# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2c30f0d3-12ab-4798-bd4a-ca522f4538d4/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 CdI2 / P3m1 (156) / materials id 669340](https://mdr.nims.go.jp/datasets/ce13184c-ef44-46a8-9155-797ac030a761) ## 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: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221899120000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110949560000000, 3.656271900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 95.851227530000003 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.803571830000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.160720640000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.946433570000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.589290110000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.089290820000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.732145240000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.660714310000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.303571250000000 ] mass: 112.411000 - symbol: Cd # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.017863340000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.446428870000000 ] mass: 112.411000 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.517857620000000 ] mass: 112.411000 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.374992150000000 ] mass: 112.411000 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.874995580000000 ] mass: 112.411000 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.232143370000000 ] mass: 112.411000 - symbol: I # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.928642900000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.642927810000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214353720000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.178503880000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.392776680000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.071500970000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.464213370000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.821358150000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.535642120000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.107075460000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.892782090000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.964220380000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.321355180000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.249928070000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.142931150000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.571500610000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.357202930000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000073980000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.785784350000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285781770000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.857209100000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.678497640000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.035647390000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500068230000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749931670000000 ] mass: 126.904470 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714358810000000 ] mass: 126.904470 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428638770000000 ] mass: 126.904470 - symbol: I # 42 coordinates: [ 0.333333330000000, 0.666666670000000, 0.607074180000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236860230805325, 0.136751317646808, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273502635293617, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.010432834568415 ] # c*unit_cell: lattice: - [ 4.221899120000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110949560000000, 3.656271900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 95.851227530000003 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.803571830000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.160720640000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.946433570000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.589290110000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.089290820000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.732145240000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.660714310000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.303571250000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.017863340000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.446428870000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.517857620000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.374992150000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.874995580000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.232143370000000 ] mass: 112.411000 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.928642900000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.642927810000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214353720000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.178503880000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.392776680000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.071500970000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.464213370000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.821358150000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.535642120000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.107075460000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.892782090000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.964220380000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.321355180000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.249928070000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.142931150000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.571500610000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.357202930000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000073980000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.785784350000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285781770000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.857209100000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.678497640000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.035647390000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500068230000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749931670000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714358810000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428638770000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.333333330000000, 0.666666670000000, 0.607074180000000 ] mass: 126.904470 reduced_to: 42supercell: lattice: - [ 4.221899120000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110949560000000, 3.656271900000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 95.851227530000003 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.803571830000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.160720640000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.946433570000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.589290110000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.089290820000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.732145240000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.660714310000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.303571250000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.017863340000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.446428870000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.517857620000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.374992150000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.874995580000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.232143370000000 ] mass: 112.411000 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.928642900000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.642927810000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214353720000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.178503880000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.392776680000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.071500970000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.464213370000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.821358150000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.535642120000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.107075460000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.892782090000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.964220380000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.321355180000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.249928070000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.142931150000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.571500610000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.357202930000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000073980000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.785784350000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285781770000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.857209100000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.678497640000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.035647390000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500068230000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.749931670000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714358810000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428638770000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.333333330000000, 0.666666670000000, 0.607074180000000 ] mass: 126.904470 reduced_to: 42displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0215486600000000, -0.0000509900000000, -0.0000171000000000 ] - [ -0.0000002200000000, 0.0000017500000000, 0.0000638100000000 ] - [ 0.0000020500000000, 0.0000007900000000, -0.0000378700000000 ] - [ -0.0000013000000000, 0.0000017000000000, 0.0000740000000000 ] - [ 0.0000017600000000, 0.0000007600000000, 0.0000599200000000 ] - [ 0.0000358100000000, 0.0000012000000000, -0.0001755300000000 ] - [ 0.0000024700000000, 0.0000007900000000, 0.0000219700000000 ] - [ 0.0000015600000000, 0.0000017700000000, -0.0000811600000000 ] - [ -0.0000013100000000, 0.0000018200000000, 0.0002158800000000 ] - [ -0.0000001500000000, 0.0000017200000000, -0.0001275700000000 ] - [ 0.0000018400000000, 0.0000007500000000, 0.0000094700000000 ] - [ 0.0000032400000000, 0.0000007700000000, 0.0000322100000000 ] - [ 0.0000357400000000, 0.0000009300000000, -0.0000588000000000 ] - [ 0.0000038000000000, 0.0000007400000000, 0.0000212700000000 ] - [ 0.0000006200000000, 0.0000015600000000, 0.0000354800000000 ] - [ 0.0000012400000000, 0.0000012600000000, 0.0000671500000000 ] - [ 0.0000012200000000, 0.0000013900000000, 0.0000951600000000 ] - [ 0.0000001000000000, 0.0000012000000000, 0.0001030600000000 ] - [ 0.0000014700000000, 0.0000010800000000, 0.0001304000000000 ] - [ 0.0000004600000000, 0.0000014300000000, -0.0000549500000000 ] - [ -0.0000007400000000, 0.0000012200000000, -0.0000460900000000 ] - [ 0.0107600000000000, -0.0002033400000000, 0.0002905500000000 ] - [ 0.0000007200000000, 0.0000011300000000, -0.0001044400000000 ] - [ 0.0000001700000000, 0.0000010300000000, -0.0000692200000000 ] - [ 0.0000225700000000, 0.0000012400000000, -0.0000760300000000 ] - [ 0.0000016500000000, 0.0000009700000000, 0.0000302000000000 ] - [ -0.0000003500000000, 0.0000012100000000, -0.0000262000000000 ] - [ 0.0000003700000000, 0.0000010700000000, 0.0000749300000000 ] - [ 0.0000024400000000, 0.0000011900000000, 0.0001180000000000 ] - [ 0.0000025700000000, 0.0000015600000000, -0.0000370200000000 ] - [ 0.0000001300000000, 0.0000013500000000, 0.0001440000000000 ] - [ 0.0000023400000000, 0.0000012500000000, 0.0001064400000000 ] - [ 0.0109528900000000, 0.0002057900000000, -0.0001971800000000 ] - [ 0.0000022200000000, 0.0000011500000000, -0.0000145400000000 ] - [ -0.0000738700000000, 0.0000019600000000, -0.0000643900000000 ] - [ 0.0000007600000000, 0.0000012800000000, 0.0000416500000000 ] - [ -0.0000018200000000, 0.0000011900000000, 0.0000933700000000 ] - [ -0.0000000700000000, 0.0000013300000000, -0.0000951100000000 ] - [ -0.0001873200000000, 0.0000014500000000, -0.0002378200000000 ] - [ -0.0000295900000000, 0.0000012200000000, -0.0002230500000000 ] - [ 0.0000018000000000, 0.0000011300000000, -0.0000323100000000 ] - [ 0.0000013800000000, 0.0000012000000000, -0.0000525600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0610417400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007774600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007768200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005909800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007363700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006339000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003202900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002638000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004022200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004454000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003229100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002401200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003932600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002158300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003134100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002610600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003516900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004076500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0611055300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006585400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009413700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005024600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007111800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004563400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003098400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003778600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003264100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004743900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302496100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004442200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001196700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003199900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003029100000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011300000000, -0.0000012700000000, -0.0000222200000000 ] - [ -0.0215331700000000, 0.0000326400000000, 0.0000935600000000 ] - [ -0.0000000400000000, -0.0000012300000000, -0.0000375000000000 ] - [ 0.0000011600000000, -0.0000002900000000, 0.0000713400000000 ] - [ 0.0000361500000000, -0.0000015700000000, 0.0000582200000000 ] - [ -0.0000004300000000, -0.0000006600000000, -0.0001719300000000 ] - [ 0.0000028300000000, -0.0000012800000000, 0.0000218900000000 ] - [ 0.0000002600000000, -0.0000002900000000, -0.0000832400000000 ] - [ 0.0000000800000000, -0.0000000700000000, 0.0002115400000000 ] - [ -0.0000003900000000, -0.0000002000000000, -0.0001298600000000 ] - [ 0.0000010000000000, -0.0000012400000000, 0.0000087300000000 ] - [ -0.0000001400000000, -0.0000012500000000, 0.0000309100000000 ] - [ -0.0000010400000000, -0.0000008000000000, -0.0000539500000000 ] - [ 0.0000364200000000, -0.0000013600000000, 0.0000191100000000 ] - [ 0.0000018400000000, -0.0000008600000000, 0.0000359300000000 ] - [ 0.0000013000000000, -0.0000008200000000, 0.0000601800000000 ] - [ -0.0001883200000000, -0.0000005300000000, 0.0000922700000000 ] - [ 0.0109729300000000, 0.0002037700000000, 0.0003518200000000 ] - [ -0.0000020300000000, -0.0000009100000000, 0.0001334000000000 ] - [ 0.0000221900000000, -0.0000005600000000, -0.0000560500000000 ] - [ -0.0000004400000000, -0.0000007600000000, -0.0000424300000000 ] - [ -0.0000009000000000, -0.0000008300000000, 0.0000462600000000 ] - [ -0.0000002600000000, -0.0000009000000000, -0.0001004700000000 ] - [ -0.0000745900000000, -0.0000003000000000, -0.0000694700000000 ] - [ 0.0000010400000000, -0.0000006900000000, -0.0000746600000000 ] - [ 0.0000011600000000, -0.0000010400000000, 0.0000301000000000 ] - [ 0.0000008500000000, -0.0000007600000000, -0.0000236800000000 ] - [ -0.0000302200000000, -0.0000010200000000, 0.0000771300000000 ] - [ 0.0107449300000000, -0.0002050600000000, -0.0001319900000000 ] - [ 0.0000010300000000, -0.0000010800000000, -0.0000451300000000 ] - [ 0.0000014400000000, -0.0000006700000000, 0.0001390900000000 ] - [ 0.0000014600000000, -0.0000007800000000, 0.0001058500000000 ] - [ 0.0000010600000000, -0.0000005400000000, 0.0000459600000000 ] - [ 0.0000003900000000, -0.0000008600000000, -0.0000181000000000 ] - [ 0.0000000600000000, -0.0000007800000000, -0.0000673900000000 ] - [ -0.0000003000000000, -0.0000005900000000, 0.0000480400000000 ] - [ 0.0000000900000000, -0.0000008400000000, 0.0000931500000000 ] - [ 0.0000016600000000, -0.0000007000000000, -0.0001008600000000 ] - [ -0.0000007200000000, -0.0000005600000000, -0.0002331300000000 ] - [ 0.0000003100000000, -0.0000007900000000, -0.0002284500000000 ] - [ 0.0000003300000000, -0.0000008600000000, -0.0000366200000000 ] - [ -0.0000001100000000, -0.0000008200000000, -0.0000473300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608553200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005368100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005875100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007208600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007443000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007856400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003156900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304099700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002263600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004639700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003290900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002990200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003744100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004218600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004551500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005993700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004088800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611794200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007084600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008001500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008477400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006843300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003915500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004239100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002098700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003154300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003060500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000369400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002773500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005012600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003415900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002920000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003976900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001304700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002984800000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000020700000000, 0.0000007600000000, -0.0000212700000000 ] - [ -0.0000012800000000, 0.0000017500000000, 0.0000631400000000 ] - [ -0.0215717300000000, -0.0000508600000000, -0.0000432400000000 ] - [ -0.0000002100000000, 0.0000017300000000, 0.0000723400000000 ] - [ 0.0000021900000000, 0.0000007400000000, 0.0000593000000000 ] - [ -0.0000004900000000, 0.0000013800000000, -0.0001709800000000 ] - [ 0.0000018300000000, 0.0000007400000000, 0.0000228200000000 ] - [ -0.0000002500000000, 0.0000017100000000, -0.0000822500000000 ] - [ 0.0000350000000000, 0.0000020200000000, 0.0002126900000000 ] - [ 0.0000015600000000, 0.0000018300000000, -0.0001288500000000 ] - [ 0.0000035300000000, 0.0000007600000000, 0.0000096300000000 ] - [ 0.0000034800000000, 0.0000007700000000, 0.0000318700000000 ] - [ 0.0000357900000000, 0.0000011100000000, -0.0000532500000000 ] - [ 0.0000018700000000, 0.0000007700000000, 0.0000200000000000 ] - [ 0.0109426500000000, 0.0002056700000000, -0.0002112300000000 ] - [ -0.0000001500000000, 0.0000012100000000, 0.0000611800000000 ] - [ 0.0000005000000000, 0.0000014100000000, 0.0000928300000000 ] - [ -0.0000017200000000, 0.0000012000000000, 0.0001051500000000 ] - [ 0.0000004300000000, 0.0000011200000000, 0.0001341600000000 ] - [ 0.0000004700000000, 0.0000014900000000, -0.0000549000000000 ] - [ -0.0000003000000000, 0.0000012900000000, -0.0000417300000000 ] - [ 0.0000006700000000, 0.0000012000000000, 0.0000470200000000 ] - [ 0.0000013500000000, 0.0000011300000000, -0.0000998500000000 ] - [ 0.0000015300000000, 0.0000010000000000, -0.0000686000000000 ] - [ -0.0001868400000000, 0.0000013900000000, -0.0000744100000000 ] - [ 0.0109614800000000, -0.0002032900000000, 0.0002777400000000 ] - [ 0.0000001000000000, 0.0000012500000000, -0.0000228600000000 ] - [ 0.0000002100000000, 0.0000010700000000, 0.0000779400000000 ] - [ 0.0000022700000000, 0.0000012800000000, 0.0001166000000000 ] - [ 0.0000017300000000, 0.0000009400000000, -0.0000441000000000 ] - [ 0.0000012200000000, 0.0000013600000000, 0.0001402500000000 ] - [ -0.0001870300000000, 0.0000011900000000, 0.0001075200000000 ] - [ 0.0000014100000000, 0.0000014800000000, 0.0000470800000000 ] - [ 0.0000025100000000, 0.0000011700000000, -0.0000170300000000 ] - [ -0.0000293700000000, 0.0000012100000000, -0.0000661500000000 ] - [ 0.0000010100000000, 0.0000014000000000, 0.0000489600000000 ] - [ -0.0000299900000000, 0.0000012300000000, 0.0000938200000000 ] - [ 0.0000002100000000, 0.0000013300000000, -0.0000996400000000 ] - [ 0.0000019500000000, 0.0000014400000000, -0.0002324000000000 ] - [ -0.0000013300000000, 0.0000012500000000, -0.0002272300000000 ] - [ 0.0000021800000000, 0.0000011600000000, -0.0000353900000000 ] - [ -0.0000005200000000, 0.0000012400000000, -0.0000467000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007028200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007844600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611370900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007822800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005457200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007413700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006387600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007140300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002911300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002221800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004105100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003135400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004222100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003944800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000107800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003016000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003713300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003143200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002781600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004535800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004082100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007454600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006425100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008930900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006906100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008285800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002501900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000471200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003325100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004787700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003206800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005047100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002241300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004060600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003101700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002664300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003290300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003053300000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001100000000, -0.0000013200000000, -0.0000206700000000 ] - [ 0.0000013800000000, -0.0000003400000000, 0.0000635900000000 ] - [ 0.0000011000000000, -0.0000013100000000, -0.0000359800000000 ] - [ -0.0215362400000000, 0.0000350800000000, 0.0000397300000000 ] - [ 0.0000029700000000, -0.0000013600000000, 0.0000598200000000 ] - [ -0.0000005300000000, -0.0000007300000000, -0.0001703800000000 ] - [ 0.0000364100000000, -0.0000014400000000, 0.0000235300000000 ] - [ -0.0000001400000000, -0.0000003800000000, -0.0000817500000000 ] - [ 0.0000015700000000, -0.0000001700000000, 0.0002131200000000 ] - [ 0.0000003100000000, -0.0000002800000000, -0.0001283500000000 ] - [ 0.0000362900000000, -0.0000016100000000, 0.0000100400000000 ] - [ 0.0000000100000000, -0.0000013200000000, 0.0000323100000000 ] - [ -0.0000009700000000, -0.0000008700000000, -0.0000524200000000 ] - [ 0.0000013800000000, -0.0000013400000000, 0.0000204900000000 ] - [ 0.0000018400000000, -0.0000004800000000, 0.0000361100000000 ] - [ -0.0001896400000000, -0.0000008100000000, 0.0000624900000000 ] - [ 0.0000011400000000, -0.0000006700000000, 0.0000933700000000 ] - [ 0.0000010000000000, -0.0000008800000000, 0.0001058500000000 ] - [ 0.0000013300000000, -0.0000009700000000, 0.0001348500000000 ] - [ 0.0000015700000000, -0.0000006000000000, -0.0000543900000000 ] - [ 0.0000002600000000, -0.0000008100000000, -0.0000410200000000 ] - [ -0.0000018800000000, -0.0000009000000000, 0.0000476400000000 ] - [ -0.0000744800000000, -0.0000002300000000, -0.0000994100000000 ] - [ -0.0000004700000000, -0.0000010900000000, -0.0000678300000000 ] - [ 0.0000001700000000, -0.0000007800000000, -0.0000733400000000 ] - [ -0.0000000400000000, -0.0000011100000000, 0.0000313500000000 ] - [ 0.0000001600000000, -0.0000008300000000, -0.0000221900000000 ] - [ -0.0000008100000000, -0.0000010300000000, 0.0000785700000000 ] - [ 0.0000002000000000, -0.0000008100000000, 0.0001171300000000 ] - [ 0.0107447300000000, -0.0002054800000000, -0.0002909300000000 ] - [ 0.0000020700000000, -0.0000007500000000, 0.0001432900000000 ] - [ 0.0000013600000000, -0.0000008400000000, 0.0001074700000000 ] - [ 0.0000016600000000, -0.0000006100000000, 0.0000476200000000 ] - [ 0.0000000600000000, -0.0000009200000000, -0.0000164700000000 ] - [ 0.0000006900000000, -0.0000008400000000, -0.0000656800000000 ] - [ -0.0000273600000000, -0.0000007200000000, 0.0000492600000000 ] - [ -0.0000001500000000, -0.0000009300000000, 0.0000945200000000 ] - [ 0.0000223400000000, -0.0000007900000000, -0.0000990300000000 ] - [ 0.0000015500000000, -0.0000006400000000, -0.0002319200000000 ] - [ -0.0000021300000000, -0.0000008500000000, -0.0002266900000000 ] - [ 0.0000014700000000, -0.0000009300000000, -0.0000349300000000 ] - [ 0.0109697400000000, 0.0002037200000000, 0.0002012400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006936900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005452000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006371900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005915000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007486000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006582500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007370400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002621900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002200700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004149600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003934000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001325400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002760100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002417400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002534500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004200300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002527700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005896800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005782400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302610100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006531500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007523500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610032800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008904800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007942900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007543700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007700500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006897000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004582800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004041600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002877600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003901900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003294200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004795300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005044100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004493300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003285700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301424700000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000014800000000, 0.0000003700000000, -0.0000207500000000 ] - [ 0.0000346900000000, 0.0000014600000000, 0.0000637300000000 ] - [ 0.0000018800000000, 0.0000003900000000, -0.0000359700000000 ] - [ 0.0000012100000000, 0.0000013500000000, 0.0000729300000000 ] - [ -0.0215315200000000, -0.0000348200000000, 0.0000295200000000 ] - [ 0.0000002400000000, 0.0000009800000000, -0.0001704400000000 ] - [ 0.0000032100000000, 0.0000003700000000, 0.0000234000000000 ] - [ -0.0000015900000000, 0.0000013300000000, -0.0000817100000000 ] - [ 0.0000346500000000, 0.0000018300000000, 0.0002130100000000 ] - [ -0.0000006000000000, 0.0000014400000000, -0.0001283100000000 ] - [ 0.0000032000000000, 0.0000003900000000, 0.0000102000000000 ] - [ 0.0000015000000000, 0.0000003800000000, 0.0000324300000000 ] - [ -0.0000007000000000, 0.0000008200000000, -0.0000525400000000 ] - [ 0.0000020500000000, 0.0000003900000000, 0.0000205600000000 ] - [ 0.0000012400000000, 0.0000012300000000, 0.0000364700000000 ] - [ -0.0000002400000000, 0.0000008100000000, 0.0000621300000000 ] - [ 0.0000001200000000, 0.0000010300000000, 0.0000934200000000 ] - [ -0.0000301200000000, 0.0000008900000000, 0.0001057400000000 ] - [ -0.0000001000000000, 0.0000007400000000, 0.0001346300000000 ] - [ 0.0107429500000000, 0.0002054200000000, -0.0003018100000000 ] - [ -0.0000001900000000, 0.0000008800000000, -0.0000412700000000 ] - [ 0.0000004300000000, 0.0000008000000000, 0.0000474600000000 ] - [ -0.0000000500000000, 0.0000007800000000, -0.0000994600000000 ] - [ 0.0109663700000000, -0.0002038800000000, 0.0001793000000000 ] - [ 0.0000015400000000, 0.0000009400000000, -0.0000735200000000 ] - [ 0.0000004300000000, 0.0000006000000000, 0.0000310100000000 ] - [ -0.0000021200000000, 0.0000008700000000, -0.0000223500000000 ] - [ 0.0000012400000000, 0.0000006800000000, 0.0000784300000000 ] - [ -0.0001875800000000, 0.0000008300000000, 0.0001177300000000 ] - [ 0.0000017900000000, 0.0000005600000000, -0.0000432500000000 ] - [ 0.0000001700000000, 0.0000009700000000, 0.0001409300000000 ] - [ 0.0000227800000000, 0.0000009000000000, 0.0001077000000000 ] - [ -0.0000002700000000, 0.0000011000000000, 0.0000477200000000 ] - [ 0.0000020400000000, 0.0000007700000000, -0.0000163900000000 ] - [ -0.0000016400000000, 0.0000008600000000, -0.0000654500000000 ] - [ 0.0000014400000000, 0.0000010100000000, 0.0000491100000000 ] - [ -0.0000746000000000, 0.0000000600000000, 0.0000941000000000 ] - [ 0.0000009800000000, 0.0000009200000000, -0.0000988500000000 ] - [ 0.0000018000000000, 0.0000010600000000, -0.0002320500000000 ] - [ 0.0000002700000000, 0.0000008500000000, -0.0002265000000000 ] - [ 0.0000021000000000, 0.0000007900000000, -0.0000346900000000 ] - [ -0.0000004700000000, 0.0000008500000000, -0.0000463500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006957300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007910700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006354300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009830800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005885100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007307400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006591200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007430200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003208400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002989300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002663300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002161400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003051700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003163100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003725200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002693700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002176700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003087400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004236100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000700200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004577600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005834500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003938500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003979100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007550000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008855000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006927700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007931800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007076500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006804600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007694400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004223100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004522400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303105100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003330400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004329400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003437600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004068600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002616300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001254600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003083400000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000345500000000, -0.0000001700000000, -0.0000229800000000 ] - [ -0.0000028200000000, 0.0000005300000000, 0.0000639300000000 ] - [ -0.0000016700000000, -0.0000004400000000, -0.0000377500000000 ] - [ -0.0000031200000000, 0.0000004900000000, 0.0000741900000000 ] - [ -0.0000005200000000, -0.0000004500000000, 0.0000599200000000 ] - [ -0.0214603300000000, -0.0000001700000000, -0.0001702900000000 ] - [ 0.0000345400000000, -0.0000003400000000, 0.0000220400000000 ] - [ -0.0000029500000000, 0.0000005400000000, -0.0000810400000000 ] - [ -0.0000035800000000, 0.0000006000000000, 0.0002159500000000 ] - [ -0.0000036300000000, 0.0000005000000000, -0.0001274100000000 ] - [ -0.0000016300000000, -0.0000004800000000, 0.0000095800000000 ] - [ -0.0000006700000000, -0.0000004300000000, 0.0000323800000000 ] - [ -0.0000005500000000, 0.0000000200000000, -0.0000589300000000 ] - [ 0.0000012500000000, -0.0000004700000000, 0.0000214000000000 ] - [ -0.0000006000000000, 0.0000003400000000, 0.0000356200000000 ] - [ -0.0000296600000000, 0.0000001100000000, 0.0000671700000000 ] - [ -0.0000024500000000, 0.0000001700000000, 0.0000952900000000 ] - [ -0.0000017900000000, -0.0000000100000000, 0.0001031400000000 ] - [ 0.0000002100000000, -0.0000001300000000, 0.0001304300000000 ] - [ -0.0000027900000000, 0.0000002200000000, -0.0000548100000000 ] - [ -0.0000016100000000, -0.0000000100000000, -0.0000460600000000 ] - [ 0.0000208100000000, -0.0000000200000000, 0.0000429100000000 ] - [ 0.0000000800000000, -0.0000000800000000, -0.0001044300000000 ] - [ -0.0000004200000000, -0.0000001800000000, -0.0000690900000000 ] - [ -0.0000006800000000, 0.0000000500000000, -0.0000759200000000 ] - [ 0.0000003200000000, 0.0000002100000000, 0.0000286800000000 ] - [ -0.0000009800000000, -0.0000000100000000, -0.0000261600000000 ] - [ -0.0000000100000000, -0.0000001400000000, 0.0000749800000000 ] - [ -0.0000019900000000, -0.0000000300000000, 0.0001181300000000 ] - [ 0.0000000700000000, -0.0000001200000000, -0.0000385500000000 ] - [ -0.0000020200000000, 0.0000001400000000, 0.0001441600000000 ] - [ -0.0000001000000000, 0.0000000300000000, 0.0001065600000000 ] - [ -0.0000762100000000, -0.0000005300000000, 0.0000503600000000 ] - [ -0.0000001000000000, -0.0000000700000000, -0.0000143900000000 ] - [ -0.0000011000000000, 0.0000000300000000, -0.0000643800000000 ] - [ -0.0001902700000000, 0.0000000000000000, 0.0000412600000000 ] - [ -0.0000020500000000, -0.0000000100000000, 0.0000934800000000 ] - [ -0.0000039200000000, 0.0000001100000000, -0.0000949800000000 ] - [ 0.0107571900000000, 0.0002046800000000, 0.0000104300000000 ] - [ 0.0109565800000000, -0.0002043700000000, -0.0004701000000000 ] - [ -0.0000010800000000, -0.0000000900000000, -0.0000321600000000 ] - [ -0.0000043400000000, -0.0000000200000000, -0.0000525500000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007429200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007911200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611672700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007857800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006334100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005859100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007236300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006589500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003220600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002653600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003264300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004570800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004215100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004348900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300314800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004055500000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007510100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006395900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006499600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0606676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007368500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007920800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004949900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007006900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007704500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004583600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004613200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004889900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003139900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002558900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002861800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003817900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004336600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003215600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003472700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004526000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002654900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305205500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003086800000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000021600000000, 0.0000003600000000, -0.0000237300000000 ] - [ 0.0000012600000000, 0.0000013500000000, 0.0000632400000000 ] - [ 0.0000014400000000, 0.0000003900000000, -0.0000384300000000 ] - [ 0.0000345600000000, 0.0000016000000000, 0.0000733100000000 ] - [ 0.0000031400000000, 0.0000003800000000, 0.0000592600000000 ] - [ 0.0000353500000000, 0.0000006100000000, -0.0001758700000000 ] - [ -0.0215113400000000, -0.0000338100000000, 0.0000537700000000 ] - [ -0.0000005400000000, 0.0000013600000000, -0.0000817600000000 ] - [ -0.0000006500000000, 0.0000014200000000, 0.0002152800000000 ] - [ -0.0000016500000000, 0.0000013200000000, -0.0001281600000000 ] - [ 0.0000019900000000, 0.0000003600000000, 0.0000088100000000 ] - [ 0.0000015100000000, 0.0000003800000000, 0.0000316500000000 ] - [ -0.0000008200000000, 0.0000008300000000, -0.0000595600000000 ] - [ 0.0000031200000000, 0.0000003300000000, 0.0000207000000000 ] - [ 0.0000001900000000, 0.0000011600000000, 0.0000349400000000 ] - [ 0.0107522200000000, 0.0002054400000000, -0.0001812200000000 ] - [ -0.0000002200000000, 0.0000009800000000, 0.0000946000000000 ] - [ -0.0000007300000000, 0.0000008000000000, 0.0001024500000000 ] - [ 0.0000003100000000, 0.0000006900000000, 0.0001297600000000 ] - [ 0.0000008700000000, 0.0000010300000000, -0.0000555100000000 ] - [ 0.0000010200000000, 0.0000008100000000, -0.0000467200000000 ] - [ 0.0000013700000000, 0.0000007700000000, 0.0000421900000000 ] - [ 0.0000004300000000, 0.0000007300000000, -0.0001050800000000 ] - [ -0.0000000100000000, 0.0000006400000000, -0.0000698000000000 ] - [ 0.0000018000000000, 0.0000004200000000, -0.0000782900000000 ] - [ -0.0000002400000000, 0.0000005800000000, 0.0000296100000000 ] - [ -0.0000010900000000, 0.0000008200000000, -0.0000268500000000 ] - [ 0.0000010700000000, 0.0000006600000000, 0.0000742900000000 ] - [ 0.0000018700000000, 0.0000007900000000, 0.0001174400000000 ] - [ 0.0000227400000000, 0.0000007300000000, -0.0000392000000000 ] - [ -0.0000004200000000, 0.0000009500000000, 0.0001434900000000 ] - [ 0.0000021100000000, 0.0000008500000000, 0.0001058800000000 ] - [ 0.0000002100000000, 0.0000010500000000, 0.0000494700000000 ] - [ 0.0000014500000000, 0.0000007500000000, -0.0000150700000000 ] - [ 0.0000014700000000, 0.0000008500000000, -0.0000650800000000 ] - [ 0.0107674300000000, -0.0002038800000000, 0.0002889900000000 ] - [ -0.0000002600000000, 0.0000008000000000, 0.0000927800000000 ] - [ 0.0000010600000000, 0.0000009400000000, -0.0000956400000000 ] - [ 0.0000223600000000, 0.0000009600000000, -0.0002380000000000 ] - [ -0.0000740100000000, 0.0000015600000000, -0.0002233600000000 ] - [ 0.0000022200000000, 0.0000011900000000, -0.0000311800000000 ] - [ -0.0000747300000000, 0.0000000700000000, -0.0000534000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007247500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006498600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007327700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300962000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004136800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004027400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004340800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002788500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004090600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003045300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003717200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302988800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002640000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006067100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002622700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003859000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000880900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007571900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006913200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611821200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007112300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004798500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002998200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003057400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002722900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004998600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003997200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002883600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003214500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000178300000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000032900000000, -0.0000017100000000, -0.0000215600000000 ] - [ 0.0000006800000000, -0.0000007300000000, 0.0000626300000000 ] - [ 0.0000015400000000, -0.0000016800000000, -0.0000369100000000 ] - [ 0.0000000700000000, -0.0000007400000000, 0.0000720100000000 ] - [ 0.0000004000000000, -0.0000017200000000, 0.0000588700000000 ] - [ -0.0000000500000000, -0.0000011000000000, -0.0001713700000000 ] - [ 0.0000014300000000, -0.0000017200000000, 0.0000224800000000 ] - [ -0.0215477600000000, 0.0000507800000000, -0.0000767200000000 ] - [ 0.0000001300000000, -0.0000005400000000, 0.0002122500000000 ] - [ 0.0000004500000000, -0.0000006300000000, -0.0001292200000000 ] - [ 0.0000003900000000, -0.0000016800000000, 0.0000093600000000 ] - [ 0.0000366500000000, -0.0000018000000000, 0.0000316000000000 ] - [ 0.0000001200000000, -0.0000012600000000, -0.0000534200000000 ] - [ 0.0000367600000000, -0.0000019900000000, 0.0000194000000000 ] - [ 0.0000015700000000, -0.0000008500000000, 0.0000352300000000 ] - [ 0.0000019600000000, -0.0000012600000000, 0.0000611200000000 ] - [ 0.0000226300000000, -0.0000010900000000, 0.0000925800000000 ] - [ 0.0000006200000000, -0.0000012600000000, 0.0001048900000000 ] - [ -0.0000297200000000, -0.0000013900000000, 0.0001338700000000 ] - [ 0.0000022700000000, -0.0000014300000000, -0.0000535700000000 ] - [ 0.0000013600000000, -0.0000011900000000, -0.0000420500000000 ] - [ -0.0000001200000000, -0.0000012600000000, 0.0000466500000000 ] - [ -0.0000017200000000, -0.0000013500000000, -0.0001002400000000 ] - [ 0.0000015900000000, -0.0000014600000000, -0.0000688100000000 ] - [ -0.0000004300000000, -0.0000011400000000, -0.0000742900000000 ] - [ -0.0000005600000000, -0.0000014600000000, 0.0000303800000000 ] - [ 0.0109701400000000, 0.0002033500000000, 0.0002242000000000 ] - [ -0.0000740400000000, -0.0000006800000000, 0.0000774500000000 ] - [ 0.0000018200000000, -0.0000011900000000, 0.0001163600000000 ] - [ 0.0000007200000000, -0.0000015300000000, -0.0000442100000000 ] - [ -0.0001879700000000, -0.0000010500000000, 0.0001404000000000 ] - [ 0.0000004200000000, -0.0000012100000000, 0.0001066200000000 ] - [ 0.0000019300000000, -0.0000009800000000, 0.0000467400000000 ] - [ 0.0107454600000000, -0.0002056300000000, -0.0002648800000000 ] - [ 0.0000008100000000, -0.0000012100000000, -0.0000665000000000 ] - [ 0.0000006100000000, -0.0000010400000000, 0.0000483400000000 ] - [ 0.0000004800000000, -0.0000013000000000, 0.0000935300000000 ] - [ 0.0000019500000000, -0.0000011300000000, -0.0000998800000000 ] - [ 0.0000016800000000, -0.0000010100000000, -0.0002328500000000 ] - [ 0.0000015400000000, -0.0000012200000000, -0.0002275300000000 ] - [ 0.0000007100000000, -0.0000013000000000, -0.0000358000000000 ] - [ 0.0000001700000000, -0.0000012200000000, -0.0000471400000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006917400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007806500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006793400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007737400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007319200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005933400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007236500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007875500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002909400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002498600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004082500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003989300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003164100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000226000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002534600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003045700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003183400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002602500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003906900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004069200000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008924500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006905000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008506300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007363600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007758200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007476100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003864600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004204900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004625700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003056900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003838600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003161800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002563200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302767600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002601000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001193600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001275900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003214700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003008100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004200000000, -0.0000009000000000, -0.0000213600000000 ] - [ -0.0000003300000000, 0.0000001000000000, 0.0000629500000000 ] - [ 0.0000357100000000, -0.0000011800000000, -0.0000367800000000 ] - [ 0.0000009300000000, 0.0000000700000000, 0.0000721800000000 ] - [ 0.0000358600000000, -0.0000010100000000, 0.0000592500000000 ] - [ -0.0000015500000000, -0.0000003000000000, -0.0001711300000000 ] - [ 0.0000007000000000, -0.0000009300000000, 0.0000227100000000 ] - [ -0.0000007400000000, 0.0000000500000000, -0.0000823600000000 ] - [ -0.0215148200000000, 0.0000183300000000, 0.0002091100000000 ] - [ 0.0000009400000000, 0.0000001300000000, -0.0001289900000000 ] - [ 0.0000024400000000, -0.0000009000000000, 0.0000095400000000 ] - [ 0.0000004900000000, -0.0000009000000000, 0.0000317000000000 ] - [ -0.0000015600000000, -0.0000004700000000, -0.0000532200000000 ] - [ -0.0000003200000000, -0.0000009100000000, 0.0000197900000000 ] - [ 0.0000214800000000, -0.0000000800000000, 0.0000356300000000 ] - [ 0.0000005100000000, -0.0000004900000000, 0.0000613700000000 ] - [ 0.0000010800000000, -0.0000002400000000, 0.0000927700000000 ] - [ 0.0000005400000000, -0.0000004700000000, 0.0001050100000000 ] - [ -0.0000005100000000, -0.0000005600000000, 0.0001340400000000 ] - [ -0.0001885400000000, -0.0000001000000000, -0.0000544800000000 ] - [ -0.0000006600000000, -0.0000004000000000, -0.0000419000000000 ] - [ 0.0000008000000000, -0.0000004700000000, 0.0000468000000000 ] - [ -0.0000011500000000, -0.0000005100000000, -0.0001000600000000 ] - [ -0.0000305900000000, -0.0000007200000000, -0.0000686200000000 ] - [ -0.0000009800000000, -0.0000003500000000, -0.0000741200000000 ] - [ -0.0000739800000000, 0.0000000400000000, 0.0000302600000000 ] - [ -0.0000008900000000, -0.0000004100000000, -0.0000230000000000 ] - [ -0.0000024300000000, -0.0000006200000000, 0.0000778100000000 ] - [ -0.0000001000000000, -0.0000003800000000, 0.0001165100000000 ] - [ -0.0000004500000000, -0.0000007100000000, -0.0000439200000000 ] - [ 0.0000011800000000, -0.0000003100000000, 0.0001402000000000 ] - [ 0.0107446200000000, -0.0002047500000000, -0.0001406300000000 ] - [ 0.0000014300000000, -0.0000006400000000, 0.0000486600000000 ] - [ 0.0000000400000000, -0.0000005100000000, -0.0000170800000000 ] - [ 0.0000012500000000, -0.0000004200000000, -0.0000661900000000 ] - [ -0.0000010800000000, -0.0000002200000000, 0.0000484600000000 ] - [ 0.0109684000000000, 0.0002040600000000, 0.0003410700000000 ] - [ 0.0000010600000000, -0.0000003600000000, -0.0000995900000000 ] - [ 0.0000007500000000, -0.0000002200000000, -0.0002326700000000 ] - [ -0.0000003700000000, -0.0000004200000000, -0.0002272300000000 ] - [ 0.0000006900000000, -0.0000005000000000, -0.0000354400000000 ] - [ 0.0000005700000000, -0.0000004300000000, -0.0000470200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007799000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008210900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005346400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007279600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0606168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007200700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006546500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007308900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002263600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001820800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004587300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004416500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004341000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301370800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003817400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004268200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004635200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005958900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004050800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006555500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007043300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008864300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007959400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008418400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007731100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004050600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004568900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004057800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003047100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000695400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004785900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003224500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301489800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004058100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003467300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004050700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299988800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003026500000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000014700000000, -0.0000017100000000, -0.0000212000000000 ] - [ 0.0000001300000000, -0.0000006900000000, 0.0000629400000000 ] - [ 0.0000032800000000, -0.0000016900000000, -0.0000365400000000 ] - [ 0.0000006000000000, -0.0000007400000000, 0.0000722900000000 ] - [ 0.0000015500000000, -0.0000017400000000, 0.0000592700000000 ] - [ -0.0000007400000000, -0.0000010900000000, -0.0001709900000000 ] - [ 0.0000004000000000, -0.0000017100000000, 0.0000229300000000 ] - [ 0.0000004900000000, -0.0000007200000000, -0.0000822600000000 ] - [ 0.0000018600000000, -0.0000005600000000, 0.0002125100000000 ] - [ -0.0215451000000000, 0.0000508700000000, -0.0001388900000000 ] - [ 0.0000367100000000, -0.0000017900000000, 0.0000097900000000 ] - [ 0.0000364900000000, -0.0000019800000000, 0.0000316200000000 ] - [ 0.0000000400000000, -0.0000012400000000, -0.0000529400000000 ] - [ 0.0000005700000000, -0.0000017100000000, 0.0000198800000000 ] - [ 0.0000019400000000, -0.0000008500000000, 0.0000350800000000 ] - [ 0.0000018400000000, -0.0000012600000000, 0.0000612900000000 ] - [ 0.0000022300000000, -0.0000015100000000, 0.0000944800000000 ] - [ 0.0000005600000000, -0.0000012700000000, 0.0001054700000000 ] - [ -0.0000740100000000, -0.0000006100000000, 0.0001343300000000 ] - [ 0.0000015100000000, -0.0000009700000000, -0.0000551600000000 ] - [ 0.0109670000000000, 0.0002033200000000, 0.0002060800000000 ] - [ 0.0000003700000000, -0.0000012800000000, 0.0000473000000000 ] - [ -0.0000298800000000, -0.0000013700000000, -0.0000994800000000 ] - [ -0.0000004900000000, -0.0000014600000000, -0.0000681500000000 ] - [ 0.0000015100000000, -0.0000011400000000, -0.0000735700000000 ] - [ -0.0000001600000000, -0.0000014800000000, 0.0000313400000000 ] - [ 0.0000005300000000, -0.0000012000000000, -0.0000225900000000 ] - [ 0.0000016200000000, -0.0000014000000000, 0.0000781500000000 ] - [ 0.0000003000000000, -0.0000011800000000, 0.0001165300000000 ] - [ 0.0000006900000000, -0.0000015100000000, -0.0000440600000000 ] - [ 0.0000225700000000, -0.0000011600000000, 0.0001401100000000 ] - [ 0.0000006000000000, -0.0000012100000000, 0.0001066700000000 ] - [ 0.0000021200000000, -0.0000009900000000, 0.0000469700000000 ] - [ 0.0000019100000000, -0.0000013100000000, -0.0000170800000000 ] - [ 0.0000016200000000, -0.0000012100000000, -0.0000665000000000 ] - [ -0.0000012800000000, -0.0000010700000000, 0.0000488700000000 ] - [ 0.0000012400000000, -0.0000012800000000, 0.0000943200000000 ] - [ -0.0001875900000000, -0.0000010800000000, -0.0000993700000000 ] - [ 0.0000006800000000, -0.0000010100000000, -0.0002322400000000 ] - [ 0.0000009900000000, -0.0000012300000000, -0.0002274200000000 ] - [ 0.0107423500000000, -0.0002055900000000, -0.0002832700000000 ] - [ 0.0000014700000000, -0.0000012100000000, -0.0000465000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006839800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007943300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007765300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005406900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006428100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007384400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003166700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002554900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002471300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302646200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004722500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002395800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002232700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002568600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005902400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004025400000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007363000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006532900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0608787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007739100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006919400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003922100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004246300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003030800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004045700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002676800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003849700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004667800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004036900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003447400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001186000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003007600000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000010400000000, 0.0000000100000000, -0.0000231100000000 ] - [ -0.0000008900000000, 0.0000009800000000, 0.0000639300000000 ] - [ 0.0000027100000000, 0.0000000000000000, -0.0000377200000000 ] - [ 0.0000341500000000, 0.0000010300000000, 0.0000742600000000 ] - [ 0.0000027100000000, 0.0000000000000000, 0.0000599100000000 ] - [ -0.0000012200000000, 0.0000005400000000, -0.0001753300000000 ] - [ 0.0000014900000000, 0.0000000500000000, 0.0000220900000000 ] - [ -0.0000021000000000, 0.0000009900000000, -0.0000810700000000 ] - [ 0.0000007700000000, 0.0000010600000000, 0.0002159600000000 ] - [ 0.0000341300000000, 0.0000012500000000, -0.0001275800000000 ] - [ -0.0215179300000000, -0.0000184300000000, 0.0000126400000000 ] - [ 0.0000014900000000, 0.0000000100000000, 0.0000323800000000 ] - [ -0.0000001200000000, 0.0000004600000000, -0.0000589000000000 ] - [ 0.0000009700000000, -0.0000000200000000, 0.0000213900000000 ] - [ 0.0000005400000000, 0.0000008000000000, 0.0000355900000000 ] - [ -0.0000004400000000, 0.0000005000000000, 0.0000672100000000 ] - [ -0.0000008300000000, 0.0000006100000000, 0.0000952700000000 ] - [ -0.0000015200000000, 0.0000004400000000, 0.0001031700000000 ] - [ -0.0000000200000000, 0.0000003100000000, 0.0001305000000000 ] - [ -0.0000006200000000, 0.0000006600000000, -0.0000548800000000 ] - [ -0.0000750600000000, -0.0000003000000000, -0.0000461700000000 ] - [ -0.0000005500000000, 0.0000004000000000, 0.0000429400000000 ] - [ 0.0109663700000000, -0.0002041400000000, 0.0001429800000000 ] - [ 0.0000006300000000, 0.0000002600000000, -0.0000690500000000 ] - [ 0.0000005700000000, 0.0000005100000000, -0.0000758600000000 ] - [ -0.0000004800000000, 0.0000002000000000, 0.0000303900000000 ] - [ 0.0000005800000000, 0.0000004400000000, -0.0000261100000000 ] - [ -0.0000001300000000, 0.0000003000000000, 0.0000750300000000 ] - [ 0.0000010400000000, 0.0000004200000000, 0.0001181000000000 ] - [ -0.0001879200000000, 0.0000002600000000, -0.0000380700000000 ] - [ 0.0000006600000000, 0.0000005900000000, 0.0001441700000000 ] - [ 0.0000014800000000, 0.0000004800000000, 0.0001065200000000 ] - [ -0.0000003000000000, 0.0000006800000000, 0.0000501500000000 ] - [ 0.0000018100000000, 0.0000008400000000, -0.0000127500000000 ] - [ -0.0000010900000000, 0.0000004800000000, -0.0000644200000000 ] - [ 0.0000008500000000, 0.0000005200000000, 0.0000417800000000 ] - [ -0.0000011600000000, 0.0000004300000000, 0.0000935500000000 ] - [ 0.0107445500000000, 0.0002048900000000, -0.0003425100000000 ] - [ 0.0000014400000000, 0.0000001600000000, -0.0002389000000000 ] - [ 0.0000009900000000, 0.0000004900000000, -0.0002228700000000 ] - [ 0.0000221800000000, 0.0000003900000000, -0.0000321500000000 ] - [ -0.0000307600000000, 0.0000004800000000, -0.0000524600000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007732800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008362800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007739400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005337500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006284900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009266800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608285100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007458600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002950800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002270400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004191500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301996100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004264600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002439400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002192900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003085000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004263100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003193000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002655600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005834900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004074000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004285700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006940600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007934100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008909200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609669500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006826000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006951000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004654500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000032000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002866800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003905200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004721100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000747400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004019700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003411700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004065400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004554500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001315400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003254100000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000024900000000, -0.0000001800000000, -0.0000212500000000 ] - [ -0.0000020800000000, 0.0000007900000000, 0.0000630000000000 ] - [ 0.0000027500000000, -0.0000001600000000, -0.0000366200000000 ] - [ -0.0000021900000000, 0.0000007800000000, 0.0000722400000000 ] - [ 0.0000010900000000, -0.0000002000000000, 0.0000591200000000 ] - [ -0.0000001600000000, 0.0000004200000000, -0.0001710200000000 ] - [ 0.0000011000000000, -0.0000002100000000, 0.0000227600000000 ] - [ 0.0000341800000000, 0.0000010700000000, -0.0000824600000000 ] - [ -0.0000009200000000, 0.0000009800000000, 0.0002125400000000 ] - [ 0.0000341100000000, 0.0000009600000000, -0.0001288100000000 ] - [ 0.0000015300000000, -0.0000001700000000, 0.0000096500000000 ] - [ -0.0215150100000000, -0.0000119100000000, 0.0000263800000000 ] - [ 0.0000016700000000, 0.0000002500000000, -0.0000530800000000 ] - [ 0.0000015900000000, -0.0000001700000000, 0.0000198300000000 ] - [ -0.0000005300000000, 0.0000006700000000, 0.0000354400000000 ] - [ -0.0000004400000000, 0.0000002400000000, 0.0000614000000000 ] - [ 0.0000006700000000, 0.0000004700000000, 0.0000928300000000 ] - [ 0.0000006900000000, 0.0000002600000000, 0.0001051800000000 ] - [ 0.0109661000000000, -0.0002043200000000, 0.0003815300000000 ] - [ -0.0000007900000000, 0.0000005500000000, -0.0000549700000000 ] - [ -0.0000306600000000, 0.0000003800000000, -0.0000416300000000 ] - [ -0.0000004000000000, 0.0000002600000000, 0.0000469800000000 ] - [ 0.0000006000000000, 0.0000001900000000, -0.0000998800000000 ] - [ -0.0000001300000000, 0.0000000500000000, -0.0000684600000000 ] - [ 0.0000009200000000, 0.0000003800000000, -0.0000739600000000 ] - [ 0.0000006000000000, 0.0000000300000000, 0.0000307800000000 ] - [ -0.0000752400000000, -0.0000004200000000, -0.0000230600000000 ] - [ -0.0000000500000000, 0.0000001000000000, 0.0000779300000000 ] - [ 0.0000014600000000, 0.0000004300000000, 0.0001173800000000 ] - [ 0.0000013700000000, -0.0000000200000000, -0.0000439800000000 ] - [ 0.0107452500000000, 0.0002047500000000, -0.0001073900000000 ] - [ 0.0000010900000000, 0.0000003000000000, 0.0001068300000000 ] - [ 0.0000005000000000, 0.0000005400000000, 0.0000470300000000 ] - [ 0.0000222700000000, 0.0000002500000000, -0.0000170500000000 ] - [ -0.0000006500000000, 0.0000003100000000, -0.0000662800000000 ] - [ -0.0000003100000000, 0.0000005000000000, 0.0000486200000000 ] - [ -0.0000015000000000, 0.0000002400000000, 0.0000938600000000 ] - [ -0.0000003500000000, 0.0000003800000000, -0.0000997400000000 ] - [ 0.0000006800000000, 0.0000005000000000, -0.0002325000000000 ] - [ -0.0000010700000000, 0.0000003000000000, -0.0002272700000000 ] - [ -0.0001878000000000, 0.0000001500000000, -0.0000351100000000 ] - [ -0.0000024300000000, 0.0000003000000000, -0.0000467800000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007757300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006837000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007724400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608854200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007378800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003220300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002940600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004174400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003179100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004596500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004370200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003262600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002806400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002378700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004007600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002526300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003061500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004222100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003186400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005827800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001569300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004084300000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007391300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006525400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008447100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008909800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007712400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006952400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003087900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003281500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004036700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004794400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003228800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004672900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004033600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004510700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001212300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001370000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003035900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000348800000000, -0.0000003500000000, -0.0000230500000000 ] - [ -0.0000032800000000, 0.0000005300000000, 0.0000640000000000 ] - [ 0.0000346500000000, -0.0000001400000000, -0.0000375400000000 ] - [ -0.0000034000000000, 0.0000004900000000, 0.0000742700000000 ] - [ -0.0000014200000000, -0.0000004400000000, 0.0000600000000000 ] - [ -0.0000002800000000, 0.0000000900000000, -0.0001752000000000 ] - [ -0.0000014600000000, -0.0000004200000000, 0.0000222300000000 ] - [ -0.0000026300000000, 0.0000005500000000, -0.0000809800000000 ] - [ -0.0000034400000000, 0.0000006100000000, 0.0002160200000000 ] - [ -0.0000026800000000, 0.0000005100000000, -0.0001273400000000 ] - [ -0.0000003400000000, -0.0000004700000000, 0.0000096600000000 ] - [ 0.0000014200000000, -0.0000004100000000, 0.0000324600000000 ] - [ -0.0214690400000000, -0.0000005400000000, -0.0000575700000000 ] - [ -0.0000002300000000, -0.0000004700000000, 0.0000214900000000 ] - [ -0.0000749600000000, -0.0000004000000000, 0.0000359100000000 ] - [ -0.0000037200000000, 0.0000000500000000, 0.0000673200000000 ] - [ -0.0000025600000000, 0.0000001800000000, 0.0000954000000000 ] - [ -0.0000018000000000, 0.0000000000000000, 0.0001032300000000 ] - [ 0.0000002600000000, -0.0000001200000000, 0.0001305300000000 ] - [ -0.0000004200000000, 0.0000002200000000, -0.0000547200000000 ] - [ -0.0000007400000000, 0.0000000000000000, -0.0000459600000000 ] - [ -0.0001889700000000, -0.0000001000000000, 0.0000424800000000 ] - [ 0.0000004800000000, -0.0000000700000000, -0.0001043200000000 ] - [ 0.0000006100000000, 0.0000002800000000, -0.0000706600000000 ] - [ 0.0107564200000000, 0.0002045600000000, 0.0001718600000000 ] - [ 0.0000205500000000, -0.0000002100000000, 0.0000304200000000 ] - [ -0.0000015400000000, 0.0000000100000000, -0.0000260500000000 ] - [ -0.0000001600000000, -0.0000001400000000, 0.0000750900000000 ] - [ 0.0000001300000000, -0.0000000200000000, 0.0001182300000000 ] - [ -0.0000008600000000, -0.0000001100000000, -0.0000384400000000 ] - [ -0.0000022200000000, 0.0000001500000000, 0.0001442500000000 ] - [ -0.0000014500000000, 0.0000000300000000, 0.0001066700000000 ] - [ -0.0000317600000000, 0.0000003000000000, 0.0000502000000000 ] - [ -0.0000017600000000, -0.0000000600000000, -0.0000143000000000 ] - [ 0.0109560700000000, -0.0002043600000000, -0.0003115400000000 ] - [ 0.0000004200000000, 0.0000000700000000, 0.0000418000000000 ] - [ -0.0000002200000000, -0.0000000100000000, 0.0000935800000000 ] - [ -0.0000017800000000, 0.0000001200000000, -0.0000948900000000 ] - [ -0.0000014300000000, 0.0000001800000000, -0.0002372100000000 ] - [ -0.0000001000000000, 0.0000000500000000, -0.0002227700000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0000320700000000 ] - [ -0.0000013600000000, -0.0000000100000000, -0.0000524700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007424400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007314100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005414000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007322600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009314200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007465000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007341300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002918600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002548800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004148500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004258200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301916300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003821500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002791500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003747900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300195200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004581400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005770000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004076000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007951600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008416600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609086800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004199400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004576900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004878200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003083000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001650000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301243200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303640200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004076700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002641500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003250700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003056100000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000030300000000, 0.0000000000000000, -0.0000229100000000 ] - [ 0.0000342500000000, 0.0000012700000000, 0.0000639700000000 ] - [ 0.0000009600000000, 0.0000000300000000, -0.0000376200000000 ] - [ -0.0000010400000000, 0.0000009400000000, 0.0000743000000000 ] - [ 0.0000014400000000, 0.0000000100000000, 0.0000601500000000 ] - [ 0.0000016700000000, 0.0000005200000000, -0.0001751300000000 ] - [ 0.0000026600000000, 0.0000000100000000, 0.0000223200000000 ] - [ 0.0000342300000000, 0.0000010900000000, -0.0000807700000000 ] - [ -0.0000020500000000, 0.0000010500000000, 0.0002161400000000 ] - [ -0.0000020600000000, 0.0000009500000000, -0.0001272600000000 ] - [ 0.0000010100000000, -0.0000000200000000, 0.0000097300000000 ] - [ 0.0000014700000000, 0.0000000300000000, 0.0000325000000000 ] - [ -0.0000001900000000, 0.0000004600000000, -0.0000587200000000 ] - [ -0.0215164200000000, -0.0000190500000000, 0.0000153600000000 ] - [ -0.0000006800000000, 0.0000007900000000, 0.0000357400000000 ] - [ 0.0000004100000000, 0.0000005100000000, 0.0000673700000000 ] - [ 0.0107434000000000, 0.0002049300000000, -0.0001521300000000 ] - [ -0.0000751300000000, -0.0000003000000000, 0.0001032600000000 ] - [ 0.0000007900000000, 0.0000003300000000, 0.0001307400000000 ] - [ 0.0000007300000000, 0.0000006700000000, -0.0000547200000000 ] - [ -0.0000025600000000, 0.0000004400000000, -0.0000457400000000 ] - [ 0.0000007400000000, 0.0000004000000000, 0.0000432000000000 ] - [ -0.0000005300000000, 0.0000003800000000, -0.0001041300000000 ] - [ -0.0000000200000000, 0.0000002600000000, -0.0000688200000000 ] - [ 0.0000012300000000, 0.0000005100000000, -0.0000755900000000 ] - [ -0.0000001400000000, 0.0000002000000000, 0.0000305900000000 ] - [ -0.0000307600000000, 0.0000005000000000, -0.0000258100000000 ] - [ 0.0109657200000000, -0.0002041900000000, 0.0003226100000000 ] - [ 0.0000222700000000, 0.0000004500000000, 0.0001182500000000 ] - [ 0.0000016300000000, 0.0000003400000000, -0.0000384000000000 ] - [ -0.0000003700000000, 0.0000006000000000, 0.0001442600000000 ] - [ 0.0000019000000000, 0.0000009500000000, 0.0001083200000000 ] - [ -0.0000005600000000, 0.0000006700000000, 0.0000502500000000 ] - [ -0.0001880900000000, 0.0000003200000000, -0.0000138300000000 ] - [ -0.0000002300000000, 0.0000004900000000, -0.0000643400000000 ] - [ -0.0000002700000000, 0.0000005300000000, 0.0000420100000000 ] - [ 0.0000006100000000, 0.0000004300000000, 0.0000937800000000 ] - [ -0.0000003400000000, 0.0000005700000000, -0.0000948400000000 ] - [ 0.0000010900000000, 0.0000006200000000, -0.0002370000000000 ] - [ -0.0000006700000000, 0.0000005000000000, -0.0002227700000000 ] - [ 0.0000015100000000, 0.0000003600000000, -0.0000320500000000 ] - [ -0.0000006700000000, 0.0000004300000000, -0.0000522600000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005382200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007347800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006839000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007495400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006536300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609468200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002919300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301346500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002240200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004238000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003254300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303797500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003054600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004226900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003926700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106200000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007545900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006539800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008424400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004942600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007670700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0608550800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301573800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001439400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003113900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003134300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002556200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002829900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300099200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004046500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001254400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001373000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003309200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003093600000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000014000000000, -0.0000004700000000, -0.0000210600000000 ] - [ 0.0000005000000000, 0.0000009800000000, 0.0000617100000000 ] - [ 0.0109411100000000, -0.0002036200000000, 0.0002040100000000 ] - [ -0.0000004500000000, 0.0000005000000000, 0.0000726100000000 ] - [ 0.0000005500000000, -0.0000004900000000, 0.0000594900000000 ] - [ 0.0000001600000000, 0.0000001400000000, -0.0001707700000000 ] - [ 0.0000006700000000, -0.0000004900000000, 0.0000230500000000 ] - [ -0.0000010600000000, 0.0000004800000000, -0.0000820200000000 ] - [ 0.0000209900000000, 0.0000005900000000, 0.0002128400000000 ] - [ -0.0000002400000000, 0.0000005900000000, -0.0001285500000000 ] - [ 0.0000011100000000, -0.0000004700000000, 0.0000099200000000 ] - [ -0.0000000300000000, -0.0000004700000000, 0.0000321000000000 ] - [ -0.0000742300000000, -0.0000016200000000, -0.0000559000000000 ] - [ 0.0000003900000000, -0.0000004800000000, 0.0000202600000000 ] - [ -0.0127404600000000, 0.0001442100000000, -0.0002118300000000 ] - [ 0.0000011700000000, -0.0000000300000000, 0.0000610800000000 ] - [ 0.0000013300000000, 0.0000001800000000, 0.0000927300000000 ] - [ 0.0000002300000000, -0.0000000300000000, 0.0001046700000000 ] - [ -0.0000001100000000, -0.0000001300000000, 0.0001336400000000 ] - [ 0.0000003900000000, 0.0000002500000000, -0.0000546800000000 ] - [ -0.0000003300000000, 