579700000000, -0.0005684200000000 ] - [ 0.0001054800000000, 0.0000614100000000, -0.0002878700000000 ] - [ -0.0001370600000000, -0.0000785500000000, -0.0005684200000000 ] - [ 0.0001374600000000, -0.0000793600000000, -0.0005666400000000 ] - [ -0.0000004400000000, -0.0001220500000000, -0.0002878700000000 ] - [ -0.0000931300000000, 0.0000537700000000, -0.0004936500000000 ] - [ 0.0000330700000000, 0.0002347400000000, -0.0006743300000000 ] - [ 0.0000893000000000, 0.0000527300000000, -0.0004841000000000 ] - [ -0.0001867600000000, -0.0001460100000000, -0.0006743300000000 ] - [ 0.0001793000000000, -0.0001035200000000, -0.0006135200000000 ] - [ -0.0000010100000000, -0.0001037000000000, -0.0004841000000000 ] - [ -0.0005008200000000, 0.0002891500000000, -0.0016848500000000 ] - [ 0.0052548200000000, 0.0035807900000000, -0.0028960800000000 ] - [ 0.0002137500000000, 0.0001970300000000, -0.0004378000000000 ] - [ -0.0004736400000000, -0.0063412000000000, -0.0028960800000000 ] - [ -0.0000637600000000, -0.0002836300000000, -0.0004378000000000 ] - [ 0.0005697400000000, -0.0003289400000000, 0.0032486300000000 ] - [ 0.0043304100000000, 0.0050645200000000, -0.0044870500000000 ] - [ -0.0252391300000000, 0.0145718200000000, 0.0525953300000000 ] - [ 0.0033826000000000, 0.0014042700000000, 0.0102303300000000 ] - [ -0.0022207900000000, -0.0062825100000000, -0.0044870500000000 ] - [ -0.0002440400000000, 0.0001409000000000, 0.0036193200000000 ] - [ 0.0004751700000000, -0.0036315500000000, 0.0102303300000000 ] - [ 0.0002859400000000, -0.0001650900000000, -0.0007464900000000 ] - [ 0.0000177200000000, -0.0001271100000000, -0.0004068700000000 ] - [ 0.0001189400000000, 0.0000482000000000, -0.0004068700000000 ] - [ -0.0002038500000000, 0.0000569600000000, -0.0001880500000000 ] - [ -0.0001116500000000, 0.0000644600000000, -0.0003339300000000 ] - [ -0.0001512600000000, 0.0001480600000000, -0.0001880500000000 ] - [ -0.0001046000000000, 0.0000603900000000, -0.0002888900000000 ] - [ -0.0000006700000000, 0.0001601500000000, -0.0005730300000000 ] - [ 0.0001064800000000, 0.0000604000000000, -0.0002866400000000 ] - [ -0.0001390300000000, -0.0000795000000000, -0.0005730300000000 ] - [ 0.0001399000000000, -0.0000807700000000, -0.0005721600000000 ] - [ 0.0000009300000000, -0.0001224100000000, -0.0002866400000000 ] - [ -0.0000876300000000, 0.0000505900000000, -0.0004897200000000 ] - [ 0.0000005000000000, 0.0002049200000000, -0.0006566400000000 ] - [ 0.0000850600000000, 0.0000491200000000, -0.0004916000000000 ] - [ -0.0001772100000000, -0.0001028900000000, -0.0006566400000000 ] - [ 0.0001794500000000, -0.0001036100000000, -0.0006584300000000 ] - [ -0.0000000100000000, -0.0000982200000000, -0.0004916000000000 ] - [ -0.0001156900000000, 0.0000667900000000, -0.0006984900000000 ] - [ 0.0000001300000000, 0.0000304900000000, -0.0005629700000000 ] - [ 0.0001146500000000, 0.0000669100000000, -0.0006996300000000 ] - [ -0.0000263400000000, -0.0000153600000000, -0.0005629700000000 ] - [ -0.0000006200000000, -0.0001327400000000, -0.0006996300000000 ] - [ 0.0000222400000000, -0.0000128400000000, -0.0005607900000000 ] - [ -0.0000007700000000, 0.0000031800000000, -0.0003600400000000 ] - [ -0.0000054900000000, 0.0000031700000000, -0.0005287000000000 ] - [ 0.0000090200000000, 0.0000053300000000, -0.0005269200000000 ] - [ -0.0000031400000000, -0.0000009200000000, -0.0003600400000000 ] - [ 0.0000009200000000, -0.0000005300000000, -0.0003572100000000 ] - [ -0.0000001100000000, -0.0000104700000000, -0.0005269200000000 ] - [ 0.0001696700000000, -0.0000979600000000, -0.0003204700000000 ] - [ -0.0000002400000000, -0.0001412800000000, -0.0003894500000000 ] - [ 0.0001222300000000, 0.0000708500000000, -0.0003894500000000 ] - [ -0.0001668300000000, -0.0000970100000000, -0.0003182000000000 ] - [ -0.0001232800000000, 0.0000711800000000, -0.0003882100000000 ] - [ 0.0000006000000000, 0.0001929800000000, -0.0003182000000000 ] - [ -0.0001024600000000, 0.0000591600000000, -0.0002921000000000 ] - [ -0.0000006200000000, 0.0001611800000000, -0.0005735000000000 ] - [ 0.0001043800000000, 0.0000591900000000, -0.0002904400000000 ] - [ -0.0001398900000000, -0.0000800500000000, -0.0005735000000000 ] - [ 0.0001408600000000, -0.0000813300000000, -0.0005718700000000 ] - [ 0.0000009300000000, -0.0001200000000000, -0.0002904400000000 ] - [ -0.0000870700000000, 0.0000502700000000, -0.0004905100000000 ] - [ 0.0000004800000000, 0.0002080500000000, -0.0006624900000000 ] - [ 0.0000848400000000, 0.0000489600000000, -0.0004920400000000 ] - [ -0.0001799400000000, -0.0001044400000000, -0.0006624900000000 ] - [ 0.0001823800000000, -0.0001053000000000, -0.0006644200000000 ] - [ 0.0000000200000000, -0.0000979500000000, -0.0004920400000000 ] - [ -0.0001150100000000, 0.0000664000000000, -0.0007027500000000 ] - [ 0.0000000600000000, 0.0000296100000000, -0.0005623200000000 ] - [ 0.0001141900000000, 0.0000665400000000, -0.0007040300000000 ] - [ -0.0000256200000000, -0.0000148600000000, -0.0005623200000000 ] - [ -0.0000005300000000, -0.0001321600000000, -0.0007040300000000 ] - [ 0.0000213700000000, -0.0000123400000000, -0.0005602200000000 ] - [ -0.0000007100000000, 0.0000029600000000, -0.0003587500000000 ] - [ -0.0000038800000000, 0.0000022400000000, -0.0005334300000000 ] - [ 0.0000076000000000, 0.0000045800000000, -0.0005314700000000 ] - [ -0.0000029200000000, -0.0000008700000000, -0.0003587500000000 ] - [ 0.0000009900000000, -0.0000005700000000, -0.0003565800000000 ] - [ -0.0000001600000000, -0.0000088700000000, -0.0005314700000000 ] - [ 0.0001714900000000, -0.0000990100000000, -0.0003231300000000 ] - [ -0.0000003300000000, -0.0001418100000000, -0.0003877000000000 ] - [ 0.0001226500000000, 0.0000711900000000, -0.0003877000000000 ] - [ -0.0001687500000000, -0.0000981400000000, -0.0003207800000000 ] - [ -0.0001241400000000, 0.0000716700000000, -0.0003861900000000 ] - [ 0.0000006200000000, 0.0001952100000000, -0.0003207800000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000010000000000, -0.0000004900000000, 0.0001951700000000 ] - [ -0.0000001500000000, 0.0000000400000000, 0.0000067000000000 ] - [ -0.0000004200000000, 0.0000012000000000, -0.0000650100000000 ] - [ 0.0012104500000000, -0.0001701700000000, 0.0000675800000000 ] - [ 0.0003113000000000, 0.0002883800000000, -0.0006280800000000 ] - [ 0.0000000700000000, 0.0000001300000000, 0.0001995000000000 ] - [ -0.0000003700000000, 0.0000003800000000, 0.0000094500000000 ] - [ -0.0000002100000000, 0.0000002800000000, -0.0000696300000000 ] - [ -0.0000001800000000, 0.0000000200000000, 0.0001471400000000 ] - [ -0.0000001900000000, -0.0000000200000000, 0.0002181500000000 ] - [ 0.0000017500000000, -0.0000055200000000, 0.0001901300000000 ] - [ -0.0000007400000000, 0.0000013100000000, 0.0000108700000000 ] - [ 0.0000001400000000, -0.0000000700000000, -0.0000665300000000 ] - [ -0.0000002200000000, 0.0000000300000000, 0.0001480100000000 ] - [ -0.0000000300000000, -0.0000000800000000, 0.0002195300000000 ] - [ -0.0000864300000000, 0.0004083000000000, 0.0007864100000000 ] - [ -0.0000000200000000, -0.0000001000000000, 0.0001250700000000 ] - [ 0.0000036000000000, -0.0000131800000000, 0.0001819600000000 ] - [ -0.0000433900000000, 0.0002302200000000, 0.0004447300000000 ] - [ 0.0026577600000000, -0.0017696600000000, -0.0031253600000000 ] - [ -0.0000002700000000, 0.0000000700000000, 0.0002949900000000 ] - [ 0.0000003600000000, -0.0000001700000000, 0.0001196200000000 ] - [ -0.0000001600000000, 0.0000000000000000, 0.0001855000000000 ] - [ 0.0000001800000000, -0.0000002000000000, 0.0002256600000000 ] - [ 0.0000000800000000, -0.0000000200000000, -0.0000449100000000 ] - [ 0.0000000600000000, -0.0000002000000000, 0.0002953100000000 ] - [ 0.0000001400000000, -0.0000002000000000, 0.0001261100000000 ] - [ -0.0000003800000000, 0.0000001100000000, 0.0001900400000000 ] - [ 0.0000000800000000, -0.0000001000000000, 0.0002302400000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0000473200000000 ] - [ 0.0000005700000000, -0.0000003400000000, 0.0000664600000000 ] - [ -0.0000002100000000, -0.0000034000000000, -0.0001358400000000 ] - [ -0.0000042200000000, 0.0000257500000000, 0.0000667600000000 ] - [ 0.0011799600000000, 0.0009917400000000, -0.0011303300000000 ] - [ 0.0002360300000000, -0.0006731300000000, 0.0002968500000000 ] - [ 0.0000003900000000, -0.0000002200000000, 0.0000677300000000 ] - [ -0.0000006600000000, 0.0000003000000000, -0.0001410100000000 ] - [ 0.0000026300000000, -0.0000014300000000, 0.0001121900000000 ] - [ 0.0000002500000000, -0.0000000400000000, -0.0001389700000000 ] - [ -0.0000006800000000, 0.0000002800000000, 0.0000441000000000 ] - [ 0.0000005500000000, -0.0000000400000000, 0.0000690300000000 ] - [ -0.0000007500000000, 0.0000003500000000, -0.0001387900000000 ] - [ 0.0000029700000000, -0.0000016300000000, 0.0001139400000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0001412500000000 ] - [ -0.0000008300000000, 0.0000003600000000, 0.0000450600000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0005992800000000 ] - [ 0.0000000500000000, -0.0000000500000000, -0.0003054500000000 ] - [ 0.0001919400000000, -0.0009883100000000, 0.0007808800000000 ] - [ -0.0000000200000000, 0.0000005200000000, -0.0005173100000000 ] - [ 0.0237994400000000, -0.0122759400000000, -0.0201468400000000 ] - [ -0.0000004600000000, 0.0000002400000000, 0.0006088900000000 ] - [ 0.0000008200000000, -0.0000004300000000, -0.0002923000000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0004771600000000 ] - [ -0.0000005400000000, 0.0000003300000000, -0.0005291100000000 ] - [ -0.0000010200000000, 0.0000005900000000, 0.0004844500000000 ] - [ -0.0000170500000000, 0.0000650600000000, 0.0004479900000000 ] - [ 0.0000024500000000, -0.0000094200000000, -0.0002845200000000 ] - [ -0.0000002300000000, 0.0000001400000000, 0.0004844600000000 ] - [ -0.0000009800000000, 0.0000005900000000, -0.0005171300000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0004891900000000 ] - [ 0.0001647400000000, 0.0000452500000000, 0.0000702300000000 ] - [ -0.0000010100000000, 0.0000684600000000, -0.0001232500000000 ] - [ -0.0000899200000000, 0.0001007400000000, 0.0001200100000000 ] - [ -0.0000597700000000, -0.0000335700000000, -0.0001240600000000 ] - [ 0.0000603900000000, -0.0000344900000000, -0.0001223300000000 ] - [ -0.0000379500000000, -0.0000607100000000, 0.0002604800000000 ] - [ -0.0001230300000000, 0.0000710300000000, -0.0000370800000000 ] - [ 0.0000002400000000, 0.0001366200000000, -0.0002947000000000 ] - [ 0.0001204000000000, 0.0000696200000000, -0.0000391700000000 ] - [ -0.0001179300000000, -0.0000684900000000, -0.0002951200000000 ] - [ 0.0001197300000000, -0.0000692900000000, -0.0002965900000000 ] - [ -0.0000001000000000, -0.0001391000000000, -0.0000383200000000 ] - [ -0.0001082400000000, 0.0000632400000000, -0.0002224200000000 ] - [ 0.0000026500000000, 0.0000379400000000, -0.0001931500000000 ] - [ 0.0001065800000000, 0.0000632000000000, -0.0002233000000000 ] - [ -0.0000352000000000, -0.0000265500000000, -0.0001642000000000 ] - [ -0.0000008400000000, -0.0001241100000000, -0.0002216600000000 ] - [ 0.0000326300000000, -0.0000229800000000, -0.0001550300000000 ] - [ 0.0019053000000000, 0.0021336000000000, -0.0038907100000000 ] - [ 0.0002772200000000, -0.0000217300000000, -0.0002536900000000 ] - [ -0.0002111600000000, 0.0000178100000000, -0.0001705600000000 ] - [ -0.0010098500000000, -0.0003661200000000, 0.0000433300000000 ] - [ 0.0004012100000000, 0.0000175300000000, 0.0005543800000000 ] - [ -0.0000271800000000, 0.0000840000000000, -0.0000215200000000 ] - [ -0.0562246800000000, 0.0200907800000000, 0.0276733900000000 ] - [ 0.0016851900000000, 0.0044513700000000, -0.0059494300000000 ] - [ -0.0033753900000000, -0.0014234600000000, -0.0013497600000000 ] - [ 0.0232763700000000, 0.0019773100000000, 0.0038538000000000 ] - [ 0.0000590600000000, 0.0000923500000000, 0.0009771900000000 ] - [ 0.0037736600000000, -0.0132310800000000, 0.0032598400000000 ] - [ -0.0001735900000000, 0.0001001900000000, 0.0000848000000000 ] - [ -0.0000009000000000, 0.0000715100000000, -0.0001280500000000 ] - [ 0.0001752100000000, 0.0001002100000000, 0.0000865200000000 ] - [ -0.0000623500000000, -0.0000351500000000, -0.0001289200000000 ] - [ 0.0000629900000000, -0.0000363600000000, -0.0001277200000000 ] - [ 0.0000008400000000, -0.0002017500000000, 0.0000866300000000 ] - [ -0.0001209600000000, 0.0000698300000000, -0.0000415200000000 ] - [ 0.0000003000000000, 0.0001349000000000, -0.0002912800000000 ] - [ 0.0001180100000000, 0.0000683000000000, -0.0000437900000000 ] - [ -0.0001164600000000, -0.0000676500000000, -0.0002918400000000 ] - [ 0.0001186100000000, -0.0000685500000000, -0.0002935500000000 ] - [ -0.0000001600000000, -0.0001363900000000, -0.0000429800000000 ] - [ -0.0001114400000000, 0.0000643300000000, -0.0002173500000000 ] - [ -0.0000000500000000, 0.0000535300000000, -0.0001593200000000 ] - [ 0.0001098900000000, 0.0000642500000000, -0.0002185900000000 ] - [ -0.0000463900000000, -0.0000267800000000, -0.0001592000000000 ] - [ -0.0000007300000000, -0.0001273500000000, -0.0002189200000000 ] - [ 0.0000420200000000, -0.0000242400000000, -0.0001570900000000 ] - [ -0.0000009000000000, -0.0000049600000000, 0.0000997000000000 ] - [ -0.0000366400000000, 0.0000211500000000, -0.0001373100000000 ] - [ 0.0000398500000000, 0.0000233100000000, -0.0001352300000000 ] - [ 0.0000035500000000, 0.0000031300000000, 0.0000999100000000 ] - [ -0.0000061700000000, 0.0000035800000000, 0.0001021400000000 ] - [ -0.0000002300000000, -0.0000462400000000, -0.0001358000000000 ] - [ 0.0001071900000000, -0.0000619900000000, 0.0000463000000000 ] - [ -0.0000003900000000, -0.0001389800000000, 0.0000827400000000 ] - [ 0.0001199400000000, 0.0000698000000000, 0.0000831700000000 ] - [ -0.0001047000000000, -0.0000609800000000, 0.0000482500000000 ] - [ -0.0001214100000000, 0.0000702100000000, 0.0000842100000000 ] - [ 0.0000003800000000, 0.0001213100000000, 0.0000487900000000 ] - [ -0.0001714300000000, 0.0000989500000000, 0.0000817700000000 ] - [ 0.0000011900000000, 0.0000522500000000, -0.0001671200000000 ] - [ 0.0001731300000000, 0.0000990200000000, 0.0000834000000000 ] - [ -0.0000424400000000, -0.0000298500000000, -0.0001306900000000 ] - [ 0.0000424100000000, -0.0000289900000000, -0.0001185900000000 ] - [ 0.0000008100000000, -0.0001993200000000, 0.0000835000000000 ] - [ -0.0001191400000000, 0.0000698100000000, -0.0000423600000000 ] - [ 0.0000002600000000, 0.0001373600000000, -0.0002960600000000 ] - [ 0.0001167300000000, 0.0000688400000000, -0.0000436300000000 ] - [ -0.0001185100000000, -0.0000688700000000, -0.0002964700000000 ] - [ 0.0001207600000000, -0.0000698700000000, -0.0002982200000000 ] - [ -0.0000004000000000, -0.0001363400000000, -0.0000408800000000 ] - [ -0.0001100100000000, 0.0000635200000000, -0.0002229200000000 ] - [ -0.0000001200000000, 0.0000526400000000, -0.0001592800000000 ] - [ 0.0001088000000000, 0.0000635600000000, -0.0002239500000000 ] - [ -0.0000456700000000, -0.0000263000000000, -0.0001591500000000 ] - [ -0.0000006500000000, -0.0001260200000000, -0.0002242800000000 ] - [ 0.0000413700000000, -0.0000234400000000, -0.0001572400000000 ] - [ -0.0000008300000000, -0.0000060800000000, 0.0001016500000000 ] - [ -0.0000341400000000, 0.0000197000000000, -0.0001425500000000 ] - [ 0.0000374400000000, 0.0000219600000000, -0.0001403100000000 ] - [ 0.0000045800000000, 0.0000036500000000, 0.0001018900000000 ] - [ -0.0000069800000000, 0.0000040000000000, 0.0001039400000000 ] - [ -0.0000003000000000, -0.0000434500000000, -0.0001409100000000 ] - [ 0.0001096400000000, -0.0000634100000000, 0.0000430700000000 ] - [ -0.0000004700000000, -0.0001401300000000, 0.0000849000000000 ] - [ 0.0001209400000000, 0.0000704600000000, 0.0000853900000000 ] - [ -0.0001071800000000, -0.0000624400000000, 0.0000449800000000 ] - [ -0.0001228200000000, 0.0000709900000000, 0.0000866700000000 ] - [ 0.0000003900000000, 0.0001241800000000, 0.0000455200000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004100000000, -0.0000000600000000, 0.0000389600000000 ] - [ -0.0000003400000000, 0.0000001800000000, -0.0001545000000000 ] - [ 0.0000001500000000, -0.0000011400000000, -0.0002243600000000 ] - [ -0.0011725100000000, 0.0001533200000000, 0.0001222500000000 ] - [ -0.0003493800000000, -0.0002736100000000, 0.0008617800000000 ] - [ 0.0000003500000000, -0.0000001500000000, 0.0000425000000000 ] - [ -0.0000004000000000, 0.0000000200000000, -0.0001519400000000 ] - [ -0.0000002200000000, -0.0000001000000000, -0.0002267000000000 ] - [ -0.0000002600000000, 0.0000001800000000, -0.0000117000000000 ] - [ 0.0000002300000000, -0.0000001000000000, 0.0000601000000000 ] - [ -0.0000009500000000, 0.0000051900000000, 0.0000521300000000 ] - [ -0.0000001900000000, -0.0000008200000000, -0.0001513800000000 ] - [ -0.0000001800000000, 0.0000000500000000, -0.0002235300000000 ] - [ 0.0000001600000000, -0.0000000500000000, -0.0000110800000000 ] - [ -0.0000001100000000, 0.0000000900000000, 0.0000613100000000 ] - [ 0.0000898900000000, -0.0004063300000000, -0.0005578900000000 ] - [ -0.0000001900000000, 0.0000002100000000, -0.0002292800000000 ] - [ -0.0000032700000000, 0.0000129300000000, -0.0001500100000000 ] - [ 0.0000401700000000, -0.0002314800000000, -0.0003302200000000 ] - [ -0.0026435600000000, 0.0018108600000000, 0.0026886600000000 ] - [ -0.0000002200000000, 0.0000000100000000, -0.0000615100000000 ] - [ 0.0000001000000000, -0.0000001500000000, -0.0002351400000000 ] - [ -0.0000000600000000, -0.0000000800000000, -0.0001685000000000 ] - [ 0.0000002600000000, -0.0000001800000000, -0.0001154000000000 ] - [ 0.0000000300000000, -0.0000000900000000, -0.0003999800000000 ] - [ 0.0000001700000000, -0.0000001800000000, -0.0000614300000000 ] - [ -0.0000000300000000, 0.0000001200000000, -0.0002287300000000 ] - [ -0.0000002100000000, -0.0000000400000000, -0.0001636900000000 ] - [ 0.0000001500000000, -0.0000001600000000, -0.0001106900000000 ] - [ -0.0000002000000000, 0.0000000400000000, -0.0004024200000000 ] - [ 0.0000005700000000, -0.0000003800000000, -0.0000825600000000 ] - [ -0.0000016800000000, 0.0000043400000000, -0.0002929100000000 ] - [ 0.0000093800000000, -0.0000290100000000, 0.0000394400000000 ] - [ -0.0014754200000000, -0.0008363200000000, 0.0009364400000000 ] - [ -0.0002427400000000, 0.0006703700000000, -0.0003646600000000 ] - [ 0.0000003900000000, -0.0000002900000000, -0.0000812900000000 ] - [ -0.0000006400000000, 0.0000002400000000, -0.0002906600000000 ] - [ 0.0000026200000000, -0.0000014700000000, -0.0000123900000000 ] - [ 0.0000002300000000, -0.0000000900000000, -0.0002906200000000 ] - [ -0.0000006800000000, 0.0000002300000000, -0.0001058400000000 ] - [ 0.0000007600000000, -0.0000007900000000, -0.0000790400000000 ] - [ -0.0000007300000000, 0.0000003000000000, -0.0002885300000000 ] - [ 0.0000029800000000, -0.0000016800000000, -0.0000109000000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0002927600000000 ] - [ -0.0000008000000000, 0.0000002900000000, -0.0001047800000000 ] - [ 0.0000000100000000, 0.0000000700000000, 0.0003269500000000 ] - [ 0.0000004600000000, -0.0000003600000000, -0.0006255700000000 ] - [ -0.0001799200000000, 0.0009936300000000, -0.0001085600000000 ] - [ 0.0000001000000000, -0.0000005600000000, -0.0007894000000000 ] - [ -0.0227441100000000, 0.0114928500000000, 0.0197561100000000 ] - [ -0.0000005100000000, 0.0000003300000000, 0.0003361900000000 ] - [ 0.0000009300000000, -0.0000006800000000, -0.0006123500000000 ] - [ 0.0000000800000000, -0.0000001500000000, 0.0001937100000000 ] - [ -0.0000006100000000, 0.0000003100000000, -0.0008026600000000 ] - [ -0.0000009400000000, 0.0000003600000000, 0.0002118200000000 ] - [ 0.0000158100000000, -0.0000633900000000, 0.0004985900000000 ] - [ -0.0000017000000000, 0.0000087500000000, -0.0006198900000000 ] - [ -0.0000003800000000, 0.0000002800000000, 0.0002000600000000 ] - [ -0.0000011700000000, 0.0000006400000000, -0.0007905600000000 ] - [ -0.0000002800000000, -0.0000000900000000, 0.0002164600000000 ] - [ -0.0005349500000000, 0.0001698400000000, 0.0002361800000000 ] - [ -0.0000009900000000, 0.0000355500000000, 0.0000425400000000 ] - [ 0.0004637000000000, 0.0001131800000000, 0.0001874200000000 ] - [ -0.0000313300000000, -0.0000172100000000, 0.0000417000000000 ] - [ 0.0000316200000000, -0.0000183000000000, 0.0000431900000000 ] - [ 0.0000407100000000, -0.0003708000000000, 0.0000498400000000 ] - [ -0.0001338800000000, 0.0000772700000000, 0.0001275600000000 ] - [ 0.0000002700000000, 0.0001126400000000, -0.0001619800000000 ] - [ 0.0001312000000000, 0.0000758100000000, 0.0001253900000000 ] - [ -0.0000973700000000, -0.0000565400000000, -0.0001627300000000 ] - [ 0.0000992400000000, -0.0000573200000000, -0.0001642100000000 ] - [ -0.0000000900000000, -0.0001516800000000, 0.0001262500000000 ] - [ -0.0001107500000000, 0.0000631200000000, -0.0000417400000000 ] - [ -0.0000028000000000, 0.0000782800000000, 0.0000218600000000 ] - [ 0.0001091900000000, 0.0000629000000000, -0.0000438000000000 ] - [ -0.0000651000000000, -0.0000313200000000, -0.0000073500000000 ] - [ -0.0000005800000000, -0.0001259100000000, -0.0000460000000000 ] - [ 0.0000593800000000, -0.0000300400000000, -0.0000119100000000 ] - [ -0.0018962200000000, -0.0021655600000000, 0.0043052300000000 ] - [ -0.0003620000000000, 0.0000684700000000, 0.0001208100000000 ] - [ 0.0003026800000000, 0.0000355100000000, 0.0000455700000000 ] - [ 0.0010181800000000, 0.0003436700000000, 0.0002865600000000 ] - [ -0.0004243200000000, 0.0000022200000000, -0.0001667400000000 ] - [ 0.0000251900000000, -0.0001884500000000, -0.0001079000000000 ] - [ 0.0556828800000000, -0.0196402400000000, -0.0266208800000000 ] - [ -0.0017067000000000, -0.0046948300000000, 0.0062382500000000 ] - [ 0.0036187900000000, 0.0015905500000000, 0.0017311300000000 ] - [ -0.0234374300000000, -0.0020774300000000, -0.0036133800000000 ] - [ -0.0003321700000000, 0.0000534500000000, -0.0006199500000000 ] - [ -0.0037795500000000, 0.0134302200000000, -0.0030207300000000 ] - [ -0.0001997500000000, 0.0001152500000000, 0.0002256500000000 ] - [ -0.0000009000000000, 0.0000379200000000, 0.0000383400000000 ] - [ 0.0002013900000000, 0.0001152600000000, 0.0002273000000000 ] - [ -0.0000333000000000, -0.0000184700000000, 0.0000374500000000 ] - [ 0.0000339100000000, -0.0000196400000000, 0.0000386900000000 ] - [ 0.0000008600000000, -0.0002320000000000, 0.0002274500000000 ] - [ -0.0001321100000000, 0.0000762500000000, 0.0001236400000000 ] - [ 0.0000003600000000, 0.0001100200000000, -0.0001578700000000 ] - [ 0.0001291500000000, 0.0000747400000000, 0.0001212900000000 ] - [ -0.0000949600000000, -0.0000553600000000, -0.0001585000000000 ] - [ 0.0000970900000000, -0.0000561900000000, -0.0001601400000000 ] - [ -0.0000001700000000, -0.0001493900000000, 0.0001221500000000 ] - [ -0.0001098900000000, 0.0000633700000000, -0.0000378800000000 ] - [ -0.0000000500000000, 0.0000622700000000, -0.0000073200000000 ] - [ 0.0001084200000000, 0.0000633700000000, -0.0000392300000000 ] - [ -0.0000539800000000, -0.0000312300000000, -0.0000071600000000 ] - [ -0.0000007700000000, -0.0001257000000000, -0.0000395300000000 ] - [ 0.0000496400000000, -0.0000286900000000, -0.0000051000000000 ] - [ -0.0000009000000000, -0.0000099600000000, 0.0002723100000000 ] - [ -0.0000479300000000, 0.0000276400000000, 0.0000088400000000 ] - [ 0.0000513700000000, 0.0000299100000000, 0.0000111400000000 ] - [ 0.0000078500000000, 0.0000055900000000, 0.0002725100000000 ] - [ -0.0000105000000000, 0.0000060600000000, 0.0002748500000000 ] - [ -0.0000002200000000, -0.0000595000000000, 0.0000105400000000 ] - [ 0.0000853300000000, -0.0000494100000000, 0.0001804600000000 ] - [ -0.0000003500000000, -0.0001392300000000, 0.0002597200000000 ] - [ 0.0001201400000000, 0.0000698300000000, 0.0002601400000000 ] - [ -0.0000825900000000, -0.0000483200000000, 0.0001825800000000 ] - [ -0.0001215600000000, 0.0000702500000000, 0.0002611400000000 ] - [ 0.0000004300000000, 0.0000957800000000, 0.0001831300000000 ] - [ -0.0001977600000000, 0.0001140200000000, 0.0002220300000000 ] - [ -0.0000032100000000, 0.0000570200000000, 0.0000773600000000 ] - [ 0.0001993200000000, 0.0001140900000000, 0.0002236000000000 ] - [ -0.0000527100000000, -0.0000234000000000, 0.0000395800000000 ] - [ 0.0000544100000000, -0.0000270300000000, 0.0000297000000000 ] - [ 0.0000008100000000, -0.0002296200000000, 0.0002237400000000 ] - [ -0.0001343900000000, 0.0000765400000000, 0.0001248800000000 ] - [ 0.0000003200000000, 0.0001117000000000, -0.0001620600000000 ] - [ 0.0001316400000000, 0.0000747800000000, 0.0001221300000000 ] - [ -0.0000964900000000, -0.0000561300000000, -0.0001627700000000 ] - [ 0.0000988300000000, -0.0000571300000000, -0.0001645800000000 ] - [ 0.0000001400000000, -0.0001507100000000, 0.0001210400000000 ] - [ -0.0001078500000000, 0.0000622100000000, -0.0000436000000000 ] - [ -0.0000001100000000, 0.0000614700000000, -0.0000071400000000 ] - [ 0.0001066900000000, 0.0000622700000000, -0.0000449000000000 ] - [ -0.0000533200000000, -0.0000307700000000, -0.0000069300000000 ] - [ -0.0000006600000000, -0.0001236100000000, -0.0000451800000000 ] - [ 0.0000488600000000, -0.0000282400000000, -0.0000048100000000 ] - [ -0.0000008300000000, -0.0000105000000000, 0.0002738600000000 ] - [ -0.0000461400000000, 0.0000265800000000, 0.0000038800000000 ] - [ 0.0000495200000000, 0.0000288600000000, 0.0000060800000000 ] - [ 0.0000084500000000, 0.0000058500000000, 0.0002741600000000 ] - [ -0.0000106400000000, 0.0000061900000000, 0.0002761000000000 ] - [ -0.0000002800000000, -0.0000574000000000, 0.0000055200000000 ] - [ 0.0000872900000000, -0.0000505400000000, 0.0001779400000000 ] - [ -0.0000004600000000, -0.0001394300000000, 0.0002611600000000 ] - [ 0.0001203200000000, 0.0000700400000000, 0.0002616400000000 ] - [ -0.0000847300000000, -0.0000495600000000, 0.0001799500000000 ] - [ -0.0001221500000000, 0.0000705600000000, 0.0002629200000000 ] - [ 0.0000004300000000, 0.0000982400000000, 0.0001804800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000005500000000, -0.0000003100000000, -0.0003510100000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0005590100000000 ] - [ 0.0000017300000000, -0.0000010000000000, -0.0006158500000000 ] - [ -0.0003474000000000, 0.0002005700000000, 0.0034026100000000 ] - [ 0.0005847200000000, -0.0003375900000000, 0.0046098600000000 ] - [ 0.0000004000000000, -0.0000002300000000, -0.0003478000000000 ] - [ -0.0000001800000000, 0.0000001100000000, -0.0005565200000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0006201200000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0004043700000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0003322100000000 ] - [ -0.0000129600000000, 0.0000074800000000, -0.0003539800000000 ] - [ 0.0000013300000000, -0.0000007700000000, -0.0005551600000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0006169700000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0004037100000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0003313600000000 ] - [ 0.0005040200000000, -0.0002910000000000, -0.0008717700000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0011196400000000 ] - [ -0.0000312800000000, 0.0000180600000000, -0.0010602100000000 ] - [ 0.0002875900000000, -0.0001660400000000, -0.0008501300000000 ] - [ -0.0005336400000000, 0.0003081000000000, 0.0178343100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0009468800000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0011255300000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0010517500000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0009591400000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0012789900000000 ] - [ 0.0000003500000000, -0.0000002000000000, -0.0009461700000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0011193300000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0010466800000000 ] - [ 0.0000003300000000, -0.0000001900000000, -0.0009547000000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0012817300000000 ] - [ 0.0000007000000000, -0.0000004100000000, -0.0004543500000000 ] - [ -0.0000068100000000, 0.0000039300000000, -0.0006588300000000 ] - [ 0.0000616400000000, -0.0000355900000000, -0.0003554300000000 ] - [ 0.0010282000000000, -0.0005936300000000, 0.0075297800000000 ] - [ -0.0009116800000000, 0.0005263600000000, -0.0001813700000000 ] - [ 0.0000006000000000, -0.0000003400000000, -0.0004527700000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0006647500000000 ] - [ 0.0000027900000000, -0.0000016100000000, -0.0003222300000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0006646300000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0004786900000000 ] - [ 0.0000014400000000, -0.0000008300000000, -0.0004512500000000 ] - [ -0.0000004700000000, 0.0000002700000000, -0.0006625900000000 ] - [ 0.0000031500000000, -0.0000018200000000, -0.0003206100000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0006668500000000 ] - [ -0.0000005600000000, 0.0000003200000000, -0.0004775800000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0003472000000000 ] - [ 0.0000004400000000, -0.0000002600000000, -0.0014298600000000 ] - [ -0.0012789400000000, 0.0007384000000000, 0.0002983800000000 ] - [ 0.0000014200000000, -0.0000008200000000, -0.0014792500000000 ] - [ -0.0163130300000000, 0.0094183300000000, 0.0267238200000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0003375900000000 ] - [ 0.0000011200000000, -0.0000006400000000, -0.0014170600000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0005017700000000 ] - [ -0.0000003600000000, 0.0000002100000000, -0.0014904800000000 ] - [ -0.0000008100000000, 0.0000004700000000, -0.0004665800000000 ] - [ 0.0001455000000000, -0.0000840100000000, -0.0003855800000000 ] - [ -0.0000140600000000, 0.0000081200000000, -0.0014113000000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0004957100000000 ] - [ -0.0000009500000000, 0.0000005500000000, -0.0014787400000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0004621500000000 ] - [ -0.0003643300000000, 0.0002103500000000, 0.0009915400000000 ] - [ -0.0000006900000000, -0.0000458800000000, 0.0004510400000000 ] - [ 0.0002873600000000, 0.0000038600000000, 0.0004419600000000 ] - [ 0.0000393800000000, 0.0000235400000000, 0.0004510400000000 ] - [ -0.0000383700000000, 0.0000221500000000, 0.0004527100000000 ] - [ 0.0001403400000000, -0.0002507900000000, 0.0004419600000000 ] - [ -0.0001678200000000, 0.0000968900000000, 0.0005502900000000 ] - [ 0.0000003500000000, 0.0000408700000000, 0.0001859600000000 ] - [ 0.0001655400000000, 0.0000954500000000, 0.0005484300000000 ] - [ -0.0000352200000000, -0.0000207400000000, 0.0001859600000000 ] - [ 0.0000375300000000, -0.0000216700000000, 0.0001838500000000 ] - [ 0.0000001000000000, -0.0001910800000000, 0.0005484300000000 ] - [ -0.0000978000000000, 0.0000564700000000, 0.0004007200000000 ] - [ -0.0000159200000000, 0.0000695000000000, 0.0003747800000000 ] - [ 0.0000974700000000, 0.0000555900000000, 0.0003934100000000 ] - [ -0.0000681500000000, -0.0000209600000000, 0.0003747800000000 ] - [ 0.0000005900000000, -0.0001122000000000, 0.0003934100000000 ] - [ 0.0000532700000000, -0.0000307500000000, 0.0003244300000000 ] - [ -0.0041053800000000, -0.0030304000000000, 0.0033093500000000 ] - [ -0.0000836300000000, 0.0000482800000000, 0.0007965500000000 ] - [ 0.0000609600000000, -0.0001244500000000, 0.0002414600000000 ] - [ 0.0005717100000000, 0.0050705600000000, 0.0033093500000000 ] - [ -0.0000863800000000, 0.0000498700000000, -0.0024824700000000 ] - [ 0.0001382600000000, 0.0000094300000000, 0.0002414600000000 ] - [ 0.0269258000000000, -0.0155456200000000, -0.0512123000000000 ] - [ -0.0044624100000000, -0.0051244200000000, 0.0047092300000000 ] - [ 0.0022066700000000, 0.0064267700000000, 0.0047092300000000 ] - [ -0.0038231300000000, -0.0015245400000000, -0.0090314000000000 ] - [ 0.0000464600000000, -0.0000268300000000, -0.0032597100000000 ] - [ -0.0005912800000000, 0.0040732000000000, -0.0090314000000000 ] - [ -0.0002655200000000, 0.0001533000000000, 0.0005665300000000 ] - [ -0.0000006200000000, -0.0000431900000000, 0.0004459800000000 ] - [ 0.0002675900000000, 0.0001533300000000, 0.0005682700000000 ] - [ 0.0000371000000000, 0.0000221300000000, 0.0004459800000000 ] - [ -0.0000360900000000, 