# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/255aa6c2-d59a-4aec-87fb-d3307b86d165/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 Sr2BN2F / Pnma (62) / materials id 10234](https://mdr.nims.go.jp/datasets/38a21d7a-8a10-441d-8433-9b94dc812ff5) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.808312510000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.877237860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.160998960000001 ] # c points: - symbol: B # 1 coordinates: [ 0.729073770000000, 0.750000000000000, 0.327121110000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.270926230000000, 0.250000000000000, 0.672878890000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.229073770000000, 0.750000000000000, 0.172878890000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.770926230000000, 0.250000000000000, 0.827121110000000 ] mass: 10.811000 - symbol: N # 5 coordinates: [ 0.647071320000000, 0.750000000000000, 0.434580410000000 ] mass: 14.006700 - symbol: N # 6 coordinates: [ 0.352928680000000, 0.250000000000000, 0.565419590000000 ] mass: 14.006700 - symbol: N # 7 coordinates: [ 0.147071320000000, 0.750000000000000, 0.065419590000000 ] mass: 14.006700 - symbol: N # 8 coordinates: [ 0.182155900000000, 0.250000000000000, 0.772503890000000 ] mass: 14.006700 - symbol: N # 9 coordinates: [ 0.317844100000000, 0.750000000000000, 0.272503890000000 ] mass: 14.006700 - symbol: N # 10 coordinates: [ 0.682155900000000, 0.250000000000000, 0.727496110000000 ] mass: 14.006700 - symbol: N # 11 coordinates: [ 0.817844100000000, 0.750000000000000, 0.227496110000000 ] mass: 14.006700 - symbol: N # 12 coordinates: [ 0.852928680000000, 0.250000000000000, 0.934580410000000 ] mass: 14.006700 - symbol: F # 13 coordinates: [ 0.546198500000000, 0.250000000000000, 0.101172580000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.046198500000000, 0.250000000000000, 0.398827420000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.453801500000000, 0.750000000000000, 0.898827420000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.953801500000000, 0.750000000000000, 0.601172580000000 ] mass: 18.998403 - symbol: Sr # 17 coordinates: [ 0.677217090000000, 0.750000000000000, 0.019742320000000 ] mass: 87.620000 - symbol: Sr # 18 coordinates: [ 0.822782910000000, 0.250000000000000, 0.519742320000000 ] mass: 87.620000 - symbol: Sr # 19 coordinates: [ 0.177217090000000, 0.750000000000000, 0.480257680000000 ] mass: 87.620000 - symbol: Sr # 20 coordinates: [ 0.322782910000000, 0.250000000000000, 0.980257680000000 ] mass: 87.620000 - symbol: Sr # 21 coordinates: [ 0.525730520000000, 0.750000000000000, 0.661181700000000 ] mass: 87.620000 - symbol: Sr # 22 coordinates: [ 0.474269480000000, 0.250000000000000, 0.338818300000000 ] mass: 87.620000 - symbol: Sr # 23 coordinates: [ 0.025730520000000, 0.750000000000000, 0.838818300000000 ] mass: 87.620000 - symbol: Sr # 24 coordinates: [ 0.974269480000000, 0.250000000000000, 0.161181700000000 ] mass: 87.620000 reciprocal_lattice: # without 2pi - [ 0.101954337097279, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.257915566727701, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.098415520357459 ] # c*unit_cell: lattice: - [ 9.808312510000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.877237860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.160998960000001 ] # c points: - symbol: B # 1 coordinates: [ 0.729073770000000, 0.750000000000000, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.270926230000000, 0.250000000000000, 0.672878890000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.229073770000000, 0.750000000000000, 0.172878890000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.770926230000000, 0.250000000000000, 0.827121110000000 ] mass: 10.811000 reduced_to: 4 - symbol: N # 5 coordinates: [ 0.647071320000000, 0.750000000000000, 0.434580410000000 ] mass: 14.006700 reduced_to: 5 - symbol: N # 6 coordinates: [ 0.352928680000000, 0.250000000000000, 0.565419590000000 ] mass: 14.006700 reduced_to: 6 - symbol: N # 7 coordinates: [ 0.147071320000000, 0.750000000000000, 0.065419590000000 ] mass: 14.006700 reduced_to: 7 - symbol: N # 8 coordinates: [ 0.182155900000000, 0.250000000000000, 0.772503890000000 ] mass: 14.006700 reduced_to: 8 - symbol: N # 9 coordinates: [ 0.317844100000000, 0.750000000000000, 0.272503890000000 ] mass: 14.006700 reduced_to: 9 - symbol: N # 10 coordinates: [ 0.682155900000000, 0.250000000000000, 0.727496110000000 ] mass: 14.006700 reduced_to: 10 - symbol: N # 11 coordinates: [ 0.817844100000000, 0.750000000000000, 0.227496110000000 ] mass: 14.006700 reduced_to: 11 - symbol: N # 12 coordinates: [ 0.852928680000000, 0.250000000000000, 0.934580410000000 ] mass: 14.006700 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.546198500000000, 0.250000000000000, 0.101172580000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.046198500000000, 0.250000000000000, 0.398827420000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.453801500000000, 0.750000000000000, 0.898827420000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.953801500000000, 0.750000000000000, 0.601172580000000 ] mass: 18.998403 reduced_to: 16 - symbol: Sr # 17 coordinates: [ 0.677217090000000, 0.750000000000000, 0.019742320000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.822782910000000, 0.250000000000000, 0.519742320000000 ] mass: 87.620000 reduced_to: 18 - symbol: Sr # 19 coordinates: [ 0.177217090000000, 0.750000000000000, 0.480257680000000 ] mass: 87.620000 reduced_to: 19 - symbol: Sr # 20 coordinates: [ 0.322782910000000, 0.250000000000000, 0.980257680000000 ] mass: 87.620000 reduced_to: 20 - symbol: Sr # 21 coordinates: [ 0.525730520000000, 0.750000000000000, 0.661181700000000 ] mass: 87.620000 reduced_to: 21 - symbol: Sr # 22 coordinates: [ 0.474269480000000, 0.250000000000000, 0.338818300000000 ] mass: 87.620000 reduced_to: 22 - symbol: Sr # 23 coordinates: [ 0.025730520000000, 0.750000000000000, 0.838818300000000 ] mass: 87.620000 reduced_to: 23 - symbol: Sr # 24 coordinates: [ 0.974269480000000, 0.250000000000000, 0.161181700000000 ] mass: 87.620000 reduced_to: 24supercell: lattice: - [ 19.616625020000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.631713580000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.160998960000001 ] # c points: - symbol: B # 1 coordinates: [ 0.364536885000000, 0.250000000000000, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.864536885000000, 0.250000000000000, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 3 coordinates: [ 0.364536885000000, 0.583333333333333, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 4 coordinates: [ 0.864536885000000, 0.583333333333333, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 5 coordinates: [ 0.364536885000000, 0.916666666666667, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 6 coordinates: [ 0.864536885000000, 0.916666666666667, 0.327121110000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 7 coordinates: [ 0.135463115000000, 0.083333333333333, 0.672878890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.635463115000000, 0.083333333333333, 0.672878890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 9 coordinates: [ 0.135463115000000, 0.416666666666667, 0.672878890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 10 coordinates: [ 0.635463115000000, 0.416666666666667, 0.672878890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 11 coordinates: [ 0.135463115000000, 0.750000000000000, 0.672878890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 12 coordinates: [ 0.635463115000000, 0.750000000000000, 0.672878890000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 13 coordinates: [ 0.114536885000000, 0.250000000000000, 0.172878890000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.614536885000000, 0.250000000000000, 0.172878890000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 15 coordinates: [ 0.114536885000000, 0.583333333333333, 0.172878890000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 16 coordinates: [ 0.614536885000000, 0.583333333333333, 0.172878890000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 17 coordinates: [ 0.114536885000000, 0.916666666666667, 0.172878890000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 18 coordinates: [ 0.614536885000000, 0.916666666666667, 0.172878890000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 19 coordinates: [ 0.385463115000000, 0.083333333333333, 0.827121110000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.885463115000000, 0.083333333333333, 0.827121110000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 21 coordinates: [ 0.385463115000000, 0.416666666666667, 0.827121110000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 22 coordinates: [ 0.885463115000000, 0.416666666666667, 0.827121110000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 23 coordinates: [ 0.385463115000000, 0.750000000000000, 0.827121110000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 24 coordinates: [ 0.885463115000000, 0.750000000000000, 0.827121110000000 ] mass: 10.811000 reduced_to: 19 - symbol: N # 25 coordinates: [ 0.323535660000000, 0.250000000000000, 0.434580410000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 26 coordinates: [ 0.823535660000000, 0.250000000000000, 0.434580410000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 27 coordinates: [ 0.323535660000000, 0.583333333333333, 0.434580410000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 28 coordinates: [ 0.823535660000000, 0.583333333333333, 0.434580410000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 29 coordinates: [ 0.323535660000000, 0.916666666666667, 0.434580410000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 30 coordinates: [ 0.823535660000000, 0.916666666666667, 0.434580410000000 ] mass: 14.006700 reduced_to: 25 - symbol: N # 31 coordinates: [ 0.176464340000000, 0.083333333333333, 0.565419590000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 32 coordinates: [ 0.676464340000000, 0.083333333333333, 0.565419590000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 33 coordinates: [ 0.176464340000000, 0.416666666666667, 0.565419590000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 34 coordinates: [ 0.676464340000000, 0.416666666666667, 0.565419590000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 35 coordinates: [ 0.176464340000000, 0.750000000000000, 0.565419590000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 36 coordinates: [ 0.676464340000000, 0.750000000000000, 0.565419590000000 ] mass: 14.006700 reduced_to: 31 - symbol: N # 37 coordinates: [ 0.073535660000000, 0.250000000000000, 0.065419590000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 38 coordinates: [ 0.573535660000000, 0.250000000000000, 0.065419590000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 39 coordinates: [ 0.073535660000000, 0.583333333333333, 0.065419590000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 40 coordinates: [ 0.573535660000000, 0.583333333333333, 0.065419590000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 41 coordinates: [ 0.073535660000000, 0.916666666666667, 0.065419590000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 42 coordinates: [ 0.573535660000000, 0.916666666666667, 0.065419590000000 ] mass: 14.006700 reduced_to: 37 - symbol: N # 43 coordinates: [ 0.091077950000000, 0.083333333333333, 0.772503890000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 44 coordinates: [ 0.591077950000000, 0.083333333333333, 0.772503890000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 45 coordinates: [ 0.091077950000000, 0.416666666666667, 0.772503890000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 46 coordinates: [ 0.591077950000000, 0.416666666666667, 0.772503890000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 47 coordinates: [ 0.091077950000000, 0.750000000000000, 0.772503890000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 48 coordinates: [ 0.591077950000000, 0.750000000000000, 0.772503890000000 ] mass: 14.006700 reduced_to: 43 - symbol: N # 49 coordinates: [ 0.158922050000000, 0.250000000000000, 0.272503890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.658922050000000, 0.250000000000000, 0.272503890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 51 coordinates: [ 0.158922050000000, 0.583333333333333, 0.272503890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 52 coordinates: [ 0.658922050000000, 0.583333333333333, 0.272503890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 53 coordinates: [ 0.158922050000000, 0.916666666666667, 0.272503890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 54 coordinates: [ 0.658922050000000, 0.916666666666667, 0.272503890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 55 coordinates: [ 0.341077950000000, 0.083333333333333, 0.727496110000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 56 coordinates: [ 0.841077950000000, 0.083333333333333, 0.727496110000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 57 coordinates: [ 0.341077950000000, 0.416666666666667, 0.727496110000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 58 coordinates: [ 0.841077950000000, 0.416666666666667, 0.727496110000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 59 coordinates: [ 0.341077950000000, 0.750000000000000, 0.727496110000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 60 coordinates: [ 0.841077950000000, 0.750000000000000, 0.727496110000000 ] mass: 14.006700 reduced_to: 55 - symbol: N # 61 coordinates: [ 0.408922050000000, 0.250000000000000, 0.227496110000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.908922050000000, 0.250000000000000, 0.227496110000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 63 coordinates: [ 0.408922050000000, 0.583333333333333, 0.227496110000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 64 coordinates: [ 0.908922050000000, 0.583333333333333, 0.227496110000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 65 coordinates: [ 0.408922050000000, 0.916666666666667, 0.227496110000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 66 coordinates: [ 0.908922050000000, 0.916666666666667, 0.227496110000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 67 coordinates: [ 0.426464340000000, 0.083333333333333, 0.934580410000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 68 coordinates: [ 0.926464340000000, 0.083333333333333, 0.934580410000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 69 coordinates: [ 0.426464340000000, 0.416666666666667, 0.934580410000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 70 coordinates: [ 0.926464340000000, 0.416666666666667, 0.934580410000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 71 coordinates: [ 0.426464340000000, 0.750000000000000, 0.934580410000000 ] mass: 14.006700 reduced_to: 67 - symbol: N # 72 coordinates: [ 0.926464340000000, 0.750000000000000, 0.934580410000000 ] mass: 14.006700 reduced_to: 67 - symbol: F # 73 coordinates: [ 0.273099250000000, 0.083333333333333, 0.101172580000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.773099250000000, 0.083333333333333, 0.101172580000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.273099250000000, 0.416666666666667, 0.101172580000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.773099250000000, 0.416666666666667, 0.101172580000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.273099250000000, 0.750000000000000, 0.101172580000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 78 coordinates: [ 0.773099250000000, 0.750000000000000, 0.101172580000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 79 coordinates: [ 0.023099250000000, 0.083333333333333, 0.398827420000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.523099250000000, 0.083333333333333, 0.398827420000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.023099250000000, 0.416666666666667, 0.398827420000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 82 coordinates: [ 0.523099250000000, 0.416666666666667, 0.398827420000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 83 coordinates: [ 0.023099250000000, 0.750000000000000, 0.398827420000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 84 coordinates: [ 0.523099250000000, 0.750000000000000, 0.398827420000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 85 coordinates: [ 0.226900750000000, 