0.0000000500000000, -0.0000424000000000 ] - [ -0.0000019500000000, -0.0000000500000000, 0.0000465100000000 ] - [ -0.0000001000000000, -0.0000000900000000, -0.0001004400000000 ] - [ -0.0000001900000000, -0.0000002300000000, -0.0000691600000000 ] - [ 0.0008911000000000, 0.0000087300000000, -0.0000879000000000 ] - [ 0.0009295900000000, 0.0000509400000000, 0.0000524700000000 ] - [ -0.0000000600000000, 0.0000000200000000, -0.0000232900000000 ] - [ 0.0000004400000000, -0.0000001700000000, 0.0000775500000000 ] - [ -0.0000002000000000, 0.0000000500000000, 0.0001166500000000 ] - [ 0.0000007000000000, -0.0000002700000000, -0.0000440400000000 ] - [ 0.0000008600000000, 0.0000001300000000, 0.0001403300000000 ] - [ -0.0000696600000000, 0.0000008300000000, 0.0001076500000000 ] - [ 0.0000011800000000, 0.0000002500000000, 0.0000469600000000 ] - [ 0.0000009900000000, -0.0000000600000000, -0.0000170700000000 ] - [ 0.0000901200000000, -0.0000002300000000, -0.0000666200000000 ] - [ 0.0000007300000000, 0.0000001800000000, 0.0000484600000000 ] - [ 0.0000014400000000, 0.0000000800000000, 0.0000930600000000 ] - [ 0.0000008700000000, 0.0000000900000000, -0.0000994600000000 ] - [ -0.0000004000000000, 0.0000001800000000, -0.0002329700000000 ] - [ 0.0000002400000000, 0.0000000300000000, -0.0002271800000000 ] - [ 0.0000009200000000, -0.0000000700000000, -0.0000352300000000 ] - [ 0.0000002700000000, -0.0000000100000000, -0.0000471800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003779700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002905600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003312000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004354800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001509000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003452900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003229400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424904100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003077700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001263500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001314800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000722300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001075500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016604800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102753800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001661600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000463600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001249000000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003336000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301186800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004296100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003661200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003892400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003780200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000449300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002376500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018596300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000635700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001240400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002774000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003997500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002148400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002278700000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003000000000, -0.0000004700000000, -0.0000215000000000 ] - [ -0.0000001000000000, 0.0000005100000000, 0.0000628900000000 ] - [ 0.0000003800000000, -0.0000004400000000, -0.0000367600000000 ] - [ -0.0001915000000000, 0.0000025700000000, 0.0000711900000000 ] - [ 0.0000002900000000, -0.0000004800000000, 0.0000591100000000 ] - [ -0.0000273700000000, -0.0000001300000000, -0.0001711400000000 ] - [ 0.0107512700000000, -0.0002066800000000, 0.0002634200000000 ] - [ -0.0000003300000000, 0.0000004900000000, -0.0000824200000000 ] - [ -0.0000011100000000, 0.0000007000000000, 0.0002123100000000 ] - [ -0.0000011600000000, 0.0000005900000000, -0.0001289900000000 ] - [ 0.0000013400000000, -0.0000004500000000, 0.0000094000000000 ] - [ 0.0000006400000000, -0.0000004700000000, 0.0000315900000000 ] - [ -0.0000015900000000, -0.0000000300000000, -0.0000534100000000 ] - [ 0.0000013000000000, -0.0000004700000000, 0.0000197700000000 ] - [ 0.0000014600000000, 0.0000003600000000, 0.0000358200000000 ] - [ -0.0121736700000000, 0.0001617600000000, -0.0001939000000000 ] - [ 0.0000009000000000, 0.0000001900000000, 0.0000926200000000 ] - [ -0.0000002100000000, -0.0000000200000000, 0.0001050100000000 ] - [ 0.0000006000000000, -0.0000001100000000, 0.0001340500000000 ] - [ 0.0000009200000000, 0.0000002700000000, -0.0000549900000000 ] - [ -0.0000004200000000, 0.0000000500000000, -0.0000419000000000 ] - [ -0.0000000800000000, -0.0000000300000000, 0.0000469100000000 ] - [ -0.0000020800000000, -0.0000001200000000, -0.0000998200000000 ] - [ 0.0000000200000000, -0.0000002400000000, -0.0000687800000000 ] - [ 0.0000001900000000, 0.0000000900000000, -0.0000741400000000 ] - [ 0.0000004600000000, -0.0000002100000000, 0.0000301600000000 ] - [ 0.0000002100000000, 0.0000000200000000, -0.0000230200000000 ] - [ 0.0000001000000000, -0.0000001700000000, 0.0000778000000000 ] - [ 0.0000009600000000, 0.0000000400000000, 0.0001164600000000 ] - [ -0.0000726200000000, -0.0000002800000000, -0.0000446700000000 ] - [ 0.0000013500000000, 0.0000001300000000, 0.0001400800000000 ] - [ 0.0000010200000000, 0.0000000100000000, 0.0001070400000000 ] - [ 0.0000012200000000, 0.0000002400000000, 0.0000467400000000 ] - [ 0.0000009200000000, -0.0000000600000000, -0.0000172400000000 ] - [ 0.0000003600000000, 0.0000000300000000, -0.0000662200000000 ] - [ 0.0007200300000000, 0.0000532800000000, 0.0000726700000000 ] - [ 0.0000000100000000, -0.0000000600000000, 0.0000935600000000 ] - [ 0.0000005000000000, 0.0000001000000000, -0.0000998600000000 ] - [ 0.0000007100000000, 0.0000001100000000, -0.0002323900000000 ] - [ 0.0000819400000000, 0.0000007300000000, -0.0002272000000000 ] - [ -0.0000000800000000, -0.0000000700000000, -0.0000356200000000 ] - [ 0.0009029300000000, -0.0000112700000000, -0.0000546700000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000489400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005482700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004390400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001434800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003258100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004145500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423143100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001324700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000736700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001087900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002091200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003012200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003256300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102927300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000863100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001494100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016883800000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003368800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004228500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003232100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002022500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005733100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003674500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003912300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003800400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420955900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000883700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000752500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002244600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001371700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001482500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000656300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000834600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002776400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004126300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004391000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002147700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018397700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011300000000, -0.0000004700000000, -0.0000214100000000 ] - [ -0.0001900500000000, 0.0000025800000000, 0.0000619500000000 ] - [ 0.0000006500000000, -0.0000004600000000, -0.0000366500000000 ] - [ -0.0000012900000000, 0.0000004900000000, 0.0000722200000000 ] - [ 0.0000012500000000, -0.0000004800000000, 0.0000591700000000 ] - [ -0.0000012700000000, 0.0000001300000000, -0.0001711500000000 ] - [ 0.0000002400000000, -0.0000004900000000, 0.0000226700000000 ] - [ 0.0000213500000000, 0.0000003800000000, -0.0000823200000000 ] - [ -0.0000011800000000, 0.0000007000000000, 0.0002123500000000 ] - [ 0.0000004700000000, 0.0000010400000000, -0.0001305800000000 ] - [ 0.0000003600000000, -0.0000004700000000, 0.0000094900000000 ] - [ 0.0000003200000000, -0.0000004700000000, 0.0000316500000000 ] - [ -0.0000008700000000, -0.0000000300000000, -0.0000533300000000 ] - [ 0.0107429800000000, -0.0002062900000000, 0.0002603600000000 ] - [ 0.0000013700000000, 0.0000003600000000, 0.0000361000000000 ] - [ 0.0000007200000000, -0.0000000200000000, 0.0000609000000000 ] - [ -0.0121565000000000, 0.0001615800000000, -0.0001623800000000 ] - [ 0.0008987600000000, -0.0000112300000000, 0.0000969700000000 ] - [ -0.0000001900000000, -0.0000001300000000, 0.0001340500000000 ] - [ 0.0000004300000000, 0.0000002500000000, -0.0000548100000000 ] - [ 0.0000001400000000, 0.0000000400000000, -0.0000419400000000 ] - [ 0.0000000800000000, -0.0000000400000000, 0.0000468600000000 ] - [ 0.0000003200000000, -0.0000000900000000, -0.0000999300000000 ] - [ -0.0000020000000000, -0.0000002600000000, -0.0000688300000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0000742300000000 ] - [ 0.0000005200000000, -0.0000002100000000, 0.0000299800000000 ] - [ 0.0000001200000000, 0.0000001700000000, -0.0000229700000000 ] - [ 0.0008226400000000, 0.0000521500000000, 0.0001011100000000 ] - [ -0.0000717400000000, 0.0000000500000000, 0.0001165100000000 ] - [ 0.0000008100000000, -0.0000002900000000, -0.0000442400000000 ] - [ 0.0000004300000000, 0.0000001200000000, 0.0001402400000000 ] - [ -0.0000000500000000, 0.0000000200000000, 0.0001072500000000 ] - [ 0.0000008800000000, 0.0000002500000000, 0.0000469300000000 ] - [ -0.0000714800000000, 0.0000007100000000, -0.0000168100000000 ] - [ -0.0000000200000000, 0.0000000200000000, -0.0000660100000000 ] - [ 0.0000002400000000, 0.0000001700000000, 0.0000489700000000 ] - [ -0.0000004400000000, -0.0000000700000000, 0.0000935000000000 ] - [ 0.0000013700000000, 0.0000000900000000, -0.0000996400000000 ] - [ -0.0000003200000000, 0.0000001900000000, -0.0002324900000000 ] - [ -0.0000001000000000, 0.0000000200000000, -0.0002273500000000 ] - [ -0.0000002000000000, -0.0000000700000000, -0.0000354400000000 ] - [ 0.0000001000000000, 0.0000000000000000, -0.0000467100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003801300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003983500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002977200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005306600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001478800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004871700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003289500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004143600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002125500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002400100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018484500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001382600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002287100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000810300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001092900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103257700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002307500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000490900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000527700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001426600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004329800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004187800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005750800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003699000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003931000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001432000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002354700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001375900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002832300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002585300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000378300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002464100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002767900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002302800000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008300000000, -0.0000003800000000, -0.0000216500000000 ] - [ 0.0109703800000000, -0.0002032300000000, -0.0001783400000000 ] - [ -0.0000007900000000, -0.0000003700000000, -0.0000369900000000 ] - [ -0.0000006000000000, 0.0000005800000000, 0.0000718800000000 ] - [ -0.0000289000000000, -0.0000006300000000, 0.0000587100000000 ] - [ -0.0000006200000000, 0.0000002100000000, -0.0001714700000000 ] - [ -0.0000003100000000, -0.0000003900000000, 0.0000223800000000 ] - [ -0.0000002000000000, 0.0000005800000000, -0.0000826800000000 ] - [ -0.0000012100000000, 0.0000007700000000, 0.0002120500000000 ] - [ -0.0000010000000000, 0.0000006700000000, -0.0001292900000000 ] - [ 0.0000000100000000, -0.0000003700000000, 0.0000091200000000 ] - [ 0.0000010700000000, -0.0000003700000000, 0.0000313200000000 ] - [ -0.0000003300000000, 0.0000000600000000, -0.0000535900000000 ] - [ -0.0000743500000000, -0.0000019900000000, 0.0000225100000000 ] - [ 0.0000003700000000, 0.0000004700000000, 0.0000354600000000 ] - [ -0.0000003400000000, 0.0000000600000000, 0.0000611700000000 ] - [ 0.0008989600000000, 0.0000090000000000, 0.0001060200000000 ] - [ -0.0127687900000000, 0.0001408400000000, 0.0003533700000000 ] - [ 0.0000000700000000, -0.0000000300000000, 0.0001342800000000 ] - [ 0.0000002700000000, 0.0000002600000000, -0.0000550300000000 ] - [ 0.0000013600000000, 0.0000001300000000, -0.0000416400000000 ] - [ -0.0000001800000000, 0.0000000500000000, 0.0000471200000000 ] - [ -0.0000001900000000, 0.0000000000000000, -0.0000996900000000 ] - [ 0.0000904300000000, 0.0000004800000000, -0.0000687300000000 ] - [ -0.0000012300000000, 0.0000001800000000, -0.0000738000000000 ] - [ 0.0000001600000000, -0.0000001500000000, 0.0000307800000000 ] - [ 0.0000011700000000, 0.0000001100000000, -0.0000227900000000 ] - [ 0.0000906600000000, -0.0000003300000000, 0.0000787500000000 ] - [ 0.0008234300000000, 0.0000522700000000, 0.0000932400000000 ] - [ 0.0000001200000000, -0.0000002000000000, -0.0000441100000000 ] - [ -0.0000003400000000, 0.0000002000000000, 0.0001401700000000 ] - [ 0.0000000700000000, 0.0000001000000000, 0.0001068800000000 ] - [ 0.0000000800000000, 0.0000003400000000, 0.0000468900000000 ] - [ -0.0000017900000000, 0.0000000000000000, -0.0000172200000000 ] - [ -0.0000006900000000, 0.0000001000000000, -0.0000663100000000 ] - [ -0.0000000500000000, 0.0000002700000000, 0.0000488700000000 ] - [ 0.0000012100000000, 0.0000000200000000, 0.0000939700000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0000996800000000 ] - [ -0.0000006600000000, 0.0000003100000000, -0.0002323600000000 ] - [ -0.0000001600000000, 0.0000001000000000, -0.0002274000000000 ] - [ 0.0000006500000000, 0.0000000300000000, -0.0000355700000000 ] - [ 0.0000011200000000, 0.0000000900000000, -0.0000466100000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003783200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301471400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002814300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003130300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003459900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004126200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002439200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018834800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003060200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001184100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002911300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001383500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003217600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001629300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001110700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002694300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000470400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001449300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001254700000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003317900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302449300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004265400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004303500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001810300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002717400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005680100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002259800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003636300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000630600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001386600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016422900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425744400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001345700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002848200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002154700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000329700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001353100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000845800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002731400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002292600000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000012400000000, -0.0000005700000000, -0.0000215800000000 ] - [ -0.0000024100000000, 0.0000004100000000, 0.0000625700000000 ] - [ 0.0000001900000000, -0.0000005600000000, -0.0000369700000000 ] - [ -0.0000005800000000, 0.0000004000000000, 0.0000718400000000 ] - [ 0.0000003400000000, -0.0000005800000000, 0.0000587900000000 ] - [ 0.0000005600000000, 0.0000000200000000, -0.0001714000000000 ] - [ 0.0000007900000000, -0.0000005900000000, 0.0000224400000000 ] - [ -0.0000305600000000, 0.0000006200000000, -0.0000828100000000 ] - [ -0.0000007900000000, 0.0000005900000000, 0.0002121000000000 ] - [ -0.0000760800000000, 0.0000020500000000, -0.0001263300000000 ] - [ 0.0000015500000000, -0.0000005700000000, 0.0000091900000000 ] - [ 0.0109654000000000, 0.0002031900000000, -0.0002094400000000 ] - [ 0.0000008100000000, -0.0000001400000000, -0.0000534900000000 ] - [ 0.0000006500000000, -0.0000005700000000, 0.0000194600000000 ] - [ -0.0000001100000000, 0.0000002800000000, 0.0000351700000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0000616200000000 ] - [ -0.0000003100000000, 0.0000000900000000, 0.0000928600000000 ] - [ 0.0000000900000000, -0.0000001400000000, 0.0001053100000000 ] - [ -0.0127710800000000, -0.0001403600000000, 0.0003812000000000 ] - [ 0.0000003400000000, 0.0000001600000000, -0.0000550600000000 ] - [ 0.0000902800000000, 0.0000001800000000, -0.0000408300000000 ] - [ 0.0000012300000000, -0.0000001400000000, 0.0000470200000000 ] - [ 0.0000013200000000, -0.0000002000000000, -0.0000997900000000 ] - [ 0.0000016900000000, -0.0000003300000000, -0.0000683100000000 ] - [ 0.0000005700000000, -0.0000000200000000, -0.0000737700000000 ] - [ 0.0000011600000000, -0.0000003500000000, 0.0000311000000000 ] - [ 0.0000904000000000, -0.0000007000000000, -0.0000230600000000 ] - [ 0.0000014800000000, -0.0000002800000000, 0.0000780000000000 ] - [ 0.0000007000000000, -0.0000000600000000, 0.0001165600000000 ] - [ -0.0000000400000000, -0.0000003800000000, -0.0000438000000000 ] - [ 0.0008224500000000, -0.0000521200000000, 0.0001169400000000 ] - [ 0.0000005100000000, -0.0000000900000000, 0.0001067300000000 ] - [ -0.0000000200000000, 0.0000001400000000, 0.0000470600000000 ] - [ 0.0000007500000000, -0.0000000800000000, -0.0000170400000000 ] - [ 0.0000002800000000, -0.0000000800000000, -0.0000663400000000 ] - [ 0.0000019100000000, 0.0000001100000000, 0.0000484700000000 ] - [ -0.0000003900000000, -0.0000001700000000, 0.0000941200000000 ] - [ -0.0000021100000000, -0.0000000100000000, -0.0000996700000000 ] - [ 0.0000006100000000, 0.0000001200000000, -0.0002325500000000 ] - [ 0.0000006700000000, -0.0000000900000000, -0.0002272000000000 ] - [ 0.0008961400000000, -0.0000088800000000, -0.0000222900000000 ] - [ 0.0000001100000000, -0.0000001100000000, -0.0000468200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002824200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005284100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004535800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003446300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003337400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002440100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002727700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419958000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001711900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001052900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002089800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002534400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001396500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001577200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001112600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002703900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000469200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001239300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003312200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004183700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003188900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004293700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003748100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002908500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000841100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003635200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002959700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001102800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425892500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002320500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001364300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002557700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000699200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001352500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002278100000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006200000000, -0.0000004700000000, -0.0000215100000000 ] - [ 0.0000212900000000, 0.0000004000000000, 0.0000630100000000 ] - [ 0.0000012100000000, -0.0000004400000000, -0.0000367500000000 ] - [ -0.0000002800000000, 0.0000004900000000, 0.0000721200000000 ] - [ 0.0107417800000000, -0.0002062900000000, 0.0002995900000000 ] - [ -0.0000010100000000, 0.0000001300000000, -0.0001712300000000 ] - [ 0.0000010800000000, -0.0000005100000000, 0.0000226100000000 ] - [ 0.0000004800000000, 0.0000009300000000, -0.0000840700000000 ] - [ -0.0001898800000000, 0.0000027500000000, 0.0002113300000000 ] - [ -0.0000012700000000, 0.0000005800000000, -0.0001289700000000 ] - [ 0.0000002100000000, -0.0000004700000000, 0.0000094600000000 ] - [ 0.0000002300000000, -0.0000004800000000, 0.0000315900000000 ] - [ 0.0000002400000000, -0.0000000300000000, -0.0000534900000000 ] - [ 0.0000005300000000, -0.0000004800000000, 0.0000197500000000 ] - [ 0.0000004200000000, 0.0000003500000000, 0.0000365000000000 ] - [ 0.0000006800000000, -0.0000000200000000, 0.0000610100000000 ] - [ 0.0000004100000000, 0.0000001600000000, 0.0000927200000000 ] - [ 0.0000002400000000, 0.0000001200000000, 0.0001048300000000 ] - [ 0.0000004200000000, -0.0000001300000000, 0.0001338100000000 ] - [ -0.0121572100000000, 0.0001617600000000, -0.0003067800000000 ] - [ -0.0000000700000000, 0.0000000300000000, -0.0000422700000000 ] - [ 0.0000005200000000, -0.0000000300000000, 0.0000465900000000 ] - [ -0.0000002000000000, -0.0000000900000000, -0.0001002500000000 ] - [ 0.0008225800000000, 0.0000520900000000, -0.0000456900000000 ] - [ -0.0000006300000000, 0.0000000800000000, -0.0000745400000000 ] - [ -0.0000019600000000, -0.0000002600000000, 0.0000294700000000 ] - [ 0.0000001300000000, 0.0000000100000000, -0.0000231500000000 ] - [ -0.0000002100000000, -0.0000001800000000, 0.0000777400000000 ] - [ -0.0000716000000000, 0.0000008300000000, 0.0001169200000000 ] - [ 0.0000007700000000, -0.0000002800000000, -0.0000440900000000 ] - [ 0.0000013100000000, 0.0000001300000000, 0.0001403700000000 ] - [ -0.0000716700000000, 0.0000000100000000, 0.0001073000000000 ] - [ 0.0000013300000000, 0.0000002400000000, 0.0000469000000000 ] - [ -0.0000001700000000, -0.0000000600000000, -0.0000171100000000 ] - [ 0.0000002100000000, 0.0000000200000000, -0.0000658400000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0000486400000000 ] - [ 0.0008977000000000, -0.0000112500000000, 0.0000852300000000 ] - [ 0.0000008500000000, 0.0000000900000000, -0.0000995100000000 ] - [ 0.0000000900000000, 0.0000001800000000, -0.0002328000000000 ] - [ -0.0000001000000000, 0.0000000200000000, -0.0002271800000000 ] - [ 0.0000008500000000, -0.0000000600000000, -0.0000352600000000 ] - [ -0.0000002000000000, -0.0000000100000000, -0.0000469900000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003821300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002858000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303191100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003271700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002158600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003099400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000753500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002079000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001429500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000858300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000555100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001486500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001273600000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004339000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004333100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002324600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003926200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001439200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000861500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000705900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419711600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101299500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002582500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001133800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000370100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001250400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001954800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002772400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004192000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002140700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002311700000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000200000000, -0.0000003800000000, -0.0000216500000000 ] - [ -0.0000013700000000, 0.0000006100000000, 0.0000625800000000 ] - [ -0.0000002700000000, -0.0000003600000000, -0.0000370100000000 ] - [ -0.0000002600000000, 0.0000005900000000, 0.0000718600000000 ] - [ 0.0000008600000000, -0.0000003900000000, 0.0000587600000000 ] - [ -0.0000002800000000, 0.0000002100000000, -0.0001715100000000 ] - [ 0.0000011600000000, -0.0000003800000000, 0.0000223900000000 ] - [ -0.0000011900000000, 0.0000005800000000, -0.0000827200000000 ] - [ -0.0000015100000000, 0.0000007800000000, 0.0002120700000000 ] - [ 0.0109640900000000, -0.0002030800000000, -0.0003701400000000 ] - [ -0.0000743400000000, -0.0000019800000000, 0.0000121700000000 ] - [ -0.0000289300000000, -0.0000006200000000, 0.0000312300000000 ] - [ 0.0000004600000000, 0.0000000700000000, -0.0000535800000000 ] - [ -0.0000005900000000, -0.0000003800000000, 0.0000194300000000 ] - [ -0.0000001500000000, 0.0000004600000000, 0.0000355300000000 ] - [ -0.0000004300000000, 0.0000000500000000, 0.0000614400000000 ] - [ 0.0000003200000000, 0.0000002800000000, 0.0000928300000000 ] - [ 0.0000015400000000, 0.0000000600000000, 0.0001052100000000 ] - [ 0.0000903200000000, 0.0000006000000000, 0.0001338700000000 ] - [ 0.0000000700000000, 0.0000003500000000, -0.0000549500000000 ] - [ -0.0127609500000000, 0.0001407100000000, 0.0002064400000000 ] - [ 0.0000000100000000, 0.0000000600000000, 0.0000469300000000 ] - [ 0.0000904700000000, -0.0000002300000000, -0.0000991700000000 ] - [ -0.0000001800000000, -0.0000001300000000, -0.0000684700000000 ] - [ -0.0000007700000000, 0.0000001800000000, -0.0000739600000000 ] - [ -0.0000003000000000, -0.0000001400000000, 0.0000306700000000 ] - [ 0.0000012200000000, 0.0000001100000000, -0.0000228700000000 ] - [ 0.0000002400000000, -0.0000000800000000, 0.0000779700000000 ] - [ 0.0000006200000000, 0.0000001400000000, 0.0001165800000000 ] - [ -0.0000019300000000, -0.0000002200000000, -0.0000439000000000 ] - [ 0.0000002800000000, 0.0000001200000000, 0.0001402900000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0001069300000000 ] - [ 0.0000003500000000, 0.0000003400000000, 0.0000470100000000 ] - [ 0.0000001000000000, 0.0000000100000000, -0.0000170300000000 ] - [ -0.0000000400000000, 0.0000001200000000, -0.0000662100000000 ] - [ 0.0000004100000000, 0.0000002900000000, 0.0000485700000000 ] - [ 0.0000009900000000, 0.0000000300000000, 0.0000939100000000 ] - [ 0.0008977100000000, 0.0000088900000000, -0.0000862200000000 ] - [ -0.0000013000000000, 0.0000003200000000, -0.0002325900000000 ] - [ -0.0000008100000000, 0.0000000900000000, -0.0002272000000000 ] - [ 0.0008227600000000, 0.0000521500000000, -0.0000586700000000 ] - [ 0.0000013800000000, 0.0000000900000000, -0.0000468500000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003949300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002808000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002952600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005285900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299535800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003398900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004117700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002116600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002446300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002810500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001221800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421649000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001126300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001520500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002956900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003162600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002262500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001632500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001110500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016901700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000589900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000471700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100252700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001246600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003310400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003185900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004141000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005696200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304375000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000523800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004029900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002951500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000833400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002328800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003192900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001457100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000285900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000721500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000834600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018309100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002292800000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0107585300000000, 0.0002054700000000, -0.0002621000000000 ] - [ -0.0000016300000000, 0.0000004100000000, 0.0000629800000000 ] - [ 0.0000013800000000, -0.0000005800000000, -0.0000366400000000 ] - [ -0.0000025100000000, 0.0000003900000000, 0.0000722500000000 ] - [ 0.0000007700000000, -0.0000005900000000, 0.0000592100000000 ] - [ 0.0000222800000000, 0.0000001300000000, -0.0001712000000000 ] - [ 0.0000005400000000, -0.0000005900000000, 0.0000227100000000 ] - [ -0.0000019100000000, 0.0000003800000000, -0.0000823400000000 ] - [ -0.0000004900000000, 0.0000006000000000, 0.0002124200000000 ] - [ -0.0000008300000000, 0.0000004800000000, -0.0001289000000000 ] - [ 0.0000004900000000, -0.0000005800000000, 0.0000095400000000 ] - [ 0.0000003000000000, -0.0000005800000000, 0.0000316900000000 ] - [ -0.0001885400000000, -0.0000021900000000, -0.0000523500000000 ] - [ 0.0000014000000000, -0.0000005800000000, 0.0000199100000000 ] - [ -0.0000018700000000, 0.0000002900000000, 0.0000358200000000 ] - [ -0.0000003500000000, -0.0000001100000000, 0.0000606900000000 ] - [ -0.0000000600000000, 0.0000000700000000, 0.0000925800000000 ] - [ -0.0000003100000000, -0.0000001600000000, 0.0001050000000000 ] - [ 0.0000012600000000, -0.0000002300000000, 0.0001340100000000 ] - [ 0.0000004800000000, 0.0000001500000000, -0.0000550100000000 ] - [ -0.0000003400000000, -0.0000000600000000, -0.0000419900000000 ] - [ -0.0121742900000000, -0.0001577700000000, 0.0003028400000000 ] - [ 0.0000015500000000, -0.0000002300000000, -0.0000999500000000 ] - [ 0.0000016700000000, -0.0000003400000000, -0.0000687900000000 ] - [ -0.0000720000000000, -0.0000000400000000, -0.0000740900000000 ] - [ 0.0000006600000000, -0.0000003100000000, 0.0000300600000000 ] - [ -0.0000004300000000, -0.0000000900000000, -0.0000230400000000 ] - [ 0.0000012000000000, -0.0000002600000000, 0.0000777600000000 ] - [ 0.0000005900000000, -0.0000000600000000, 0.0001164300000000 ] - [ 0.0000005600000000, -0.0000004000000000, -0.0000444600000000 ] - [ -0.0000001800000000, 0.0000000200000000, 0.0001400900000000 ] - [ 0.0000000600000000, -0.0000000700000000, 0.0001070100000000 ] - [ 0.0008224900000000, -0.0000522100000000, 0.0000234300000000 ] - [ 0.0000002400000000, -0.0000001700000000, -0.0000172700000000 ] - [ 0.0008982800000000, 0.0000111200000000, -0.0000582000000000 ] - [ 0.0000010700000000, 0.0000000500000000, 0.0000489500000000 ] - [ -0.0000000800000000, -0.0000001700000000, 0.0000935400000000 ] - [ 0.0000004200000000, 0.0000000200000000, -0.0000998800000000 ] - [ -0.0000716700000000, -0.0000007000000000, -0.0002328400000000 ] - [ 0.0000007800000000, -0.0000002400000000, -0.0002275200000000 ] - [ 0.0000003900000000, -0.0000001800000000, -0.0000356000000000 ] - [ 0.0000001100000000, -0.0000000900000000, -0.0000467700000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0300176500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002967100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003979500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005439300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003362700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002125500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419762000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000771200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001539400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002571100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002969700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002847400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017191600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000518500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001447300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001275400000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0302942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004227700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001946600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005746700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002314900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003679200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000640200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000472400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002213500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002808700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001495900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000837400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004680300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002280700000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008700000000, -0.0000005700000000, -0.0000216000000000 ] - [ -0.0000007800000000, 0.0000004300000000, 0.0000626700000000 ] - [ 0.0000012600000000, -0.0000005400000000, -0.0000369500000000 ] - [ -0.0000760800000000, 0.0000019700000000, 0.0000748600000000 ] - [ 0.0000002300000000, -0.0000005900000000, 0.0000587900000000 ] - [ -0.0000003300000000, 0.0000000400000000, -0.0001714400000000 ] - [ 0.0000015700000000, -0.0000005900000000, 0.0000224200000000 ] - [ -0.0000023700000000, 0.0000003900000000, -0.0000826800000000 ] - [ -0.0000018900000000, 0.0000005900000000, 0.0002120900000000 ] - [ -0.0000306100000000, 0.0000007300000000, -0.0001293800000000 ] - [ 0.0109657200000000, 0.0002031900000000, -0.0002316000000000 ] - [ 0.0000004500000000, -0.0000005600000000, 0.0000313600000000 ] - [ 0.0000006800000000, -0.0000001300000000, -0.0000535700000000 ] - [ 0.0000005400000000, -0.0000005700000000, 0.0000194800000000 ] - [ 0.0000000300000000, 0.0000002900000000, 0.0000359500000000 ] - [ -0.0000022400000000, -0.0000001100000000, 0.0000618800000000 ] - [ 0.0000003700000000, 0.0000000900000000, 0.0000929300000000 ] - [ -0.0000002900000000, -0.0000001300000000, 0.0001050900000000 ] - [ 0.0000015200000000, -0.0000002100000000, 0.0001339800000000 ] - [ -0.0000001400000000, 0.0000001600000000, -0.0000547500000000 ] - [ 0.0000903200000000, -0.0000006700000000, -0.0000423700000000 ] - [ 0.0000016900000000, -0.0000001300000000, 0.0000467300000000 ] - [ -0.0127697200000000, -0.0001406800000000, 0.0001468300000000 ] - [ 0.0000012400000000, -0.0000003200000000, -0.0000686100000000 ] - [ 0.0000004700000000, -0.0000000100000000, -0.0000741600000000 ] - [ 0.0000011900000000, -0.0000003500000000, 0.0000303300000000 ] - [ 0.0000000600000000, -0.0000000600000000, -0.0000229900000000 ] - [ 0.0000017200000000, -0.0000002700000000, 0.0000778800000000 ] - [ 0.0000004500000000, -0.0000000500000000, 0.0001166900000000 ] - [ 0.0008969300000000, -0.0000090900000000, -0.0000301000000000 ] - [ -0.0000003000000000, 0.0000000300000000, 0.0001405300000000 ] - [ 0.0000002800000000, -0.0000000800000000, 0.0001071900000000 ] - [ 0.0000004500000000, 0.0000001400000000, 0.0000472200000000 ] - [ 0.0000008300000000, -0.0000001700000000, -0.0000168900000000 ] - [ 0.0000007800000000, -0.0000000800000000, -0.0000659200000000 ] - [ 0.0000017600000000, 0.0000000900000000, 0.0000480400000000 ] - [ -0.0000004500000000, -0.0000001600000000, 0.0000937000000000 ] - [ 0.0008226400000000, -0.0000521300000000, -0.0001223000000000 ] - [ -0.0000002900000000, 0.0000001100000000, -0.0002329000000000 ] - [ 0.0000001500000000, -0.0000000800000000, -0.0002268000000000 ] - [ 0.0000006600000000, -0.0000000700000000, -0.0000350900000000 ] - [ 0.0000906000000000, 0.0000001400000000, -0.0000465400000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003774000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002914900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000383300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005290900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002075300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002810000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001204500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422206900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001115700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002809900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001392000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001640000000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004186400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002735300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000866800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000676200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000421000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002557100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423650400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001969300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017761600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000376500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000753200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001282500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103426300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002087400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002624000000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004100000000, -0.0000005600000000, -0.0000215900000000 ] - [ -0.0000761200000000, 0.0000020100000000, 0.0000655400000000 ] - [ 0.0000005300000000, -0.0000005400000000, -0.0000369900000000 ] - [ -0.0000020000000000, 0.0000003900000000, 0.0000718100000000 ] - [ 0.0109652400000000, 0.0002031500000000, -0.0001820000000000 ] - [ -0.0000001200000000, 0.0000000300000000, -0.0001714700000000 ] - [ 0.0000002100000000, -0.0000005800000000, 0.0000224300000000 ] - [ -0.0000004600000000, 0.0000004100000000, -0.0000826700000000 ] - [ -0.0000305400000000, 0.0000008300000000, 0.0002119400000000 ] - [ -0.0000016300000000, 0.0000004900000000, -0.0001293100000000 ] - [ 0.0000012700000000, -0.0000005500000000, 0.0000091800000000 ] - [ 0.0000007400000000, -0.0000005600000000, 0.0000312900000000 ] - [ 0.0000015700000000, -0.0000005700000000, -0.0000519000000000 ] - [ 0.0000017000000000, -0.0000005800000000, 0.0000194300000000 ] - [ -0.0000002000000000, 0.0000002900000000, 0.0000351900000000 ] - [ -0.0000003000000000, -0.0000001200000000, 0.0000613500000000 ] - [ -0.0000021600000000, 0.0000001000000000, 0.0000927700000000 ] - [ 0.0000904700000000, 0.0000000900000000, 0.0001060700000000 ] - [ 0.0000016800000000, -0.0000002000000000, 0.0001343200000000 ] - [ 0.0008224700000000, -0.0000519400000000, -0.0000784100000000 ] - [ -0.0000001900000000, -0.0000000600000000, -0.0000415500000000 ] - [ 0.0000017500000000, -0.0000001300000000, 0.0000470700000000 ] - [ 0.0000011200000000, -0.0000001700000000, -0.0000996600000000 ] - [ -0.0127717900000000, -0.0001404500000000, 0.0001773400000000 ] - [ -0.0000005300000000, -0.0000000100000000, -0.0000737000000000 ] - [ 0.0000014600000000, -0.0000003400000000, 0.0000311000000000 ] - [ -0.0000000900000000, -0.0000000700000000, -0.0000227600000000 ] - [ 0.0000015100000000, -0.0000002600000000, 0.0000780200000000 ] - [ 0.0008978400000000, -0.0000087600000000, 0.0001298100000000 ] - [ 0.0000001000000000, -0.0000003700000000, -0.0000439400000000 ] - [ 0.0000003500000000, 0.0000000100000000, 0.0001401700000000 ] - [ 0.0000007900000000, 0.0000000100000000, 0.0001067700000000 ] - [ 0.0000004200000000, 0.0000001400000000, 0.0000469600000000 ] - [ 0.0000001700000000, -0.0000001700000000, -0.0000171000000000 ] - [ 0.0000008100000000, -0.0000000700000000, -0.0000663600000000 ] - [ 0.0000015300000000, 0.0000001000000000, 0.0000487200000000 ] - [ 0.0000903200000000, -0.0000007800000000, 0.0000938700000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0000997200000000 ] - [ 0.0000007200000000, 0.0000001300000000, -0.0002324200000000 ] - [ 0.0000006100000000, -0.0000000900000000, -0.0002273000000000 ] - [ 0.0000006700000000, -0.0000001600000000, -0.0000356400000000 ] - [ -0.0000003100000000, -0.0000001000000000, -0.0000466500000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003773500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004368200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001569600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003222100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003327900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002135200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002449500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002737400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003194400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003076300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001301000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001035000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019043100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001401200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002264100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001643300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001117000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000824900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001465200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241600000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001043400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004270700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001798800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002968500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001400900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102985300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002561800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001471100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016166900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001378100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002723200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002276800000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000234000000000, -0.0000006600000000, -0.0000230400000000 ] - [ -0.0000004800000000, 0.0000004300000000, 0.0000640400000000 ] - [ -0.0001869100000000, 0.0000015200000000, -0.0000366700000000 ] - [ -0.0000002500000000, 0.0000003900000000, 0.0000742600000000 ] - [ 0.0000008200000000, -0.0000005500000000, 0.0000600600000000 ] - [ -0.0000001300000000, -0.0000000200000000, -0.0001751700000000 ] - [ 0.0000024900000000, -0.0000000700000000, 0.0000238900000000 ] - [ -0.0000017300000000, 0.0000004400000000, -0.0000809500000000 ] - [ -0.0000011500000000, 0.0000005000000000, 0.0002161100000000 ] - [ 0.0000003400000000, 0.0000004100000000, -0.0001273300000000 ] - [ 0.0000008600000000, -0.0000005800000000, 0.0000096800000000 ] - [ 0.0000018100000000, -0.0000005300000000, 0.0000324900000000 ] - [ 0.0107562000000000, -0.0002061200000000, -0.0002994400000000 ] - [ 0.0000016600000000, -0.0000005800000000, 0.0000215200000000 ] - [ 0.0008914500000000, -0.0000108700000000, 0.0000436600000000 ] - [ 0.0000003800000000, -0.0000000600000000, 0.0000673100000000 ] - [ 0.0000004700000000, 0.0000000600000000, 0.0000953200000000 ] - [ -0.0000011500000000, -0.0000001200000000, 0.0001032500000000 ] - [ 0.0000010900000000, -0.0000002300000000, 0.0001306000000000 ] - [ -0.0000001500000000, 0.0000001200000000, -0.0000547800000000 ] - [ -0.0000005800000000, -0.0000001100000000, -0.0000458800000000 ] - [ -0.0000713200000000, 0.0000006300000000, 0.0000427100000000 ] - [ 0.0000011100000000, -0.0000001800000000, -0.0001042400000000 ] - [ 0.0000000100000000, -0.0000002900000000, -0.0000690100000000 ] - [ -0.0121754600000000, 0.0001656800000000, 0.0001776500000000 ] - [ -0.0000694900000000, -0.0000004300000000, 0.0000305300000000 ] - [ -0.0000005800000000, -0.0000001100000000, -0.0000260100000000 ] - [ 0.0000009600000000, -0.0000002500000000, 0.0000751100000000 ] - [ 0.0000008200000000, -0.0000001400000000, 0.0001181800000000 ] - [ 0.0000007700000000, -0.0000002200000000, -0.0000385200000000 ] - [ -0.0000000600000000, 0.0000000500000000, 0.0001441700000000 ] - [ -0.0000000900000000, -0.0000000400000000, 0.0001065900000000 ] - [ 0.0000005400000000, 0.0000002700000000, 0.0000501900000000 ] - [ 0.0000004700000000, -0.0000001700000000, -0.0000143800000000 ] - [ 0.0008244000000000, 0.0000522800000000, -0.0000877100000000 ] - [ 0.0000000800000000, -0.0000000400000000, 0.0000417900000000 ] - [ -0.0000012800000000, -0.0000001300000000, 0.0000935700000000 ] - [ 0.0000002100000000, 0.0000000100000000, -0.0000949600000000 ] - [ 0.0000007200000000, 0.0000000600000000, -0.0002371700000000 ] - [ 0.0000003200000000, -0.0000000600000000, -0.0002228600000000 ] - [ 0.0000004400000000, -0.0000001900000000, -0.0000321500000000 ] - [ -0.0000010300000000, -0.0000001200000000, -0.0000523900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005330300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004414000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001442100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003492600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299841900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001363900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002794400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002626700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001557800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003227300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002881900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001635400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099925200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002760300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000515500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001288300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003678800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002809600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002472600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002028100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002216500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001231100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001343500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002275600000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000007300000000, -0.0000005800000000, -0.0000216600000000 ] - [ -0.0000004700000000, 0.0000004200000000, 0.0000625700000000 ] - [ 0.0109600800000000, 0.0002028800000000, -0.0002775400000000 ] - [ -0.0000008700000000, 0.0000004000000000, 0.0000718100000000 ] - [ 0.0000015400000000, -0.0000005900000000, 0.0000588200000000 ] - [ 0.0000014800000000, -0.0000004200000000, -0.0001697800000000 ] - [ 0.0000003900000000, -0.0000005800000000, 0.0000224000000000 ] - [ -0.0000016100000000, 0.0000003900000000, -0.0000827000000000 ] - [ -0.0000750400000000, 0.0000021600000000, 0.0002150000000000 ] - [ -0.0000019400000000, 0.0000004900000000, -0.0001293600000000 ] - [ 0.0000002300000000, -0.0000005500000000, 0.0000091500000000 ] - [ 0.0000011900000000, -0.0000005500000000, 0.0000313000000000 ] - [ 0.0000219700000000, -0.0000000200000000, -0.0000536000000000 ] - [ 0.0000009600000000, -0.0000005600000000, 0.0000194100000000 ] - [ 0.0009296200000000, -0.0000508600000000, 0.0000119300000000 ] - [ 0.0000002800000000, -0.0000001300000000, 0.0000613700000000 ] - [ 0.0000003800000000, 0.0000000900000000, 0.0000927800000000 ] - [ 0.0000000200000000, -0.0000001300000000, 0.0001053100000000 ] - [ 0.0000012400000000, -0.0000002000000000, 0.0001342800000000 ] - [ -0.0000020200000000, 0.0000001900000000, -0.0000552400000000 ] - [ -0.0000004200000000, -0.0000000500000000, -0.0000416000000000 ] - [ 0.0000007800000000, -0.0000001400000000, 0.0000470800000000 ] - [ 0.0000011100000000, -0.0000001900000000, -0.0000997300000000 ] - [ 0.0000014800000000, -0.0000003400000000, -0.0000683300000000 ] - [ -0.0000698200000000, -0.0000008400000000, -0.0000739400000000 ] - [ -0.0127621700000000, -0.0001405300000000, 0.0002774900000000 ] - [ -0.0000002000000000, -0.0000000600000000, -0.0000228100000000 ] - [ 0.0000016600000000, -0.0000002700000000, 0.0000780100000000 ] - [ 0.0000000600000000, -0.0000000500000000, 0.0001164500000000 ] - [ 0.0000003500000000, -0.0000003900000000, -0.0000439700000000 ] - [ -0.0000000800000000, 0.0000000200000000, 0.0001401400000000 ] - [ 0.0008944100000000, -0.0000087300000000, 0.0001198700000000 ] - [ -0.0000001900000000, 0.0000001500000000, 0.0000469100000000 ] - [ 0.0000007600000000, -0.0000001700000000, -0.0000171400000000 ] - [ 0.0000021100000000, -0.0000002200000000, -0.0000664400000000 ] - [ 0.0000019700000000, 0.0000000900000000, 0.0000486800000000 ] - [ 0.0000898300000000, 0.0000000800000000, 0.0000949000000000 ] - [ -0.0000001400000000, -0.0000000100000000, -0.0000997000000000 ] - [ -0.0000003600000000, 