0.0000208400000000, 0.0004467800000000 ] - [ 0.0000010100000000, -0.0003084000000000, 0.0005682700000000 ] - [ -0.0001658700000000, 0.0000957700000000, 0.0005454200000000 ] - [ 0.0000005800000000, 0.0000391400000000, 0.0001890900000000 ] - [ 0.0001632600000000, 0.0000942000000000, 0.0005433800000000 ] - [ -0.0000336100000000, -0.0000200800000000, 0.0001890900000000 ] - [ 0.0000361700000000, -0.0000208800000000, 0.0001868000000000 ] - [ 0.0000000500000000, -0.0001884900000000, 0.0005433800000000 ] - [ -0.0001012100000000, 0.0000584300000000, 0.0004007000000000 ] - [ 0.0000001600000000, 0.0000844400000000, 0.0003674900000000 ] - [ 0.0001001600000000, 0.0000584400000000, 0.0003992300000000 ] - [ -0.0000730500000000, -0.0000423500000000, 0.0003674900000000 ] - [ -0.0000005300000000, -0.0001159600000000, 0.0003992300000000 ] - [ 0.0000691100000000, -0.0000399000000000, 0.0003698600000000 ] - [ -0.0000007300000000, -0.0000115200000000, 0.0006960900000000 ] - [ -0.0000812700000000, 0.0000469200000000, 0.0003735500000000 ] - [ 0.0000849000000000, 0.0000491200000000, 0.0003753200000000 ] - [ 0.0000096100000000, 0.0000063900000000, 0.0006960900000000 ] - [ -0.0000117400000000, 0.0000067800000000, 0.0006983800000000 ] - [ -0.0000000900000000, -0.0000980800000000, 0.0003753200000000 ] - [ 0.0000251900000000, -0.0000145400000000, 0.0005258400000000 ] - [ -0.0000002100000000, -0.0001338500000000, 0.0006933400000000 ] - [ 0.0001158200000000, 0.0000671100000000, 0.0006933400000000 ] - [ -0.0000222900000000, -0.0000136200000000, 0.0005281100000000 ] - [ -0.0001167700000000, 0.0000674200000000, 0.0006945400000000 ] - [ 0.0000006500000000, 0.0000261100000000, 0.0005281100000000 ] - [ -0.0002642000000000, 0.0001525300000000, 0.0005641600000000 ] - [ -0.0000174600000000, -0.0000662800000000, 0.0004673800000000 ] - [ 0.0002662700000000, 0.0001525800000000, 0.0005657400000000 ] - [ 0.0000486700000000, 0.0000482600000000, 0.0004673800000000 ] - [ -0.0000435600000000, 0.0000251500000000, 0.0003942700000000 ] - [ 0.0000010000000000, -0.0003068900000000, 0.0005657400000000 ] - [ -0.0001654800000000, 0.0000955400000000, 0.0005479500000000 ] - [ 0.0000004600000000, 0.0000409300000000, 0.0001841600000000 ] - [ 0.0001626600000000, 0.0000917700000000, 0.0005415300000000 ] - [ -0.0000352200000000, -0.0000208600000000, 0.0001841600000000 ] - [ 0.0000379500000000, -0.0000219100000000, 0.0001818400000000 ] - [ 0.0000018600000000, -0.0001867500000000, 0.0005415300000000 ] - [ -0.0000994300000000, 0.0000574100000000, 0.0003965700000000 ] - [ 0.0000000900000000, 0.0000834700000000, 0.0003690700000000 ] - [ 0.0000986400000000, 0.0000574700000000, 0.0003949900000000 ] - [ -0.0000722400000000, -0.0000418200000000, 0.0003690700000000 ] - [ -0.0000004500000000, -0.0001141600000000, 0.0003949900000000 ] - [ 0.0000681500000000, -0.0000393500000000, 0.0003714700000000 ] - [ -0.0000006200000000, -0.0000117900000000, 0.0006965900000000 ] - [ -0.0000791900000000, 0.0000457200000000, 0.0003683100000000 ] - [ 0.0000828200000000, 0.0000479600000000, 0.0003701300000000 ] - [ 0.0000099000000000, 0.0000064300000000, 0.0006965900000000 ] - [ -0.0000116600000000, 0.0000067300000000, 0.0006984600000000 ] - [ -0.0000001300000000, -0.0000957000000000, 0.0003701300000000 ] - [ 0.0000270400000000, -0.0000156100000000, 0.0005229900000000 ] - [ -0.0000003200000000, -0.0001340300000000, 0.0006949700000000 ] - [ 0.0001159200000000, 0.0000672900000000, 0.0006949700000000 ] - [ -0.0000241200000000, -0.0000147100000000, 0.0005252100000000 ] - [ -0.0001174400000000, 0.0000678000000000, 0.0006965500000000 ] - [ 0.0000006800000000, 0.0000282500000000, 0.0005252100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000011100000000, -0.0000006400000000, 0.0005850300000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0004078700000000 ] - [ -0.0000016000000000, 0.0000009200000000, 0.0003232300000000 ] - [ 0.0004249400000000, -0.0002453400000000, -0.0031106700000000 ] - [ -0.0006805500000000, 0.0003929200000000, -0.0045018500000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0005895300000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0004106900000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0003206900000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0005434700000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0006105900000000 ] - [ 0.0000141300000000, -0.0000081600000000, 0.0005962000000000 ] - [ -0.0000019500000000, 0.0000011200000000, 0.0004113600000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0003237100000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0005436900000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0006121000000000 ] - [ -0.0005078600000000, 0.0002932100000000, 0.0011027700000000 ] - [ 0.0000004100000000, -0.0000002400000000, 0.0010070600000000 ] - [ 0.0000314900000000, -0.0000181800000000, 0.0010877700000000 ] - [ -0.0002850900000000, 0.0001646000000000, 0.0009708600000000 ] - [ 0.0005354100000000, -0.0003091200000000, -0.0182498600000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0011839100000000 ] - [ 0.0000003700000000, -0.0000002100000000, 0.0010008800000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0010649700000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0010731600000000 ] - [ 0.0000002200000000, -0.0000001200000000, 0.0008366400000000 ] - [ 0.0000003200000000, -0.0000001900000000, 0.0011838000000000 ] - [ 0.0000006000000000, -0.0000003500000000, 0.0010076700000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0010697600000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0010777600000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0008342700000000 ] - [ 0.0000007600000000, -0.0000004400000000, 0.0004356400000000 ] - [ 0.0000053000000000, -0.0000030600000000, 0.0002295000000000 ] - [ -0.0000553100000000, 0.0000319300000000, 0.0004604900000000 ] - [ -0.0012220500000000, 0.0007055500000000, -0.0077775300000000 ] - [ 0.0009192000000000, -0.0005307000000000, 0.0001126000000000 ] - [ 0.0000005700000000, -0.0000003300000000, 0.0004368700000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0002321900000000 ] - [ 0.0000027100000000, -0.0000015600000000, 0.0004215800000000 ] - [ 0.0000003500000000, -0.0000002000000000, 0.0002377700000000 ] - [ -0.0000004800000000, 0.0000002800000000, 0.0004173500000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0004385300000000 ] - [ -0.0000005500000000, 0.0000003200000000, 0.0002347600000000 ] - [ 0.0000030600000000, -0.0000017700000000, 0.0004232400000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0002355800000000 ] - [ -0.0000005900000000, 0.0000003400000000, 0.0004181300000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0012757600000000 ] - [ 0.0000004400000000, -0.0000002500000000, 0.0004882400000000 ] - [ 0.0012667800000000, -0.0007313800000000, 0.0003953300000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0001653700000000 ] - [ 0.0171422200000000, -0.0098970700000000, -0.0264255800000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0012861200000000 ] - [ 0.0000010800000000, -0.0000006200000000, 0.0005028000000000 ] - [ 0.0000003500000000, -0.0000002000000000, 0.0011849000000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0001519900000000 ] - [ -0.0000007200000000, 0.0000004100000000, 0.0011629600000000 ] - [ -0.0001487500000000, 0.0000858800000000, 0.0013350700000000 ] - [ 0.0000154500000000, -0.0000089200000000, 0.0004964100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011914400000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0001637600000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0011676700000000 ] - [ -0.0000027400000000, 0.0000015800000000, -0.0006998200000000 ] - [ -0.0000007600000000, 0.0001508300000000, -0.0005384800000000 ] - [ 0.0000851400000000, 0.0002100400000000, -0.0001400200000000 ] - [ -0.0001310000000000, -0.0000747500000000, -0.0005384800000000 ] - [ 0.0001315900000000, -0.0000759700000000, -0.0005373400000000 ] - [ -0.0001393300000000, -0.0001787500000000, -0.0001400200000000 ] - [ -0.0000951900000000, 0.0000549600000000, -0.0004457400000000 ] - [ 0.0000006000000000, 0.0002075800000000, -0.0006345200000000 ] - [ 0.0000928800000000, 0.0000536100000000, -0.0004476000000000 ] - [ -0.0001794700000000, -0.0001043100000000, -0.0006345200000000 ] - [ 0.0001814500000000, -0.0001047600000000, -0.0006358500000000 ] - [ 0.0000000100000000, -0.0001072400000000, -0.0004476000000000 ] - [ -0.0001216000000000, 0.0000702000000000, -0.0006653900000000 ] - [ 0.0000162600000000, 0.0000472500000000, -0.0005445300000000 ] - [ 0.0001195100000000, 0.0000709200000000, -0.0006614700000000 ] - [ -0.0000327900000000, -0.0000377000000000, -0.0005445300000000 ] - [ -0.0000016700000000, -0.0001389600000000, -0.0006614700000000 ] - [ 0.0000398400000000, -0.0000230000000000, -0.0004896700000000 ] - [ 0.0040271000000000, 0.0029740500000000, -0.0028735100000000 ] - [ -0.0000059000000000, 0.0000034100000000, -0.0009237300000000 ] - [ 0.0000355300000000, 0.0001790800000000, -0.0003719000000000 ] - [ -0.0005620600000000, -0.0049745900000000, -0.0028735100000000 ] - [ 0.0000745800000000, -0.0000430600000000, 0.0028250300000000 ] - [ -0.0001373200000000, -0.0001203100000000, -0.0003719000000000 ] - [ -0.0273519700000000, 0.0157916700000000, 0.0516823200000000 ] - [ 0.0045424100000000, 0.0049119600000000, -0.0044500700000000 ] - [ -0.0019826700000000, -0.0063898300000000, -0.0044500700000000 ] - [ 0.0036340100000000, 0.0014115100000000, 0.0092584000000000 ] - [ -0.0003040100000000, 0.0001755200000000, 0.0036474600000000 ] - [ 0.0005946000000000, -0.0038529000000000, 0.0092584000000000 ] - [ -0.0001053100000000, 0.0000608000000000, -0.0002655600000000 ] - [ -0.0000006600000000, 0.0001529700000000, -0.0005419500000000 ] - [ 0.0001072100000000, 0.0000607600000000, -0.0002638900000000 ] - [ -0.0001328100000000, -0.0000759200000000, -0.0005419500000000 ] - [ 0.0001337700000000, -0.0000772300000000, -0.0005412300000000 ] - [ 0.0000009900000000, -0.0001232300000000, -0.0002638900000000 ] - [ -0.0000911200000000, 0.0000526100000000, -0.0004529100000000 ] - [ 0.0000005100000000, 0.0002003000000000, -0.0006298000000000 ] - [ 0.0000883900000000, 0.0000511000000000, -0.0004549500000000 ] - [ -0.0001732100000000, -0.0001005900000000, -0.0006298000000000 ] - [ 0.0001755700000000, -0.0001013700000000, -0.0006314900000000 ] - [ -0.0000000600000000, -0.0001021000000000, -0.0004549500000000 ] - [ -0.0001174900000000, 0.0000678300000000, -0.0006588500000000 ] - [ 0.0000001400000000, 0.0000324000000000, -0.0005325900000000 ] - [ 0.0001164700000000, 0.0000679800000000, -0.0006602000000000 ] - [ -0.0000279900000000, -0.0000163200000000, -0.0005325900000000 ] - [ -0.0000006400000000, -0.0001348600000000, -0.0006602000000000 ] - [ 0.0000239400000000, -0.0000138200000000, -0.0005304800000000 ] - [ -0.0000007300000000, 0.0000019100000000, -0.0003264400000000 ] - [ -0.0000086000000000, 0.0000049600000000, -0.0005034000000000 ] - [ 0.0000122200000000, 0.0000071500000000, -0.0005013700000000 ] - [ -0.0000020200000000, -0.0000003300000000, -0.0003264400000000 ] - [ -0.0000005400000000, 0.0000003100000000, -0.0003257300000000 ] - [ -0.0000000800000000, -0.0000141600000000, -0.0005013700000000 ] - [ 0.0001674200000000, -0.0000966600000000, -0.0002943700000000 ] - [ -0.0000002600000000, -0.0001439700000000, -0.0003527800000000 ] - [ 0.0001245500000000, 0.0000722100000000, -0.0003527800000000 ] - [ -0.0001645500000000, -0.0000956900000000, -0.0002921200000000 ] - [ -0.0001255300000000, 0.0000724700000000, -0.0003518100000000 ] - [ 0.0000005900000000, 0.0001903500000000, -0.0002921200000000 ] - [ -0.0001043300000000, 0.0000602300000000, -0.0002677300000000 ] - [ 0.0000162500000000, 0.0001749700000000, -0.0005629500000000 ] - [ 0.0001062400000000, 0.0000602400000000, -0.0002660700000000 ] - [ -0.0001434100000000, -0.0001015600000000, -0.0005629500000000 ] - [ 0.0001401500000000, -0.0000809100000000, -0.0004874400000000 ] - [ 0.0000009500000000, -0.0001221300000000, -0.0002660700000000 ] - [ -0.0000919600000000, 0.0000531000000000, -0.0004541800000000 ] - [ 0.0000005700000000, 0.0002041700000000, -0.0006340400000000 ] - [ 0.0000903200000000, 0.0000542700000000, -0.0004510100000000 ] - [ -0.0001765300000000, -0.0001025800000000, -0.0006340400000000 ] - [ 0.0001789800000000, -0.0001033400000000, -0.0006356700000000 ] - [ -0.0000018500000000, -0.0001053500000000, -0.0004510100000000 ] - [ -0.0001169900000000, 0.0000675500000000, -0.0006641500000000 ] - [ 0.0000000500000000, 0.0000314500000000, -0.0005334700000000 ] - [ 0.0001161900000000, 0.0000676800000000, -0.0006653200000000 ] - [ -0.0000272200000000, -0.0000157700000000, -0.0005334700000000 ] - [ -0.0000005100000000, -0.0001344700000000, -0.0006653200000000 ] - [ 0.0000231200000000, -0.0000133500000000, -0.0005317300000000 ] - [ -0.0000006700000000, 0.0000006600000000, -0.0003242000000000 ] - [ -0.0000061100000000, 0.0000035300000000, -0.0005086200000000 ] - [ 0.0000097000000000, 0.0000057300000000, -0.0005067800000000 ] - [ -0.0000009100000000, 0.0000002500000000, -0.0003242000000000 ] - [ -0.0000009700000000, 0.0000005600000000, -0.0003218300000000 ] - [ -0.0000001200000000, -0.0000112700000000, -0.0005067800000000 ] - [ 0.0001693100000000, -0.0000977500000000, -0.0002969800000000 ] - [ -0.0000003800000000, -0.0001445300000000, -0.0003512100000000 ] - [ 0.0001249700000000, 0.0000725900000000, -0.0003512100000000 ] - [ -0.0001665900000000, -0.0000968800000000, -0.0002948200000000 ] - [ -0.0001263400000000, 0.0000729400000000, -0.0003497600000000 ] - [ 0.0000006100000000, 0.0001927100000000, -0.0002948200000000 ]- atom: 86 displacement: [ -0.0050000000070399, 0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0000003300000000, -0.0000002900000000, 0.0001144200000000 ] - [ -0.0000002000000000, 0.0000002500000000, -0.0000760000000000 ] - [ -0.0000000100000000, 0.0000002600000000, -0.0001479100000000 ] - [ -0.0001292800000000, -0.0001188900000000, 0.0004628700000000 ] - [ -0.0009414400000000, 0.0014444600000000, -0.0003273100000000 ] - [ 0.0000000900000000, 0.0000004200000000, 0.0001181500000000 ] - [ -0.0000004100000000, 0.0000002200000000, -0.0000732400000000 ] - [ -0.0000002200000000, 0.0000007300000000, -0.0001510800000000 ] - [ -0.0000003400000000, 0.0000005200000000, 0.0000659700000000 ] - [ -0.0000000700000000, 0.0000000600000000, 0.0001366100000000 ] - [ -0.0000788700000000, -0.0000656300000000, 0.0003243700000000 ] - [ 0.0000027300000000, -0.0000041300000000, -0.0000820400000000 ] - [ 0.0000000600000000, 0.0000002700000000, -0.0001479900000000 ] - [ -0.0000000500000000, -0.0000002500000000, 0.0000664400000000 ] - [ -0.0000001700000000, 0.0000001100000000, 0.0001378500000000 ] - [ -0.0009819100000000, 0.0029144300000000, 0.0015750600000000 ] - [ -0.0000001500000000, 0.0000002100000000, -0.0000569700000000 ] - [ -0.0000009500000000, 0.0000001900000000, 0.0000125700000000 ] - [ 0.0000088200000000, -0.0000124800000000, 0.0000330300000000 ] - [ -0.0008596600000000, -0.0003710400000000, -0.0017914700000000 ] - [ -0.0000002500000000, 0.0000001900000000, 0.0001106900000000 ] - [ 0.0000001500000000, -0.0000000400000000, -0.0000630600000000 ] - [ -0.0000001800000000, 0.0000000800000000, 0.0000013800000000 ] - [ 0.0000002200000000, -0.0000000900000000, 0.0000504700000000 ] - [ 0.0000000500000000, 0.0000001400000000, -0.0002257200000000 ] - [ 0.0000001300000000, 0.0000000300000000, 0.0001111300000000 ] - [ -0.0000010300000000, 0.0000002000000000, -0.0000556900000000 ] - [ -0.0000003300000000, 0.0000001700000000, 0.0000061700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0000551900000000 ] - [ -0.0000002200000000, 0.0000002400000000, -0.0002282500000000 ] - [ 0.0000005700000000, -0.0000002100000000, -0.0000100400000000 ] - [ -0.0000011700000000, 0.0000008700000000, -0.0002177500000000 ] - [ 0.0000045000000000, -0.0000020000000000, 0.0000605400000000 ] - [ 0.0004635800000000, 0.0004869800000000, 0.0004588200000000 ] - [ -0.0013998300000000, 0.0006603000000000, -0.0001925700000000 ] - [ 0.0000004100000000, -0.0000001300000000, -0.0000084800000000 ] - [ -0.0000006800000000, 0.0000004300000000, -0.0002183700000000 ] - [ 0.0000026000000000, -0.0000012900000000, 0.0000477400000000 ] - [ 0.0000002100000000, 0.0000000700000000, -0.0002160600000000 ] - [ -0.0000007100000000, 0.0000004100000000, -0.0000335800000000 ] - [ 0.0000024400000000, 0.0000000600000000, -0.0000018100000000 ] - [ -0.0000007300000000, 0.0000004600000000, -0.0002158300000000 ] - [ 0.0000029600000000, -0.0000014900000000, 0.0000493100000000 ] - [ 0.0000000700000000, 0.0000001500000000, -0.0002180900000000 ] - [ -0.0000008300000000, 0.0000004800000000, -0.0000326000000000 ] - [ 0.0000000200000000, 0.0000002000000000, 0.0004601100000000 ] - [ 0.0000003000000000, -0.0000000200000000, -0.0004723700000000 ] - [ -0.0000348300000000, 0.0000534500000000, 0.0001204500000000 ] - [ 0.0000000300000000, 0.0000001800000000, -0.0006591700000000 ] - [ -0.0015989500000000, 0.0232251300000000, -0.0163871200000000 ] - [ -0.0000006000000000, 0.0000004700000000, 0.0004692100000000 ] - [ 0.0000008900000000, -0.0000003800000000, -0.0004594700000000 ] - [ 0.0000001300000000, 0.0000001500000000, 0.0003352700000000 ] - [ -0.0000006000000000, 0.0000005400000000, -0.0006713300000000 ] - [ -0.0000010800000000, 0.0000007300000000, 0.0003439100000000 ] - [ 0.0007540600000000, 0.0005396200000000, 0.0014366700000000 ] - [ -0.0000322900000000, 0.0000258900000000, -0.0005951200000000 ] - [ -0.0000001700000000, 0.0000004100000000, 0.0003420000000000 ] - [ -0.0000012600000000, 0.0000009200000000, -0.0006606400000000 ] - [ -0.0000002100000000, 0.0000001300000000, 0.0003487600000000 ] - [ 0.0006861900000000, -0.0005232200000000, -0.0004277900000000 ] - [ -0.0000010300000000, 0.0000522800000000, -0.0000392800000000 ] - [ -0.0025414500000000, 0.0006762000000000, -0.0043709100000000 ] - [ -0.0000457100000000, -0.0000253100000000, -0.0000401600000000 ] - [ 0.0000459500000000, -0.0000264200000000, -0.0000386200000000 ] - [ -0.0001961800000000, 0.0001516800000000, 0.0000084300000000 ] - [ -0.0001319300000000, 0.0000763200000000, 0.0000520300000000 ] - [ 0.0000002100000000, 0.0001257200000000, -0.0002243400000000 ] - [ 0.0001291300000000, 0.0000748000000000, 0.0000498500000000 ] - [ -0.0001085000000000, -0.0000628300000000, -0.0002249800000000 ] - [ 0.0001102700000000, -0.0000636100000000, -0.0002264100000000 ] - [ -0.0000000900000000, -0.0001492600000000, 0.0000507300000000 ] - [ -0.0001101400000000, 0.0000636400000000, -0.0001314700000000 ] - [ -0.0000005200000000, 0.0000637100000000, -0.0000818500000000 ] - [ 0.0001085100000000, 0.0000634700000000, -0.0001331800000000 ] - [ -0.0000539300000000, -0.0000309400000000, -0.0000833700000000 ] - [ -0.0000006800000000, -0.0001255700000000, -0.0001334200000000 ] - [ 0.0000494000000000, -0.0000288100000000, -0.0000828700000000 ] - [ -0.0001474900000000, 0.0007165900000000, 0.0005973100000000 ] - [ -0.0000630700000000, 0.0000328700000000, -0.0000672100000000 ] - [ 0.0000646200000000, 0.0000298900000000, -0.0000830300000000 ] - [ -0.0002354100000000, -0.0002094000000000, 0.0003441800000000 ] - [ 0.0002710800000000, -0.0003642400000000, 0.0002322000000000 ] - [ 0.0000040000000000, -0.0000702800000000, -0.0000742900000000 ] - [ 0.0032217500000000, -0.0022913300000000, -0.0020017500000000 ] - [ 0.0124907400000000, -0.0558750200000000, 0.0236554800000000 ] - [ 0.0099543900000000, 0.0099673700000000, 0.0024144900000000 ] - [ -0.0048927800000000, -0.0007879100000000, -0.0064592400000000 ] - [ -0.0136069900000000, 0.0192617000000000, 0.0028994600000000 ] - [ -0.0001189100000000, 0.0002826700000000, 0.0002838900000000 ] - [ -0.0001869200000000, 0.0001080000000000, 0.0001540500000000 ] - [ -0.0000009400000000, 0.0000553200000000, -0.0000439500000000 ] - [ 0.0001885200000000, 0.0001080200000000, 0.0001557100000000 ] - [ -0.0000482600000000, -0.0000268900000000, -0.0000448300000000 ] - [ 0.0000488000000000, -0.0000280800000000, -0.0000436100000000 ] - [ 0.0000008500000000, -0.0002170000000000, 0.0001558500000000 ] - [ -0.0001300600000000, 0.0000752500000000, 0.0000477400000000 ] - [ 0.0000003300000000, 0.0001239700000000, -0.0002214800000000 ] - [ 0.0001269300000000, 0.0000736400000000, 0.0000453100000000 ] - [ -0.0001069400000000, -0.0000620400000000, -0.0002221200000000 ] - [ 0.0001089900000000, -0.0000628600000000, -0.0002237000000000 ] - [ -0.0000001800000000, -0.0001468100000000, 0.0000461900000000 ] - [ -0.0001113000000000, 0.0000643600000000, -0.0001263400000000 ] - [ -0.0000000800000000, 0.0000585400000000, -0.0000833700000000 ] - [ 0.0001098000000000, 0.0000643300000000, -0.0001277000000000 ] - [ -0.0000506100000000, -0.0000290800000000, -0.0000831800000000 ] - [ -0.0000007500000000, -0.0001271300000000, -0.0001279900000000 ] - [ 0.0000462200000000, -0.0000265500000000, -0.0000811300000000 ] - [ -0.0000009400000000, -0.0000078600000000, 0.0001913000000000 ] - [ -0.0000423600000000, 0.0000245600000000, -0.0000615800000000 ] - [ 0.0000456100000000, 0.0000267600000000, -0.0000594700000000 ] - [ 0.0000061700000000, 0.0000047800000000, 0.0001914300000000 ] - [ -0.0000088000000000, 0.0000052200000000, 0.0001936900000000 ] - [ -0.0000002600000000, -0.0000526900000000, -0.0000600100000000 ] - [ 0.0000958000000000, -0.0000553000000000, 0.0001178200000000 ] - [ -0.0000003700000000, -0.0001386300000000, 0.0001729300000000 ] - [ 0.0001197800000000, 0.0000698200000000, 0.0001734200000000 ] - [ -0.0000932400000000, -0.0000542500000000, 0.0001198300000000 ] - [ -0.0001212600000000, 0.0000702600000000, 0.0001744400000000 ] - [ 0.0000003800000000, 0.0001082100000000, 0.0001203900000000 ] - [ -0.0001855400000000, 0.0001071600000000, 0.0001514900000000 ] - [ -0.0001447600000000, 0.0007936000000000, 0.0001871600000000 ] - [ 0.0001871100000000, 0.0001072300000000, 0.0001531100000000 ] - [ -0.0002717100000000, -0.0002007400000000, 0.0000793500000000 ] - [ 0.0003675000000000, -0.0003867200000000, -0.0000431400000000 ] - [ 0.0000007900000000, -0.0002153200000000, 0.0001532300000000 ] - [ -0.0001394600000000, 0.0000789600000000, 0.0000461900000000 ] - [ -0.0000000900000000, 0.0001267400000000, -0.0002248000000000 ] - [ 0.0001344600000000, 0.0000727200000000, 0.0000283200000000 ] - [ -0.0001092300000000, -0.0000631400000000, -0.0002252400000000 ] - [ 0.0001115500000000, -0.0000645800000000, -0.0002277500000000 ] - [ 0.0000033700000000, -0.0001545500000000, 0.0000389800000000 ] - [ -0.0001094100000000, 0.0000632900000000, -0.0001322500000000 ] - [ -0.0000001400000000, 0.0000576400000000, -0.0000831400000000 ] - [ 0.0001082500000000, 0.0000633000000000, -0.0001336400000000 ] - [ -0.0000499000000000, -0.0000286100000000, -0.0000828800000000 ] - [ -0.0000006300000000, -0.0001252700000000, -0.0001338300000000 ] - [ 0.0000453800000000, -0.0000260700000000, -0.0000807600000000 ] - [ -0.0000008500000000, -0.0000092700000000, 0.0001930300000000 ] - [ -0.0000396900000000, 0.0000230000000000, -0.0000674300000000 ] - [ 0.0000429600000000, 0.0000252800000000, -0.0000652800000000 ] - [ 0.0000074200000000, 0.0000054100000000, 0.0001932000000000 ] - [ -0.0000097100000000, 0.0000057400000000, 0.0001952500000000 ] - [ -0.0000003400000000, -0.0000496100000000, -0.0000658900000000 ] - [ 0.0000982900000000, -0.0000567200000000, 0.0001145500000000 ] - [ -0.0000004700000000, -0.0001395500000000, 0.0001749300000000 ] - [ 0.0001205700000000, 0.0000703700000000, 0.0001754700000000 ] - [ -0.0000957900000000, -0.0000557400000000, 0.0001164700000000 ] - [ -0.0001224600000000, 0.0000709200000000, 0.0001767400000000 ] - [ 0.0000004000000000, 0.0001111600000000, 0.0001170100000000 ]- atom: 86 displacement: [ 0.0050000000070399, -0.0086602540337799, 0.0000000000000000 ] forces: - [ 0.0000002200000000, 0.0000000000000000, 0.0001185800000000 ] - [ -0.0000004100000000, 0.0000004600000000, -0.0000712900000000 ] - [ -0.0000003700000000, 0.0000003200000000, -0.0001426300000000 ] - [ 0.0001299200000000, 0.0001185800000000, -0.0003206400000000 ] - [ 0.0009533900000000, -0.0014398300000000, 0.0006009000000000 ] - [ 0.0000001600000000, 0.0000000500000000, 0.0001226900000000 ] - [ -0.0000004900000000, 0.0000006800000000, -0.0000685600000000 ] - [ -0.0000003200000000, -0.0000000600000000, -0.0001463100000000 ] - [ -0.0000002500000000, 0.0000002200000000, 0.0000708500000000 ] - [ -0.0000000100000000, 0.0000003700000000, 0.0001414600000000 ] - [ 0.0000787700000000, 0.0000666300000000, -0.0000837000000000 ] - [ -0.0000037000000000, 0.0000050700000000, -0.0000577500000000 ] - [ -0.0000002000000000, 0.0000001900000000, -0.0001431200000000 ] - [ -0.0000001500000000, 0.0000006600000000, 0.0000718100000000 ] - [ -0.0000001100000000, 0.0000003900000000, 0.0001427700000000 ] - [ 0.0009872900000000, -0.0030157500000000, -0.0014690700000000 ] - [ -0.0000002600000000, 0.0000004000000000, -0.0000464600000000 ] - [ 0.0000009400000000, -0.0000000700000000, 0.0000144000000000 ] - [ -0.0000096000000000, 0.0000132400000000, 0.0000840000000000 ] - [ 0.0008451100000000, 0.0004407200000000, 0.0014103100000000 ] - [ -0.0000003700000000, 0.0000003800000000, 0.0001209700000000 ] - [ 0.0000001200000000, 0.0000002100000000, -0.0000518200000000 ] - [ -0.0000002000000000, 0.0000003000000000, 0.0000111000000000 ] - [ 0.0000001000000000, 0.0000002100000000, 0.0000619500000000 ] - [ -0.0000000700000000, 0.0000002500000000, -0.0002139400000000 ] - [ -0.0000000300000000, 0.0000001100000000, 0.0001213900000000 ] - [ 0.0000009400000000, 0.0000002400000000, -0.0000469300000000 ] - [ -0.0000004200000000, 0.0000003800000000, 0.0000158700000000 ] - [ -0.0000000200000000, 0.0000003000000000, 0.0000665900000000 ] - [ -0.0000003000000000, 0.0000004100000000, -0.0002164600000000 ] - [ 0.0000004400000000, 0.0000000100000000, -0.0000057900000000 ] - [ -0.0000009100000000, 0.0000005300000000, -0.0002119900000000 ] - [ 0.0000007600000000, -0.0000004800000000, 0.0000453600000000 ] - [ -0.0004688600000000, -0.0004823800000000, -0.0008796900000000 ] - [ 0.0013909800000000, -0.0003320900000000, -0.0000970100000000 ] - [ 0.0000002700000000, 0.0000000900000000, -0.0000045300000000 ] - [ -0.0000007700000000, 0.0000006200000000, -0.0002145900000000 ] - [ 0.0000025100000000, -0.0000010900000000, 0.0000517700000000 ] - [ 0.0000001200000000, 0.0000002800000000, -0.0002111000000000 ] - [ -0.0000008300000000, 0.0000006000000000, -0.0000292900000000 ] - [ -0.0000012100000000, -0.0000001000000000, -0.0000079400000000 ] - [ -0.0000008700000000, 0.0000006700000000, -0.0002125200000000 ] - [ 0.0000028600000000, -0.0000012900000000, 0.0000534600000000 ] - [ -0.0000000400000000, 0.0000003800000000, -0.0002132300000000 ] - [ -0.0000009400000000, 0.0000006800000000, -0.0000282600000000 ] - [ -0.0000001000000000, 0.0000002300000000, 0.0004685800000000 ] - [ 0.0000000500000000, 0.0000001100000000, -0.0004631100000000 ] - [ 0.0000366000000000, -0.0000537700000000, 0.0005595500000000 ] - [ -0.0000000300000000, 0.0000002400000000, -0.0006515300000000 ] - [ 0.0014587400000000, -0.0244336700000000, 0.0181208900000000 ] - [ -0.0000004700000000, 0.0000006200000000, 0.0004778000000000 ] - [ 0.0000007200000000, -0.0000002400000000, -0.0004498400000000 ] - [ -0.0000000400000000, 0.0000001000000000, 0.0003455300000000 ] - [ -0.0000006600000000, 0.0000005900000000, -0.0006636000000000 ] - [ -0.0000010000000000, 0.0000007100000000, 0.0003525600000000 ] - [ -0.0007469100000000, -0.0005456500000000, -0.0004933600000000 ] - [ 0.0000322000000000, -0.0000260300000000, -0.0003128700000000 ] - [ -0.0000004700000000, 0.0000004200000000, 0.0003523300000000 ] - [ -0.0000009500000000, 0.0000008200000000, -0.0006505900000000 ] - [ -0.0000002200000000, 0.0000003600000000, 0.0003572800000000 ] - [ -0.0010830700000000, 0.0007238500000000, 0.0007671000000000 ] - [ -0.0000011100000000, 0.0000536500000000, -0.0000452200000000 ] - [ 0.0029076700000000, -0.0004779700000000, 0.0046409800000000 ] - [ -0.0000468100000000, -0.0000257000000000, -0.0000460800000000 ] - [ 0.0000468700000000, -0.0000268100000000, -0.0000446000000000 ] - [ 0.0002023600000000, -0.0005701800000000, 0.0002842800000000 ] - [ -0.0001322600000000, 0.0000766800000000, 0.0000483100000000 ] - [ 0.0000001800000000, 0.0001258000000000, -0.0002272500000000 ] - [ 0.0001293200000000, 0.0000751900000000, 0.0000461700000000 ] - [ -0.0001085600000000, -0.0000626300000000, -0.0002278500000000 ] - [ 0.0001101700000000, -0.0000634000000000, -0.0002293100000000 ] - [ -0.0000001800000000, -0.0001493500000000, 0.0000470200000000 ] - [ -0.0001093600000000, 0.0000634200000000, -0.0001376100000000 ] - [ 0.0000004900000000, 0.0000535900000000, -0.0000961400000000 ] - [ 0.0001074600000000, 0.0000633200000000, -0.0001389500000000 ] - [ -0.0000473000000000, -0.0000272100000000, -0.0000942100000000 ] - [ -0.0000009000000000, -0.0001243700000000, -0.0001392100000000 ] - [ 0.0000431400000000, -0.0000242100000000, -0.0000905300000000 ] - [ 0.0001462600000000, -0.0007270300000000, -0.0002217800000000 ] - [ -0.0000218400000000, 0.0000164800000000, -0.0000634700000000 ] - [ 0.0000264300000000, 0.0000240300000000, -0.0000432300000000 ] - [ 0.0002454200000000, 0.0002165500000000, 0.0000309700000000 ] - [ -0.0002860900000000, 0.0003728200000000, 0.0001516700000000 ] - [ -0.0000048700000000, -0.0000348600000000, -0.0000531700000000 ] - [ -0.0030026000000000, 0.0021910700000000, 0.0021939900000000 ] - [ -0.0123181200000000, 0.0564056300000000, -0.0240386400000000 ] - [ -0.0097359200000000, -0.0098306800000000, -0.0020814000000000 ] - [ 0.0047235300000000, 0.0007123300000000, 0.0067401700000000 ] - [ 0.0133875600000000, -0.0191425600000000, -0.0025681300000000 ] - [ 0.0001102400000000, -0.0000361300000000, -0.0000605500000000 ] - [ -0.0001861700000000, 0.0001077000000000, 0.0001488900000000 ] - [ -0.0000010500000000, 0.0000563100000000, -0.0000498000000000 ] - [ 0.0001875400000000, 0.0001077100000000, 0.0001505300000000 ] - [ -0.0000490600000000, -0.0000270800000000, -0.0000507100000000 ] - [ 0.0000494300000000, -0.0000282900000000, -0.0000495100000000 ] - [ 0.0000007300000000, -0.0002157700000000, 0.0001506900000000 ] - [ -0.0001306200000000, 0.0000757500000000, 0.0000442800000000 ] - [ 0.0000002500000000, 0.0001241500000000, -0.0002240600000000 ] - [ 0.0001273800000000, 0.0000741600000000, 0.0000419400000000 ] - [ -0.0001070400000000, -0.0000618400000000, -0.0002246400000000 ] - [ 0.0001089200000000, -0.0000626700000000, -0.0002263100000000 ] - [ -0.0000002600000000, -0.0001471700000000, 0.0000427900000000 ] - [ -0.0001112800000000, 0.0000644800000000, -0.0001325600000000 ] - [ -0.0000001700000000, 0.0000585300000000, -0.0000891200000000 ] - [ 0.0001095600000000, 0.0000644400000000, -0.0001339400000000 ] - [ -0.0000505200000000, -0.0000287900000000, -0.0000889500000000 ] - [ -0.0000008700000000, -0.0001267500000000, -0.0001341700000000 ] - [ 0.0000459200000000, -0.0000262400000000, -0.0000868900000000 ] - [ -0.0000010100000000, -0.0000073300000000, 0.0001857300000000 ] - [ -0.0000424700000000, 0.0000247800000000, -0.0000663300000000 ] - [ 0.0000455000000000, 0.0000269700000000, -0.0000641900000000 ] - [ 0.0000057700000000, 0.0000048200000000, 0.0001859400000000 ] - [ -0.0000086400000000, 0.0000052900000000, 0.0001882100000000 ] - [ -0.0000003600000000, -0.0000525500000000, -0.0000647300000000 ] - [ 0.0000963700000000, -0.0000554900000000, 0.0001136100000000 ] - [ -0.0000004800000000, -0.0001383300000000, 0.0001669800000000 ] - [ 0.0001195500000000, 0.0000699300000000, 0.0001674200000000 ] - [ -0.0000939500000000, -0.0000544100000000, 0.0001157200000000 ] - [ -0.0001212200000000, 0.0000703500000000, 0.0001684600000000 ] - [ 0.0000002900000000, 0.0001091800000000, 0.0001162300000000 ] - [ -0.0001842200000000, 0.0001065500000000, 0.0001458300000000 ] - [ 0.0001416500000000, -0.0006850900000000, -0.0002795100000000 ] - [ 0.0001856000000000, 0.0001066100000000, 0.0001474200000000 ] - [ 0.0001753200000000, 0.0001489500000000, -0.0001737000000000 ] - [ -0.0002698500000000, 0.0003312500000000, -0.0000534000000000 ] - [ 0.0000006900000000, -0.0002135500000000, 0.0001475700000000 ] - [ -0.0001204500000000, 0.0000715400000000, 0.0000455100000000 ] - [ 0.0000005600000000, 0.0001253900000000, -0.0002298400000000 ] - [ 0.0001197700000000, 0.0000747100000000, 0.0000588400000000 ] - [ -0.0001082400000000, -0.0000626700000000, -0.0002305300000000 ] - [ 0.0001102000000000, -0.0000631800000000, -0.0002315200000000 ] - [ -0.0000035900000000, -0.0001390500000000, 0.0000498300000000 ] - [ -0.0001096800000000, 0.0000635500000000, -0.0001379400000000 ] - [ -0.0000002400000000, 0.0000577600000000, -0.0000891800000000 ] - [ 0.0001082000000000, 0.0000636000000000, -0.0001390500000000 ] - [ -0.0000498800000000, -0.0000283300000000, -0.0000890300000000 ] - [ -0.0000008100000000, -0.0001251200000000, -0.0001393700000000 ] - [ 0.0000451300000000, -0.0000257800000000, -0.0000868900000000 ] - [ -0.0000009400000000, -0.0000082500000000, 0.0001874000000000 ] - [ -0.0000400300000000, 0.0000233600000000, -0.0000716700000000 ] - [ 0.0000431000000000, 0.0000256400000000, -0.0000694600000000 ] - [ 0.0000066300000000, 0.0000052300000000, 0.0001876900000000 ] - [ -0.0000091900000000, 0.0000056000000000, 0.0001897100000000 ] - [ -0.0000004300000000, -0.0000497600000000, -0.0000700700000000 ] - [ 0.0000988900000000, -0.0000569700000000, 0.0001103300000000 ] - [ -0.0000005700000000, -0.0001394600000000, 0.0001691600000000 ] - [ 0.0001204900000000, 0.0000705800000000, 0.0001696100000000 ] - [ -0.0000965700000000, -0.0000559500000000, 0.0001123500000000 ] - [ -0.0001226000000000, 0.0000711300000000, 0.0001709200000000 ] - [ 0.0000002800000000, 0.0001122300000000, 0.0001129000000000 ]- atom: 86 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000000300000000, -0.0004810500000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0006926000000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0007458100000000 ] - [ 0.0000000000000000, 0.0002321100000000, -0.0004187100000000 ] - [ 0.0000000000000000, -0.0002307100000000, 0.0099362900000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0004775200000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0006902900000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0007489000000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0005376900000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0004642400000000 ] - [ 0.0000000000000000, 0.0001239100000000, -0.0003605700000000 ] - [ 0.0000000000000000, -0.0000331600000000, -0.0006946200000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0007461200000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0005370300000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0004629800000000 ] - [ 0.0000000000000000, -0.0008150500000000, 0.0104764200000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0014105800000000 ] - [ 0.0000000000000000, 0.0000050100000000, -0.0013355900000000 ] - [ 0.0000000000000000, -0.0000767400000000, -0.0012520000000000 ] - [ 0.0000000000000000, 0.0006155600000000, 0.0099471900000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0012426000000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0014167600000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0013436800000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0012430900000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0015749000000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0012422500000000 ] - [ 0.0000000000000000, 0.0000059300000000, -0.0014096800000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0013392200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0012384900000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0015777400000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0005769000000000 ] - [ 0.0000000000000000, 0.0000021400000000, -0.0007859200000000 ] - [ 0.0000000000000000, -0.0000115100000000, -0.0004194600000000 ] - [ 0.0000000000000000, -0.0012011900000000, -0.0003298700000000 ] - [ 0.0000000000000000, 0.0017616100000000, 0.0091414600000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005757000000000 ] - [ 0.0000000000000000, 0.0000004500000000, -0.0007870300000000 ] - [ 0.0000000000000000, -0.0000012500000000, -0.0004264000000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0007914800000000 ] - [ 0.0000000000000000, 0.0000004700000000, -0.0006034700000000 ] - [ 0.0000000000000000, -0.0000098900000000, -0.0005714500000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0007849300000000 ] - [ 0.0000000000000000, -0.0000014500000000, -0.0004236400000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0007937300000000 ] - [ 0.0000000000000000, 0.0000005100000000, -0.0006023500000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0005690800000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0016935000000000 ] - [ 0.0000000000000000, 0.0003143000000000, -0.0007985300000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0017029900000000 ] - [ 0.0000000000000000, -0.0178797300000000, 0.0289449400000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0005601000000000 ] - [ 0.0000000000000000, -0.0000005100000000, -0.0016806200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0007408500000000 ] - [ 0.0000000000000000, 0.0000004700000000, -0.0017155700000000 ] - [ 0.0000000000000000, 0.0000007200000000, -0.0006942000000000 ] - [ 0.0000000000000000, -0.0017036200000000, 0.0005846200000000 ] - [ 0.0000000000000000, 0.0002830500000000, -0.0017620300000000 ] - [ 0.0000000000000000, 0.0000004000000000, -0.0007333800000000 ] - [ 0.0000000000000000, 0.0000023300000000, -0.0017045200000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0006897200000000 ] - [ -0.0040986200000000, -0.0018941600000000, 0.0030554600000000 ] - [ 0.0000000000000000, -0.0000729300000000, 0.0005855800000000 ] - [ 0.0040986200000000, -0.0018941600000000, 0.0030554600000000 ] - [ 0.0000626600000000, 0.0000368300000000, 0.0005855200000000 ] - [ -0.0000626600000000, 0.0000368300000000, 0.0005855200000000 ] - [ 0.0000000000000000, 0.0001929600000000, -0.0024861200000000 ] - [ -0.0001817200000000, 0.0001051400000000, 0.0006928800000000 ] - [ 0.0000000000000000, 0.0000229200000000, 0.0003014300000000 ] - [ 0.0001817200000000, 0.0001051400000000, 0.0006928800000000 ] - [ -0.0000203400000000, -0.0000117700000000, 0.0002997400000000 ] - [ 0.0000203400000000, -0.0000117700000000, 0.0002997400000000 ] - [ 0.0000000000000000, -0.0002083300000000, 0.0006926800000000 ] - [ -0.0000983600000000, 0.0000570300000000, 0.0005367600000000 ] - [ 0.0000000000000000, 0.0000962000000000, 0.0004884300000000 ] - [ 0.0000983600000000, 0.0000570300000000, 0.0005367600000000 ] - [ -0.0000793600000000, -0.0000436100000000, 0.0004771600000000 ] - [ 0.0000000000000000, -0.0001127100000000, 0.0005348200000000 ] - [ 0.0000793600000000, -0.0000436100000000, 0.0004771600000000 ] - [ 0.0000000000000000, 0.0001481100000000, 0.0017639700000000 ] - [ -0.0001254900000000, 0.0000331700000000, 0.0005185300000000 ] - [ 0.0001254900000000, 0.0000331700000000, 0.0005185300000000 ] - [ -0.0000861500000000, 0.0000957300000000, 0.0005208000000000 ] - [ 0.0000861500000000, 0.0000957300000000, 0.0005208000000000 ] - [ 0.0000000000000000, -0.0000996300000000, 0.0004475700000000 ] - [ -0.0060432700000000, -0.0018130400000000, 0.0047349400000000 ] - [ 0.0000000000000000, 0.0277357000000000, -0.0542290900000000 ] - [ -0.0021269600000000, -0.0017874800000000, -0.0121486700000000 ] - [ 0.0060432700000000, -0.0018130400000000, 0.0047349400000000 ] - [ 0.0021269600000000, -0.0017874800000000, -0.0121486700000000 ] - [ 0.0000000000000000, 0.0010419200000000, -0.0033553800000000 ] - [ -0.0002838400000000, 0.0001635300000000, 0.0006761100000000 ] - [ 0.0000000000000000, -0.0000708900000000, 0.0005819200000000 ] - [ 0.0002838400000000, 0.0001635300000000, 0.0006761100000000 ] - [ 0.0000607800000000, 0.0000356700000000, 0.0005813500000000 ] - [ -0.0000607800000000, 0.0000356700000000, 0.0005813500000000 ] - [ 0.0000000000000000, -0.0003278500000000, 0.0006772700000000 ] - [ -0.0001796200000000, 0.0001039700000000, 0.0006884300000000 ] - [ 0.0000000000000000, 0.0000198400000000, 0.0003050900000000 ] - [ 0.0001796200000000, 0.0001039700000000, 0.0006884300000000 ] - [ -0.0000178000000000, -0.0000103700000000, 0.0003036500000000 ] - [ 0.0000178000000000, -0.0000103700000000, 0.0003036500000000 ] - [ 0.0000000000000000, -0.0002057400000000, 0.0006881100000000 ] - [ -0.0000986500000000, 0.0000575000000000, 0.0005404900000000 ] - [ 0.0000000000000000, 0.0000928000000000, 0.0004824100000000 ] - [ 0.0000986500000000, 0.0000575000000000, 0.0005404900000000 ] - [ -0.0000780800000000, -0.0000449000000000, 0.0004836200000000 ] - [ 0.0000000000000000, -0.0001132800000000, 0.0005394100000000 ] - [ 0.0000780800000000, -0.0000449000000000, 0.0004836200000000 ] - [ 0.0000000000000000, -0.0000194900000000, 0.0008500800000000 ] - [ -0.0000913200000000, 0.0000530200000000, 0.0004982600000000 ] - [ 0.0000913200000000, 0.0000530200000000, 0.0004982600000000 ] - [ 0.0000176600000000, 0.0000109300000000, 0.0008515600000000 ] - [ -0.0000176600000000, 0.0000109300000000, 0.0008515600000000 ] - [ 0.0000000000000000, -0.0001073400000000, 0.0004987700000000 ] - [ 0.0000063600000000, -0.0000038100000000, 0.0006411400000000 ] - [ 0.0000000000000000, -0.0001345800000000, 0.0008394100000000 ] - [ 0.0001169700000000, 0.0000679900000000, 0.0008403600000000 ] - [ -0.0000063600000000, -0.0000038100000000, 0.0006411400000000 ] - [ -0.0001169700000000, 0.0000679900000000, 0.0008403600000000 ] - [ 0.0000000000000000, 0.0000063100000000, 0.0006426600000000 ] - [ -0.0002822200000000, 0.0001625500000000, 0.0006725400000000 ] - [ 0.0000000000000000, 0.0002605700000000, 0.0015705100000000 ] - [ 0.0002822200000000, 0.0001625500000000, 0.0006725400000000 ] - [ -0.0001384100000000, 0.0000320800000000, 0.0002442800000000 ] - [ 0.0001384100000000, 0.0000320800000000, 0.0002442800000000 ] - [ 0.0000000000000000, -0.0003257500000000, 0.0006734100000000 ] - [ -0.0002104600000000, 0.0000852600000000, 0.0007065500000000 ] - [ 0.0000000000000000, 0.0000217700000000, 0.0003045700000000 ] - [ 0.0002104600000000, 0.0000852600000000, 0.0007065500000000 ] - [ -0.0000216600000000, -0.0000107700000000, 0.0002981900000000 ] - [ 0.0000216600000000, -0.0000107700000000, 0.0002981900000000 ] - [ 0.0000000000000000, -0.0001952800000000, 0.0006408500000000 ] - [ -0.0000977900000000, 0.0000567800000000, 0.0005349600000000 ] - [ 0.0000000000000000, 0.0000921500000000, 0.0004814200000000 ] - [ 0.0000977900000000, 0.0000567800000000, 0.0005349600000000 ] - [ -0.0000773200000000, -0.0000444500000000, 0.0004826400000000 ] - [ 0.0000000000000000, -0.0001124200000000, 0.0005333600000000 ] - [ 0.0000773200000000, -0.0000444500000000, 0.0004826400000000 ] - [ 0.0000000000000000, -0.0000196200000000, 