0.250000000000000, 0.898827420000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.726900750000000, 0.250000000000000, 0.898827420000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.226900750000000, 0.583333333333333, 0.898827420000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 88 coordinates: [ 0.726900750000000, 0.583333333333333, 0.898827420000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 89 coordinates: [ 0.226900750000000, 0.916666666666667, 0.898827420000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 90 coordinates: [ 0.726900750000000, 0.916666666666667, 0.898827420000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 91 coordinates: [ 0.476900750000000, 0.250000000000000, 0.601172580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.976900750000000, 0.250000000000000, 0.601172580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.476900750000000, 0.583333333333333, 0.601172580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 94 coordinates: [ 0.976900750000000, 0.583333333333333, 0.601172580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 95 coordinates: [ 0.476900750000000, 0.916666666666667, 0.601172580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 96 coordinates: [ 0.976900750000000, 0.916666666666667, 0.601172580000000 ] mass: 18.998403 reduced_to: 91 - symbol: Sr # 97 coordinates: [ 0.338608545000000, 0.250000000000000, 0.019742320000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 98 coordinates: [ 0.838608545000000, 0.250000000000000, 0.019742320000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 99 coordinates: [ 0.338608545000000, 0.583333333333333, 0.019742320000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 100 coordinates: [ 0.838608545000000, 0.583333333333333, 0.019742320000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 101 coordinates: [ 0.338608545000000, 0.916666666666667, 0.019742320000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 102 coordinates: [ 0.838608545000000, 0.916666666666667, 0.019742320000000 ] mass: 87.620000 reduced_to: 97 - symbol: Sr # 103 coordinates: [ 0.411391455000000, 0.083333333333333, 0.519742320000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 104 coordinates: [ 0.911391455000000, 0.083333333333333, 0.519742320000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 105 coordinates: [ 0.411391455000000, 0.416666666666667, 0.519742320000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 106 coordinates: [ 0.911391455000000, 0.416666666666667, 0.519742320000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 107 coordinates: [ 0.411391455000000, 0.750000000000000, 0.519742320000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 108 coordinates: [ 0.911391455000000, 0.750000000000000, 0.519742320000000 ] mass: 87.620000 reduced_to: 103 - symbol: Sr # 109 coordinates: [ 0.088608545000000, 0.250000000000000, 0.480257680000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 110 coordinates: [ 0.588608545000000, 0.250000000000000, 0.480257680000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 111 coordinates: [ 0.088608545000000, 0.583333333333333, 0.480257680000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 112 coordinates: [ 0.588608545000000, 0.583333333333333, 0.480257680000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 113 coordinates: [ 0.088608545000000, 0.916666666666667, 0.480257680000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 114 coordinates: [ 0.588608545000000, 0.916666666666667, 0.480257680000000 ] mass: 87.620000 reduced_to: 109 - symbol: Sr # 115 coordinates: [ 0.161391455000000, 0.083333333333333, 0.980257680000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 116 coordinates: [ 0.661391455000000, 0.083333333333333, 0.980257680000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 117 coordinates: [ 0.161391455000000, 0.416666666666667, 0.980257680000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 118 coordinates: [ 0.661391455000000, 0.416666666666667, 0.980257680000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 119 coordinates: [ 0.161391455000000, 0.750000000000000, 0.980257680000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 120 coordinates: [ 0.661391455000000, 0.750000000000000, 0.980257680000000 ] mass: 87.620000 reduced_to: 115 - symbol: Sr # 121 coordinates: [ 0.262865260000000, 0.250000000000000, 0.661181700000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 122 coordinates: [ 0.762865260000000, 0.250000000000000, 0.661181700000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 123 coordinates: [ 0.262865260000000, 0.583333333333333, 0.661181700000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 124 coordinates: [ 0.762865260000000, 0.583333333333333, 0.661181700000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 125 coordinates: [ 0.262865260000000, 0.916666666666667, 0.661181700000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 126 coordinates: [ 0.762865260000000, 0.916666666666667, 0.661181700000000 ] mass: 87.620000 reduced_to: 121 - symbol: Sr # 127 coordinates: [ 0.237134740000000, 0.083333333333333, 0.338818300000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 128 coordinates: [ 0.737134740000000, 0.083333333333333, 0.338818300000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 129 coordinates: [ 0.237134740000000, 0.416666666666667, 0.338818300000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 130 coordinates: [ 0.737134740000000, 0.416666666666667, 0.338818300000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 131 coordinates: [ 0.237134740000000, 0.750000000000000, 0.338818300000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 132 coordinates: [ 0.737134740000000, 0.750000000000000, 0.338818300000000 ] mass: 87.620000 reduced_to: 127 - symbol: Sr # 133 coordinates: [ 0.012865260000000, 0.250000000000000, 0.838818300000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 134 coordinates: [ 0.512865260000000, 0.250000000000000, 0.838818300000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 135 coordinates: [ 0.012865260000000, 0.583333333333333, 0.838818300000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 136 coordinates: [ 0.512865260000000, 0.583333333333333, 0.838818300000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 137 coordinates: [ 0.012865260000000, 0.916666666666667, 0.838818300000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 138 coordinates: [ 0.512865260000000, 0.916666666666667, 0.838818300000000 ] mass: 87.620000 reduced_to: 133 - symbol: Sr # 139 coordinates: [ 0.487134740000000, 0.083333333333333, 0.161181700000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 140 coordinates: [ 0.987134740000000, 0.083333333333333, 0.161181700000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 141 coordinates: [ 0.487134740000000, 0.416666666666667, 0.161181700000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 142 coordinates: [ 0.987134740000000, 0.416666666666667, 0.161181700000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 143 coordinates: [ 0.487134740000000, 0.750000000000000, 0.161181700000000 ] mass: 87.620000 reduced_to: 139 - symbol: Sr # 144 coordinates: [ 0.987134740000000, 0.750000000000000, 0.161181700000000 ] mass: 87.620000 reduced_to: 139born_effective_charge:- # 1 (B) - [ 0.926643230000000, 0.000000000000000, -1.645657010000000 ] - [ 0.000000000000000, -0.347164090000000, 0.000000000000000 ] - [ -1.680891350000000, 0.000000000000000, 1.699203330000000 ]- # 2 (B) - [ 0.926643230000000, 0.000000000000000, -1.645657010000000 ] - [ 0.000000000000000, -0.347164090000000, 0.000000000000000 ] - [ -1.680891350000000, 0.000000000000000, 1.699203330000000 ]- # 3 (B) - [ 0.926643230000000, 0.000000000000000, 1.645657010000000 ] - [ 0.000000000000000, -0.347164090000000, 0.000000000000000 ] - [ 1.680891350000000, 0.000000000000000, 1.699203330000000 ]- # 4 (B) - [ 0.926643230000000, 0.000000000000000, 1.645657010000000 ] - [ 0.000000000000000, -0.347164090000000, 0.000000000000000 ] - [ 1.680891350000000, 0.000000000000000, 1.699203330000000 ]- # 5 (N) - [ -2.252181170000000, 0.000000000000000, 0.718416160000000 ] - [ 0.000000000000000, -1.674330090000000, 0.000000000000000 ] - [ 0.803067650000000, 0.000000000000000, -2.793767840000000 ]- # 6 (N) - [ -2.252181170000000, 0.000000000000000, 0.718416160000000 ] - [ 0.000000000000000, -1.674330090000000, 0.000000000000000 ] - [ 0.803067650000000, 0.000000000000000, -2.793767840000000 ]- # 7 (N) - [ -2.252181170000000, 0.000000000000000, -0.718416160000000 ] - [ 0.000000000000000, -1.674330090000000, 0.000000000000000 ] - [ -0.803067650000000, 0.000000000000000, -2.793767840000000 ]- # 8 (N) - [ -2.096302300000000, 0.000000000000000, 0.817744190000000 ] - [ 0.000000000000000, -1.647076770000000, 0.000000000000000 ] - [ 0.834765160000000, 0.000000000000000, -2.694216970000000 ]- # 9 (N) - [ -2.096302300000000, 0.000000000000000, -0.817744190000000 ] - [ 0.000000000000000, -1.647076770000000, 0.000000000000000 ] - [ -0.834765160000000, 0.000000000000000, -2.694216970000000 ]- # 10 (N) - [ -2.096302300000000, 0.000000000000000, -0.817744190000000 ] - [ 0.000000000000000, -1.647076770000000, 0.000000000000000 ] - [ -0.834765160000000, 0.000000000000000, -2.694216970000000 ]- # 11 (N) - [ -2.096302300000000, 0.000000000000000, 0.817744190000000 ] - [ 0.000000000000000, -1.647076770000000, 0.000000000000000 ] - [ 0.834765160000000, 0.000000000000000, -2.694216970000000 ]- # 12 (N) - [ -2.252181170000000, 0.000000000000000, -0.718416160000000 ] - [ 0.000000000000000, -1.674330090000000, 0.000000000000000 ] - [ -0.803067650000000, 0.000000000000000, -2.793767840000000 ]- # 13 (F) - [ -1.475494560000000, 0.000000000000000, 0.201110100000000 ] - [ 0.000000000000000, -1.325002120000000, 0.000000000000000 ] - [ 0.055880920000000, 0.000000000000000, -1.330309320000000 ]- # 14 (F) - [ -1.475494560000000, 0.000000000000000, -0.201110100000000 ] - [ 0.000000000000000, -1.325002120000000, 0.000000000000000 ] - [ -0.055880920000000, 0.000000000000000, -1.330309320000000 ]- # 15 (F) - [ -1.475494560000000, 0.000000000000000, 0.201110100000000 ] - [ 0.000000000000000, -1.325002120000000, 0.000000000000000 ] - [ 0.055880920000000, 0.000000000000000, -1.330309320000000 ]- # 16 (F) - [ -1.475494560000000, 0.000000000000000, -0.201110100000000 ] - [ 0.000000000000000, -1.325002120000000, 0.000000000000000 ] - [ -0.055880920000000, 0.000000000000000, -1.330309320000000 ]- # 17 (Sr) - [ 2.206152300000000, 0.000000000000000, -0.145891210000000 ] - [ 0.000000000000000, 2.483320030000000, 0.000000000000000 ] - [ 0.070488830000000, 0.000000000000000, 2.582797580000000 ]- # 18 (Sr) - [ 2.206152300000000, 0.000000000000000, 0.145891210000000 ] - [ 0.000000000000000, 2.483320030000000, 0.000000000000000 ] - [ -0.070488830000000, 0.000000000000000, 2.582797580000000 ]- # 19 (Sr) - [ 2.206152300000000, 0.000000000000000, 0.145891210000000 ] - [ 0.000000000000000, 2.483320030000000, 0.000000000000000 ] - [ -0.070488830000000, 0.000000000000000, 2.582797580000000 ]- # 20 (Sr) - [ 2.206152300000000, 0.000000000000000, -0.145891210000000 ] - [ 0.000000000000000, 2.483320030000000, 0.000000000000000 ] - [ 0.070488830000000, 0.000000000000000, 2.582797580000000 ]- # 21 (Sr) - [ 2.691182500000000, 0.000000000000000, 0.046679910000000 ] - [ 0.000000000000000, 2.510253040000000, 0.000000000000000 ] - [ 0.007484800000000, 0.000000000000000, 2.536293230000000 ]- # 22 (Sr) - [ 2.691182500000000, 0.000000000000000, 0.046679910000000 ] - [ 0.000000000000000, 2.510253040000000, 0.000000000000000 ] - [ 0.007484800000000, 0.000000000000000, 2.536293230000000 ]- # 23 (Sr) - [ 2.691182500000000, 0.000000000000000, -0.046679910000000 ] - [ 0.000000000000000, 2.510253040000000, 0.000000000000000 ] - [ -0.007484800000000, 0.000000000000000, 2.536293230000000 ]- # 24 (Sr) - [ 2.691182500000000, 0.000000000000000, -0.046679910000000 ] - [ 0.000000000000000, 2.510253040000000, 0.000000000000000 ] - [ -0.007484800000000, 0.000000000000000, 2.536293230000000 ]dielectric_constant: - [ 3.612512540000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.420646430000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.003910370000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3900797100000000, 0.0000000000000000, 0.3515951300000000 ] - [ 0.0007182100000000, 0.0000000000000000, -0.0003263900000000 ] - [ -0.0020139500000000, 0.0002543200000000, 0.0033674800000000 ] - [ 0.0006970800000000, 0.0000020400000000, -0.0002926700000000 ] - [ -0.0020139500000000, -0.0002543200000000, 0.0033674800000000 ] - [ 0.0006970800000000, -0.0000020400000000, -0.0002926700000000 ] - [ -0.0000329500000000, -0.0000809200000000, -0.0007927200000000 ] - [ -0.0005415500000000, 0.0000286300000000, -0.0000261100000000 ] - [ -0.0000329500000000, 0.0000809200000000, -0.0007927200000000 ] - [ -0.0005415500000000, -0.0000286300000000, -0.0000261100000000 ] - [ -0.0004440800000000, 0.0000000000000000, -0.0001239400000000 ] - [ -0.0004917700000000, 0.0000000000000000, -0.0000799000000000 ] - [ 0.0011143900000000, 0.0000000000000000, 0.0011069000000000 ] - [ 0.0011196000000000, 0.0000000000000000, 0.0006768700000000 ] - [ 0.0008674200000000, 0.0001725300000000, 0.0004886300000000 ] - [ 0.0008675800000000, -0.0001102400000000, 0.0005641900000000 ] - [ 0.0008674200000000, -0.0001725300000000, 0.0004886300000000 ] - [ 0.0008675800000000, 0.0001102400000000, 0.0005641900000000 ] - [ -0.0034033800000000, -0.0000613900000000, -0.0026558800000000 ] - [ -0.0003327800000000, -0.0000044000000000, 0.0003551100000000 ] - [ -0.0034033800000000, 0.0000613900000000, -0.0026558800000000 ] - [ -0.0003327800000000, 0.0000044000000000, 0.0003551100000000 ] - [ -0.0010613400000000, 0.0000000000000000, -0.0006763900000000 ] - [ -0.0003512800000000, 0.0000000000000000, 0.0003237300000000 ] - [ 0.1615286700000000, 0.0000000000000000, -0.1603184800000000 ] - [ -0.0017726700000000, 0.0000000000000000, 0.0001890000000000 ] - [ 0.0003153900000000, 0.0020634300000000, -0.0018771000000000 ] - [ -0.0017246100000000, -0.0000137000000000, 0.0001793300000000 ] - [ 0.0003153900000000, -0.0020634300000000, -0.0018771000000000 ] - [ -0.0017246100000000, 0.0000137000000000, 0.0001793300000000 ] - [ 0.0001940900000000, -0.0005592800000000, 0.0009307900000000 ] - [ 0.0009219500000000, 0.0000870100000000, -0.0002209900000000 ] - [ 0.0001940900000000, 0.0005592800000000, 0.0009307900000000 ] - [ 0.0009219500000000, -0.0000870100000000, -0.0002209900000000 ] - [ 0.0013450300000000, 0.0000000000000000, 0.0001032400000000 ] - [ 0.0009968600000000, 0.0000000000000000, -0.0001336300000000 ] - [ -0.0020007000000000, 0.0000000000000000, -0.0011652600000000 ] - [ -0.0023779000000000, 0.0000000000000000, 0.0003017200000000 ] - [ -0.0016655500000000, -0.0000588400000000, -0.0005169800000000 ] - [ -0.0020066200000000, -0.0007886900000000, 0.0000761200000000 ] - [ -0.0016655500000000, 0.0000588400000000, -0.0005169800000000 ] - [ -0.0020066200000000, 0.0007886900000000, 0.0000761200000000 ] - [ -0.0011120100000000, -0.0000310200000000, 0.0002828600000000 ] - [ -0.0005253200000000, 0.0000498800000000, -0.0002225100000000 ] - [ -0.0011120100000000, 0.0000310200000000, 0.0002828600000000 ] - [ -0.0005253200000000, -0.0000498800000000, -0.0002225100000000 ] - [ -0.0006962700000000, 0.0000000000000000, -0.0004046100000000 ] - [ -0.0005351000000000, 0.0000000000000000, -0.0002185700000000 ] - [ -0.0014186900000000, 0.0000000000000000, -0.0016148100000000 ] - [ -0.0002279100000000, 0.0000000000000000, -0.0009418800000000 ] - [ -0.0000912900000000, 0.0009132100000000, -0.0010189200000000 ] - [ 0.0001446300000000, -0.0000556700000000, -0.0008561700000000 ] - [ -0.0000912900000000, -0.0009132100000000, -0.0010189200000000 ] - [ 0.0001446300000000, 0.0000556700000000, -0.0008561700000000 ] - [ 0.0013260900000000, -0.0013939400000000, 0.0046088400000000 ] - [ -0.0009900600000000, 0.0000020700000000, 0.0003215300000000 ] - [ 0.0013260900000000, 0.0013939400000000, 0.0046088400000000 ] - [ -0.0009900600000000, -0.0000020700000000, 0.0003215300000000 ] - [ -0.0000155600000000, 0.0000000000000000, 0.0010602900000000 ] - [ -0.0009510200000000, 0.0000000000000000, 0.0003394100000000 ] - [ 0.2107849600000000, 0.0000000000000000, -0.2027756100000000 ] - [ 0.0001223300000000, 0.0000000000000000, 