0.0000001200000000, -0.0002324100000000 ] - [ 0.0000007700000000, -0.0000000800000000, -0.0002273900000000 ] - [ 0.0000001400000000, -0.0000001600000000, -0.0000356200000000 ] - [ -0.0000001800000000, -0.0000000800000000, -0.0000467200000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003788700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300566400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005255300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003319200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003340200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100966000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002453100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002742100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002232200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001076800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001494200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002518100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001395100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002271700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000839700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000576300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001235400000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004190000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004280300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004136800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001795200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002273300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003642100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003085000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102119300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001135200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002346200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002803900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425572000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000621200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002180600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001270600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001950300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002355700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004156600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003997500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002265400000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002400000000, -0.0000003700000000, -0.0000216400000000 ] - [ -0.0000012400000000, 0.0000006200000000, 0.0000625500000000 ] - [ 0.0000008400000000, -0.0000003500000000, -0.0000370200000000 ] - [ -0.0000010100000000, 0.0000006000000000, 0.0000718600000000 ] - [ -0.0000007600000000, -0.0000003900000000, 0.0000588000000000 ] - [ 0.0000003600000000, 0.0000002300000000, -0.0001714500000000 ] - [ 0.0000000200000000, -0.0000003800000000, 0.0000223700000000 ] - [ 0.0109672900000000, -0.0002031800000000, -0.0003235600000000 ] - [ -0.0000013500000000, 0.0000007900000000, 0.0002120400000000 ] - [ -0.0000002300000000, 0.0000006800000000, -0.0001293100000000 ] - [ 0.0000011500000000, -0.0000003500000000, 0.0000091700000000 ] - [ -0.0000746400000000, -0.0000019700000000, 0.0000343200000000 ] - [ -0.0000005200000000, 0.0000000700000000, -0.0000535900000000 ] - [ -0.0000287900000000, -0.0000006200000000, 0.0000194100000000 ] - [ 0.0000001000000000, 0.0000004800000000, 0.0000355100000000 ] - [ 0.0000002000000000, 0.0000000800000000, 0.0000615900000000 ] - [ 0.0000002700000000, 0.0000002000000000, 0.0000928000000000 ] - [ 0.0000013200000000, 0.0000000700000000, 0.0001052300000000 ] - [ 0.0000907200000000, -0.0000002500000000, 0.0001349300000000 ] - [ 0.0000003300000000, 0.0000003600000000, -0.0000549900000000 ] - [ 0.0000012300000000, 0.0000001400000000, -0.0000417900000000 ] - [ -0.0000002300000000, 0.0000000600000000, 0.0000469600000000 ] - [ 0.0000000100000000, 0.0000000200000000, -0.0000999900000000 ] - [ 0.0000002200000000, -0.0000001200000000, -0.0000685000000000 ] - [ -0.0000007700000000, 0.0000001900000000, -0.0000739100000000 ] - [ -0.0000002200000000, -0.0000001400000000, 0.0000307100000000 ] - [ -0.0127687300000000, 0.0001402900000000, 0.0002254600000000 ] - [ 0.0000905000000000, 0.0000005500000000, 0.0000776400000000 ] - [ -0.0000000100000000, 0.0000001500000000, 0.0001165800000000 ] - [ 0.0000005500000000, -0.0000001800000000, -0.0000437500000000 ] - [ 0.0008995000000000, 0.0000089500000000, 0.0001535300000000 ] - [ 0.0000007400000000, 0.0000001200000000, 0.0001069100000000 ] - [ -0.0000001900000000, 0.0000003500000000, 0.0000470200000000 ] - [ 0.0008233000000000, 0.0000521600000000, -0.0000403300000000 ] - [ -0.0000001200000000, 0.0000001300000000, -0.0000662200000000 ] - [ 0.0000002400000000, 0.0000002800000000, 0.0000484400000000 ] - [ 0.0000014300000000, 0.0000000400000000, 0.0000939100000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0000994600000000 ] - [ -0.0000006500000000, 0.0000003200000000, -0.0002326400000000 ] - [ -0.0000000400000000, 0.0000001000000000, -0.0002271600000000 ] - [ -0.0000018600000000, 0.0000000200000000, -0.0000355000000000 ] - [ 0.0000015800000000, 0.0000001000000000, -0.0000469400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003787700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002919100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002814300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005290500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001403900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004132300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003507400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002436300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002667800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002810600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003473000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001225000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001030800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002058700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421365600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001386200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019328800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002842800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100443500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001110800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002207900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000581500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000475500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001446500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001246800000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003314500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004281000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004140600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303926100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005699900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002263700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003644200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003925200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000736600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000833400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001344300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000600600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000713200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001258100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102586400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001346000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002736600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004154700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002283500000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002700000000, -0.0000005700000000, -0.0000232700000000 ] - [ -0.0000305300000000, 0.0000006600000000, 0.0000636100000000 ] - [ 0.0000004000000000, -0.0000005400000000, -0.0000379400000000 ] - [ -0.0000016300000000, 0.0000003800000000, 0.0000739500000000 ] - [ 0.0000005400000000, -0.0000005500000000, 0.0000597400000000 ] - [ 0.0000008100000000, -0.0000000200000000, -0.0001754900000000 ] - [ 0.0000012500000000, -0.0000005300000000, 0.0000219200000000 ] - [ -0.0000760300000000, 0.0000020200000000, -0.0000782700000000 ] - [ -0.0000023900000000, 0.0000005000000000, 0.0002157600000000 ] - [ -0.0000004900000000, 0.0000004100000000, -0.0001276500000000 ] - [ 0.0000008900000000, -0.0000005900000000, 0.0000093600000000 ] - [ 0.0000015400000000, -0.0000005400000000, 0.0000321700000000 ] - [ -0.0000000700000000, -0.0000001000000000, -0.0000590500000000 ] - [ 0.0109649400000000, 0.0002031500000000, -0.0002195900000000 ] - [ 0.0000004600000000, 0.0000002400000000, 0.0000358800000000 ] - [ -0.0000001200000000, -0.0000000600000000, 0.0000675200000000 ] - [ 0.0008224400000000, -0.0000520600000000, 0.0000722700000000 ] - [ 0.0000904000000000, -0.0000007400000000, 0.0001031000000000 ] - [ 0.0000015200000000, -0.0000002400000000, 0.0001307100000000 ] - [ -0.0000002500000000, 0.0000001100000000, -0.0000545600000000 ] - [ -0.0000000700000000, -0.0000001100000000, -0.0000457700000000 ] - [ 0.0000012900000000, -0.0000001500000000, 0.0000431500000000 ] - [ 0.0000017200000000, -0.0000001800000000, -0.0001041400000000 ] - [ 0.0000014800000000, -0.0000002900000000, -0.0000688600000000 ] - [ 0.0000006400000000, -0.0000000500000000, -0.0000756700000000 ] - [ 0.0000016500000000, -0.0000003500000000, 0.0000305700000000 ] - [ 0.0000904600000000, 0.0000001200000000, -0.0000251300000000 ] - [ -0.0127725600000000, -0.0001403500000000, 0.0003217000000000 ] - [ 0.0000007300000000, -0.0000000400000000, 0.0001184200000000 ] - [ 0.0000006800000000, -0.0000002200000000, -0.0000382700000000 ] - [ -0.0000021600000000, 0.0000000500000000, 0.0001443600000000 ] - [ 0.0000008100000000, -0.0000000800000000, 0.0001068400000000 ] - [ -0.0000001400000000, 0.0000001200000000, 0.0000504400000000 ] - [ 0.0008983900000000, -0.0000089000000000, -0.0000008600000000 ] - [ 0.0000005400000000, -0.0000000700000000, -0.0000641200000000 ] - [ 0.0000013400000000, -0.0000000400000000, 0.0000419700000000 ] - [ 0.0000000400000000, -0.0000001200000000, 0.0000937200000000 ] - [ 0.0000003300000000, 0.0000000100000000, -0.0000947000000000 ] - [ 0.0000007200000000, 0.0000000600000000, -0.0002370400000000 ] - [ 0.0000002600000000, -0.0000000600000000, -0.0002226000000000 ] - [ 0.0000001000000000, -0.0000001900000000, -0.0000318900000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0000522800000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003774900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003076600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003937900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002947900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005283200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003302300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001159000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004830200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301022500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001046600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002077400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001913300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001401300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003220100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002264200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001108300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002236000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000826500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000465200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001241200000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004271600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003741700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000391400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002270100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003854300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002315200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001361800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002560600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002403100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001253700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017506300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001366100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003986000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002101100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002267800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000014400000000, -0.0000004700000000, -0.0000215200000000 ] - [ 0.0107421000000000, 0.0002063300000000, 0.0003033900000000 ] - [ 0.0000006200000000, -0.0000004500000000, -0.0000367100000000 ] - [ -0.0000014200000000, 0.0000004800000000, 0.0000721400000000 ] - [ -0.0001879700000000, -0.0000025500000000, 0.0000581100000000 ] - [ -0.0000010900000000, 0.0000001300000000, -0.0001712000000000 ] - [ 0.0000016600000000, -0.0000005000000000, 0.0000225900000000 ] - [ -0.0000011400000000, 0.0000004800000000, -0.0000824400000000 ] - [ -0.0000003000000000, 0.0000006800000000, 0.0002122700000000 ] - [ -0.0000012700000000, 0.0000005800000000, -0.0001289800000000 ] - [ 0.0000006300000000, -0.0000004700000000, 0.0000094400000000 ] - [ 0.0000019100000000, -0.0000005700000000, 0.0000307700000000 ] - [ 0.0000001700000000, -0.0000000300000000, -0.0000534400000000 ] - [ 0.0000233400000000, -0.0000003800000000, 0.0000198800000000 ] - [ -0.0000002400000000, 0.0000003600000000, 0.0000363600000000 ] - [ 0.0000005600000000, -0.0000000400000000, 0.0000609700000000 ] - [ -0.0000718400000000, -0.0000006200000000, 0.0000930200000000 ] - [ 0.0008233700000000, -0.0000523800000000, 0.0001281500000000 ] - [ 0.0000005400000000, -0.0000001300000000, 0.0001339000000000 ] - [ -0.0000718200000000, 0.0000002400000000, -0.0000548500000000 ] - [ 0.0000003800000000, 0.0000000400000000, -0.0000421500000000 ] - [ 0.0000005300000000, -0.0000000300000000, 0.0000466800000000 ] - [ 0.0000001400000000, -0.0000001000000000, -0.0001001800000000 ] - [ 0.0008975000000000, 0.0000109500000000, -0.0000770200000000 ] - [ 0.0000001300000000, 0.0000001000000000, -0.0000744700000000 ] - [ -0.0000002000000000, -0.0000002300000000, 0.0000295500000000 ] - [ -0.0000002700000000, 0.0000000200000000, -0.0000231200000000 ] - [ 0.0000004900000000, -0.0000003200000000, 0.0000777100000000 ] - [ -0.0121608400000000, -0.0001614700000000, -0.0001364700000000 ] - [ 0.0000012400000000, -0.0000002900000000, -0.0000442000000000 ] - [ -0.0000004700000000, 0.0000001300000000, 0.0001402800000000 ] - [ 0.0000009700000000, 0.0000000000000000, 0.0001073900000000 ] - [ 0.0000006400000000, 0.0000002500000000, 0.0000469200000000 ] - [ 0.0000009700000000, -0.0000000700000000, -0.0000171300000000 ] - [ -0.0000008200000000, 0.0000000100000000, -0.0000659000000000 ] - [ 0.0000003000000000, 0.0000001700000000, 0.0000487600000000 ] - [ -0.0000020600000000, -0.0000000300000000, 0.0000932900000000 ] - [ 0.0000007100000000, 0.0000001000000000, -0.0000995600000000 ] - [ -0.0000000500000000, 0.0000001900000000, -0.0002327000000000 ] - [ -0.0000003000000000, 0.0000000200000000, -0.0002272900000000 ] - [ 0.0000017600000000, -0.0000000700000000, -0.0000353600000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0000469100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003813900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303251700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003987000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002171500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103503300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001779700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001044300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002484100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001434700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003254400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002897500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002299600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001142600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002711800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000442000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001273700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001773300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002788100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002319500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003687200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003864500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003043400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003910300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000496700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002259800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001397300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002833900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018561600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002595400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001004000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002214300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000374900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002420100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001398400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000872400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002320400000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000022500000000, -0.0000009300000000, -0.0000231100000000 ] - [ -0.0000005700000000, 0.0000005200000000, 0.0000628700000000 ] - [ 0.0000005100000000, -0.0000004500000000, -0.0000367600000000 ] - [ 0.0107417300000000, 0.0002063200000000, 0.0003126100000000 ] - [ 0.0000015500000000, -0.0000004800000000, 0.0000589900000000 ] - [ 0.0000000800000000, 0.0000001300000000, -0.0001712600000000 ] - [ 0.0000232100000000, -0.0000003900000000, 0.0000227100000000 ] - [ -0.0000010000000000, 0.0000004900000000, -0.0000824300000000 ] - [ -0.0000014200000000, 0.0000006900000000, 0.0002123100000000 ] - [ -0.0000004700000000, 0.0000005700000000, -0.0001290100000000 ] - [ -0.0001879200000000, -0.0000025100000000, 0.0000084900000000 ] - [ 0.0000004400000000, -0.0000004600000000, 0.0000315600000000 ] - [ 0.0000003900000000, -0.0000000300000000, -0.0000534500000000 ] - [ 0.0000014600000000, -0.0000004700000000, 0.0000197300000000 ] - [ 0.0000006500000000, 0.0000004000000000, 0.0000359800000000 ] - [ -0.0000729300000000, -0.0000008400000000, 0.0000617200000000 ] - [ 0.0000004800000000, 0.0000002000000000, 0.0000927500000000 ] - [ -0.0000001100000000, -0.0000000100000000, 0.0001049300000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0001338500000000 ] - [ 0.0000006100000000, 0.0000002800000000, -0.0000548800000000 ] - [ -0.0000021700000000, 0.0000000800000000, -0.0000422000000000 ] - [ 0.0000004100000000, -0.0000000500000000, 0.0000465900000000 ] - [ 0.0008964600000000, 0.0000110900000000, -0.0001083700000000 ] - [ -0.0000001300000000, -0.0000002500000000, -0.0000688100000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0000743600000000 ] - [ 0.0000001200000000, -0.0000002500000000, 0.0000299800000000 ] - [ 0.0000003100000000, 0.0000000500000000, -0.0000231600000000 ] - [ 0.0000004000000000, -0.0000001800000000, 0.0000777300000000 ] - [ 0.0000012000000000, 0.0000000400000000, 0.0001165500000000 ] - [ -0.0121589400000000, -0.0001618000000000, -0.0002958100000000 ] - [ -0.0000005000000000, 0.0000001500000000, 0.0001403500000000 ] - [ 0.0000013100000000, 0.0000000100000000, 0.0001071000000000 ] - [ -0.0000004600000000, 0.0000002700000000, 0.0000470300000000 ] - [ 0.0000017700000000, -0.0000000900000000, -0.0000170900000000 ] - [ -0.0000007800000000, 0.0000000100000000, -0.0000660400000000 ] - [ 0.0000010900000000, 0.0000000600000000, 0.0000482400000000 ] - [ -0.0000002500000000, -0.0000000500000000, 0.0000934800000000 ] - [ -0.0000718400000000, 0.0000000700000000, -0.0000995400000000 ] - [ -0.0000003400000000, 0.0000002100000000, -0.0002329500000000 ] - [ -0.0000006200000000, 0.0000000100000000, -0.0002270900000000 ] - [ 0.0000007500000000, -0.0000000700000000, -0.0000352900000000 ] - [ 0.0008235100000000, -0.0000523300000000, -0.0000239600000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003811100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003980200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303313400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003449700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001118100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002158000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002776900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002805600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003087200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016318400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002531900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003009200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003256600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002714900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001362000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000563900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001495400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101945800000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003324200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004238200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003911500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003813800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001494200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001690000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000907000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000709200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001337700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001434000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000685400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001330200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001989700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002476100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004049200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101112200000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002800000000, -0.0000004500000000, -0.0000230900000000 ] - [ -0.0000011500000000, 0.0000005200000000, 0.0000638900000000 ] - [ 0.0000011100000000, -0.0000004400000000, -0.0000377500000000 ] - [ 0.0000006300000000, 0.0000004900000000, 0.0000716700000000 ] - [ 0.0000006500000000, -0.0000004500000000, 0.0000599200000000 ] - [ -0.0000001100000000, 0.0000000900000000, -0.0001753300000000 ] - [ 0.0000003100000000, -0.0000004300000000, 0.0000220900000000 ] - [ -0.0001901900000000, 0.0000026100000000, -0.0000820600000000 ] - [ -0.0000004200000000, 0.0000006100000000, 0.0002159300000000 ] - [ 0.0000212900000000, 0.0000004100000000, -0.0001273800000000 ] - [ 0.0000004500000000, -0.0000004800000000, 0.0000095500000000 ] - [ 0.0107445300000000, -0.0002062700000000, 0.0002728600000000 ] - [ -0.0000012500000000, 0.0000000000000000, -0.0000588600000000 ] - [ 0.0000013100000000, -0.0000004700000000, 0.0000213600000000 ] - [ 0.0000009300000000, 0.0000003400000000, 0.0000359900000000 ] - [ 0.0000012600000000, 0.0000000500000000, 0.0000673600000000 ] - [ 0.0000003900000000, 0.0000001600000000, 0.0000955200000000 ] - [ -0.0000004800000000, -0.0000000100000000, 0.0001029700000000 ] - [ 0.0008227200000000, 0.0000522000000000, 0.0001537700000000 ] - [ 0.0000013100000000, 0.0000002100000000, -0.0000544900000000 ] - [ 0.0000001200000000, 0.0000001400000000, -0.0000459700000000 ] - [ -0.0000000300000000, -0.0000000500000000, 0.0000428200000000 ] - [ -0.0000001700000000, -0.0000000800000000, -0.0001042400000000 ] - [ 0.0000005000000000, -0.0000001800000000, -0.0000693300000000 ] - [ -0.0000004100000000, 0.0000000600000000, -0.0000760900000000 ] - [ -0.0000000500000000, -0.0000002500000000, 0.0000300500000000 ] - [ 0.0008992400000000, -0.0000112100000000, -0.0000342400000000 ] - [ -0.0000020200000000, -0.0000001800000000, 0.0000748600000000 ] - [ -0.0000001100000000, -0.0000000300000000, 0.0001184000000000 ] - [ -0.0000002400000000, -0.0000001200000000, -0.0000386000000000 ] - [ -0.0121597100000000, 0.0001620100000000, -0.0001060700000000 ] - [ 0.0000008400000000, 0.0000000300000000, 0.0001069300000000 ] - [ 0.0000008900000000, 0.0000002300000000, 0.0000503200000000 ] - [ -0.0000718000000000, -0.0000000700000000, -0.0000143500000000 ] - [ -0.0000001500000000, 0.0000000300000000, -0.0000640700000000 ] - [ 0.0000005200000000, 0.0000000600000000, 0.0000417100000000 ] - [ 0.0000001600000000, -0.0000000200000000, 0.0000931700000000 ] - [ 0.0000003700000000, 0.0000001100000000, -0.0000950100000000 ] - [ -0.0000000700000000, 0.0000001600000000, -0.0002372400000000 ] - [ -0.0000001100000000, 0.0000000500000000, -0.0002228200000000 ] - [ -0.0000714300000000, 0.0000006800000000, -0.0000318300000000 ] - [ 0.0000001300000000, -0.0000000200000000, -0.0000523400000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002962100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003987400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005342900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003505600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003372700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103754700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001253800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001273000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002086400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017163500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002539200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422421000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002877400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002162800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000567900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000460000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001264600000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300004800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001144900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000761900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099300300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001391200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002584200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002483200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002643600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002321000000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006300000000, -0.0000004700000000, -0.0000214600000000 ] - [ -0.0000011900000000, 0.0000005100000000, 0.0000628100000000 ] - [ -0.0001878800000000, -0.0000025100000000, -0.0000377500000000 ] - [ -0.0000005700000000, 0.0000005000000000, 0.0000720400000000 ] - [ 0.0000231500000000, -0.0000003900000000, 0.0000590700000000 ] - [ 0.0000000200000000, 0.0000001300000000, -0.0001712600000000 ] - [ 0.0000014000000000, -0.0000005000000000, 0.0000225800000000 ] - [ -0.0000012400000000, 0.0000004800000000, -0.0000825200000000 ] - [ 0.0107420000000000, 0.0002065100000000, 0.0004527900000000 ] - [ -0.0000014000000000, 0.0000005800000000, -0.0001291000000000 ] - [ 0.0000016400000000, -0.0000004700000000, 0.0000093700000000 ] - [ 0.0000005100000000, -0.0000004600000000, 0.0000315200000000 ] - [ -0.0000004600000000, -0.0000000200000000, -0.0000533900000000 ] - [ 0.0000024400000000, -0.0000009300000000, 0.0000179800000000 ] - [ -0.0000699900000000, 0.0000004500000000, 0.0000356000000000 ] - [ 0.0000004400000000, -0.0000000400000000, 0.0000615800000000 ] - [ -0.0000004600000000, 0.0000001800000000, 0.0000927500000000 ] - [ -0.0000002400000000, -0.0000000300000000, 0.0001048600000000 ] - [ 0.0000002900000000, -0.0000001100000000, 0.0001337900000000 ] - [ -0.0000718400000000, -0.0000005300000000, -0.0000546700000000 ] - [ -0.0000001300000000, 0.0000000400000000, -0.0000422200000000 ] - [ -0.0000001500000000, -0.0000000300000000, 0.0000465600000000 ] - [ -0.0000001500000000, -0.0000001000000000, -0.0001004300000000 ] - [ 0.0000004900000000, -0.0000003700000000, -0.0000688400000000 ] - [ -0.0000008300000000, 0.0000000600000000, -0.0000743100000000 ] - [ 0.0008938800000000, 0.0000108700000000, 0.0000221400000000 ] - [ 0.0000003300000000, 0.0000000300000000, -0.0000231900000000 ] - [ 0.0000004800000000, -0.0000001700000000, 0.0000776800000000 ] - [ 0.0000008500000000, 0.0000000400000000, 0.0001165000000000 ] - [ 0.0000011800000000, -0.0000002800000000, -0.0000437000000000 ] - [ 0.0000006100000000, 0.0000001200000000, 0.0001402900000000 ] - [ -0.0121602400000000, -0.0001613100000000, -0.0001434200000000 ] - [ -0.0000003300000000, 0.0000002400000000, 0.0000469900000000 ] - [ 0.0000018500000000, -0.0000000700000000, -0.0000170900000000 ] - [ -0.0000010000000000, 0.0000000200000000, -0.0000661400000000 ] - [ 0.0000007600000000, 0.0000002100000000, 0.0000480200000000 ] - [ 0.0008237800000000, -0.0000524000000000, 0.0001168000000000 ] - [ 0.0000007000000000, 0.0000000900000000, -0.0000993700000000 ] - [ 0.0000002600000000, 0.0000002100000000, -0.0002330200000000 ] - [ -0.0000009100000000, 0.0000000100000000, -0.0002270900000000 ] - [ 0.0000012500000000, -0.0000000700000000, -0.0000353500000000 ] - [ 0.0000000900000000, 0.0000000000000000, -0.0000473800000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003823700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002962000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003099300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003349700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004406100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304743400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004878800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004157200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003378900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002465500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002810100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003077900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001774500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001035100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001432800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003263500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422909800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001674300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103400500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000450600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001496400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001257200000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000812100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004300200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003799300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003692400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000915400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000719500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001347400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002382500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017528600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001004100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000696100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002243300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421689400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001332000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002492000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004166700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002287700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109516200000000, -0.0002040300000000, 0.0002196700000000 ] - [ -0.0000010200000000, 0.0000005200000000, 0.0000632100000000 ] - [ 0.0000004300000000, -0.0000004600000000, -0.0000363200000000 ] - [ -0.0000013200000000, 0.0000004900000000, 0.0000725200000000 ] - [ 0.0000002900000000, -0.0000004900000000, 0.0000594800000000 ] - [ -0.0000752000000000, -0.0000014800000000, -0.0001737900000000 ] - [ 0.0000014600000000, -0.0000004800000000, 0.0000230400000000 ] - [ -0.0000001300000000, 0.0000004900000000, -0.0000820800000000 ] - [ 0.0000006000000000, 0.0000011400000000, 0.0002110500000000 ] - [ -0.0000003600000000, 0.0000005800000000, -0.0001286500000000 ] - [ 0.0000007400000000, -0.0000004600000000, 0.0000098100000000 ] - [ 0.0000010700000000, -0.0000004700000000, 0.0000319900000000 ] - [ -0.0000297700000000, -0.0000002800000000, -0.0000527800000000 ] - [ 0.0000002600000000, -0.0000004700000000, 0.0000201500000000 ] - [ 0.0000012000000000, 0.0000003700000000, 0.0000352500000000 ] - [ 0.0000010700000000, -0.0000000300000000, 0.0000612100000000 ] - [ 0.0000009100000000, 0.0000001800000000, 0.0000925500000000 ] - [ 0.0000001000000000, -0.0000000300000000, 0.0001050100000000 ] - [ 0.0000000600000000, -0.0000001100000000, 0.0001340000000000 ] - [ 0.0000014000000000, 0.0000002600000000, -0.0000552300000000 ] - [ 0.0000001600000000, 0.0000000300000000, -0.0000419200000000 ] - [ 0.0008225300000000, 0.0000520800000000, 0.0000700600000000 ] - [ 0.0000003900000000, -0.0000000800000000, -0.0001001000000000 ] - [ 0.0000004700000000, -0.0000002300000000, -0.0000687100000000 ] - [ 0.0000001900000000, -0.0000000100000000, -0.0000741100000000 ] - [ -0.0000001400000000, -0.0000002400000000, 0.0000305200000000 ] - [ -0.0000003000000000, 0.0000000200000000, -0.0000230300000000 ] - [ -0.0000000500000000, -0.0000001800000000, 0.0000777200000000 ] - [ 0.0000009500000000, 0.0000000400000000, 0.0001163400000000 ] - [ -0.0000001800000000, -0.0000002900000000, -0.0000441500000000 ] - [ 0.0000009000000000, 0.0000001100000000, 0.0001399800000000 ] - [ -0.0000000600000000, 0.0000000100000000, 0.0001066900000000 ] - [ -0.0127589000000000, 0.0001441100000000, -0.0002012000000000 ] - [ 0.0000010500000000, -0.0000000600000000, -0.0000173100000000 ] - [ 0.0000908600000000, 0.0000006400000000, -0.0000662000000000 ] - [ -0.0000017800000000, 0.0000001700000000, 0.0000484300000000 ] - [ 0.0000002000000000, -0.0000000700000000, 0.0000937200000000 ] - [ 0.0000013600000000, 0.0000000700000000, -0.0000997800000000 ] - [ 0.0008973700000000, 0.0000089400000000, -0.0002459700000000 ] - [ 0.0000909500000000, -0.0000002400000000, -0.0002282700000000 ] - [ 0.0000008300000000, -0.0000000600000000, -0.0000357300000000 ] - [ -0.0000002400000000, 0.0000000000000000, -0.0000470300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0302778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002894800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002796200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001375600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003442600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003212300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003328200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002753600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002797100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001080600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003242000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424579200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001255600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0300958200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003201900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004293700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001391600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002740800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005654000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003772500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001414700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001157800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002347100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000631300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000381500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001327700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020235200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004409300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002147600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002270800000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000016700000000, -0.0000004600000000, -0.0000230000000000 ] - [ -0.0000003000000000, 0.0000005200000000, 0.0000640100000000 ] - [ 0.0000013900000000, -0.0000004400000000, -0.0000376500000000 ] - [ -0.0000012900000000, 0.0000004900000000, 0.0000742900000000 ] - [ 0.0000006000000000, -0.0000004500000000, 0.0000600400000000 ] - [ 0.0000009700000000, 0.0000000900000000, -0.0001752400000000 ] - [ 0.0000005700000000, -0.0000004300000000, 0.0000222000000000 ] - [ 0.0107418400000000, 0.0002063800000000, 0.0001595500000000 ] - [ -0.0000009700000000, 0.0000006000000000, 0.0002160500000000 ] - [ -0.0000012100000000, 0.0000005100000000, -0.0001273400000000 ] - [ 0.0000023500000000, -0.0000009400000000, 0.0000080200000000 ] - [ 0.0000231300000000, -0.0000003400000000, 0.0000325800000000 ] - [ -0.0000011000000000, 0.0000000000000000, -0.0000587400000000 ] - [ -0.0001880500000000, -0.0000025400000000, 0.0000205100000000 ] - [ 0.0000006300000000, 0.0000003500000000, 0.0000362600000000 ] - [ 0.0000005600000000, 0.0000000500000000, 0.0000674300000000 ] - [ -0.0000719500000000, 0.0000001500000000, 0.0000955800000000 ] - [ -0.0000021200000000, 0.0000000100000000, 0.0001029900000000 ] - [ 0.0000004600000000, -0.0000002800000000, 0.0001305300000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0000542500000000 ] - [ -0.0000003300000000, 0.0000000000000000, -0.0000458400000000 ] - [ 0.0000000100000000, -0.0000000500000000, 0.0000429100000000 ] - [ 0.0000004900000000, -0.0000000700000000, -0.0001040800000000 ] - [ -0.0000001800000000, -0.0000001800000000, -0.0000693500000000 ] - [ -0.0000001800000000, 0.0000000600000000, -0.0000760700000000 ] - [ 0.0000004200000000, -0.0000002500000000, 0.0000299900000000 ] - [ 0.0008230100000000, -0.0000523400000000, -0.0000028400000000 ] - [ 0.0008980000000000, 0.0000110400000000, 0.0000668800000000 ] - [ 0.0000008800000000, -0.0000000300000000, 0.0001186000000000 ] - [ 0.0000017700000000, -0.0000001200000000, -0.0000385700000000 ] - [ -0.0000719600000000, -0.0000006500000000, 0.0001446900000000 ] - [ 0.0000018100000000, 0.0000000300000000, 0.0001071700000000 ] - [ 0.0000006800000000, 0.0000002300000000, 0.0000504600000000 ] - [ -0.0121618000000000, -0.0001614700000000, -0.0002699700000000 ] - [ -0.0000003700000000, 0.0000000400000000, -0.0000638400000000 ] - [ 0.0000003700000000, 0.0000000700000000, 0.0000418400000000 ] - [ 0.0000004000000000, -0.0000000200000000, 0.0000931100000000 ] - [ -0.0000005100000000, 0.0000001200000000, -0.0000949400000000 ] - [ -0.0000001300000000, 0.0000001700000000, -0.0002371000000000 ] - [ -0.0000003700000000, 0.0000000500000000, -0.0002227400000000 ] - [ 0.0000008600000000, -0.0000000900000000, -0.0000320200000000 ] - [ 0.0000002800000000, -0.0000000100000000, -0.0000521500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003813300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002939800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002851100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003343100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301799100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003488100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003367200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000994300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003040800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001269100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000750800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102201000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018145200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003766300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000866000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000438100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001272500000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003373700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004232700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004343500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001860900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003805200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005760700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003031600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001380400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000433300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002254500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002835200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002576100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017113100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000633900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000883000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001300400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420285000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001393300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004195800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002318900000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000744000000000, 0.0000012100000000, -0.0000241600000000 ] - [ -0.0000012100000000, 0.0000006100000000, 0.0000632500000000 ] - [ -0.0000288600000000, -0.0000001100000000, -0.0000363300000000 ] - [ -0.0000011900000000, 0.0000005900000000, 0.0000725000000000 ] - [ -0.0000008100000000, -0.0000003800000000, 0.0000594300000000 ] - [ 0.0000006000000000, 0.0000002400000000, -0.0001708800000000 ] - [ 0.0000011700000000, -0.0000003900000000, 0.0000229400000000 ] - [ -0.0000013900000000, 0.0000005800000000, -0.0000820600000000 ] - [ -0.0000010100000000, 0.0000007900000000, 0.0002126800000000 ] - [ -0.0000004900000000, 0.0000006800000000, -0.0001286400000000 ] - [ 0.0000000100000000, -0.0000003600000000, 0.0000098100000000 ] - [ -0.0000003700000000, -0.0000003700000000, 0.0000319900000000 ] - [ 0.0109554700000000, 0.0002036700000000, 0.0001875900000000 ] - [ 0.0000009800000000, -0.0000003700000000, 0.0000201600000000 ] - [ 0.0000896700000000, -0.0000001300000000, 0.0000364200000000 ] - [ -0.0000002100000000, 0.0000000700000000, 0.0000611200000000 ] - [ -0.0000004100000000, 0.0000002700000000, 0.0000926000000000 ] - [ -0.0000011000000000, 0.0000000700000000, 0.0001047100000000 ] - [ 0.0000000200000000, -0.0000000200000000, 0.0001336600000000 ] - [ 0.0000000100000000, 0.0000003500000000, -0.0000549300000000 ] - [ -0.0000004900000000, 0.0000001400000000, -0.0000424000000000 ] - [ 0.0008981700000000, -0.0000086600000000, 0.0000332000000000 ] - [ 0.0000003400000000, 0.0000000100000000, -0.0001004900000000 ] - [ 0.0000005300000000, -0.0000001300000000, -0.0000690900000000 ] - [ 0.0008234800000000, -0.0000519400000000, -0.0000513100000000 ] - [ 0.0000017600000000, -0.0000000700000000, 0.0000295700000000 ] - [ -0.0000006100000000, 0.0000001300000000, -0.0000233300000000 ] - [ 0.0000002500000000, -0.0000000700000000, 0.0000775200000000 ] - [ -0.0000007800000000, 0.0000001500000000, 0.0001164700000000 ] - [ -0.0000010900000000, -0.0000001900000000, -0.0000440600000000 ] - [ -0.0000005600000000, 0.0000002200000000, 0.0001402000000000 ] - [ -0.0000011500000000, 0.0000001000000000, 0.0001071400000000 ] - [ 0.0000905800000000, 0.0000005800000000, 0.0000461200000000 ] - [ -0.0000002400000000, 0.0000000200000000, -0.0000172200000000 ] - [ -0.0127455800000000, -0.0001483900000000, -0.0003131900000000 ] - [ 0.0000001600000000, 0.0000002800000000, 0.0000482900000000 ] - [ 0.0000009600000000, 0.0000000600000000, 0.0000931900000000 ] - [ -0.0000002000000000, 0.0000001800000000, -0.0000995500000000 ] - [ -0.0000021800000000, 0.0000003200000000, -0.0002330000000000 ] - [ 0.0000016600000000, 0.0000001200000000, -0.0002272500000000 ] - [ -0.0000003700000000, 0.0000000400000000, -0.0000354000000000 ] - [ -0.0000011100000000, 0.0000001000000000, -0.0000472800000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000647400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002815500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001410800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003461700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002398400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002706700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003086600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001215200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001325900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017838000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002011400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002521900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002943900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002841200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425181500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001252600000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000116200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003374400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004290200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003774400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005710000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002279100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003656800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003887200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001806500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001148800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000846000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000714500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002787800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001407200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002015500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000362900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000737000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001684600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420546400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004014700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002265900000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000014300000000, -0.0000005800000000, -0.0000212400000000 ] - [ -0.0000019600000000, 0.0000004200000000, 0.0000629200000000 ] - [ 0.0000007800000000, -0.0000005400000000, -0.0000366100000000 ] - [ -0.0000281900000000, 0.0000006600000000, 0.0000720900000000 ] - [ 0.0000012500000000, -0.0000005800000000, 0.0000591800000000 ] - [ -0.0001897800000000, -0.0000020300000000, -0.0001701900000000 ] - [ 0.0107661700000000, 0.0002058500000000, -0.0002182800000000 ] - [ -0.0000007900000000, 0.0000004100000000, -0.0000823100000000 ] - [ -0.0000016000000000, 0.0000006000000000, 0.0002123700000000 ] - [ -0.0000024500000000, 0.0000004800000000, -0.0001289700000000 ] - [ 0.0000003800000000, -0.0000005500000000, 0.0000094900000000 ] - [ 0.0000003800000000, -0.0000005600000000, 0.0000316400000000 ] - [ -0.0000001800000000, -0.0000001200000000, -0.0000532100000000 ] - [ 0.0000005200000000, -0.0000005600000000, 0.0000197500000000 ] - [ 0.0000005200000000, 0.0000002800000000, 0.0000346800000000 ] - [ 0.0007195000000000, -0.0000532400000000, 0.0000375100000000 ] - [ -0.0000001500000000, 0.0000001000000000, 0.0000925900000000 ] - [ -0.0000003500000000, -0.0000001300000000, 0.0001052000000000 ] - [ 0.0000017200000000, -0.0000002000000000, 0.0001341800000000 ] - [ -0.0000000200000000, 0.0000001700000000, -0.0000554100000000 ] - [ -0.0000000200000000, -0.0000000500000000, -0.0000416800000000 ] - [ 0.0000008000000000, -0.0000001300000000, 0.0000469600000000 ] - [ 0.0000013200000000, -0.0000001900000000, -0.0000997600000000 ] - [ 0.0000011700000000, -0.0000003200000000, -0.0000684300000000 ] - [ -0.0000005000000000, -0.0000000100000000, -0.0000737700000000 ] - [ 0.0000016100000000, -0.0000003300000000, 0.0000311300000000 ] - [ -0.0000004000000000, -0.0000000700000000, -0.0000229400000000 ] - [ 0.0000012100000000, -0.0000002600000000, 0.0000778800000000 ] - [ 0.0000001200000000, -0.0000000500000000, 0.0001162300000000 ] - [ 0.0000009700000000, -0.0000002800000000, -0.0000443000000000 ] - [ 0.0000003000000000, 0.0000000200000000, 0.0001399200000000 ] - [ 0.0000006700000000, -0.0000000800000000, 0.0001064100000000 ] - [ -0.0000020700000000, 0.0000001800000000, 0.0000466600000000 ] - [ 0.0000005000000000, -0.0000001600000000, -0.0000173500000000 ] - [ 0.0000001700000000, -0.0000000700000000, -0.0000666900000000 ] - [ -0.0121829600000000, -0.0001582500000000, 0.0003051500000000 ] - [ -0.0000003800000000, -0.0000001600000000, 0.0000940800000000 ] - [ -0.0000002300000000, 0.0000000000000000, -0.0000999500000000 ] - [ -0.0000725500000000, 0.0000001100000000, -0.0002323600000000 ] - [ 0.0009006800000000, 0.0000111700000000, -0.0002195500000000 ] - [ 0.0000006500000000, -0.0000001600000000, -0.0000359100000000 ] - [ 0.0000817500000000, -0.0000008000000000, -0.0000471500000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003986200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001440700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004177600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002149100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101327000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001305100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002229100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002529900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003253500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002885300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001661700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002691300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015605500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001614700000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003339000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004224200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003218600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004485500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302390400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002306900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003006800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003796300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001415900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000847900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000478600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002338800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002230400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001369400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002828500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002030500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001038800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002124700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002421300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002663300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007800000000, -0.0000003900000000, -0.0000216900000000 ] - [ -0.0000002200000000, 0.0000006000000000, 0.0000626800000000 ] - [ -0.0000289900000000, -0.0000006100000000, -0.0000370900000000 ] - [ -0.0000016200000000, 0.0000005900000000, 0.0000718900000000 ] - [ -0.0000744500000000, -0.0000020000000000, 0.0000617900000000 ] - [ -0.0000004100000000, 0.0000002200000000, -0.0001714700000000 ] - [ 0.0000008400000000, -0.0000003900000000, 0.0000224500000000 ] - [ -0.0000009200000000, 0.0000005800000000, -0.0000826600000000 ] - [ 0.0109663600000000, -0.0002029900000000, -0.0000287100000000 ] - [ -0.0000005400000000, 0.0000006700000000, -0.0001292700000000 ] - [ -0.0000002800000000, -0.0000003800000000, 0.0000092000000000 ] - [ -0.0000000500000000, -0.0000003800000000, 0.0000313300000000 ] - [ -0.0000001400000000, 0.0000000700000000, -0.0000535900000000 ] - [ 0.0000012800000000, -0.0000003700000000, 0.0000195200000000 ] - [ 0.0000016300000000, 0.0000003600000000, 0.0000355200000000 ] - [ -0.0000000700000000, 0.0000000700000000, 0.0000608700000000 ] - [ -0.0000003100000000, 0.0000002700000000, 0.0000927500000000 ] - [ 0.0000013200000000, 0.0000000600000000, 0.0001052600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001343100000000 ] - [ 0.0008980000000000, 0.0000090900000000, -0.0000417300000000 ] - [ 0.0000009400000000, 0.0000001400000000, -0.0000416400000000 ] - [ 0.0000002300000000, 0.0000000500000000, 0.0000471600000000 ] - [ -0.0000004300000000, -0.0000000100000000, -0.0000996600000000 ] - [ 0.0000905900000000, -0.0000003900000000, -0.0000676300000000 ] - [ -0.0000016800000000, 0.0000001800000000, -0.0000737900000000 ] - [ 0.0000898300000000, 0.0000005000000000, 0.0000305000000000 ] - [ 0.0000013400000000, 0.0000001200000000, -0.0000227900000000 ] - [ 0.0000000900000000, -0.0000000800000000, 0.0000780100000000 ] - [ -0.0000018800000000, 0.0000001200000000, 0.0001164300000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0000442400000000 ] - [ 0.0000002800000000, 0.0000002100000000, 0.0001402000000000 ] - [ 0.0008240500000000, 0.0000522400000000, 0.0000836000000000 ] - [ 0.0000003900000000, 0.0000003400000000, 0.0000468700000000 ] - [ 0.0000007500000000, 0.0000000300000000, -0.0000171300000000 ] - [ 0.0000014400000000, 