0.0008520400000000 ] - [ -0.0000896700000000, 0.0000520500000000, 0.0004941700000000 ] - [ 0.0000896700000000, 0.0000520500000000, 0.0004941700000000 ] - [ 0.0000176800000000, 0.0000108600000000, 0.0008533400000000 ] - [ -0.0000176800000000, 0.0000108600000000, 0.0008533400000000 ] - [ 0.0000000000000000, -0.0001052700000000, 0.0004946200000000 ] - [ 0.0000083000000000, -0.0000048900000000, 0.0006384800000000 ] - [ 0.0000000000000000, -0.0001348500000000, 0.0008409000000000 ] - [ 0.0001174400000000, 0.0000683100000000, 0.0008420200000000 ] - [ -0.0000083000000000, -0.0000048900000000, 0.0006384800000000 ] - [ -0.0001174400000000, 0.0000683100000000, 0.0008420200000000 ] - [ 0.0000000000000000, 0.0000084500000000, 0.0006400300000000 ]- atom: 86 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000005300000000, 0.0007171600000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0005449300000000 ] - [ 0.0000000000000000, 0.0000005500000000, 0.0004582500000000 ] - [ 0.0000000000000000, -0.0002301000000000, 0.0005619800000000 ] - [ 0.0000000000000000, 0.0002305100000000, -0.0096756900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0007214200000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0005479800000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0004542800000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0006751300000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0007431300000000 ] - [ 0.0000000000000000, -0.0001249000000000, 0.0006019300000000 ] - [ 0.0000000000000000, 0.0000343700000000, 0.0005544700000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0004576700000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0006757300000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0007444000000000 ] - [ 0.0000000000000000, 0.0005973300000000, -0.0106116300000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0013086900000000 ] - [ 0.0000000000000000, -0.0000050400000000, 0.0013700200000000 ] - [ 0.0000000000000000, 0.0000761900000000, 0.0013677200000000 ] - [ 0.0000000000000000, -0.0004156400000000, -0.0100587100000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0014793000000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0013030700000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0013641500000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0013541000000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0011313700000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0014796200000000 ] - [ 0.0000000000000000, -0.0000058000000000, 0.0013091900000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0013683800000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0013587700000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0011290300000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0005610900000000 ] - [ 0.0000000000000000, -0.0000010300000000, 0.0003594700000000 ] - [ 0.0000000000000000, 0.0000086700000000, 0.0005263300000000 ] - [ 0.0000000000000000, 0.0011908700000000, -0.0000910800000000 ] - [ 0.0000000000000000, -0.0015260100000000, -0.0094134900000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0005623800000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0003577900000000 ] - [ 0.0000000000000000, -0.0000014000000000, 0.0005266400000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0003627500000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0005425200000000 ] - [ 0.0000000000000000, 0.0000094600000000, 0.0005604800000000 ] - [ 0.0000000000000000, 0.0000004400000000, 0.0003598500000000 ] - [ 0.0000000000000000, -0.0000016000000000, 0.0005286800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0003604600000000 ] - [ 0.0000000000000000, 0.0000003900000000, 0.0005435000000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0015002700000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0007652400000000 ] - [ 0.0000000000000000, -0.0003107600000000, 0.0014689100000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0003970600000000 ] - [ 0.0000000000000000, 0.0169082500000000, -0.0277838500000000 ] - [ 0.0000000000000000, 0.0000004400000000, 0.0015095700000000 ] - [ 0.0000000000000000, -0.0000003900000000, 0.0007780200000000 ] - [ 0.0000000000000000, 0.0000001200000000, 0.0014123300000000 ] - [ 0.0000000000000000, 0.0000005000000000, 0.0003842900000000 ] - [ 0.0000000000000000, 0.0000005400000000, 0.0013918800000000 ] - [ 0.0000000000000000, 0.0017231900000000, 0.0003476100000000 ] - [ 0.0000000000000000, -0.0002868100000000, 0.0008602400000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0014187700000000 ] - [ 0.0000000000000000, -0.0000009200000000, 0.0003975000000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0013966700000000 ] - [ 0.0037954300000000, 0.0021460200000000, -0.0028085300000000 ] - [ 0.0000000000000000, 0.0001801300000000, -0.0006698100000000 ] - [ -0.0037954300000000, 0.0021460200000000, -0.0028085300000000 ] - [ -0.0001566200000000, -0.0000899300000000, -0.0006699200000000 ] - [ 0.0001566200000000, -0.0000899300000000, -0.0006699200000000 ] - [ 0.0000000000000000, -0.0006274000000000, 0.0028240200000000 ] - [ -0.0000746100000000, 0.0000432200000000, -0.0006040900000000 ] - [ 0.0000000000000000, 0.0002263600000000, -0.0007566000000000 ] - [ 0.0000746100000000, 0.0000432200000000, -0.0006040900000000 ] - [ -0.0001966000000000, -0.0001136900000000, -0.0007578300000000 ] - [ 0.0001966000000000, -0.0001136900000000, -0.0007578300000000 ] - [ 0.0000000000000000, -0.0000846800000000, -0.0006043600000000 ] - [ -0.0001185800000000, 0.0000692000000000, -0.0008052500000000 ] - [ 0.0000000000000000, 0.0000199900000000, -0.0006608500000000 ] - [ 0.0001185800000000, 0.0000692000000000, -0.0008052500000000 ] - [ -0.0000169900000000, -0.0000118400000000, -0.0006474500000000 ] - [ 0.0000000000000000, -0.0001364600000000, -0.0008054400000000 ] - [ 0.0000169900000000, -0.0000118400000000, -0.0006474500000000 ] - [ 0.0000000000000000, -0.0001579000000000, -0.0013794700000000 ] - [ 0.0000365800000000, 0.0000182900000000, -0.0006467600000000 ] - [ -0.0000365800000000, 0.0000182900000000, -0.0006467600000000 ] - [ 0.0000987800000000, -0.0000862200000000, -0.0001495100000000 ] - [ -0.0000987800000000, -0.0000862200000000, -0.0001495100000000 ] - [ 0.0000000000000000, -0.0000063800000000, -0.0005756400000000 ] - [ 0.0061487900000000, 0.0016648100000000, -0.0044355600000000 ] - [ 0.0000000000000000, -0.0273331800000000, 0.0543393000000000 ] - [ 0.0023713400000000, 0.0019308200000000, 0.0125091600000000 ] - [ -0.0061487900000000, 0.0016648100000000, -0.0044355600000000 ] - [ -0.0023713400000000, 0.0019308200000000, 0.0125091600000000 ] - [ 0.0000000000000000, -0.0007985400000000, 0.0035406600000000 ] - [ -0.0000898800000000, 0.0000514500000000, -0.0003665800000000 ] - [ 0.0000000000000000, 0.0001834100000000, -0.0006752000000000 ] - [ 0.0000898800000000, 0.0000514500000000, -0.0003665800000000 ] - [ -0.0001595800000000, -0.0000916800000000, -0.0006753900000000 ] - [ 0.0001595800000000, -0.0000916800000000, -0.0006753900000000 ] - [ 0.0000000000000000, -0.0001040500000000, -0.0003659300000000 ] - [ -0.0000724700000000, 0.0000419600000000, -0.0006081400000000 ] - [ 0.0000000000000000, 0.0002262600000000, -0.0007539900000000 ] - [ 0.0000724700000000, 0.0000419600000000, -0.0006081400000000 ] - [ -0.0001966200000000, -0.0001137600000000, -0.0007554200000000 ] - [ 0.0001966200000000, -0.0001137600000000, -0.0007554200000000 ] - [ 0.0000000000000000, -0.0000821200000000, -0.0006084600000000 ] - [ -0.0001215100000000, 0.0000706500000000, -0.0007989100000000 ] - [ 0.0000000000000000, 0.0000232400000000, -0.0006496200000000 ] - [ 0.0001215100000000, 0.0000706500000000, -0.0007989100000000 ] - [ -0.0000179200000000, -0.0000102800000000, -0.0006484800000000 ] - [ 0.0000000000000000, -0.0001399600000000, -0.0007998500000000 ] - [ 0.0000179200000000, -0.0000102800000000, -0.0006484800000000 ] - [ 0.0000000000000000, 0.0000042100000000, -0.0004770900000000 ] - [ 0.0000034100000000, -0.0000017700000000, -0.0006249100000000 ] - [ -0.0000034100000000, -0.0000017700000000, -0.0006249100000000 ] - [ -0.0000029300000000, -0.0000011100000000, -0.0004760700000000 ] - [ 0.0000029300000000, -0.0000011100000000, -0.0004760700000000 ] - [ 0.0000000000000000, 0.0000019700000000, -0.0006244200000000 ] - [ 0.0001846400000000, -0.0001068500000000, -0.0004140200000000 ] - [ 0.0000000000000000, -0.0001436600000000, -0.0004980500000000 ] - [ 0.0001247200000000, 0.0000723700000000, -0.0004971300000000 ] - [ -0.0001846400000000, -0.0001068500000000, -0.0004140200000000 ] - [ -0.0001247200000000, 0.0000723700000000, -0.0004971300000000 ] - [ 0.0000000000000000, 0.0002120200000000, -0.0004124100000000 ] - [ -0.0000886500000000, 0.0000506900000000, -0.0003699300000000 ] - [ 0.0000000000000000, -0.0001571400000000, -0.0016762400000000 ] - [ 0.0000886500000000, 0.0000506900000000, -0.0003699300000000 ] - [ 0.0000443900000000, -0.0000859500000000, -0.0003329300000000 ] - [ -0.0000443900000000, -0.0000859500000000, -0.0003329300000000 ] - [ 0.0000000000000000, -0.0001020600000000, -0.0003698800000000 ] - [ -0.0000407200000000, 0.0000605600000000, -0.0006257700000000 ] - [ 0.0000000000000000, 0.0002286900000000, -0.0007615900000000 ] - [ 0.0000407200000000, 0.0000605600000000, -0.0006257700000000 ] - [ -0.0001967900000000, -0.0001156300000000, -0.0007578100000000 ] - [ 0.0001967900000000, -0.0001156300000000, -0.0007578100000000 ] - [ 0.0000000000000000, -0.0000924800000000, -0.0005596900000000 ] - [ -0.0001199900000000, 0.0000698600000000, -0.0008050100000000 ] - [ 0.0000000000000000, 0.0000223200000000, -0.0006497500000000 ] - [ 0.0001199900000000, 0.0000698600000000, -0.0008050100000000 ] - [ -0.0000169600000000, -0.0000097700000000, -0.0006484600000000 ] - [ 0.0000000000000000, -0.0001381900000000, -0.0008051800000000 ] - [ 0.0000169600000000, -0.0000097700000000, -0.0006484600000000 ] - [ 0.0000000000000000, 0.0000027500000000, -0.0004753300000000 ] - [ 0.0000063300000000, -0.0000034700000000, -0.0006305400000000 ] - [ -0.0000063300000000, -0.0000034700000000, -0.0006305400000000 ] - [ -0.0000018700000000, -0.0000005400000000, -0.0004741000000000 ] - [ 0.0000018700000000, -0.0000005400000000, -0.0004741000000000 ] - [ 0.0000000000000000, 0.0000055600000000, -0.0006301200000000 ] - [ 0.0001876900000000, -0.0001085800000000, -0.0004176300000000 ] - [ 0.0000000000000000, -0.0001454400000000, -0.0004955300000000 ] - [ 0.0001264600000000, 0.0000733700000000, -0.0004944400000000 ] - [ -0.0001876900000000, -0.0001085800000000, -0.0004176300000000 ] - [ -0.0001264600000000, 0.0000733700000000, -0.0004944400000000 ] - [ 0.0000000000000000, 0.0002154700000000, -0.0004163400000000 ]