0.0006468600000000 ] - [ 0.0022474000000000, -0.0023903000000000, -0.0012715000000000 ] - [ 0.0001760000000000, 0.0000247400000000, 0.0006316800000000 ] - [ 0.0022474000000000, 0.0023903000000000, -0.0012715000000000 ] - [ 0.0001760000000000, -0.0000247400000000, 0.0006316800000000 ] - [ 0.0024059100000000, 0.0015482400000000, 0.0044147500000000 ] - [ 0.0008161500000000, -0.0000368000000000, -0.0000679200000000 ] - [ 0.0024059100000000, -0.0015482400000000, 0.0044147500000000 ] - [ 0.0008161500000000, 0.0000368000000000, -0.0000679200000000 ] - [ 0.0017704200000000, 0.0000000000000000, 0.0007180500000000 ] - [ 0.0008765500000000, 0.0000000000000000, -0.0000543100000000 ] - [ 0.0031986600000000, 0.0012431800000000, -0.0008351500000000 ] - [ 0.0003624400000000, 0.0000269700000000, -0.0003112600000000 ] - [ 0.0031986600000000, -0.0012431800000000, -0.0008351500000000 ] - [ 0.0003624400000000, -0.0000269700000000, -0.0003112600000000 ] - [ 0.0012029100000000, 0.0000000000000000, -0.0004894700000000 ] - [ 0.0003972700000000, 0.0000000000000000, -0.0003318500000000 ] - [ 0.0003510200000000, -0.0000924600000000, 0.0003501800000000 ] - [ -0.0001005800000000, 0.0014232200000000, -0.0015339400000000 ] - [ 0.0003510200000000, 0.0000924600000000, 0.0003501800000000 ] - [ -0.0001005800000000, -0.0014232200000000, -0.0015339400000000 ] - [ 0.0004096500000000, 0.0000000000000000, 0.0003663400000000 ] - [ 0.0008530300000000, 0.0000000000000000, 0.0001029000000000 ] - [ 0.0015856100000000, 0.0000000000000000, 0.0014840200000000 ] - [ -0.0010141300000000, 0.0000000000000000, 0.0004976700000000 ] - [ -0.0004058700000000, -0.0000176000000000, 0.0005372800000000 ] - [ -0.0009882800000000, -0.0000171800000000, 0.0004792900000000 ] - [ -0.0004058700000000, 0.0000176000000000, 0.0005372800000000 ] - [ -0.0009882800000000, 0.0000171800000000, 0.0004792900000000 ] - [ 0.0019679600000000, 0.0000000000000000, -0.0000615500000000 ] - [ -0.0010344500000000, 0.0000000000000000, -0.0004073400000000 ] - [ 0.0004742600000000, 0.0012120900000000, 0.0001900600000000 ] - [ -0.0009545400000000, 0.0000361500000000, -0.0003940800000000 ] - [ 0.0004742600000000, -0.0012120900000000, 0.0001900600000000 ] - [ -0.0009545400000000, -0.0000361500000000, -0.0003940800000000 ] - [ -0.0052434800000000, 0.0000000000000000, -0.0018091700000000 ] - [ -0.0000618500000000, 0.0000000000000000, -0.0005709100000000 ] - [ -0.0014255700000000, 0.0010657000000000, -0.0012425000000000 ] - [ -0.0001233800000000, -0.0000012100000000, -0.0005569800000000 ] - [ -0.0014255700000000, -0.0010657000000000, -0.0012425000000000 ] - [ -0.0001233800000000, 0.0000012100000000, -0.0005569800000000 ] - [ -0.0044130700000000, -0.0020805100000000, 0.0074365600000000 ] - [ 0.0010339700000000, 0.0000289400000000, -0.0004803700000000 ] - [ -0.0044130700000000, 0.0020805100000000, 0.0074365600000000 ] - [ 0.0010339700000000, -0.0000289400000000, -0.0004803700000000 ] - [ 0.0001361600000000, 0.0000000000000000, -0.0001617300000000 ] - [ 0.0009622300000000, 0.0000000000000000, -0.0004929200000000 ] - [ 0.0003140100000000, 0.0000000000000000, 0.0002848200000000 ] - [ 0.0003406900000000, 0.0000000000000000, 0.0020283500000000 ] - [ -0.0001707100000000, -0.0002707400000000, 0.0004476100000000 ] - [ -0.0006937000000000, 0.0004139800000000, 0.0010082500000000 ] - [ -0.0001707100000000, 0.0002707400000000, 0.0004476100000000 ] - [ -0.0006937000000000, -0.0004139800000000, 0.0010082500000000 ] - [ -0.0003979000000000, -0.0001115500000000, 0.0005307400000000 ] - [ 0.0011171100000000, -0.0001496100000000, 0.0002044700000000 ] - [ -0.0003979000000000, 0.0001115500000000, 0.0005307400000000 ] - [ 0.0011171100000000, 0.0001496100000000, 0.0002044700000000 ] - [ 0.0002032200000000, 0.0000000000000000, 0.0006563800000000 ] - [ 0.0009331000000000, 0.0000000000000000, 0.0003040400000000 ] - [ 0.0035775800000000, 0.0000000000000000, -0.0077088400000000 ] - [ -0.0000982000000000, 0.0000000000000000, 0.0006660100000000 ] - [ -0.0008758000000000, -0.0006797900000000, 0.0000627800000000 ] - [ -0.0001424000000000, 0.0000211300000000, 0.0006573500000000 ] - [ -0.0008758000000000, 0.0006797900000000, 0.0000627800000000 ] - [ -0.0001424000000000, -0.0000211300000000, 0.0006573500000000 ] - [ 0.0074294600000000, 0.0078051700000000, 0.0016975500000000 ] - [ 0.0012136200000000, -0.0001131600000000, -0.0005141100000000 ] - [ 0.0074294600000000, -0.0078051700000000, 0.0016975500000000 ] - [ 0.0012136200000000, 0.0001131600000000, -0.0005141100000000 ] - [ 0.0001236300000000, 0.0000000000000000, -0.0004307800000000 ] - [ 0.0010809800000000, 0.0000000000000000, -0.0005334500000000 ] - [ -0.0000163500000000, 0.0000000000000000, -0.0005938600000000 ] - [ -0.0005215600000000, 0.0000000000000000, -0.0021836600000000 ] - [ -0.0001411500000000, -0.0001423800000000, -0.0006458200000000 ] - [ -0.0007642100000000, 0.0002946500000000, -0.0013957200000000 ] - [ -0.0001411500000000, 0.0001423800000000, -0.0006458200000000 ] - [ -0.0007642100000000, -0.0002946500000000, -0.0013957200000000 ] - [ 0.0059489500000000, -0.0059425100000000, -0.0028115000000000 ] - [ 0.0011857800000000, 0.0001250700000000, 0.0006624500000000 ] - [ 0.0059489500000000, 0.0059425100000000, -0.0028115000000000 ] - [ 0.0011857800000000, -0.0001250700000000, 0.0006624500000000 ] - [ 0.0003411100000000, 0.0000000000000000, 0.0005999400000000 ] - [ 0.0010923900000000, 0.0000000000000000, 0.0006677000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3890980000000000, 0.0000000000000000, -0.3489962200000000 ] - [ 0.0003052600000000, 0.0000000000000000, 0.0003995300000000 ] - [ 0.0030342300000000, -0.0002593900000000, -0.0032899600000000 ] - [ 0.0003253800000000, -0.0000021900000000, 0.0003674300000000 ] - [ 0.0030342300000000, 0.0002593900000000, -0.0032899600000000 ] - [ 0.0003253800000000, 0.0000021900000000, 0.0003674300000000 ] - [ -0.0009909900000000, 0.0000849700000000, 0.0007215200000000 ] - [ -0.0004824400000000, -0.0000283700000000, -0.0000460300000000 ] - [ -0.0009909900000000, -0.0000849700000000, 0.0007215200000000 ] - [ -0.0004824400000000, 0.0000283700000000, -0.0000460300000000 ] - [ -0.0005776400000000, 0.0000000000000000, 0.0000477000000000 ] - [ -0.0005312700000000, 0.0000000000000000, 0.0000060600000000 ] - [ -0.0000958100000000, 0.0000000000000000, -0.0011874500000000 ] - [ -0.0000904900000000, 0.0000000000000000, -0.0007393500000000 ] - [ 0.0001557500000000, -0.0001722500000000, -0.0005617300000000 ] - [ 0.0001557300000000, 0.0001092700000000, -0.0006357500000000 ] - [ 0.0001557500000000, 0.0001722500000000, -0.0005617300000000 ] - [ 0.0001557300000000, -0.0001092700000000, -0.0006357500000000 ] - [ 0.0023813400000000, 0.0000548700000000, 0.0027300300000000 ] - [ -0.0006898700000000, 0.0000044800000000, -0.0002804700000000 ] - [ 0.0023813400000000, -0.0000548700000000, 0.0027300300000000 ] - [ -0.0006898700000000, -0.0000044800000000, -0.0002804700000000 ] - [ 0.0000386500000000, 0.0000000000000000, 0.0007506500000000 ] - [ -0.0006714200000000, 0.0000000000000000, -0.0002490100000000 ] - [ -0.1665843500000000, 0.0000000000000000, 0.1678662300000000 ] - [ -0.0007823200000000, 0.0000000000000000, -0.0000511000000000 ] - [ -0.0028709700000000, -0.0020588400000000, 0.0020127100000000 ] - [ -0.0008270400000000, 0.0000132400000000, -0.0000452700000000 ] - [ -0.0028709700000000, 0.0020588400000000, 0.0020127100000000 ] - [ -0.0008270400000000, -0.0000132400000000, -0.0000452700000000 ] - [ 0.0023602500000000, 0.0005662000000000, -0.0010776200000000 ] - [ 0.0016313100000000, -0.0000859700000000, 0.0000817500000000 ] - [ 0.0023602500000000, -0.0005662000000000, -0.0010776200000000 ] - [ 0.0016313100000000, 0.0000859700000000, 0.0000817500000000 ] - [ 0.0012054500000000, 0.0000000000000000, -0.0002404900000000 ] - [ 0.0015548000000000, 0.0000000000000000, -0.0000018600000000 ] - [ -0.0005487400000000, 0.0000000000000000, 0.0010366500000000 ] - [ -0.0001900200000000, 0.0000000000000000, -0.0004213400000000 ] - [ -0.0008901900000000, 0.0000581200000000, 0.0003792200000000 ] - [ -0.0005496600000000, 0.0007827600000000, -0.0002103300000000 ] - [ -0.0008901900000000, -0.0000581200000000, 0.0003792200000000 ] - [ -0.0005496600000000, -0.0007827600000000, -0.0002103300000000 ] - [ -0.0000633800000000, 0.0000298300000000, -0.0012396000000000 ] - [ -0.0006466500000000, -0.0000492700000000, -0.0007286600000000 ] - [ -0.0000633800000000, -0.0000298300000000, -0.0012396000000000 ] - [ -0.0006466500000000, 0.0000492700000000, -0.0007286600000000 ] - [ -0.0004842200000000, 0.0000000000000000, -0.0005438200000000 ] - [ -0.0006361200000000, 0.0000000000000000, -0.0007348000000000 ] - [ 0.0026094600000000, 0.0000000000000000, 0.0006770900000000 ] - [ 0.0013989900000000, 0.0000000000000000, -0.0000155300000000 ] - [ 0.0012672100000000, -0.0009139200000000, 0.0000671100000000 ] - [ 0.0010314100000000, 0.0000548300000000, -0.0000966400000000 ] - [ 0.0012672100000000, 0.0009139200000000, 0.0000671100000000 ] - [ 0.0010314100000000, -0.0000548300000000, -0.0000966400000000 ] - [ -0.0025062100000000, 0.0013858800000000, -0.0036509100000000 ] - [ -0.0001869800000000, -0.0000018000000000, 0.0006293100000000 ] - [ -0.0025062100000000, -0.0013858800000000, -0.0036509100000000 ] - [ -0.0001869800000000, 0.0000018000000000, 0.0006293100000000 ] - [ -0.0011594400000000, 0.0000000000000000, -0.0001064600000000 ] - [ -0.0002260300000000, 0.0000000000000000, 0.0006115000000000 ] - [ -0.2048204500000000, 0.0000000000000000, 0.1937726900000000 ] - [ 0.0010544400000000, 0.0000000000000000, 0.0003034700000000 ] - [ -0.0010594800000000, 0.0023895100000000, 0.0022177200000000 ] - [ 0.0009985300000000, -0.0000252000000000, 0.0003208400000000 ] - [ -0.0010594800000000, -0.0023895100000000, 0.0022177200000000 ] - [ 0.0009985300000000, 0.0000252000000000, 0.0003208400000000 ] - [ 0.0001575900000000, -0.0015572900000000, -0.0042775500000000 ] - [ 0.0017361000000000, 0.0000372200000000, 0.0002044000000000 ] - [ 0.0001575900000000, 0.0015572900000000, -0.0042775500000000 ] - [ 0.0017361000000000, -0.0000372200000000, 0.0002044000000000 ] - [ 0.0007834800000000, 0.0000000000000000, -0.0005842700000000 ] - [ 0.0016752800000000, 0.0000000000000000, 0.0001908200000000 ] - [ -0.0018211100000000, -0.0012495100000000, 0.0000922300000000 ] - [ 0.0010237800000000, -0.0000263600000000, -0.0004286600000000 ] - [ -0.0018211100000000, 0.0012495100000000, 0.0000922300000000 ] - [ 0.0010237800000000, 0.0000263600000000, -0.0004286600000000 ] - [ 0.0001823000000000, 0.0000000000000000, -0.0002502400000000 ] - [ 0.0009896300000000, 0.0000000000000000, -0.0004077800000000 ] - [ 0.0010351600000000, 0.0000933800000000, 0.0003896400000000 ] - [ 0.0014905700000000, -0.0014170700000000, 0.0022692700000000 ] - [ 0.0010351600000000, -0.0000933800000000, 0.0003896400000000 ] - [ 0.0014905700000000, 0.0014170700000000, 0.0022692700000000 ] - [ 0.0009757700000000, 0.0000000000000000, 0.0003735500000000 ] - [ 0.0005367400000000, 0.0000000000000000, 0.0006369700000000 ] - [ -0.0029854500000000, 0.0000000000000000, -0.0007403600000000 ] - [ -0.0003746900000000, 0.0000000000000000, 0.0002439200000000 ] - [ -0.0009844000000000, 0.0000182600000000, 0.0002028800000000 ] - [ -0.0003996100000000, 0.0000164000000000, 0.0002612000000000 ] - [ -0.0009844000000000, -0.0000182600000000, 0.0002028800000000 ] - [ -0.0003996100000000, -0.0000164000000000, 0.0002612000000000 ] - [ -0.0033443800000000, 0.0000000000000000, -0.0006816500000000 ] - [ -0.0003517300000000, 0.0000000000000000, -0.0003326700000000 ] - [ -0.0018572100000000, -0.0012131500000000, -0.0009309800000000 ] - [ -0.0004326600000000, -0.0000365500000000, -0.0003460200000000 ] - [ -0.0018572100000000, 0.0012131500000000, -0.0009309800000000 ] - [ -0.0004326600000000, 0.0000365500000000, -0.0003460200000000 ] - [ 0.0041137400000000, 0.0000000000000000, 0.0007665700000000 ] - [ -0.0010795400000000, 0.0000000000000000, -0.0004550100000000 ] - [ 0.0002843700000000, -0.0010713000000000, 0.0002157100000000 ] - [ -0.0010186400000000, 0.0000018100000000, -0.0004688300000000 ] - [ 0.0002843700000000, 0.0010713000000000, 0.0002157100000000 ] - [ -0.0010186400000000, -0.0000018100000000, -0.0004688300000000 ] - [ 0.0054945300000000, 0.0020575900000000, -0.0084383500000000 ] - [ 0.0001096200000000, -0.0000293200000000, -0.0005452100000000 ] - [ 0.0054945300000000, -0.0020575900000000, -0.0084383500000000 ] - [ 0.0001096200000000, 0.0000293200000000, -0.0005452100000000 ] - [ 0.0010027200000000, 0.0000000000000000, -0.0008640500000000 ] - [ 0.0001822100000000, 0.0000000000000000, -0.0005326100000000 ] - [ -0.0014643600000000, 0.0000000000000000, 0.0007438700000000 ] - [ -0.0014767600000000, 0.0000000000000000, -0.0009921500000000 ] - [ -0.0009700600000000, 0.0002729800000000, 0.0005773200000000 ] - [ -0.0004516000000000, -0.0004104900000000, 0.0000193800000000 ] - [ -0.0009700600000000, -0.0002729800000000, 0.0005773200000000 ] - [ -0.0004516000000000, 0.0004104900000000, 0.0000193800000000 ] - [ 0.0015490500000000, 0.0001121400000000, 0.0004931200000000 ] - [ 0.0000273400000000, 0.0001455500000000, 0.0008182900000000 ] - [ 0.0015490500000000, -0.0001121400000000, 0.0004931200000000 ] - [ 0.0000273400000000, -0.0001455500000000, 0.0008182900000000 ] - [ 0.0009431300000000, 0.0000000000000000, 0.0003693000000000 ] - [ 0.0002092300000000, 0.0000000000000000, 0.0007200100000000 ] - [ -0.0047146300000000, 0.0000000000000000, 0.0090880900000000 ] - [ -0.0010462800000000, 0.0000000000000000, 0.0006374100000000 ] - [ -0.0002615900000000, 0.0006766300000000, 0.0012411800000000 ] - [ -0.0010024500000000, -0.0000206700000000, 0.0006468800000000 ] - [ -0.0002615900000000, -0.0006766300000000, 0.0012411800000000 ] - [ -0.0010024500000000, 0.0000206700000000, 0.0006468800000000 ] - [ -0.0063768900000000, -0.0079475900000000, -0.0030175000000000 ] - [ -0.0000672500000000, 0.0001111700000000, -0.0007885200000000 ] - [ -0.0063768900000000, 0.0079475900000000, -0.0030175000000000 ] - [ -0.0000672500000000, -0.0001111700000000, -0.0007885200000000 ] - [ 0.0010253700000000, 0.0000000000000000, -0.0008723800000000 ] - [ 0.0000638200000000, 0.0000000000000000, -0.0007703000000000 ] - [ -0.0011277000000000, 0.0000000000000000, -0.0007113600000000 ] - [ -0.0006394700000000, 0.0000000000000000, 0.0008833100000000 ] - [ -0.0010020100000000, 0.0001433000000000, -0.0006576800000000 ] - [ -0.0003884100000000, -0.0002964800000000, 0.0000906700000000 ] - [ -0.0010020100000000, -0.0001433000000000, -0.0006576800000000 ] - [ -0.0003884100000000, 0.0002964800000000, 0.0000906700000000 ] - [ -0.0048089100000000, 0.0058978600000000, 0.0040788900000000 ] - [ -0.0000408200000000, -0.0001269600000000, 0.0006414000000000 ] - [ -0.0048089100000000, -0.0058978600000000, 0.0040788900000000 ] - [ -0.0000408200000000, 0.0001269600000000, 0.0006414000000000 ] - [ 0.0007971600000000, 0.0000000000000000, 0.0007046400000000 ] - [ 0.0000542100000000, 0.0000000000000000, 0.0006365800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007209900000000, -0.1068636000000000, -0.0003225300000000 ] - [ 0.0005119700000000, -0.0000077100000000, 0.0000364000000000 ] - [ 0.0002485800000000, -0.0001528000000000, 0.0003478700000000 ] - [ 0.0005098700000000, 0.0000037700000000, 0.0000379700000000 ] - [ 0.0007626400000000, -0.0001384900000000, -0.0002601800000000 ] - [ 0.0005129000000000, 0.0000037000000000, 0.0000367000000000 ] - [ -0.0005936500000000, 0.0000743700000000, 0.0002866300000000 ] - [ -0.0004834800000000, -0.0000166400000000, -0.0000879300000000 ] - [ -0.0004270400000000, 0.0000758400000000, -0.0003641400000000 ] - [ -0.0005401800000000, -0.0000163000000000, 0.0000144800000000 ] - [ -0.0005120300000000, 0.0000263700000000, -0.0000360900000000 ] - [ -0.0005107800000000, 0.0000389800000000, -0.0000382700000000 ] - [ 0.0005128800000000, -0.0000533000000000, -0.0000344200000000 ] - [ 0.0005106000000000, -0.0000533400000000, -0.0000392400000000 ] - [ 0.0006213200000000, 0.0000820400000000, 0.0001514000000000 ] - [ 0.0003404700000000, 0.0000816700000000, -0.0003897900000000 ] - [ 0.0004014400000000, 0.0000816600000000, -0.0002260500000000 ] - [ 0.0006862000000000, 0.0000820800000000, 0.0003218300000000 ] - [ -0.0005708000000000, 0.0000792000000000, -0.0001260200000000 ] - [ -0.0005158900000000, -0.0000037900000000, 0.0000311900000000 ] - [ -0.0004542700000000, 