0.0000001100000000, -0.0000662700000000 ] - [ 0.0000000700000000, 0.0000002700000000, 0.0000491400000000 ] - [ -0.0127659600000000, 0.0001406000000000, 0.0003412600000000 ] - [ -0.0000002000000000, 0.0000001900000000, -0.0000997500000000 ] - [ -0.0000010800000000, 0.0000003000000000, -0.0002322100000000 ] - [ -0.0000007100000000, 0.0000001100000000, -0.0002274400000000 ] - [ 0.0000002200000000, 0.0000000200000000, -0.0000355400000000 ] - [ 0.0000011300000000, 0.0000000900000000, -0.0000464200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003779600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004827600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003349200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002025200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002411600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017298200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000724300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001487000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001388600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003222400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001633000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001090900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002228900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420145500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000482700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001443700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001259800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004176300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004279100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300932800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002265400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001124900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000854200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000420000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017947900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002771400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000357900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002444200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002272100000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003400000000, -0.0000004700000000, -0.0000215200000000 ] - [ -0.0000004000000000, 0.0000005100000000, 0.0000628600000000 ] - [ 0.0000002200000000, -0.0000004500000000, -0.0000368000000000 ] - [ 0.0000212300000000, 0.0000004000000000, 0.0000721500000000 ] - [ 0.0000011000000000, -0.0000004900000000, 0.0000589800000000 ] - [ -0.0000017400000000, 0.0000001300000000, -0.0001712900000000 ] - [ 0.0000004000000000, -0.0000004900000000, 0.0000226000000000 ] - [ -0.0000011800000000, 0.0000004800000000, -0.0000824800000000 ] - [ -0.0000001400000000, 0.0000007000000000, 0.0002122700000000 ] - [ -0.0001898700000000, 0.0000026400000000, -0.0001300200000000 ] - [ 0.0107439300000000, -0.0002062900000000, 0.0002499300000000 ] - [ 0.0000011600000000, -0.0000004600000000, 0.0000315400000000 ] - [ -0.0000000300000000, -0.0000000300000000, -0.0000534500000000 ] - [ 0.0000008000000000, -0.0000004700000000, 0.0000196900000000 ] - [ 0.0000009200000000, 0.0000003500000000, 0.0000361200000000 ] - [ 0.0000003000000000, -0.0000000200000000, 0.0000608900000000 ] - [ 0.0000013200000000, 0.0000001800000000, 0.0000926600000000 ] - [ 0.0000002600000000, -0.0000000300000000, 0.0001048400000000 ] - [ -0.0000019800000000, -0.0000001600000000, 0.0001339300000000 ] - [ 0.0000008500000000, 0.0000002600000000, -0.0000548400000000 ] - [ 0.0008974300000000, -0.0000111500000000, -0.0000501100000000 ] - [ 0.0000004700000000, -0.0000000300000000, 0.0000466800000000 ] - [ 0.0008226500000000, 0.0000522400000000, -0.0000768900000000 ] - [ 0.0000000300000000, -0.0000002400000000, -0.0000689300000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0000744100000000 ] - [ -0.0000000800000000, -0.0000002100000000, 0.0000297600000000 ] - [ -0.0000004900000000, 0.0000000200000000, -0.0000231200000000 ] - [ 0.0000005400000000, -0.0000001700000000, 0.0000777100000000 ] - [ 0.0000007900000000, 0.0000000500000000, 0.0001165300000000 ] - [ -0.0000715700000000, 0.0000004800000000, -0.0000439200000000 ] - [ 0.0000004100000000, 0.0000001200000000, 0.0001401700000000 ] - [ 0.0000009800000000, 0.0000000200000000, 0.0001071800000000 ] - [ 0.0000013900000000, 0.0000002500000000, 0.0000468400000000 ] - [ -0.0000000600000000, -0.0000000700000000, -0.0000172100000000 ] - [ -0.0000000500000000, 0.0000000200000000, -0.0000660600000000 ] - [ 0.0000001100000000, 0.0000001600000000, 0.0000486900000000 ] - [ -0.0000003300000000, -0.0000000600000000, 0.0000933400000000 ] - [ -0.0121586800000000, 0.0001619100000000, -0.0003517500000000 ] - [ 0.0000002400000000, 0.0000002000000000, -0.0002326800000000 ] - [ 0.0000002500000000, 0.0000000200000000, -0.0002273800000000 ] - [ -0.0000716900000000, -0.0000000700000000, -0.0000355900000000 ] - [ 0.0000003100000000, 0.0000001500000000, -0.0000469000000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002953200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002993700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004410800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003380200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002476400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002840700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101408700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002550200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001934500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002282000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001653500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000567500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001983500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001201800000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004238000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004452000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002793200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000761800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101625500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002046900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001382700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004023900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002679800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002256400000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001874700000000, 0.0000014800000000, -0.0000202600000000 ] - [ -0.0000017200000000, 0.0000004100000000, 0.0000628800000000 ] - [ 0.0000008100000000, -0.0000005500000000, -0.0000365700000000 ] - [ -0.0000005200000000, 0.0000003800000000, 0.0000722000000000 ] - [ 0.0000016100000000, -0.0000005900000000, 0.0000592100000000 ] - [ 0.0107572700000000, -0.0002060200000000, -0.0004117800000000 ] - [ 0.0000234500000000, -0.0000006800000000, 0.0000226900000000 ] - [ 0.0000003600000000, 0.0000003900000000, -0.0000823500000000 ] - [ -0.0000005300000000, 0.0000006000000000, 0.0002124100000000 ] - [ -0.0000002400000000, 0.0000004900000000, -0.0001289500000000 ] - [ 0.0000025300000000, -0.0000001000000000, 0.0000111500000000 ] - [ 0.0000007200000000, -0.0000005600000000, 0.0000316500000000 ] - [ 0.0000007400000000, -0.0000001100000000, -0.0000531300000000 ] - [ 0.0000019700000000, -0.0000005600000000, 0.0000197900000000 ] - [ -0.0000001200000000, 0.0000002700000000, 0.0000345800000000 ] - [ 0.0000008300000000, 0.0000000100000000, 0.0000610400000000 ] - [ -0.0000000500000000, 0.0000000900000000, 0.0000925300000000 ] - [ -0.0000004800000000, -0.0000001400000000, 0.0001053500000000 ] - [ 0.0000010800000000, -0.0000002100000000, 0.0001343300000000 ] - [ 0.0000004900000000, 0.0000001600000000, -0.0000554800000000 ] - [ -0.0000010200000000, -0.0000000700000000, -0.0000414900000000 ] - [ -0.0000713400000000, -0.0000001400000000, 0.0000472500000000 ] - [ -0.0000001300000000, -0.0000002000000000, -0.0000995800000000 ] - [ 0.0000009800000000, -0.0000003300000000, -0.0000682900000000 ] - [ 0.0000006100000000, -0.0000000300000000, -0.0000736200000000 ] - [ 0.0000000300000000, -0.0000003400000000, 0.0000313100000000 ] - [ -0.0000005900000000, -0.0000000900000000, -0.0000227800000000 ] - [ 0.0000011100000000, -0.0000002700000000, 0.0000779800000000 ] - [ 0.0000004400000000, -0.0000000600000000, 0.0001162200000000 ] - [ 0.0000001700000000, -0.0000003800000000, -0.0000443400000000 ] - [ 0.0000002400000000, 0.0000000100000000, 0.0001398400000000 ] - [ 0.0000008800000000, -0.0000000900000000, 0.0001063000000000 ] - [ 0.0008974500000000, -0.0000110600000000, 0.0000546300000000 ] - [ 0.0000005000000000, -0.0000001600000000, -0.0000173900000000 ] - [ -0.0000014200000000, -0.0000001000000000, -0.0000668000000000 ] - [ -0.0000717900000000, 0.0000008700000000, 0.0000484300000000 ] - [ -0.0000011400000000, -0.0000001800000000, 0.0000942000000000 ] - [ 0.0000004700000000, -0.0000000100000000, -0.0001000700000000 ] - [ -0.0121801800000000, 0.0001658600000000, 0.0000205500000000 ] - [ 0.0008238500000000, 0.0000522400000000, -0.0002510000000000 ] - [ 0.0000007800000000, -0.0000001700000000, -0.0000360100000000 ] - [ -0.0000006000000000, -0.0000000900000000, -0.0000466300000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002962800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003453900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001453500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003441200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003264800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003378400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002095900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001541600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002564900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002881600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002722800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000847300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001281800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003232200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004179700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003676100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003795900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001426300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001098600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000867000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000741700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002221100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002475700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002562800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001035600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000370300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002431300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001868400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000830500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002771700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002144700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002297200000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000289600000000, -0.0000001400000000, -0.0000209300000000 ] - [ -0.0000014200000000, 0.0000006100000000, 0.0000631900000000 ] - [ -0.0000007900000000, -0.0000003700000000, -0.0000363600000000 ] - [ -0.0000031100000000, 0.0000005800000000, 0.0000724700000000 ] - [ 0.0000008200000000, -0.0000004000000000, 0.0000593800000000 ] - [ 0.0109560600000000, 0.0002038200000000, 0.0000698400000000 ] - [ -0.0000741800000000, 0.0000011900000000, 0.0000199700000000 ] - [ -0.0000004500000000, 0.0000005700000000, -0.0000821200000000 ] - [ -0.0000012000000000, 0.0000007800000000, 0.0002126400000000 ] - [ -0.0000011400000000, 0.0000006700000000, -0.0001286800000000 ] - [ 0.0000011100000000, -0.0000003700000000, 0.0000097600000000 ] - [ -0.0000000900000000, -0.0000003800000000, 0.0000319300000000 ] - [ -0.0000003400000000, 0.0000000600000000, -0.0000530100000000 ] - [ -0.0000001200000000, -0.0000003800000000, 0.0000201000000000 ] - [ 0.0000000600000000, 0.0000004700000000, 0.0000356500000000 ] - [ 0.0000815200000000, 0.0000003100000000, 0.0000608500000000 ] - [ -0.0000005100000000, 0.0000002700000000, 0.0000926200000000 ] - [ -0.0000005400000000, 0.0000000500000000, 0.0001047800000000 ] - [ 0.0000005200000000, -0.0000000200000000, 0.0001336300000000 ] - [ -0.0000004100000000, 0.0000003400000000, -0.0000550400000000 ] - [ -0.0000012800000000, 0.0000001300000000, -0.0000424000000000 ] - [ 0.0000005500000000, 0.0000001500000000, 0.0000463900000000 ] - [ -0.0000002200000000, 0.0000000100000000, -0.0001006400000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0000689800000000 ] - [ -0.0000004700000000, 0.0000001900000000, -0.0000745100000000 ] - [ 0.0000004900000000, -0.0000001700000000, 0.0000299600000000 ] - [ -0.0000005300000000, 0.0000001200000000, -0.0000233400000000 ] - [ -0.0000000400000000, -0.0000000800000000, 0.0000775300000000 ] - [ -0.0000003500000000, 0.0000001300000000, 0.0001164300000000 ] - [ -0.0000004900000000, -0.0000002100000000, -0.0000437100000000 ] - [ -0.0000003100000000, 0.0000002000000000, 0.0001402300000000 ] - [ -0.0000006900000000, 0.0000000900000000, 0.0001069400000000 ] - [ 0.0000904800000000, -0.0000002900000000, 0.0000472000000000 ] - [ -0.0000002700000000, 0.0000000100000000, -0.0000171800000000 ] - [ 0.0000017100000000, 0.0000001000000000, -0.0000662100000000 ] - [ 0.0009007900000000, -0.0000084500000000, 0.0000345800000000 ] - [ -0.0000011800000000, 0.0000000300000000, 0.0000933800000000 ] - [ -0.0000000900000000, 0.0000001600000000, -0.0000993700000000 ] - [ 0.0008230700000000, -0.0000518300000000, -0.0002099400000000 ] - [ -0.0127430300000000, -0.0001479400000000, -0.0004740800000000 ] - [ -0.0000010400000000, 0.0000000200000000, -0.0000353900000000 ] - [ 0.0000058300000000, 0.0000001000000000, -0.0000475600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003945900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002822600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301285200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000198700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003236400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002087300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002765400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002819300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003094300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001326300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000743200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001086100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001050000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001364600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001611000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002719600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000791000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001281800000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003205500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004163000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000571400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005709300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002282600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003886700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003781400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001516000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000840900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002331900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001288400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002792400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002184400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000349000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001660500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001946000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017392300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000812900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002298100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005900000000, -0.0000004600000000, -0.0000229800000000 ] - [ -0.0000009400000000, 0.0000005300000000, 0.0000640200000000 ] - [ 0.0000015800000000, -0.0000004400000000, -0.0000376300000000 ] - [ -0.0000012700000000, 0.0000004800000000, 0.0000742900000000 ] - [ 0.0000013500000000, -0.0000004500000000, 0.0000600500000000 ] - [ 0.0000003700000000, 0.0000000900000000, -0.0001752100000000 ] - [ 0.0000022300000000, -0.0000008900000000, 0.0000205600000000 ] - [ -0.0000004100000000, 0.0000005300000000, -0.0000809500000000 ] - [ -0.0000005500000000, 0.0000006100000000, 0.0002160600000000 ] - [ 0.0107388300000000, 0.0002062800000000, 0.0001131200000000 ] - [ 0.0000231400000000, -0.0000003900000000, 0.0000097700000000 ] - [ -0.0001877800000000, -0.0000024900000000, 0.0000315500000000 ] - [ 0.0000009200000000, 0.0000000100000000, -0.0000587400000000 ] - [ 0.0000006100000000, -0.0000004800000000, 0.0000214900000000 ] - [ 0.0000007100000000, 0.0000003500000000, 0.0000361300000000 ] - [ -0.0000005800000000, 0.0000000400000000, 0.0000674800000000 ] - [ -0.0000004400000000, 0.0000001700000000, 0.0000956400000000 ] - [ 0.0000003600000000, -0.0000000200000000, 0.0001030800000000 ] - [ 0.0008958400000000, 0.0000110400000000, 0.0001225600000000 ] - [ 0.0000005000000000, 0.0000002100000000, -0.0000543400000000 ] - [ 0.0008225300000000, -0.0000523400000000, -0.0000225200000000 ] - [ 0.0000002500000000, -0.0000000500000000, 0.0000429400000000 ] - [ 0.0000004500000000, -0.0000002300000000, -0.0001041000000000 ] - [ 0.0000004200000000, -0.0000001800000000, -0.0000692200000000 ] - [ -0.0000002400000000, 0.0000000600000000, -0.0000759900000000 ] - [ -0.0000001400000000, -0.0000002500000000, 0.0000301500000000 ] - [ -0.0000021600000000, 0.0000000200000000, -0.0000260900000000 ] - [ -0.0000002100000000, -0.0000001500000000, 0.0000749700000000 ] - [ 0.0000017300000000, -0.0000000300000000, 0.0001185400000000 ] - [ 0.0000008000000000, -0.0000001200000000, -0.0000385100000000 ] - [ -0.0000718600000000, 0.0000001200000000, 0.0001442600000000 ] - [ 0.0000013000000000, 0.0000000300000000, 0.0001070700000000 ] - [ 0.0000006300000000, 0.0000002300000000, 0.0000504400000000 ] - [ 0.0000008200000000, -0.0000000700000000, -0.0000141000000000 ] - [ -0.0000004000000000, 0.0000000400000000, -0.0000639300000000 ] - [ 0.0000005300000000, 0.0000000700000000, 0.0000418400000000 ] - [ -0.0000001500000000, -0.0000000200000000, 0.0000932800000000 ] - [ -0.0000719000000000, -0.0000006800000000, -0.0000946100000000 ] - [ 0.0000001700000000, 0.0000001700000000, -0.0002371000000000 ] - [ -0.0000008600000000, 0.0000000500000000, -0.0002227100000000 ] - [ -0.0121564000000000, -0.0001613800000000, -0.0002883800000000 ] - [ -0.0000003700000000, -0.0000000100000000, -0.0000521900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003810900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002986800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004390400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003598200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000895500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003380100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002158400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002472600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018657400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000699600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001114900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002556000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001434500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002883600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002294500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001662500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002247700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002735000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000548700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001275700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003372000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002785500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005759700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301596900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003809300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001513700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003823000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001153800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016499300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002374800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101046800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001374200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002574000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001493600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002042700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000639700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001967800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000844600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003271800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004185600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004011400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419988200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002317500000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000011400000000, -0.0000003700000000, -0.0000216200000000 ] - [ -0.0000015500000000, 0.0000006000000000, 0.0000625900000000 ] - [ 0.0000000100000000, -0.0000003600000000, -0.0000369300000000 ] - [ 0.0109669800000000, -0.0002031800000000, -0.0001689900000000 ] - [ -0.0000003000000000, -0.0000003900000000, 0.0000588400000000 ] - [ -0.0000022200000000, 0.0000002200000000, -0.0001714200000000 ] - [ -0.0000744700000000, -0.0000020100000000, 0.0000254300000000 ] - [ -0.0000013700000000, 0.0000005800000000, -0.0000826500000000 ] - [ -0.0000004900000000, 0.0000007800000000, 0.0002120400000000 ] - [ -0.0000012700000000, 0.0000006700000000, -0.0001292700000000 ] - [ -0.0000289000000000, -0.0000006200000000, 0.0000090600000000 ] - [ -0.0000008700000000, -0.0000003800000000, 0.0000313300000000 ] - [ -0.0000002000000000, 0.0000000500000000, -0.0000535800000000 ] - [ 0.0000009900000000, -0.0000003800000000, 0.0000194700000000 ] - [ 0.0000003300000000, 0.0000004700000000, 0.0000358800000000 ] - [ 0.0009028000000000, 0.0000088300000000, 0.0000748400000000 ] - [ 0.0000000300000000, 0.0000002800000000, 0.0000928900000000 ] - [ 0.0000010600000000, 0.0000000700000000, 0.0001051600000000 ] - [ 0.0000002000000000, -0.0000000200000000, 0.0001341000000000 ] - [ -0.0000002500000000, 0.0000003500000000, -0.0000548500000000 ] - [ 0.0000012400000000, 0.0000001200000000, -0.0000419000000000 ] - [ 0.0000001300000000, 0.0000000500000000, 0.0000468600000000 ] - [ 0.0000902900000000, 0.0000006300000000, -0.0001003600000000 ] - [ -0.0000002900000000, -0.0000001400000000, -0.0000686300000000 ] - [ -0.0000014300000000, 0.0000001800000000, -0.0000740700000000 ] - [ -0.0000000600000000, -0.0000001600000000, 0.0000304100000000 ] - [ 0.0000014200000000, 0.0000001200000000, -0.0000229400000000 ] - [ -0.0000002200000000, -0.0000000800000000, 0.0000779200000000 ] - [ 0.0000000600000000, 0.0000001400000000, 0.0001166800000000 ] - [ 0.0008234700000000, 0.0000519100000000, -0.0000668900000000 ] - [ 0.0000003100000000, 0.0000002100000000, 0.0001404100000000 ] - [ 0.0000003100000000, 0.0000001000000000, 0.0001071300000000 ] - [ -0.0000002400000000, 0.0000003300000000, 0.0000471100000000 ] - [ 0.0000006900000000, 0.0000000300000000, -0.0000169900000000 ] - [ -0.0000008500000000, 0.0000001100000000, -0.0000660000000000 ] - [ 0.0000822100000000, 0.0000000000000000, 0.0000492100000000 ] - [ 0.0000009300000000, 0.0000000400000000, 0.0000937400000000 ] - [ 0.0000002800000000, 0.0000000700000000, -0.0000992700000000 ] - [ -0.0000007000000000, 0.0000003100000000, -0.0002326800000000 ] - [ 0.0000060800000000, 0.0000001000000000, -0.0002270800000000 ] - [ -0.0000000200000000, 0.0000000200000000, -0.0000352600000000 ] - [ -0.0127652600000000, 0.0001407200000000, 0.0002002900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003780500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002913100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003942000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301541700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005280500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004357500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003336500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018563800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002801000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003057600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001309000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002209700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001058400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002059400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001500900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002497000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100229600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003228400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002269100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001646400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002703300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000779100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000448200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001468000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421811800000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003183400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001801300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000626100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005683300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002262400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003752300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001433200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016727800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002429300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102843800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001268700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002420500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000811000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002678600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004015000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002105500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424282000000000 ]