0.0000805500000000, 0.0001977300000000 ] - [ -0.0005073000000000, -0.0000036500000000, 0.0000429400000000 ] - [ -0.0005115000000000, 0.0000316000000000, 0.0000373000000000 ] - [ -0.0005115900000000, 0.0000073000000000, 0.0000371400000000 ] - [ -0.0006119700000000, 0.0421927700000000, -0.0008557900000000 ] - [ -0.0012768600000000, -0.0000302100000000, 0.0000689400000000 ] - [ -0.0011898300000000, 0.0005479200000000, -0.0000934600000000 ] - [ -0.0012667900000000, 0.0000150500000000, 0.0000727200000000 ] - [ -0.0013588400000000, 0.0005440800000000, 0.0002263300000000 ] - [ -0.0012841000000000, 0.0000147700000000, 0.0000608700000000 ] - [ 0.0018489100000000, 0.0000598200000000, -0.0003799500000000 ] - [ 0.0012188400000000, -0.0000324000000000, -0.0000477300000000 ] - [ 0.0006982900000000, 0.0000666500000000, 0.0002473000000000 ] - [ 0.0013333800000000, -0.0000316500000000, -0.0000891300000000 ] - [ 0.0012783300000000, 0.0001616000000000, -0.0000699000000000 ] - [ 0.0012740400000000, 0.0000608500000000, -0.0000663200000000 ] - [ -0.0012779900000000, -0.0000321400000000, -0.0000706100000000 ] - [ -0.0012710100000000, -0.0004161400000000, -0.0000663800000000 ] - [ -0.0013908800000000, -0.0000103000000000, -0.0002252700000000 ] - [ -0.0007721900000000, 0.0004972300000000, -0.0001965300000000 ] - [ -0.0011619300000000, -0.0000110500000000, 0.0000883700000000 ] - [ -0.0017864500000000, 0.0004983500000000, 0.0000601800000000 ] - [ -0.0004030700000000, -0.0000658300000000, -0.0007628800000000 ] - [ -0.0006743400000000, -0.0000758200000000, -0.0004602600000000 ] - [ -0.0007740600000000, -0.0000652000000000, -0.0001875700000000 ] - [ -0.0005013900000000, -0.0000742400000000, -0.0004901200000000 ] - [ -0.0005884300000000, 0.0000572000000000, -0.0004748200000000 ] - [ -0.0005876400000000, 0.0001623400000000, -0.0004759000000000 ] - [ 0.0005845400000000, -0.0002969000000000, -0.0004767000000000 ] - [ 0.0005881500000000, -0.0000663500000000, -0.0004755600000000 ] - [ 0.0003144300000000, 0.0004226400000000, -0.0006249200000000 ] - [ 0.0007606800000000, 0.0000102700000000, -0.0002914700000000 ] - [ 0.0008655900000000, 0.0004188700000000, -0.0003249400000000 ] - [ 0.0004135800000000, 0.0000092300000000, -0.0006619700000000 ] - [ -0.0004503600000000, 0.0000454600000000, 0.0001821600000000 ] - [ -0.0005856500000000, -0.0000088200000000, 0.0004792800000000 ] - [ -0.0007232200000000, 0.0000533300000000, 0.0007666900000000 ] - [ -0.0005922600000000, -0.0000086400000000, 0.0004705100000000 ] - [ -0.0005859700000000, 0.0002243700000000, 0.0004764400000000 ] - [ -0.0005886000000000, 0.0000176200000000, 0.0004753700000000 ] - [ -0.0003113100000000, 0.0353965000000000, 0.0015475900000000 ] - [ 0.0005881700000000, -0.0000226400000000, 0.0004751100000000 ] - [ 0.0006494900000000, 0.0002790200000000, 0.0003695200000000 ] - [ 0.0005845300000000, 0.0000114400000000, 0.0004732100000000 ] - [ 0.0005339700000000, 0.0002855300000000, 0.0005752100000000 ] - [ 0.0005901400000000, 0.0000110800000000, 0.0004791500000000 ] - [ 0.0011514700000000, 0.0001347600000000, 0.0005622800000000 ] - [ 0.0012920600000000, -0.0000175200000000, 0.0000691900000000 ] - [ 0.0014020600000000, 0.0001412200000000, -0.0004189400000000 ] - [ 0.0012599200000000, -0.0000169300000000, 0.0000678500000000 ] - [ 0.0012741500000000, 0.0001729200000000, 0.0000680900000000 ] - [ 0.0012758600000000, 0.0000337600000000, 0.0000682300000000 ] - [ 0.0008005700000000, -0.0001430600000000, -0.0003293900000000 ] - [ 0.0006710800000000, -0.0000171500000000, -0.0003643800000000 ] - [ 0.0005893900000000, -0.0001376600000000, -0.0004107600000000 ] - [ 0.0007157900000000, -0.0000166900000000, -0.0003755400000000 ] - [ 0.0006952300000000, 0.0001190900000000, -0.0003691100000000 ] - [ 0.0006931900000000, 0.0000355600000000, -0.0003697300000000 ] - [ 0.0007197800000000, -0.0000337000000000, 0.0003805300000000 ] - [ 0.0004100300000000, 0.0000364400000000, 0.0001336700000000 ] - [ 0.0006658300000000, -0.0000327000000000, 0.0003594500000000 ] - [ 0.0009775400000000, 0.0000419000000000, 0.0006054600000000 ] - [ 0.0006930900000000, 0.0000774200000000, 0.0003698300000000 ] - [ 0.0006916500000000, 0.0001371500000000, 0.0003687300000000 ] - [ -0.0006959000000000, 0.0000746900000000, 0.0003750500000000 ] - [ -0.0006937000000000, -0.0000495100000000, 0.0003700600000000 ] - [ -0.0007445600000000, 0.0000516500000000, 0.0004226500000000 ] - [ -0.0006755300000000, 0.0000324400000000, 0.0003587800000000 ] - [ -0.0006407800000000, 0.0000503100000000, 0.0003173400000000 ] - [ -0.0007124400000000, 0.0000316800000000, 0.0003812400000000 ] - [ -0.0006911700000000, -0.0003468100000000, -0.0003673700000000 ] - [ -0.0006936800000000, -0.0000342400000000, -0.0003699600000000 ] - [ -0.0004400700000000, 0.0005217200000000, -0.0002889200000000 ] - [ -0.0007225300000000, 0.0000182000000000, -0.0003739500000000 ] - [ -0.0009449400000000, 0.0005157900000000, -0.0004520900000000 ] - [ -0.0006642700000000, 0.0000178400000000, -0.0003658300000000 ] - [ -0.0005834400000000, 0.0002218500000000, -0.0005198700000000 ] - [ -0.0005713900000000, 0.0000349700000000, -0.0005129800000000 ] - [ -0.0003868500000000, -0.0002858700000000, -0.0005705000000000 ] - [ -0.0005852300000000, -0.0000175600000000, -0.0005070100000000 ] - [ -0.0007615800000000, -0.0002830100000000, -0.0004643100000000 ] - [ -0.0005573800000000, -0.0000173900000000, -0.0005190600000000 ] - [ -0.0033773100000000, 0.0080585900000000, -0.0111932100000000 ] - [ 0.0005520900000000, 0.0000197600000000, -0.0005172200000000 ] - [ 0.0046399500000000, 0.0081583100000000, 0.0103887700000000 ] - [ 0.0005924400000000, 0.0000192300000000, -0.0005088900000000 ] - [ 0.0005737900000000, -0.0005001500000000, -0.0005089900000000 ] - [ 0.0005722000000000, -0.0000389200000000, -0.0005130800000000 ] - [ -0.0005688700000000, 0.0002654400000000, 0.0005122800000000 ] - [ -0.0005746200000000, 0.0003201500000000, 0.0005129000000000 ] - [ -0.0004360200000000, -0.0001371300000000, 0.0004854600000000 ] - [ -0.0007385900000000, -0.0001611500000000, 0.0004704500000000 ] - [ -0.0007071200000000, -0.0001349900000000, 0.0005409200000000 ] - [ -0.0004039500000000, -0.0001586300000000, 0.0005574200000000 ] - [ 0.0006134100000000, 0.0000886600000000, 0.0005580500000000 ] - [ 0.0006808000000000, 0.0001136000000000, 0.0004780900000000 ] - [ 0.0005291800000000, 0.0000839200000000, 0.0004670800000000 ] - [ 0.0004629000000000, 0.0001111800000000, 0.0005477300000000 ] - [ 0.0005706500000000, -0.0001548600000000, 0.0005129100000000 ] - [ 0.0005729500000000, -0.0001984300000000, 0.0005124600000000 ] - [ -0.0005840300000000, 0.0014541700000000, 0.0006675100000000 ] - [ -0.0005718700000000, 0.0000581000000000, 0.0006523000000000 ] - [ -0.0004038300000000, -0.0005066200000000, 0.0004723500000000 ] - [ -0.0005909100000000, -0.0000293300000000, 0.0006491000000000 ] - [ -0.0007440300000000, -0.0005022000000000, 0.0008357200000000 ] - [ -0.0005524200000000, -0.0000286800000000, 0.0006559800000000 ] - [ 0.0052706500000000, 0.0030076700000000, -0.0018116900000000 ] - [ 0.0006304500000000, 0.0000639900000000, -0.0006484900000000 ] - [ -0.0042363000000000, 0.0030354700000000, 0.0005054200000000 ] - [ 0.0005142700000000, 0.0000625900000000, -0.0006560400000000 ] - [ 0.0005674400000000, -0.0003643800000000, -0.0006524200000000 ] - [ 0.0005728200000000, -0.0001265600000000, -0.0006524100000000 ] - [ -0.0005711600000000, 0.0001288900000000, -0.0006521800000000 ] - [ -0.0005740300000000, 0.0004623000000000, -0.0006510100000000 ] - [ -0.0005151300000000, -0.0000660200000000, -0.0006422900000000 ] - [ -0.0007096800000000, -0.0002338000000000, -0.0006077200000000 ] - [ -0.0006285300000000, -0.0000645700000000, -0.0006628500000000 ] - [ -0.0004344200000000, -0.0002308300000000, -0.0006998000000000 ] - [ -0.0006624400000000, 0.0016027400000000, 0.0014411700000000 ] - [ 0.0005411800000000, 0.0000419400000000, 0.0006549800000000 ] - [ 0.0018513100000000, 0.0016146500000000, -0.0001641500000000 ] - [ 0.0006041400000000, 0.0000403500000000, 0.0006500100000000 ] - [ 0.0005761100000000, -0.0003914200000000, 0.0006502100000000 ] - [ 0.0005720200000000, -0.0000897500000000, 0.0006527800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.3503335200000000, 0.0000000000000000, -0.5586602200000000 ] - [ 0.0001477000000000, 0.0000000000000000, 0.0006781400000000 ] - [ 0.0038417100000000, -0.0003065200000000, -0.0043800600000000 ] - [ 0.0001805600000000, -0.0000015100000000, 0.0006242600000000 ] - [ 0.0038417100000000, 0.0003065200000000, -0.0043800600000000 ] - [ 0.0001805600000000, 0.0000015100000000, 0.0006242600000000 ] - [ -0.0012669200000000, 0.0003240700000000, 0.0012236400000000 ] - [ -0.0005004500000000, -0.0000514000000000, 0.0000030200000000 ] - [ -0.0012669200000000, -0.0003240700000000, 0.0012236400000000 ] - [ -0.0005004500000000, 0.0000514000000000, 0.0000030200000000 ] - [ -0.0005968600000000, 0.0000000000000000, 0.0000551900000000 ] - [ -0.0005530700000000, 0.0000000000000000, 0.0000636600000000 ] - [ -0.0001974900000000, 0.0000000000000000, -0.0014615200000000 ] - [ -0.0006409900000000, 0.0000000000000000, -0.0014641800000000 ] - [ -0.0000895500000000, -0.0003554200000000, -0.0010289900000000 ] - [ -0.0000147600000000, 0.0001886500000000, -0.0010296900000000 ] - [ -0.0000895500000000, 0.0003554200000000, -0.0010289900000000 ] - [ -0.0000147600000000, -0.0001886500000000, -0.0010296900000000 ] - [ 0.0021826700000000, 0.0001671200000000, 0.0027525200000000 ] - [ -0.0008288700000000, 0.0000060600000000, -0.0005294900000000 ] - [ 0.0021826700000000, -0.0001671200000000, 0.0027525200000000 ] - [ -0.0008288700000000, -0.0000060600000000, -0.0005294900000000 ] - [ 0.0002032600000000, 0.0000000000000000, 0.0010083900000000 ] - [ -0.0007975700000000, 0.0000000000000000, -0.0004751600000000 ] - [ -0.1698555500000000, 0.0000000000000000, 0.2661739800000000 ] - [ -0.0004010600000000, 0.0000000000000000, -0.0001491700000000 ] - [ -0.0038471200000000, -0.0027171500000000, 0.0025009200000000 ] - [ -0.0004827800000000, 0.0000290300000000, -0.0001424000000000 ] - [ -0.0038471200000000, 0.0027171500000000, 0.0025009200000000 ] - [ -0.0004827800000000, -0.0000290300000000, -0.0001424000000000 ] - [ 0.0029691400000000, 0.0011909900000000, -0.0019555000000000 ] - [ 0.0019152800000000, -0.0001593500000000, 0.0001886800000000 ] - [ 0.0029691400000000, -0.0011909900000000, -0.0019555000000000 ] - [ 0.0019152800000000, 0.0001593500000000, 0.0001886800000000 ] - [ 0.0010596400000000, 0.0000000000000000, -0.0003393900000000 ] - [ 0.0017695200000000, 0.0000000000000000, 0.0000588100000000 ] - [ -0.0000775000000000, 0.0000000000000000, 0.0015163700000000 ] - [ 0.0009788100000000, 0.0000000000000000, -0.0011760600000000 ] - [ -0.0005385500000000, 0.0001033300000000, 0.0007575600000000 ] - [ -0.0000578800000000, 0.0012436600000000, -0.0002765900000000 ] - [ -0.0005385500000000, -0.0001033300000000, 0.0007575600000000 ] - [ -0.0000578800000000, -0.0012436600000000, -0.0002765900000000 ] - [ 0.0003671400000000, -0.0000083900000000, -0.0017234200000000 ] - [ -0.0006857100000000, -0.0000916800000000, -0.0008116400000000 ] - [ 0.0003671400000000, 0.0000083900000000, -0.0017234200000000 ] - [ -0.0006857100000000, 0.0000916800000000, -0.0008116400000000 ] - [ -0.0004189500000000, 0.0000000000000000, -0.0005409200000000 ] - [ -0.0006553800000000, 0.0000000000000000, -0.0007969800000000 ] - [ 0.0035099300000000, 0.0000000000000000, 0.0017029100000000 ] - [ 0.0019886200000000, 0.0000000000000000, 0.0002939300000000 ] - [ 0.0018929200000000, -0.0017234600000000, 0.0004912400000000 ] - [ 0.0013292700000000, 0.0000985700000000, 0.0001188800000000 ] - [ 0.0018929200000000, 0.0017234600000000, 0.0004912400000000 ] - [ 0.0013292700000000, -0.0000985700000000, 0.0001188800000000 ] - [ -0.0028965000000000, 0.0011192800000000, -0.0036040900000000 ] - [ 0.0001307100000000, -0.0000079200000000, 0.0007483900000000 ] - [ -0.0028965000000000, -0.0011192800000000, -0.0036040900000000 ] - [ 0.0001307100000000, 0.0000079200000000, 0.0007483900000000 ] - [ -0.0015444000000000, 0.0000000000000000, -0.0002727400000000 ] - [ 0.0000638000000000, 0.0000000000000000, 0.0007212500000000 ] - [ -0.1925776500000000, 0.0000000000000000, 0.2649863500000000 ] - [ 0.0014105900000000, 0.0000000000000000, 0.0001748800000000 ] - [ -0.0019642100000000, 0.0030363700000000, 0.0028051400000000 ] - [ 0.0013247500000000, -0.0000329500000000, 0.0001993400000000 ] - [ -0.0019642100000000, -0.0030363700000000, 0.0028051400000000 ] - [ 0.0013247500000000, 0.0000329500000000, 0.0001993400000000 ] - [ -0.0002625900000000, -0.0010960100000000, -0.0042803800000000 ] - [ 0.0020923800000000, 0.0000572600000000, 0.0003124800000000 ] - [ -0.0002625900000000, 0.0010960100000000, -0.0042803800000000 ] - [ 0.0020923800000000, -0.0000572600000000, 0.0003124800000000 ] - [ 0.0004855300000000, 0.0000000000000000, -0.0008083000000000 ] - [ 0.0019912200000000, 0.0000000000000000, 0.0002980200000000 ] - [ -0.0022249600000000, -0.0013332100000000, 0.0000842900000000 ] - [ 0.0012841800000000, -0.0000558000000000, -0.0004665400000000 ] - [ -0.0022249600000000, 0.0013332100000000, 0.0000842900000000 ] - [ 0.0012841800000000, 0.0000558000000000, -0.0004665400000000 ] - [ -0.0001057400000000, 0.0000000000000000, -0.0002014600000000 ] - [ 0.0012077300000000, 0.0000000000000000, -0.0004323000000000 ] - [ 0.0012909400000000, 0.0001477800000000, 0.0004090500000000 ] - [ 0.0019553600000000, -0.0024648800000000, 0.0030596300000000 ] - [ 0.0012909400000000, -0.0001477800000000, 0.0004090500000000 ] - [ 0.0019553600000000, 0.0024648800000000, 0.0030596300000000 ] - [ 0.0012076500000000, 0.0000000000000000, 0.0003518200000000 ] - [ 0.0004296400000000, 0.0000000000000000, 0.0006563200000000 ] - [ -0.0023760300000000, 0.0000000000000000, -0.0004957100000000 ] - [ -0.0000891000000000, 0.0000000000000000, 0.0001308700000000 ] - [ -0.0012276500000000, 0.0000071300000000, 0.0001829500000000 ] - [ -0.0001647900000000, 0.0000527600000000, 0.0001811600000000 ] - [ -0.0012276500000000, -0.0000071300000000, 0.0001829500000000 ] - [ -0.0001647900000000, -0.0000527600000000, 0.0001811600000000 ] - [ -0.0034158700000000, 0.0000000000000000, -0.0004254500000000 ] - [ -0.0000897500000000, 0.0000000000000000, -0.0003082000000000 ] - [ -0.0018330700000000, -0.0008994500000000, -0.0008132900000000 ] - [ -0.0002273200000000, -0.0000597700000000, -0.0003292200000000 ] - [ -0.0018330700000000, 0.0008994500000000, -0.0008132900000000 ] - [ -0.0002273200000000, 0.0000597700000000, -0.0003292200000000 ] - [ 0.0058551500000000, 0.0000000000000000, 0.0138766500000000 ] - [ -0.0014824700000000, 0.0000000000000000, -0.0004161900000000 ] - [ 0.0006369800000000, -0.0011762900000000, 0.0003566700000000 ] - [ -0.0013650100000000, -0.0000079000000000, -0.0004428900000000 ] - [ 0.0006369800000000, 0.0011762900000000, 0.0003566700000000 ] - [ -0.0013650100000000, 0.0000079000000000, -0.0004428900000000 ] - [ 0.0116099800000000, -0.0121765800000000, 0.0044292700000000 ] - [ -0.0002457400000000, -0.0000432400000000, -0.0005670800000000 ] - [ 0.0116099800000000, 0.0121765800000000, 0.0044292700000000 ] - [ -0.0002457400000000, 0.0000432400000000, -0.0005670800000000 ] - [ 0.0014501500000000, 0.0000000000000000, -0.0008824300000000 ] - [ -0.0001246300000000, 0.0000000000000000, -0.0005410800000000 ] - [ -0.0024790700000000, 0.0000000000000000, 0.0009119400000000 ] - [ -0.0023352900000000, 0.0000000000000000, -0.0019417800000000 ] - [ -0.0013077300000000, 0.0004959900000000, 0.0006826900000000 ] - [ -0.0006062300000000, -0.0006817800000000, -0.0001347200000000 ] - [ -0.0013077300000000, -0.0004959900000000, 0.0006826900000000 ] - [ -0.0006062300000000, 0.0006817800000000, -0.0001347200000000 ] - [ 0.0018777700000000, -0.0000662000000000, 0.0004694400000000 ] - [ -0.0003715700000000, 0.0003442000000000, 0.0010452800000000 ] - [ 0.0018777700000000, 0.0000662000000000, 0.0004694400000000 ] - [ -0.0003715700000000, -0.0003442000000000, 0.0010452800000000 ] - [ 0.0011931500000000, 0.0000000000000000, 0.0002138200000000 ] - [ -0.0000164300000000, 0.0000000000000000, 0.0008416800000000 ] - [ -0.0046186100000000, 0.0000000000000000, 0.0124384000000000 ] - [ -0.0014316800000000, 0.0000000000000000, 0.0006378700000000 ] - [ 0.0002578500000000, 0.0009280300000000, 0.0014547300000000 ] - [ -0.0013474000000000, -0.0000453400000000, 0.0006474200000000 ] - [ 0.0002578500000000, -0.0009280300000000, 0.0014547300000000 ] - [ -0.0013474000000000, 0.0000453400000000, 0.0006474200000000 ] - [ -0.0004925900000000, -0.0049239400000000, -0.0056561100000000 ] - [ -0.0005532100000000, 0.0002185000000000, -0.0008798600000000 ] - [ -0.0004925900000000, 0.0049239400000000, -0.0056561100000000 ] - [ -0.0005532100000000, -0.0002185000000000, -0.0008798600000000 ] - [ 0.0015196000000000, 0.0000000000000000, -0.0008526600000000 ] - [ -0.0003146900000000, 0.0000000000000000, -0.0008381300000000 ] - [ -0.0015607600000000, 0.0000000000000000, -0.0007354300000000 ] - [ -0.0001170300000000, 0.0000000000000000, 0.0009959400000000 ] - [ -0.0013496000000000, 0.0002482100000000, -0.0006870000000000 ] - [ -0.0001272000000000, -0.0003353100000000, 0.0001634000000000 ] - [ -0.0013496000000000, -0.0002482100000000, -0.0006870000000000 ] - [ -0.0001272000000000, 0.0003353100000000, 0.0001634000000000 ] - [ -0.0040667200000000, 0.0068496000000000, 0.0052350500000000 ] - [ -0.0005070600000000, -0.0001730000000000, 0.0006396500000000 ] - [ -0.0040667200000000, -0.0068496000000000, 0.0052350500000000 ] - [ -0.0005070600000000, 0.0001730000000000, 0.0006396500000000 ] - [ 0.0010890000000000, 0.0000000000000000, 0.0007538100000000 ] - [ -0.0003923300000000, 0.0000000000000000, 0.0006188300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.3504725900000000, 0.0000000000000000, 0.5570577100000000 ] - [ 0.0008736400000000, 0.0000000000000000, -0.0006019900000000 ] - [ -0.0028156500000000, 0.0003009400000000, 0.0044479400000000 ] - [ 0.0008402600000000, 0.0000015300000000, -0.0005471200000000 ] - [ -0.0028156500000000, -0.0003009400000000, 0.0044479400000000 ] - [ 0.0008402600000000, -0.0000015300000000, -0.0005471200000000 ] - [ 0.0002477100000000, -0.0003256200000000, -0.0013013200000000 ] - [ -0.0005201900000000, 0.0000514000000000, -0.0000805700000000 ] - [ 0.0002477100000000, 0.0003256200000000, -0.0013013200000000 ] - [ -0.0005201900000000, -0.0000514000000000, -0.0000805700000000 ] - [ -0.0004252200000000, 0.0000000000000000, -0.0001296700000000 ] - [ -0.0004670700000000, 0.0000000000000000, -0.0001416300000000 ] - [ 0.0012185000000000, 0.0000000000000000, 0.0013819100000000 ] - [ 0.0016531500000000, 0.0000000000000000, 0.0013796900000000 ] - [ 0.0011097500000000, 0.0003546200000000, 0.0009514800000000 ] - [ 0.0010355000000000, -0.0001882900000000, 0.0009511400000000 ] - [ 0.0011097500000000, -0.0003546200000000, 0.0009514800000000 ] - [ 0.0010355000000000, 0.0001882900000000, 0.0009511400000000 ] - [ -0.0032031500000000, -0.0001560700000000, -0.0026729600000000 ] - [ -0.0001932300000000, -0.0000061300000000, 0.0006043300000000 ] - [ -0.0032031500000000, 0.0001560700000000, -0.0026729600000000 ] - [ -0.0001932300000000, 0.0000061300000000, 0.0006043300000000 ] - [ -0.0012237300000000, 0.0000000000000000, -0.0009308400000000 ] - [ -0.0002247400000000, 0.0000000000000000, 0.0005498700000000 ] - [ 0.1560877500000000, 0.0000000000000000, -0.2546576300000000 ] - [ -0.0021509700000000, 0.0000000000000000, 0.0002848200000000 ] - [ 0.0012901400000000, 0.0027145200000000, -0.0023561100000000 ] - [ -0.0020675200000000, -0.0000289200000000, 0.0002755100000000 ] - [ 0.0012901400000000, -0.0027145200000000, -0.0023561100000000 ] - [ -0.0020675200000000, 0.0000289200000000, 0.0002755100000000 ] - [ -0.0004189900000000, -0.0011958400000000, 0.0018283000000000 ] - [ 0.0006370900000000, 0.0001587800000000, -0.0003211700000000 ] - [ -0.0004189900000000, 0.0011958400000000, 0.0018283000000000 ] - [ 0.0006370900000000, -0.0001587800000000, -0.0003211700000000 ] - [ 0.0014950300000000, 0.0000000000000000, 0.0002040500000000 ] - [ 0.0007811800000000, 0.0000000000000000, -0.0001899200000000 ] - [ -0.0024735200000000, 0.0000000000000000, -0.0016516300000000 ] - [ -0.0035150400000000, 0.0000000000000000, 0.0010280100000000 ] - [ -0.0020119600000000, -0.0001034300000000, -0.0008916900000000 ] - [ -0.0024909700000000, -0.0012409900000000, 0.0001385400000000 ] - [ -0.0020119600000000, 0.0001034300000000, -0.0008916900000000 ] - [ -0.0024909700000000, 0.0012409900000000, 0.0001385400000000 ] - [ -0.0015432300000000, 0.0000094700000000, 0.0007746200000000 ] - [ -0.0004950900000000, 0.0000923500000000, -0.0001403100000000 ] - [ -0.0015432300000000, -0.0000094700000000, 0.0007746200000000 ] - [ -0.0004950900000000, -0.0000923500000000, -0.0001403100000000 ] - [ -0.0007570600000000, 0.0000000000000000, -0.0004100700000000 ] - [ -0.0005221600000000, 0.0000000000000000, -0.0001560200000000 ] - [ -0.0023320200000000, 0.0000000000000000, -0.0026563700000000 ] - [ -0.0008090300000000, 0.0000000000000000, -0.0012427900000000 ] - [ -0.0007118100000000, 0.0017179200000000, -0.0014391600000000 ] - [ -0.0001522400000000, -0.0000983300000000, -0.0010690100000000 ] - [ -0.0007118100000000, -0.0017179200000000, -0.0014391600000000 ] - [ -0.0001522400000000, 0.0000983300000000, -0.0010690100000000 ] - [ 0.0017196400000000, -0.0011026900000000, 0.0045383500000000 ] - [ -0.0013061200000000, 0.0000078100000000, 0.0002038200000000 ] - [ 0.0017196400000000, 0.0011026900000000, 0.0045383500000000 ] - [ -0.0013061200000000, -0.0000078100000000, 0.0002038200000000 ] - [ 0.0003676500000000, 0.0000000000000000, 0.0012273000000000 ] - [ -0.0012389700000000, 0.0000000000000000, 0.0002313100000000 ] - [ 0.2058892200000000, 0.0000000000000000, -0.2737090600000000 ] - [ -0.0002326600000000, 0.0000000000000000, 0.0007763100000000 ] - [ 0.0031361900000000, -0.0030273400000000, -0.0018544000000000 ] - [ -0.0001482300000000, 0.0000330400000000, 0.0007532100000000 ] - [ 0.0031361900000000, 0.0030273400000000, -0.0018544000000000 ] - [ -0.0001482300000000, -0.0000330400000000, 0.0007532100000000 ] - [ 0.0028054300000000, 0.0011089500000000, 0.0044232600000000 ] - [ 0.0004614000000000, -0.0000575500000000, -0.0001771200000000 ] - [ 0.0028054300000000, -0.0011089500000000, 0.0044232600000000 ] - [ 0.0004614000000000, 0.0000575500000000, -0.0001771200000000 ] - [ 0.0020637300000000, 0.0000000000000000, 0.0009391100000000 ] - [ 0.0005626400000000, 0.0000000000000000, -0.0001625900000000 ] - [ 0.0036109700000000, 0.0013373700000000, -0.0008364300000000 ] - [ 0.0001036900000000, 0.0000556000000000, -0.0002739800000000 ] - [ 0.0036109700000000, -0.0013373700000000, -0.0008364300000000 ] - [ 0.0001036900000000, -0.0000556000000000, -0.0002739800000000 ] - [ 0.0014922700000000, 0.0000000000000000, -0.0005408000000000 ] - [ 0.0001798900000000, 0.0000000000000000, -0.0003074600000000 ] - [ 0.0000956400000000, -0.0001481400000000, 0.0003313000000000 ] - [ -0.0005754500000000, 0.0024607400000000, -0.0023163700000000 ] - [ 0.0000956400000000, 0.0001481400000000, 0.0003313000000000 ] - [ -0.0005754500000000, -0.0024607400000000, -0.0023163700000000 ] - [ 0.0001788900000000, 0.0000000000000000, 0.0003885400000000 ] - [ 0.0009562500000000, 0.0000000000000000, 0.0000847300000000 ] - [ 0.0010054000000000, 0.0000000000000000, 0.0012395100000000 ] - [ -0.0012959300000000, 0.0000000000000000, 0.0006082800000000 ] - [ -0.0001575100000000, -0.0000085500000000, 0.0005570900000000 ] - [ -0.0012208200000000, -0.0000523800000000, 0.0005580200000000 ] - [ -0.0001575100000000, 0.0000085500000000, 0.0005570900000000 ] - [ -0.0012208200000000, 0.0000523800000000, 0.0005580200000000 ] - [ 0.0020181400000000, 0.0000000000000000, -0.0003051400000000 ] - [ -0.0012956200000000, 0.0000000000000000, -0.0004319400000000 ] - [ 0.0004476700000000, 0.0009001600000000, 0.0000743300000000 ] - [ -0.0011579100000000, 0.0000598600000000, -0.0004109300000000 ] - [ 0.0004476700000000, -0.0009001600000000, 0.0000743300000000 ] - [ -0.0011579100000000, -0.0000598600000000, -0.0004109300000000 ] - [ -0.0070678400000000, 0.0000000000000000, -0.0150936700000000 ] - [ 0.0003378400000000, 0.0000000000000000, -0.0006099900000000 ] - [ -0.0017794700000000, 0.0011824200000000, -0.0013737500000000 ] - [ 0.0002205000000000, 0.0000078000000000, -0.0005834400000000 ] - [ -0.0017794700000000, -0.0011824200000000, -0.0013737500000000 ] - [ 0.0002205000000000, -0.0000078000000000, -0.0005834400000000 ] - [ -0.0103580800000000, 0.0119762600000000, -0.0053894900000000 ] - [ 0.0013880200000000, 0.0000436300000000, -0.0004594800000000 ] - [ -0.0103580800000000, -0.0119762600000000, -0.0053894900000000 ] - [ 0.0013880200000000, -0.0000436300000000, -0.0004594800000000 ] - [ -0.0003055200000000, 0.0000000000000000, -0.0001474800000000 ] - [ 0.0012671700000000, 0.0000000000000000, -0.0004855100000000 ] - [ 0.0013421100000000, 0.0000000000000000, 0.0001140900000000 ] - [ 0.0011891900000000, 0.0000000000000000, 0.0029580900000000 ] - [ 0.0001641400000000, -0.0004965200000000, 0.0003444400000000 ] - [ -0.0005366500000000, 0.0006813600000000, 0.0011592100000000 ] - [ 0.0001641400000000, 0.0004965200000000, 0.0003444400000000 ] - [ -0.0005366500000000, -0.0006813600000000, 0.0011592100000000 ] - [ -0.0007409200000000, 0.0000633700000000, 0.0005578700000000 ] - [ 0.0015125900000000, -0.0003422700000000, -0.0000154400000000 ] - [ -0.0007409200000000, -0.0000633700000000, 0.0005578700000000 ] - [ 0.0015125900000000, 0.0003422700000000, -0.0000154400000000 ] - [ -0.0000514000000000, 0.0000000000000000, 0.0008126400000000 ] - [ 0.0011595500000000, 0.0000000000000000, 0.0001860400000000 ] - [ 0.0034013700000000, 0.0000000000000000, -0.0111009800000000 ] - [ 0.0002855700000000, 0.0000000000000000, 0.0006664800000000 ] - [ -0.0014076500000000, -0.0009235000000000, -0.0001561700000000 ] - [ 0.0002014900000000, 0.0000451300000000, 0.0006575500000000 ] - [ -0.0014076500000000, 0.0009235000000000, -0.0001561700000000 ] - [ 0.0002014900000000, -0.0000451300000000, 0.0006575500000000 ] - [ 0.0016730300000000, 0.0049484600000000, 0.0043442800000000 ] - [ 0.0016966900000000, -0.0002177600000000, -0.0004257700000000 ] - [ 0.0016730300000000, -0.0049484600000000, 0.0043442800000000 ] - [ 0.0016966900000000, 0.0002177600000000, -0.0004257700000000 ] - [ -0.0003711000000000, 0.0000000000000000, -0.0004508400000000 ] - [ 0.0014587200000000, 0.0000000000000000, -0.0004677100000000 ] - [ 0.0004137600000000, 0.0000000000000000, -0.0005696100000000 ] - [ -0.0010119100000000, 0.0000000000000000, -0.0022972900000000 ] - [ 0.0002027000000000, -0.0002487900000000, -0.0006177200000000 ] - [ -0.0010109700000000, 0.0003390700000000, -0.0014672300000000 ] - [ 0.0002027000000000, 0.0002487900000000, -0.0006177200000000 ] - [ -0.0010109700000000, -0.0003390700000000, -0.0014672300000000 ] - [ 0.0052586600000000, -0.0068809700000000, -0.0039171400000000 ] - [ 0.0016506700000000, 0.0001731500000000, 0.0006649800000000 ] - [ 0.0052586600000000, 0.0068809700000000, -0.0039171400000000 ] - [ 0.0016506700000000, -0.0001731500000000, 0.0006649800000000 ] - [ 0.0000581500000000, 0.0000000000000000, 0.0005534200000000 ] - [ 0.0015357900000000, 0.0000000000000000, 0.0006861200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1658254100000000, 0.0000000000000000, -0.1664909300000000 ] - [ 0.0000169400000000, 0.0000000000000000, 0.0009109600000000 ] - [ 0.0021055800000000, -0.0000847400000000, -0.0025328600000000 ] - [ 0.0000631200000000, -0.0000099900000000, 0.0008290800000000 ] - [ 0.0021055800000000, 0.0000847400000000, -0.0025328600000000 ] - [ 0.0000631200000000, 0.0000099900000000, 0.0008290800000000 ] - [ -0.0015944300000000, 0.0005747800000000, 0.0016582600000000 ] - [ -0.0008666100000000, -0.0000573900000000, 0.0006025200000000 ] - [ -0.0015944300000000, -0.0005747800000000, 0.0016582600000000 ] - [ -0.0008666100000000, 0.0000573900000000, 0.0006025200000000 ] - [ -0.0004421200000000, 0.0000000000000000, -0.0002539800000000 ] - [ -0.0007899400000000, 0.0000000000000000, 0.0004562400000000 ] - [ -0.0005827700000000, 0.0000000000000000, -0.0022831700000000 ] - [ -0.0002137200000000, 0.0000000000000000, -0.0012336700000000 ] - [ -0.0002169500000000, -0.0005059600000000, -0.0012535500000000 ] - [ 0.0001247100000000, 0.0001140000000000, -0.0007724300000000 ] - [ -0.0002169500000000, 0.0005059600000000, -0.0012535500000000 ] - [ 0.0001247100000000, -0.0001140000000000, -0.0007724300000000 ] - [ 0.0006130300000000, -0.0001254300000000, 0.0015715600000000 ] - [ -0.0009712600000000, 0.0000161700000000, -0.0007781200000000 ] - [ 0.0006130300000000, 0.0001254300000000, 0.0015715600000000 ] - [ -0.0009712600000000, -0.0000161700000000, -0.0007781200000000 ] - [ -0.0000175600000000, 0.0000000000000000, 0.0008265900000000 ] - [ -0.0009110200000000, 0.0000000000000000, -0.0006773200000000 ] - [ -0.2095281000000000, 0.0000000000000000, 0.2074632200000000 ] - [ -0.0000993300000000, 0.0000000000000000, -0.0003053300000000 ] - [ -0.0049108500000000, -0.0008406300000000, 0.0006479600000000 ] - [ -0.0002074100000000, 0.0000180600000000, -0.0002702300000000 ] - [ -0.0049108500000000, 0.0008406300000000, 0.0006479600000000 ] - [ -0.0002074100000000, -0.0000180600000000, -0.0002702300000000 ] - [ 0.0034449700000000, 0.0022547400000000, -0.0027913300000000 ] - [ 0.0023878300000000, -0.0001472400000000, -0.0001851900000000 ] - [ 0.0034449700000000, -0.0022547400000000, -0.0027913300000000 ] - [ 0.0023878300000000, 0.0001472400000000, -0.0001851900000000 ] - [ 0.0004299300000000, 0.0000000000000000, -0.0002726900000000 ] - [ 0.0021552500000000, 0.0000000000000000, -0.0001656500000000 ] - [ 0.0006309900000000, 0.0000000000000000, 0.0022923700000000 ] - [ 0.0006319600000000, 0.0000000000000000, -0.0002364500000000 ] - [ -0.0003735500000000, 0.0000097700000000, 0.0008993400000000 ] - [ -0.0003745900000000, 0.0007968100000000, -0.0000399000000000 ] - [ -0.0003735500000000, -0.0000097700000000, 0.0008993400000000 ] - [ -0.0003745900000000, -0.0007968100000000, -0.0000399000000000 ] - [ 0.0008099700000000, 0.0000690800000000, -0.0020666900000000 ] - [ 0.0001501400000000, -0.0002664600000000, -0.0006699200000000 ] - [ 0.0008099700000000, -0.0000690800000000, -0.0020666900000000 ] - [ 0.0001501400000000, 0.0002664600000000, -0.0006699200000000 ] - [ -0.0006091700000000, 0.0000000000000000, -0.0003276400000000 ] - [ -0.0001147600000000, 0.0000000000000000, -0.0007160900000000 ] - [ 0.0052486400000000, 0.0000000000000000, 0.0026760600000000 ] - [ 0.0020452100000000, 0.0000000000000000, 0.0000404000000000 ] - [ 0.0023082200000000, -0.0026653500000000, 0.0006572200000000 ] - [ 0.0014723400000000, 0.0001027300000000, -0.0001645600000000 ] - [ 0.0023082200000000, 0.0026653500000000, 0.0006572200000000 ] - [ 0.0014723400000000, -0.0001027300000000, -0.0001645600000000 ] - [ -0.0047159000000000, 0.0006408400000000, -0.0001441400000000 ] - [ 0.0004564700000000, -0.0000023100000000, 0.0008832700000000 ] - [ -0.0047159000000000, -0.0006408400000000, -0.0001441400000000 ] - [ 0.0004564700000000, 0.0000023100000000, 0.0008832700000000 ] - [ -0.0019252100000000, 0.0000000000000000, 0.0000648600000000 ] - [ 0.0003353800000000, 0.0000000000000000, 0.0008270800000000 ] - [ 0.0110689000000000, 0.0000000000000000, -0.0393442100000000 ] - [ 0.0017302500000000, 0.0000000000000000, 0.0000496600000000 ] - [ -0.0012723000000000, 0.0016593800000000, 0.0016980000000000 ] - [ 0.0015853300000000, -0.0000749300000000, 0.0000902900000000 ] - [ -0.0012723000000000, -0.0016593800000000, 0.0016980000000000 ] - [ 0.0015853300000000, 0.0000749300000000, 0.0000902900000000 ] - [ 0.0003057100000000, -0.0012855700000000, -0.0026165800000000 ] - [ 0.0024146700000000, 0.0001211600000000, 0.0004489100000000 ] - [ 0.0003057100000000, 0.0012855700000000, -0.0026165800000000 ] - [ 0.0024146700000000, -0.0001211600000000, 0.0004489100000000 ] - [ 0.0004613000000000, 0.0000000000000000, -0.0004899800000000 ] - [ 0.0022284600000000, 0.0000000000000000, 0.0004130900000000 ] - [ -0.0019594800000000, -0.0004656900000000, 0.0011108500000000 ] - [ 0.0014493000000000, -0.0000385200000000, -0.0004815200000000 ] - [ -0.0019594800000000, 0.0004656900000000, 0.0011108500000000 ] - [ 0.0014493000000000, 0.0000385200000000, -0.0004815200000000 ] - [ -0.0004118800000000, 0.0000000000000000, -0.0001957100000000 ] - [ 0.0013661600000000, 0.0000000000000000, -0.0004514400000000 ] - [ 0.0015140100000000, 0.0002779000000000, 0.0004041900000000 ] - [ 0.0021571600000000, -0.0010196000000000, 0.0007617400000000 ] - [ 0.0015140100000000, -0.0002779000000000, 0.0004041900000000 ] - [ 0.0021571600000000, 0.0010196000000000, 0.0007617400000000 ] - [ 0.0013442300000000, 0.0000000000000000, 0.0003343600000000 ] - [ 0.0006170900000000, 0.0000000000000000, 0.0003018100000000 ] - [ -0.0026440600000000, 0.0000000000000000, -0.0018295400000000 ] - [ 0.0000707300000000, 0.0000000000000000, 0.0002115800000000 ] - [ -0.0017025000000000, -0.0001316600000000, 0.0004593500000000 ] - [ -0.0000006000000000, 0.0000566200000000, 0.0002474500000000 ] - [ -0.0017025000000000, 0.0001316600000000, 0.0004593500000000 ] - [ -0.0000006000000000, -0.0000566200000000, 0.0002474500000000 ] - [ 0.0017773100000000, 0.0000000000000000, 0.0017059000000000 ] - [ 0.0001736500000000, 0.0000000000000000, -0.0002800000000000 ] - [ -0.0000233500000000, 0.0017438400000000, 0.0003024600000000 ] - [ -0.0000832700000000, -0.0001199600000000, -0.0003230400000000 ] - [ -0.0000233500000000, -0.0017438400000000, 0.0003024600000000 ] - [ -0.0000832700000000, 0.0001199600000000, -0.0003230400000000 ] - [ 0.0063554500000000, 0.0000000000000000, 0.0027815300000000 ] - [ -0.0017549500000000, 0.0000000000000000, -0.0004297200000000 ] - [ 0.0013134200000000, -0.0006655000000000, -0.0004464200000000 ] - [ -0.0016079900000000, 0.0000182600000000, -0.0004484900000000 ] - [ 0.0013134200000000, 0.0006655000000000, -0.0004464200000000 ] - [ -0.0016079900000000, -0.0000182600000000, -0.0004484900000000 ] - [ 0.0064015400000000, 0.0027838700000000, -0.0025281100000000 ] - [ -0.0005621500000000, -0.0000989800000000, -0.0005677300000000 ] - [ 0.0064015400000000, -0.0027838700000000, -0.0025281100000000 ] - [ -0.0005621500000000, 0.0000989800000000, -0.0005677300000000 ] - [ 0.0018160500000000, 0.0000000000000000, -0.0004706700000000 ] - [ -0.0003456600000000, 0.0000000000000000, -0.0005256900000000 ] - [ -0.0035021200000000, 0.0000000000000000, 0.0011561800000000 ] - [ -0.0029961200000000, 0.0000000000000000, -0.0000400500000000 ] - [ -0.0014283600000000, 0.0008811300000000, 0.0007379700000000 ] - [ -0.0014620000000000, -0.0007042500000000, 0.0003874500000000 ] - [ -0.0014283600000000, -0.0008811300000000, 0.0007379700000000 ] - [ -0.0014620000000000, 0.0007042500000000, 0.0003874500000000 ] - [ 0.0018863000000000, -0.0006350900000000, 0.0001710700000000 ] - [ -0.0005564400000000, 0.0002839700000000, 0.0007460800000000 ] - [ 0.0018863000000000, 0.0006350900000000, 0.0001710700000000 ] - [ -0.0005564400000000, -0.0002839700000000, 0.0007460800000000 ] - [ 0.0015773100000000, 0.0000000000000000, 0.0000380100000000 ] - [ -0.0002442800000000, 0.0000000000000000, 0.0006584300000000 ] - [ 0.0093921400000000, 0.0000000000000000, -0.0009164400000000 ] - [ -0.0019167000000000, 0.0000000000000000, 0.0006221200000000 ] - [ 0.0017269800000000, 0.0008777100000000, 0.0013209000000000 ] - [ -0.0017931500000000, -0.0000548800000000, 0.0006332200000000 ] - [ 0.0017269800000000, -0.0008777100000000, 0.0013209000000000 ] - [ -0.0017931500000000, 0.0000548800000000, 0.0006332200000000 ] - [ 0.0050943200000000, -0.0029850100000000, -0.0016072800000000 ] - [ -0.0008517800000000, 0.0001776900000000, -0.0007280300000000 ] - [ 0.0050943200000000, 0.0029850100000000, -0.0016072800000000 ] - [ -0.0008517800000000, -0.0001776900000000, -0.0007280300000000 ] - [ 0.0025990300000000, 0.0000000000000000, -0.0004773800000000 ] - [ -0.0006215400000000, 0.0000000000000000, -0.0007275500000000 ] - [ -0.0020382800000000, 0.0000000000000000, -0.0008417900000000 ] - [ -0.0012395300000000, 0.0000000000000000, -0.0007738400000000 ] - [ -0.0015828900000000, 0.0004712100000000, -0.0006968500000000 ] - [ -0.0005801300000000, -0.0005335000000000, -0.0007491800000000 ] - [ -0.0015828900000000, -0.0004712100000000, -0.0006968500000000 ] - [ -0.0005801300000000, 0.0005335000000000, -0.0007491800000000 ] - [ -0.0027281500000000, 0.0052613800000000, 0.0027125300000000 ] - [ -0.0009514300000000, -0.0003690800000000, 0.0006385400000000 ] - [ -0.0027281500000000, -0.0052613800000000, 0.0027125300000000 ] - [ -0.0009514300000000, 0.0003690800000000, 0.0006385400000000 ] - [ 0.0009035100000000, 0.0000000000000000, 0.0008113300000000 ] - [ -0.0006676200000000, 0.0000000000000000, 0.0005989700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1622948300000000, 0.0000000000000000, 0.1593140500000000 ] - [ 0.0010074200000000, 0.0000000000000000, -0.0008383100000000 ] - [ -0.0010809000000000, 0.0000834000000000, 0.0026053000000000 ] - [ 0.0009599300000000, 0.0000099800000000, -0.0007543300000000 ] - [ -0.0010809000000000, -0.0000834000000000, 0.0026053000000000 ] - [ 0.0009599300000000, -0.0000099800000000, -0.0007543300000000 ] - [ 0.0005732700000000, -0.0005743200000000, -0.0017320400000000 ] - [ -0.0001565500000000, 0.0000574700000000, -0.0006766800000000 ] - [ 0.0005732700000000, 0.0005743200000000, -0.0017320400000000 ] - [ -0.0001565500000000, -0.0000574700000000, -0.0006766800000000 ] - [ -0.0005812000000000, 0.0000000000000000, 0.0001805400000000 ] - [ -0.0002313100000000, 0.0000000000000000, -0.0005337100000000 ] - [ 0.0016045000000000, 0.0000000000000000, 0.0022090900000000 ] - [ 0.0012375100000000, 0.0000000000000000, 0.0011613800000000 ] - [ 0.0012392900000000, 0.0005058000000000, 0.0011784800000000 ] - [ 0.0008996400000000, -0.0001143900000000, 0.0007002300000000 ] - [ 0.0012392900000000, -0.0005058000000000, 0.0011784800000000 ] - [ 0.0008996400000000, 0.0001143900000000, 0.0007002300000000 ] - [ -0.0016342500000000, 0.0001261000000000, -0.0014956400000000 ] - [ -0.0000508700000000, -0.0000162400000000, 0.0008537800000000 ] - [ -0.0016342500000000, -0.0001261000000000, -0.0014956400000000 ] - [ -0.0000508700000000, 0.0000162400000000, 0.0008537800000000 ] - [ -0.0010038800000000, 0.0000000000000000, -0.0007502000000000 ] - [ -0.0001118100000000, 0.0000000000000000, 0.0007520200000000 ] - [ 0.2046933200000000, 0.0000000000000000, -0.1998932900000000 ] - [ -0.0024530500000000, 0.0000000000000000, 0.0004405700000000 ] - [ 0.0023603500000000, 0.0008308100000000, -0.0005136000000000 ] - [ -0.0023386300000000, -0.0000181600000000, 0.0003974900000000 ] - [ 0.0023603500000000, -0.0008308100000000, -0.0005136000000000 ] - [ -0.0023386300000000, 0.0000181600000000, 0.0003974900000000 ] - [ -0.0008995000000000, -0.0022608000000000, 0.0026657900000000 ] - [ 0.0001621700000000, 0.0001474100000000, 0.0000502500000000 ] - [ -0.0008995000000000, 0.0022608000000000, 0.0026657900000000 ] - [ 0.0001621700000000, -0.0001474100000000, 0.0000502500000000 ] - [ 0.0021253600000000, 0.0000000000000000, 0.0001350600000000 ] - [ 0.0003870100000000, 0.0000000000000000, 0.0000403300000000 ] - [ -0.0031841700000000, 0.0000000000000000, -0.0024318000000000 ] - [ -0.0031823300000000, 0.0000000000000000, 0.0001125300000000 ] - [ -0.0021764700000000, -0.0000092000000000, -0.0010332100000000 ] - [ -0.0021773800000000, -0.0007985800000000, -0.0000915300000000 ] - [ -0.0021764700000000, 0.0000092000000000, -0.0010332100000000 ] - [ -0.0021773800000000, 0.0007985800000000, -0.0000915300000000 ] - [ -0.0019862700000000, -0.0000697800000000, 0.0011138900000000 ] - [ -0.0013251300000000, 0.0002661800000000, -0.0002803700000000 ] - [ -0.0019862700000000, 0.0000697800000000, 0.0011138900000000 ] - [ -0.0013251300000000, -0.0002661800000000, -0.0002803700000000 ] - [ -0.0005677100000000, 0.0000000000000000, -0.0006227800000000 ] - [ -0.0010581100000000, 0.0000000000000000, -0.0002378800000000 ] - [ -0.0040926400000000, 0.0000000000000000, -0.0036379300000000 ] - [ -0.0008742300000000, 0.0000000000000000, -0.0009977900000000 ] - [ -0.0011338400000000, 0.0026699100000000, -0.0016055600000000 ] - [ -0.0002969000000000, -0.0001029000000000, -0.0007876300000000 ] - [ -0.0011338400000000, -0.0026699100000000, -0.0016055600000000 ] - [ -0.0002969000000000, 0.0001029000000000, -0.0007876300000000 ] - [ 0.0035344600000000, -0.0006356600000000, 0.0010884800000000 ] - [ -0.0016340500000000, 0.0000023500000000, 0.0000668700000000 ] - [ 0.0035344600000000, 0.0006356600000000, 0.0010884800000000 ] - [ -0.0016340500000000, -0.0000023500000000, 0.0000668700000000 ] - [ 0.0007530600000000, 0.0000000000000000, 0.0008889500000000 ] - [ -0.0015127600000000, 0.0000000000000000, 0.0001232400000000 ] - [ -0.0100322200000000, 0.0000000000000000, 0.0399592100000000 ] - [ -0.0005553300000000, 0.0000000000000000, 0.0009015800000000 ] - [ 0.0024498800000000, -0.0016615800000000, -0.0007452000000000 ] - [ -0.0004123600000000, 0.0000751600000000, 0.0008632600000000 ] - [ 0.0024498800000000, 0.0016615800000000, -0.0007452000000000 ] - [ -0.0004123600000000, -0.0000751600000000, 0.0008632600000000 ] - [ 0.0022476100000000, 0.0012834700000000, 0.0027525300000000 ] - [ 0.0001333300000000, -0.0001216900000000, -0.0003170000000000 ] - [ 0.0022476100000000, -0.0012834700000000, 0.0027525300000000 ] - [ 0.0001333300000000, 0.0001216900000000, -0.0003170000000000 ] - [ 0.0020818300000000, 0.0000000000000000, 0.0006150700000000 ] - [ 0.0003204800000000, 0.0000000000000000, -0.0002802800000000 ] - [ 0.0033486500000000, 0.0004638200000000, -0.0018535500000000 ] - [ -0.0000631700000000, 0.0000386600000000, -0.0002592400000000 ] - [ 0.0033486500000000, -0.0004638200000000, -0.0018535500000000 ] - [ -0.0000631700000000, -0.0000386600000000, -0.0002592400000000 ] - [ 0.0018006900000000, 0.0000000000000000, -0.0005447600000000 ] - [ 0.0000206000000000, 0.0000000000000000, -0.0002882000000000 ] - [ -0.0001287900000000, -0.0002789100000000, 0.0003368800000000 ] - [ -0.0007747900000000, 0.0010255400000000, -0.0000265300000000 ] - [ -0.0001287900000000, 0.0002789100000000, 0.0003368800000000 ] - [ -0.0007747900000000, -0.0010255400000000, -0.0000265300000000 ] - [ 0.0000414400000000, 0.0000000000000000, 0.0004064700000000 ] - [ 0.0007687100000000, 0.0000000000000000, 0.0004376800000000 ] - [ 0.0012558700000000, 0.0000000000000000, 0.0025704800000000 ] - [ -0.0014585700000000, 0.0000000000000000, 0.0005301400000000 ] - [ 0.0003172300000000, 0.0001325600000000, 0.0002804400000000 ] - [ -0.0013874600000000, -0.0000566500000000, 0.0004929400000000 ] - [ 0.0003172300000000, -0.0001325600000000, 0.0002804400000000 ] - [ -0.0013874600000000, 0.0000566500000000, 0.0004929400000000 ] - [ -0.0031420500000000, 0.0000000000000000, -0.0024311300000000 ] - [ -0.0015607000000000, 0.0000000000000000, -0.0004608100000000 ] - [ -0.0013561300000000, -0.0017361600000000, -0.0010408800000000 ] - [ -0.0013032400000000, 0.0001201400000000, -0.0004178300000000 ] - [ -0.0013561300000000, 0.0017361600000000, -0.0010408800000000 ] - [ -0.0013032400000000, -0.0001201400000000, -0.0004178300000000 ] - [ -0.0075138300000000, 0.0000000000000000, -0.0038314500000000 ] - [ 0.0006155000000000, 0.0000000000000000, -0.0005955900000000 ] - [ -0.0024587500000000, 0.0006631600000000, -0.0005800300000000 ] - [ 0.0004676700000000, -0.0000180700000000, -0.0005768800000000 ] - [ -0.0024587500000000, -0.0006631600000000, -0.0005800300000000 ] - [ 0.0004676700000000, 0.0000180700000000, -0.0005768800000000 ] - [ -0.0051213200000000, -0.0029464600000000, 0.0015866200000000 ] - [ 0.0017057600000000, 0.0000994100000000, -0.0004576900000000 ] - [ -0.0051213200000000, 0.0029464600000000, 0.0015866200000000 ] - [ 0.0017057600000000, -0.0000994100000000, -0.0004576900000000 ] - [ -0.0006707600000000, 0.0000000000000000, -0.0005512700000000 ] - [ 0.0014891100000000, 0.0000000000000000, -0.0004995800000000 ] - [ 0.0023708500000000, 0.0000000000000000, -0.0001363800000000 ] - [ 0.0018546700000000, 0.0000000000000000, 0.0010714600000000 ] - [ 0.0002880900000000, -0.0008825600000000, 0.0002860100000000 ] - [ 0.0003202700000000, 0.0007046900000000, 0.0006393500000000 ] - [ 0.0002880900000000, 0.0008825600000000, 0.0002860100000000 ] - [ 0.0003202700000000, -0.0007046900000000, 0.0006393500000000 ] - [ -0.0007446000000000, 0.0006375800000000, 0.0008561000000000 ] - [ 0.0017000200000000, -0.0002850700000000, 0.0002778700000000 ] - [ -0.0007446000000000, -0.0006375800000000, 0.0008561000000000 ] - [ 0.0017000200000000, 0.0002850700000000, 0.0002778700000000 ] - [ -0.0004364000000000, 0.0000000000000000, 0.0009874300000000 ] - [ 0.0013880200000000, 0.0000000000000000, 0.0003658400000000 ] - [ -0.0106019600000000, 0.0000000000000000, 0.0024781800000000 ] - [ 0.0007739500000000, 0.0000000000000000, 0.0006810100000000 ] - [ -0.0028748700000000, -0.0008785800000000, -0.0000157500000000 ] - [ 0.0006504600000000, 0.0000547100000000, 0.0006707200000000 ] - [ -0.0028748700000000, 0.0008785800000000, -0.0000157500000000 ] - [ 0.0006504600000000, -0.0000547100000000, 0.0006707200000000 ] - [ -0.0041043900000000, 0.0027943500000000, 0.0001933100000000 ] - [ 0.0019982700000000, -0.0001779900000000, -0.0005750500000000 ] - [ -0.0041043900000000, -0.0027943500000000, 0.0001933100000000 ] - [ 0.0019982700000000, 0.0001779900000000, -0.0005750500000000 ] - [ -0.0014607200000000, 0.0000000000000000, -0.0008278700000000 ] - [ 0.0017674000000000, 0.0000000000000000, -0.0005763700000000 ] - [ 0.0008961500000000, 0.0000000000000000, -0.0004604800000000 ] - [ 0.0000936000000000, 0.0000000000000000, -0.0005345100000000 ] - [ 0.0004397800000000, -0.0004722100000000, -0.0006066200000000 ] - [ -0.0005642000000000, 0.0005330500000000, -0.0005567400000000 ] - [ 0.0004397800000000, 0.0004722100000000, -0.0006066200000000 ] - [ -0.0005642000000000, -0.0005330500000000, -0.0005567400000000 ] - [ 0.0038793200000000, -0.0052731400000000, -0.0014203700000000 ] - [ 0.0020983500000000, 0.0003707100000000, 0.0006651700000000 ] - [ 0.0038793200000000, 0.0052731400000000, -0.0014203700000000 ] - [ 0.0020983500000000, -0.0003707100000000, 0.0006651700000000 ] - [ 0.0002423100000000, 0.0000000000000000, 0.0004911200000000 ] - [ 0.0018132200000000, 0.0000000000000000, 0.0007052300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002509700000000, 0.0421945100000000, 0.0010593100000000 ] - [ 0.0005126300000000, -0.0000302800000000, 0.0000353000000000 ] - [ -0.0015613100000000, 0.0005448200000000, 0.0027685700000000 ] - [ 0.0005259900000000, 0.0000148400000000, 0.0000064200000000 ] - [ 0.0025618500000000, 0.0005470500000000, -0.0026644900000000 ] - [ 0.0004978000000000, 0.0000149700000000, 0.0000662900000000 ] - [ -0.0010750600000000, 0.0000640100000000, 0.0011578000000000 ] - [ -0.0004252600000000, -0.0000318200000000, -0.0001958100000000 ] - [ 0.0000517100000000, 0.0000623800000000, -0.0012309700000000 ] - [ -0.0005979400000000, -0.0000323600000000, 0.0001220200000000 ] - [ -0.0005109700000000, 0.0001616200000000, -0.0000378400000000 ] - [ -0.0005109200000000, 0.0000609000000000, -0.0000378300000000 ] - [ 0.0005150900000000, -0.0004161200000000, -0.0000333800000000 ] - [ 0.0005154200000000, -0.0000323400000000, -0.0000312800000000 ] - [ 0.0013005000000000, 0.0004985100000000, 0.0012102300000000 ] - [ 0.0005715000000000, -0.0000114300000000, 0.0000689000000000 ] - [ -0.0002713200000000, 0.0004969400000000, -0.0012750000000000 ] - [ 0.0004553900000000, -0.0000098600000000, -0.0001363500000000 ] - [ 0.0010360000000000, 0.0001403200000000, 0.0011341800000000 ] - [ -0.0005480000000000, -0.0000172200000000, -0.0000194800000000 ] - [ -0.0020696200000000, 0.0001356700000000, -0.0010705300000000 ] - [ -0.0004742300000000, -0.0000172600000000, 0.0000950600000000 ] - [ -0.0005130000000000, 0.0001728800000000, 0.0000354400000000 ] - [ -0.0005110600000000, 0.0000337800000000, 0.0000379500000000 ] - [ -0.0004647400000000, -0.0518845100000000, -0.0010459000000000 ] - [ -0.0012784800000000, -0.0000621400000000, 0.0000694400000000 ] - [ -0.0004357100000000, 0.0051797100000000, -0.0012305100000000 ] - [ -0.0012962100000000, 0.0000311500000000, 0.0000913600000000 ] - [ -0.0021086700000000, 0.0051391600000000, 0.0013586500000000 ] - [ -0.0012573200000000, 0.0000316500000000, 0.0000436100000000 ] - [ 0.0035352400000000, -0.0000580700000000, -0.0020730000000000 ] - [ 0.0011281900000000, -0.0000816700000000, 0.0000084400000000 ] - [ -0.0009825400000000, -0.0000674300000000, 0.0019504600000000 ] - [ 0.0014226300000000, -0.0000829100000000, -0.0001461800000000 ] - [ 0.0012757700000000, 0.0008654700000000, -0.0000668800000000 ] - [ 0.0012745500000000, 0.0001674500000000, -0.0000668200000000 ] - [ -0.0012780000000000, -0.0002046200000000, -0.0000714200000000 ] - [ -0.0012847100000000, -0.0002048100000000, -0.0000645100000000 ] - [ -0.0020775500000000, -0.0000277800000000, -0.0011261500000000 ] - [ -0.0012879700000000, -0.0000315700000000, 0.0000243700000000 ] - [ -0.0004819000000000, -0.0000255000000000, 0.0009796600000000 ] - [ -0.0012713200000000, -0.0000214700000000, -0.0001603500000000 ] - [ 0.0004041900000000, -0.0002198000000000, -0.0015924500000000 ] - [ -0.0008617800000000, -0.0001695500000000, -0.0005355500000000 ] - [ -0.0015799100000000, -0.0002205600000000, 0.0006407400000000 ] - [ -0.0003139700000000, -0.0001717700000000, -0.0004117400000000 ] - [ -0.0005904900000000, 0.0003284300000000, -0.0004738200000000 ] - [ -0.0005864800000000, 0.0003397900000000, -0.0004748900000000 ] - [ 0.0005876800000000, -0.0029992900000000, -0.0004764500000000 ] - [ 0.0005830900000000, -0.0001328100000000, -0.0004807100000000 ] - [ -0.0016066600000000, 0.0028710300000000, -0.0015098100000000 ] - [ 0.0007143700000000, 0.0000767100000000, -0.0006052100000000 ] - [ 0.0027706400000000, 0.0028554400000000, 0.0005539600000000 ] - [ 0.0004599400000000, 0.0000773100000000, -0.0003500900000000 ] - [ -0.0006220200000000, 0.0000883900000000, -0.0031985000000000 ] - [ -0.0005363500000000, -0.0000244600000000, 0.0005092800000000 ] - [ -0.0005586900000000, 0.0000733400000000, 0.0041690300000000 ] - [ -0.0006432600000000, -0.0000247400000000, 0.0004399200000000 ] - [ -0.0005864100000000, 0.0010850600000000, 0.0004807200000000 ] - [ -0.0005895600000000, 0.0000495200000000, 0.0004749000000000 ] - [ 0.0005158600000000, -0.0191932500000000, 0.0005767300000000 ] - [ 0.0005871000000000, -0.0001261300000000, 0.0004755100000000 ] - [ 0.0020617800000000, 0.0001037700000000, -0.0013808200000000 ] - [ 0.0005176900000000, 0.0000620800000000, 0.0004861600000000 ] - [ -0.0008645400000000, 0.0001185900000000, 0.0023076200000000 ] - [ 0.0006546200000000, 0.0000623800000000, 0.0004669000000000 ] - [ -0.0000051600000000, -0.0004339700000000, -0.0014137800000000 ] - [ 0.0013964600000000, -0.0000921000000000, 0.0000855600000000 ] - [ 0.0025630600000000, -0.0004461200000000, 0.0015745300000000 ] - [ 0.0011538000000000, -0.0000923400000000, 0.0000507500000000 ] - [ 0.0012771400000000, 0.0005447900000000, 0.0000675600000000 ] - [ 0.0012747300000000, 0.0001855000000000, 0.0000678700000000 ] - [ 0.0003559500000000, -0.0002983600000000, 0.0008385700000000 ] - [ 0.0006717000000000, -0.0000264700000000, -0.0003663000000000 ] - [ 0.0010449500000000, -0.0003095500000000, -0.0015893800000000 ] - [ 0.0007132300000000, -0.0000271000000000, -0.0003731800000000 ] - [ 0.0006949800000000, 0.0007061700000000, -0.0003717500000000 ] - [ 0.0006928300000000, 0.0000552000000000, -0.0003696500000000 ] - [ 0.0008249800000000, -0.0001838500000000, 0.0004077800000000 ] - [ -0.0006332900000000, -0.0003228100000000, 0.0011590800000000 ] - [ 0.0005596900000000, -0.0001843100000000, 0.0003326800000000 ] - [ 0.0020216300000000, -0.0003356900000000, -0.0004381500000000 ] - [ 0.0006919900000000, 0.0004043300000000, 0.0003703400000000 ] - [ 0.0006958600000000, 0.0005538600000000, 0.0003686800000000 ] - [ -0.0006857000000000, -0.0006766700000000, 0.0003665400000000 ] - [ -0.0006951100000000, -0.0000719900000000, 0.0003707500000000 ] - [ -0.0009365900000000, 0.0003586000000000, 0.0004968100000000 ] - [ -0.0006885700000000, 0.0000313500000000, 0.0003727500000000 ] - [ -0.0004496600000000, 0.0003605900000000, 0.0002429000000000 ] - [ -0.0007010700000000, 0.0000319800000000, 0.0003677600000000 ] - [ -0.0006925700000000, -0.0026852900000000, -0.0003699100000000 ] - [ -0.0006939000000000, -0.0001853700000000, -0.0003698400000000 ] - [ 0.0007088500000000, 0.0026371200000000, 0.0005500600000000 ] - [ -0.0008647200000000, 0.0000942900000000, -0.0004045700000000 ] - [ -0.0020812700000000, 0.0026195700000000, -0.0012808300000000 ] - [ -0.0005237100000000, 0.0000947000000000, -0.0003351600000000 ] - [ -0.0005970100000000, 0.0015992000000000, -0.0005374800000000 ] - [ -0.0005695200000000, 0.0001050700000000, -0.0005132500000000 ] - [ -0.0005738900000000, -0.0008858700000000, -0.0001384200000000 ] - [ -0.0005381000000000, -0.0000524400000000, -0.0005064700000000 ] - [ -0.0005750100000000, -0.0008962800000000, -0.0008826800000000 ] - [ -0.0006014900000000, -0.0000529900000000, -0.0005198500000000 ] - [ 0.0028180000000000, 0.0030074500000000, 0.0003792700000000 ] - [ 0.0004393800000000, 0.0000891000000000, -0.0005423500000000 ] - [ -0.0014742900000000, 0.0032413400000000, -0.0012949200000000 ] - [ 0.0007062700000000, 0.0000894800000000, -0.0004839200000000 ] - [ 0.0005682400000000, -0.0030923800000000, -0.0005146000000000 ] - [ 0.0005731500000000, -0.0001787700000000, -0.0005131200000000 ] - [ -0.0005705600000000, 0.0012996000000000, 0.0005110900000000 ] - [ -0.0005693600000000, 0.0009178300000000, 0.0005184700000000 ] - [ 0.0001259600000000, -0.0006424000000000, 0.0002711000000000 ] - [ -0.0014147400000000, -0.0004703300000000, 0.0006347400000000 ] - [ -0.0012634300000000, -0.0006433400000000, 0.0007506300000000 ] - [ 0.0002645000000000, -0.0004733900000000, 0.0003951100000000 ] - [ 0.0002478500000000, 0.0005191800000000, 0.0004695700000000 ] - [ 0.0006527300000000, 0.0000655200000000, 0.0005646200000000 ] - [ 0.0008893800000000, 0.0005251600000000, 0.0005622500000000 ] - [ 0.0004955400000000, 0.0000691100000000, 0.0004582100000000 ] - [ 0.0005709400000000, -0.0010501100000000, 0.0005149800000000 ] - [ 0.0005725900000000, -0.0001435500000000, 0.0005120900000000 ] - [ -0.0005791500000000, 0.0071162900000000, 0.0006637700000000 ] - [ -0.0005707700000000, 0.0001611800000000, 0.0006521800000000 ] - [ 0.0001564300000000, -0.0018468700000000, -0.0006310400000000 ] - [ -0.0005959100000000, -0.0000802900000000, 0.0006382200000000 ] - [ -0.0012985800000000, -0.0018494000000000, 0.0019218200000000 ] - [ -0.0005461800000000, -0.0000809000000000, 0.0006665600000000 ] - [ -0.0013771600000000, 0.0031957500000000, -0.0014552900000000 ] - [ 0.0006463500000000, 0.0000709000000000, -0.0006891300000000 ] - [ 0.0023345900000000, 0.0034045500000000, 0.0000397300000000 ] - [ 0.0005029800000000, 0.0000730300000000, -0.0006141000000000 ] - [ 0.0005750000000000, -0.0028300200000000, -0.0006511800000000 ] - [ 0.0005735600000000, -0.0001439700000000, -0.0006519800000000 ] - [ -0.0005714500000000, 0.0007033400000000, -0.0006519100000000 ] - [ -0.0005704000000000, 0.0008884500000000, -0.0006593200000000 ] - [ -0.0002358900000000, -0.0003509900000000, -0.0005367600000000 ] - [ -0.0010528200000000, -0.0004410000000000, -0.0011634500000000 ] - [ -0.0009053300000000, -0.0003519400000000, -0.0007662400000000 ] - [ -0.0000936000000000, -0.0004461300000000, -0.0001507100000000 ] - [ 0.0012980800000000, 0.0002931500000000, 0.0002070900000000 ] - [ 0.0003495200000000, 0.0002620300000000, 0.0006821800000000 ] - [ -0.0001215900000000, 0.0003560000000000, 0.0010856500000000 ] - [ 0.0007994700000000, 0.0002630500000000, 0.0006227300000000 ] - [ 0.0005676900000000, -0.0011798500000000, 0.0006547500000000 ] - [ 0.0005752100000000, -0.0005547200000000, 0.0006526900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1580344300000000, 0.0000000000000000, 0.2547573000000000 ] - [ 0.0006313400000000, 0.0000000000000000, -0.0001795300000000 ] - [ -0.0014256800000000, 0.0001594400000000, 0.0024558100000000 ] - [ 0.0006226600000000, -0.0000041400000000, -0.0001705300000000 ] - [ -0.0014256800000000, -0.0001594400000000, 0.0024558100000000 ] - [ 0.0006226600000000, 0.0000041400000000, -0.0001705300000000 ] - [ 0.0004949400000000, -0.0003118800000000, -0.0019303800000000 ] - [ -0.0006626700000000, 0.0000207400000000, 0.0002178400000000 ] - [ 0.0004949400000000, 0.0003118800000000, -0.0019303800000000 ] - [ -0.0006626700000000, -0.0000207400000000, 0.0002178400000000 ] - [ -0.0003399900000000, 0.0000000000000000, -0.0003077200000000 ] - [ -0.0005765500000000, 0.0000000000000000, 0.0000862900000000 ] - [ 0.0001477200000000, 0.0000000000000000, -0.0011438300000000 ] - [ 0.0016087400000000, 0.0000000000000000, 0.0015442900000000 ] - [ 0.0003655200000000, -0.0001310300000000, -0.0002484100000000 ] - [ 0.0009589300000000, -0.0001559900000000, 0.0007868100000000 ] - [ 0.0003655200000000, 0.0001310300000000, -0.0002484100000000 ] - [ 0.0009589300000000, 0.0001559900000000, 0.0007868100000000 ] - [ -0.0048563900000000, -0.0004907000000000, -0.0043149600000000 ] - [ -0.0003756400000000, -0.0000007900000000, 0.0002812300000000 ] - [ -0.0048563900000000, 0.0004907000000000, -0.0043149600000000 ] - [ -0.0003756400000000, 0.0000007900000000, 0.0002812300000000 ] - [ -0.0011612400000000, 0.0000000000000000, -0.0008349300000000 ] - [ -0.0003893400000000, 0.0000000000000000, 0.0002668100000000 ] - [ 0.1968253700000000, 0.0000000000000000, -0.3215860100000000 ] - [ -0.0016509700000000, 0.0000000000000000, 0.0000480400000000 ] - [ -0.0007001500000000, 0.0012832600000000, -0.0025122400000000 ] - [ -0.0016124100000000, -0.0000220200000000, 0.0000723000000000 ] - [ -0.0007001500000000, -0.0012832600000000, -0.0025122400000000 ] - [ -0.0016124100000000, 0.0000220200000000, 0.0000723000000000 ] - [ -0.0014515100000000, -0.0020152700000000, -0.0002787800000000 ] - [ 0.0011610900000000, 0.0000770200000000, -0.0003992900000000 ] - [ -0.0014515100000000, 0.0020152700000000, -0.0002787800000000 ] - [ 0.0011610900000000, -0.0000770200000000, -0.0003992900000000 ] - [ 0.0010751300000000, 0.0000000000000000, -0.0001099500000000 ] - [ 0.0011762800000000, 0.0000000000000000, -0.0002490700000000 ] - [ -0.0011029900000000, 0.0000000000000000, 0.0009673000000000 ] - [ -0.0036356600000000, 0.0000000000000000, 0.0009604900000000 ] - [ -0.0013028100000000, 0.0000917800000000, 0.0003069200000000 ] - [ -0.0022435700000000, -0.0010499400000000, 0.0003029500000000 ] - [ -0.0013028100000000, -0.0000917800000000, 0.0003069200000000 ] - [ -0.0022435700000000, 0.0010499400000000, 0.0003029500000000 ] - [ -0.0016387600000000, -0.0000258100000000, 0.0009833200000000 ] - [ -0.0000668000000000, -0.0000313700000000, -0.0001893800000000 ] - [ -0.0016387600000000, 0.0000258100000000, 0.0009833200000000 ] - [ -0.0000668000000000, 0.0000313700000000, -0.0001893800000000 ] - [ -0.0007718000000000, 0.0000000000000000, -0.0002278200000000 ] - [ -0.0002523700000000, 0.0000000000000000, -0.0002377000000000 ] - [ 0.0026733400000000, 0.0000000000000000, -0.0006793600000000 ] - [ -0.0003537100000000, 0.0000000000000000, -0.0015114400000000 ] - [ 0.0012332700000000, -0.0005897700000000, -0.0003742600000000 ] - [ 0.0002087500000000, -0.0000477900000000, -0.0010198400000000 ] - [ 0.0012332700000000, 0.0005897700000000, -0.0003742600000000 ] - [ 0.0002087500000000, 0.0000477900000000, -0.0010198400000000 ] - [ 0.0028289800000000, -0.0040775900000000, 0.0069526800000000 ] - [ -0.0008774000000000, 0.0000067300000000, 0.0003876300000000 ] - [ 0.0028289800000000, 0.0040775900000000, 0.0069526800000000 ] - [ -0.0008774000000000, -0.0000067300000000, 0.0003876300000000 ] - [ 0.0000124900000000, 0.0000000000000000, 0.0009739300000000 ] - [ -0.0008536600000000, 0.0000000000000000, 0.0003871000000000 ] - [ -0.0382048500000000, 0.0000000000000000, 0.0341391500000000 ] - [ 0.0003403300000000, 0.0000000000000000, 0.0005509400000000 ] - [ 0.0022926700000000, -0.0019400000000000, -0.0009822000000000 ] - [ 0.0003431200000000, -0.0000082100000000, 0.0005539200000000 ] - [ 0.0022926700000000, 0.0019400000000000, -0.0009822000000000 ] - [ 0.0003431200000000, 0.0000082100000000, 0.0005539200000000 ] - [ 0.0039635400000000, 0.0014941700000000, 0.0061603500000000 ] - [ 0.0008965100000000, -0.0000175700000000, 0.0000925700000000 ] - [ 0.0039635400000000, -0.0014941700000000, 0.0061603500000000 ] - [ 0.0008965100000000, 0.0000175700000000, 0.0000925700000000 ] - [ 0.0018312500000000, 0.0000000000000000, 0.0009040700000000 ] - [ 0.0009329500000000, 0.0000000000000000, 0.0000611500000000 ] - [ 0.0020835700000000, 0.0012349200000000, 0.0006112500000000 ] - [ 0.0004007900000000, 0.0000475300000000, -0.0003125300000000 ] - [ 0.0020835700000000, -0.0012349200000000, 0.0006112500000000 ] - [ 0.0004007900000000, -0.0000475300000000, -0.0003125300000000 ] - [ 0.0009047600000000, 0.0000000000000000, -0.0002667800000000 ] - [ 0.0004518000000000, 0.0000000000000000, -0.0003371800000000 ] - [ 0.0003949900000000, -0.0000240500000000, 0.0000929400000000 ] - [ 0.0004732500000000, 0.0014243800000000, -0.0019976700000000 ] - [ 0.0003949900000000, 0.0000240500000000, 0.0000929400000000 ] - [ 0.0004732500000000, -0.0014243800000000, -0.0019976700000000 ] - [ 0.0004348400000000, 0.0000000000000000, 0.0001846800000000 ] - [ 0.0008828100000000, 0.0000000000000000, 0.0000417700000000 ] - [ -0.0002819300000000, 0.0000000000000000, 0.0050254100000000 ] - [ -0.0010134400000000, 0.0000000000000000, 0.0005887500000000 ] - [ -0.0007231200000000, 0.0001206800000000, 0.0008347000000000 ] - [ -0.0009556600000000, -0.0000381100000000, 0.0005392500000000 ] - [ -0.0007231200000000, -0.0001206800000000, 0.0008347000000000 ] - [ -0.0009556600000000, 0.0000381100000000, 0.0005392500000000 ] - [ 0.0034315400000000, 0.0000000000000000, 0.0002885500000000 ] - [ -0.0010322000000000, 0.0000000000000000, -0.0004454800000000 ] - [ 0.0007105900000000, 0.0016151800000000, 0.0002307800000000 ] - [ -0.0009803500000000, 0.0000542900000000, -0.0004203400000000 ] - [ 0.0007105900000000, -0.0016151800000000, 0.0002307800000000 ] - [ -0.0009803500000000, -0.0000542900000000, -0.0004203400000000 ] - [ -0.0062393500000000, 0.0000000000000000, -0.0109855400000000 ] - [ -0.0001432700000000, 0.0000000000000000, -0.0006198200000000 ] - [ -0.0008757400000000, 0.0006611900000000, -0.0019954000000000 ] - [ -0.0002058100000000, 0.0000171400000000, -0.0005891700000000 ] - [ -0.0008757400000000, -0.0006611900000000, -0.0019954000000000 ] - [ -0.0002058100000000, -0.0000171400000000, -0.0005891700000000 ] - [ -0.0020589600000000, 0.0012201800000000, 0.0069705000000000 ] - [ 0.0010140800000000, 0.0000086400000000, -0.0004017600000000 ] - [ -0.0020589600000000, -0.0012201800000000, 0.0069705000000000 ] - [ 0.0010140800000000, -0.0000086400000000, -0.0004017600000000 ] - [ 0.0004115700000000, 0.0000000000000000, 0.0002206500000000 ] - [ 0.0009376400000000, 0.0000000000000000, -0.0004401300000000 ] - [ 0.0005648600000000, 0.0000000000000000, 0.0015901100000000 ] - [ -0.0003858000000000, 0.0000000000000000, 0.0025468700000000 ] - [ -0.0001661800000000, -0.0004064500000000, 0.0010394400000000 ] - [ -0.0009766700000000, 0.0002858500000000, 0.0011388300000000 ] - [ -0.0001661800000000, 0.0004064500000000, 0.0010394400000000 ] - [ -0.0009766700000000, -0.0002858500000000, 0.0011388300000000 ] - [ 0.0002911400000000, 0.0002638200000000, -0.0008085400000000 ] - [ 0.0010967500000000, -0.0003045900000000, -0.0000293200000000 ] - [ 0.0002911400000000, -0.0002638200000000, -0.0008085400000000 ] - [ 0.0010967500000000, 0.0003045900000000, -0.0000293200000000 ] - [ 0.0005707000000000, 0.0000000000000000, 0.0001430000000000 ] - [ 0.0008255000000000, 0.0000000000000000, 0.0002050100000000 ] - [ -0.0041353400000000, 0.0000000000000000, 0.0102039000000000 ] - [ -0.0002975700000000, 0.0000000000000000, 0.0006528500000000 ] - [ -0.0003637800000000, -0.0017959200000000, 0.0005852800000000 ] - [ -0.0003270200000000, 0.0000143600000000, 0.0006501300000000 ] - [ -0.0003637800000000, 0.0017959200000000, 0.0005852800000000 ] - [ -0.0003270200000000, -0.0000143600000000, 0.0006501300000000 ] - [ -0.0002403600000000, -0.0004401800000000, 0.0047424000000000 ] - [ 0.0011073800000000, -0.0001807200000000, -0.0003989200000000 ] - [ -0.0002403600000000, 0.0004401800000000, 0.0047424000000000 ] - [ 0.0011073800000000, 0.0001807200000000, -0.0003989200000000 ] - [ 0.0004351600000000, 0.0000000000000000, -0.0001896500000000 ] - [ 0.0009540200000000, 0.0000000000000000, -0.0004682500000000 ] - [ 0.0000889500000000, 0.0000000000000000, -0.0011354200000000 ] - [ -0.0015910100000000, 0.0000000000000000, -0.0030666200000000 ] - [ -0.0000864800000000, -0.0002371000000000, -0.0009471100000000 ] - [ -0.0013486600000000, -0.0000266800000000, -0.0015996900000000 ] - [ -0.0000864800000000, 0.0002371000000000, -0.0009471100000000 ] - [ -0.0013486600000000, 0.0000266800000000, -0.0015996900000000 ] - [ 0.0045405700000000, -0.0072059300000000, -0.0024627500000000 ] - [ 0.0007201000000000, -0.0000790500000000, 0.0006582200000000 ] - [ 0.0045405700000000, 0.0072059300000000, -0.0024627500000000 ] - [ 0.0007201000000000, 0.0000790500000000, 0.0006582200000000 ] - [ 0.0001805800000000, 0.0000000000000000, 0.0004919100000000 ] - [ 0.0007565200000000, 0.0000000000000000, 0.0006627700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.1702856300000000, 0.0000000000000000, -0.2660731200000000 ] - [ 0.0003899400000000, 0.0000000000000000, 0.0002561100000000 ] - [ 0.0024631400000000, -0.0001592300000000, -0.0023997200000000 ] - [ 0.0003982600000000, 0.0000041700000000, 0.0002477900000000 ] - [ 0.0024631400000000, 0.0001592300000000, -0.0023997200000000 ] - [ 0.0003982600000000, -0.0000041700000000, 0.0002477900000000 ] - [ -0.0015133500000000, 0.0003131800000000, 0.0018524100000000 ] - [ -0.0003590800000000, -0.0000210300000000, -0.0002939200000000 ] - [ -0.0015133500000000, -0.0003131800000000, 0.0018524100000000 ] - [ -0.0003590800000000, 0.0000210300000000, -0.0002939200000000 ] - [ -0.0006825500000000, 0.0000000000000000, 0.0002333900000000 ] - [ -0.0004443600000000, 0.0000000000000000, -0.0001636000000000 ] - [ 0.0008702300000000, 0.0000000000000000, 0.0010596000000000 ] - [ -0.0005937300000000, 0.0000000000000000, -0.0016259600000000 ] - [ 0.0006518000000000, 0.0001289400000000, 0.0001654600000000 ] - [ 0.0000620100000000, 0.0001567700000000, -0.0008644000000000 ] - [ 0.0006518000000000, -0.0001289400000000, 0.0001654600000000 ] - [ 0.0000620100000000, -0.0001567700000000, -0.0008644000000000 ] - [ 0.0038371800000000, 0.0004894900000000, 0.0043905700000000 ] - [ -0.0006469300000000, 0.0000006900000000, -0.0002069300000000 ] - [ 0.0038371800000000, -0.0004894900000000, 0.0043905700000000 ] - [ -0.0006469300000000, -0.0000006900000000, -0.0002069300000000 ] - [ 0.0001417300000000, 0.0000000000000000, 0.0009132400000000 ] - [ -0.0006335100000000, 0.0000000000000000, -0.0001926700000000 ] - [ -0.2106725900000000, 0.0000000000000000, 0.3323307500000000 ] - [ -0.0009003600000000, 0.0000000000000000, 0.0000879100000000 ] - [ -0.0018583500000000, -0.0013041000000000, 0.0026558000000000 ] - [ -0.0009370500000000, 0.0000222400000000, 0.0000607500000000 ] - [ -0.0018583500000000, 0.0013041000000000, 0.0026558000000000 ] - [ -0.0009370500000000, -0.0000222400000000, 0.0000607500000000 ] - [ 0.0039964100000000, 0.0020050500000000, 0.0001308600000000 ] - [ 0.0013926100000000, -0.0000778900000000, 0.0002640700000000 ] - [ 0.0039964100000000, -0.0020050500000000, 0.0001308600000000 ] - [ 0.0013926100000000, 0.0000778900000000, 0.0002640700000000 ] - [ 0.0014800100000000, 0.0000000000000000, -0.0000295900000000 ] - [ 0.0013745300000000, 0.0000000000000000, 0.0001161300000000 ] - [ -0.0014452900000000, 0.0000000000000000, -0.0010933800000000 ] - [ 0.0010948000000000, 0.0000000000000000, -0.0010997100000000 ] - [ -0.0012459100000000, -0.0000900000000000, -0.0004359100000000 ] - [ -0.0003060800000000, 0.0010554100000000, -0.0004398900000000 ] - [ -0.0012459100000000, 0.0000900000000000, -0.0004359100000000 ] - [ -0.0003060800000000, -0.0010554100000000, -0.0004398900000000 ] - [ 0.0004606100000000, 0.0000240800000000, -0.0019340100000000 ] - [ -0.0011109800000000, 0.0000303100000000, -0.0007637100000000 ] - [ 0.0004606100000000, -0.0000240800000000, -0.0019340100000000 ] - [ -0.0011109800000000, -0.0000303100000000, -0.0007637100000000 ] - [ -0.0004043100000000, 0.0000000000000000, -0.0007226100000000 ] - [ -0.0009244400000000, 0.0000000000000000, -0.0007164900000000 ] - [ -0.0014840400000000, 0.0000000000000000, -0.0002607700000000 ] - [ 0.0015345900000000, 0.0000000000000000, 0.0005628200000000 ] - [ -0.0000445000000000, 0.0005806400000000, -0.0005717800000000 ] - [ 0.0009687800000000, 0.0000483200000000, 0.0000707800000000 ] - [ -0.0000445000000000, -0.0005806400000000, -0.0005717800000000 ] - [ 0.0009687800000000, -0.0000483200000000, 0.0000707800000000 ] - [ -0.0039965200000000, 0.0040555200000000, -0.0060066500000000 ] - [ -0.0002978600000000, -0.0000068900000000, 0.0005639500000000 ] - [ -0.0039965200000000, -0.0040555200000000, -0.0060066500000000 ] - [ -0.0002978600000000, 0.0000068900000000, 0.0005639500000000 ] - [ -0.0011876100000000, 0.0000000000000000, -0.0000259500000000 ] - [ -0.0003215600000000, 0.0000000000000000, 0.0005646200000000 ] - [ 0.0398344300000000, 0.0000000000000000, -0.0332354800000000 ] - [ 0.0008387100000000, 0.0000000000000000, 0.0003989300000000 ] - [ -0.0011277800000000, 0.0019455500000000, 0.0019462800000000 ] - [ 0.0008342500000000, 0.0000082900000000, 0.0003976700000000 ] - [ -0.0011277800000000, -0.0019455500000000, 0.0019462800000000 ] - [ 0.0008342500000000, -0.0000082900000000, 0.0003976700000000 ] - [ -0.0014081600000000, -0.0014952100000000, -0.0060229900000000 ] - [ 0.0016573800000000, 0.0000172000000000, 0.0000440600000000 ] - [ -0.0014081600000000, 0.0014952100000000, -0.0060229900000000 ] - [ 0.0016573800000000, -0.0000172000000000, 0.0000440600000000 ] - [ 0.0007172500000000, 0.0000000000000000, -0.0007717300000000 ] - [ 0.0016212600000000, 0.0000000000000000, 0.0000757100000000 ] - [ -0.0007001800000000, -0.0012397100000000, -0.0013437100000000 ] - [ 0.0009874100000000, -0.0000478800000000, -0.0004282600000000 ] - [ -0.0007001800000000, 0.0012397100000000, -0.0013437100000000 ] - [ 0.0009874100000000, 0.0000478800000000, -0.0004282600000000 ] - [ 0.0004806300000000, 0.0000000000000000, -0.0004714200000000 ] - [ 0.0009359300000000, 0.0000000000000000, -0.0004031700000000 ] - [ 0.0009919600000000, 0.0000237700000000, 0.0006462400000000 ] - [ 0.0009126400000000, -0.0014343000000000, 0.0027491300000000 ] - [ 0.0009919600000000, -0.0000237700000000, 0.0006462400000000 ] - [ 0.0009126400000000, 0.0014343000000000, 0.0027491300000000 ] - [ 0.0009524000000000, 0.0000000000000000, 0.0005544100000000 ] - [ 0.0005003900000000, 0.0000000000000000, 0.0006997500000000 ] - [ -0.0011150200000000, 0.0000000000000000, -0.0042551500000000 ] - [ -0.0003717900000000, 0.0000000000000000, 0.0001507800000000 ] - [ -0.0006644700000000, -0.0001189000000000, -0.0000939600000000 ] - [ -0.0004299500000000, 0.0000385400000000, 0.0002002500000000 ] - [ -0.0006644700000000, 0.0001189000000000, -0.0000939600000000 ] - [ -0.0004299500000000, -0.0000385400000000, 0.0002002500000000 ] - [ -0.0048184100000000, 0.0000000000000000, -0.0010371000000000 ] - [ -0.0003533100000000, 0.0000000000000000, -0.0002951300000000 ] - [ -0.0021073900000000, -0.0016278200000000, -0.0009760500000000 ] - [ -0.0004050400000000, -0.0000539600000000, -0.0003201500000000 ] - [ -0.0021073900000000, 0.0016278200000000, -0.0009760500000000 ] - [ -0.0004050400000000, 0.0000539600000000, -0.0003201500000000 ] - [ 0.0051068600000000, 0.0000000000000000, 0.0099855700000000 ] - [ -0.0010020000000000, 0.0000000000000000, -0.0004067000000000 ] - [ -0.0002652900000000, -0.0006682600000000, 0.0009647400000000 ] - [ -0.0009391700000000, -0.0000174000000000, -0.0004375000000000 ] - [ -0.0002652900000000, 0.0006682600000000, 0.0009647400000000 ] - [ -0.0009391700000000, 0.0000174000000000, -0.0004375000000000 ] - [ 0.0032667000000000, -0.0012950200000000, -0.0079699000000000 ] - [ 0.0001282900000000, -0.0000082200000000, -0.0006246700000000 ] - [ 0.0032667000000000, 0.0012950200000000, -0.0079699000000000 ] - [ 0.0001282900000000, 0.0000082200000000, -0.0006246700000000 ] - [ 0.0007349400000000, 0.0000000000000000, -0.0012448100000000 ] - [ 0.0002046600000000, 0.0000000000000000, -0.0005865100000000 ] - [ -0.0017083100000000, 0.0000000000000000, -0.0005566800000000 ] - [ -0.0007606700000000, 0.0000000000000000, -0.0015302800000000 ] - [ -0.0009786000000000, 0.0004050500000000, -0.0000091500000000 ] - [ -0.0001629700000000, -0.0002883600000000, -0.0001147700000000 ] - [ -0.0009786000000000, -0.0004050500000000, -0.0000091500000000 ] - [ -0.0001629700000000, 0.0002883600000000, -0.0001147700000000 ] - [ 0.0008583600000000, -0.0002577500000000, 0.0018266600000000 ] - [ 0.0000435200000000, 0.0003064900000000, 0.0010581600000000 ] - [ 0.0008583600000000, 0.0002577500000000, 0.0018266600000000 ] - [ 0.0000435200000000, -0.0003064900000000, 0.0010581600000000 ] - [ 0.0005738500000000, 0.0000000000000000, 0.0008802400000000 ] - [ 0.0003173000000000, 0.0000000000000000, 0.0008224100000000 ] - [ 0.0025381800000000, 0.0000000000000000, -0.0081481600000000 ] - [ -0.0008492600000000, 0.0000000000000000, 0.0006512900000000 ] - [ -0.0007827200000000, 0.0017880000000000, 0.0007251900000000 ] - [ -0.0008193500000000, -0.0000149200000000, 0.0006547500000000 ] - [ -0.0007827200000000, -0.0017880000000000, 0.0007251900000000 ] - [ -0.0008193500000000, 0.0000149200000000, 0.0006547500000000 ] - [ 0.0013289300000000, 0.0003948200000000, -0.0060536800000000 ] - [ 0.0000352200000000, 0.0001821400000000, -0.0009065900000000 ] - [ 0.0013289300000000, -0.0003948200000000, -0.0060536800000000 ] - [ 0.0000352200000000, -0.0001821400000000, -0.0009065900000000 ] - [ 0.0007066400000000, 0.0000000000000000, -0.0011149800000000 ] - [ 0.0001895500000000, 0.0000000000000000, -0.0008376700000000 ] - [ -0.0012339200000000, 0.0000000000000000, -0.0001719000000000 ] - [ 0.0004441400000000, 0.0000000000000000, 0.0017707000000000 ] - [ -0.0010599400000000, 0.0002355800000000, -0.0003593000000000 ] - [ 0.0002041200000000, 0.0000236200000000, 0.0003003800000000 ] - [ -0.0010599400000000, -0.0002355800000000, -0.0003593000000000 ] - [ 0.0002041200000000, -0.0000236200000000, 0.0003003800000000 ] - [ -0.0033915900000000, 0.0072244900000000, 0.0037678100000000 ] - [ 0.0004214400000000, 0.0000789800000000, 0.0006461500000000 ] - [ -0.0033915900000000, -0.0072244900000000, 0.0037678100000000 ] - [ 0.0004214400000000, -0.0000789800000000, 0.0006461500000000 ] - [ 0.0009702500000000, 0.0000000000000000, 0.0008097400000000 ] - [ 0.0003845800000000, 0.0000000000000000, 0.0006419000000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000126200000000, 0.0001853400000000, 0.0009914600000000 ] - [ 0.0005717900000000, -0.0000863200000000, -0.0000579000000000 ] - [ 0.0004050600000000, 0.0000000000000000, 0.0002064100000000 ] - [ 0.0005617400000000, 0.0000000000000000, -0.0000293600000000 ] - [ -0.0000126200000000, -0.0001853400000000, 0.0009914600000000 ] - [ 0.0005717900000000, 0.0000863200000000, -0.0000579000000000 ] - [ 0.2096435900000000, 0.0000000000000000, -0.2041484200000000 ] - [ -0.0009767200000000, 0.0000000000000000, 0.0007837000000000 ] - [ 0.0011469100000000, 0.0000573400000000, -0.0025924000000000 ] - [ -0.0009220600000000, -0.0000035900000000, 0.0006983400000000 ] - [ 0.0011469100000000, -0.0000573400000000, -0.0025924000000000 ] - [ -0.0009220600000000, 0.0000035900000000, 0.0006983400000000 ] - [ 0.0024272900000000, 0.0001356200000000, 0.0022686500000000 ] - [ 0.0001095300000000, 0.0000034400000000, -0.0007556700000000 ] - [ 0.0010829600000000, 0.0000000000000000, 0.0009186900000000 ] - [ 0.0001488900000000, 0.0000000000000000, -0.0006883800000000 ] - [ 0.0024272900000000, -0.0001356200000000, 0.0022686500000000 ] - [ 0.0001095300000000, -0.0000034400000000, -0.0007556700000000 ] - [ -0.0013243500000000, 0.0000000000000000, -0.0013612400000000 ] - [ -0.0025228700000000, 0.0000000000000000, -0.0028863600000000 ] - [ -0.0009536700000000, 0.0001740600000000, -0.0007018900000000 ] - [ -0.0011907000000000, -0.0002757700000000, -0.0012658600000000 ] - [ -0.0009536700000000, -0.0001740600000000, -0.0007018900000000 ] - [ -0.0011907000000000, 0.0002757700000000, -0.0012658600000000 ] - [ 0.0001210700000000, 0.0009918200000000, -0.0009797600000000 ] - [ -0.0005384300000000, -0.0002734800000000, 0.0005889200000000 ] - [ -0.0012970000000000, 0.0000000000000000, -0.0001156300000000 ] - [ -0.0008046900000000, 0.0000000000000000, 0.0004038700000000 ] - [ 0.0001210700000000, -0.0009918200000000, -0.0009797600000000 ] - [ -0.0005384300000000, 0.0002734800000000, 0.0005889200000000 ] - [ 0.0117259400000000, 0.0000000000000000, -0.0392248000000000 ] - [ 0.0024181100000000, 0.0000000000000000, -0.0003170800000000 ] - [ -0.0005868100000000, 0.0014635800000000, 0.0016455000000000 ] - [ 0.0022732500000000, -0.0000690300000000, -0.0003122000000000 ] - [ -0.0005868100000000, -0.0014635800000000, 0.0016455000000000 ] - [ 0.0022732500000000, 0.0000690300000000, -0.0003122000000000 ] - [ -0.0054011600000000, -0.0000283400000000, -0.0034832000000000 ] - [ -0.0002313600000000, 0.0000535600000000, 0.0002223400000000 ] - [ -0.0026147600000000, 0.0000000000000000, -0.0006691600000000 ] - [ -0.0003519700000000, 0.0000000000000000, 0.0001992800000000 ] - [ -0.0054011600000000, 0.0000283400000000, -0.0034832000000000 ] - [ -0.0002313600000000, -0.0000535600000000, 0.0002223400000000 ] - [ -0.2577296500000000, 0.0000000000000000, 0.2364123100000000 ] - [ 0.0004643300000000, 0.0000000000000000, -0.0008649600000000 ] - [ -0.0041231300000000, -0.0014362700000000, 0.0008204600000000 ] - [ 0.0003407300000000, 0.0000323000000000, -0.0008276200000000 ] - [ -0.0041231300000000, 0.0014362700000000, 0.0008204600000000 ] - [ 0.0003407300000000, -0.0000323000000000, -0.0008276200000000 ] - [ -0.0020002100000000, 0.0018732700000000, -0.0029291800000000 ] - [ 0.0014880100000000, -0.0000268400000000, -0.0001354200000000 ] - [ -0.0003986300000000, 0.0000000000000000, -0.0010114300000000 ] - [ 0.0013952500000000, 0.0000000000000000, -0.0001661200000000 ] - [ -0.0020002100000000, -0.0018732700000000, -0.0029291800000000 ] - [ 0.0014880100000000, 0.0000268400000000, -0.0001354200000000 ] - [ 0.0016476400000000, 0.0000000000000000, 0.0013200600000000 ] - [ 0.0016466500000000, 0.0000000000000000, 0.0020918300000000 ] - [ 0.0002769600000000, 0.0009557000000000, 0.0008570300000000 ] - [ 0.0002782200000000, -0.0002062100000000, 0.0012360500000000 ] - [ 0.0002769600000000, -0.0009557000000000, 0.0008570300000000 ] - [ 0.0002782200000000, 0.0002062100000000, 0.0012360500000000 ] - [ 0.0017483400000000, 0.0001403000000000, -0.0001423200000000 ] - [ 0.0000969300000000, -0.0002185700000000, 0.0001777100000000 ] - [ 0.0009783500000000, 0.0000000000000000, 0.0004286800000000 ] - [ 0.0001285400000000, 0.0000000000000000, 0.0002136400000000 ] - [ 0.0017483400000000, -0.0001403000000000, -0.0001423200000000 ] - [ 0.0000969300000000, 0.0002185700000000, 0.0001777100000000 ] - [ 0.0027350200000000, 0.0000000000000000, 0.0010112100000000 ] - [ 0.0059427800000000, 0.0000000000000000, -0.0020041400000000 ] - [ 0.0021594900000000, 0.0001279400000000, 0.0004457300000000 ] - [ 0.0029962400000000, -0.0021864900000000, -0.0005702700000000 ] - [ 0.0021594900000000, -0.0001279400000000, 0.0004457300000000 ] - [ 0.0029962400000000, 0.0021864900000000, -0.0005702700000000 ] - [ 0.0020508000000000, 0.0000000000000000, -0.0004797300000000 ] - [ 0.0015386900000000, 0.0000000000000000, -0.0007725200000000 ] - [ 0.0004800900000000, 0.0003985300000000, -0.0002338800000000 ] - [ 0.0013768100000000, -0.0001332200000000, -0.0006600700000000 ] - [ 0.0004800900000000, -0.0003985300000000, -0.0002338800000000 ] - [ 0.0013768100000000, 0.0001332200000000, -0.0006600700000000 ] - [ -0.0017398100000000, 0.0000000000000000, 0.0011666100000000 ] - [ 0.0014456800000000, 0.0000000000000000, 0.0004828500000000 ] - [ -0.0005757500000000, 0.0004297900000000, 0.0002443800000000 ] - [ 0.0013044600000000, 0.0000657300000000, 0.0004516000000000 ] - [ -0.0005757500000000, -0.0004297900000000, 0.0002443800000000 ] - [ 0.0013044600000000, -0.0000657300000000, 0.0004516000000000 ] - [ 0.0002426200000000, 0.0022221000000000, 0.0016093000000000 ] - [ 0.0001007300000000, -0.0001185000000000, 0.0002394100000000 ] - [ -0.0011764700000000, 0.0000000000000000, 0.0003299400000000 ] - [ -0.0000605900000000, 0.0000000000000000, 0.0002972000000000 ] - [ 0.0002426200000000, -0.0022221000000000, 0.0016093000000000 ] - [ 0.0001007300000000, 0.0001185000000000, 0.0002394100000000 ] - [ 0.0000096500000000, 0.0001367900000000, -0.0003015500000000 ] - [ 0.0008381800000000, -0.0033785300000000, 0.0030382900000000 ] - [ -0.0000886800000000, 0.0000000000000000, -0.0003335000000000 ] - [ -0.0013750900000000, 0.0000000000000000, -0.0002360600000000 ] - [ 0.0000096500000000, -0.0001367900000000, -0.0003015500000000 ] - [ 0.0008381800000000, 0.0033785300000000, 0.0030382900000000 ] - [ -0.0015257500000000, -0.0008389400000000, -0.0007760700000000 ] - [ -0.0018699100000000, 0.0007598200000000, 0.0004069700000000 ] - [ -0.0005359100000000, 0.0000000000000000, -0.0006421100000000 ] - [ -0.0011582300000000, 0.0000000000000000, -0.0000214500000000 ] - [ -0.0015257500000000, 0.0008389400000000, -0.0007760700000000 ] - [ -0.0018699100000000, -0.0007598200000000, 0.0004069700000000 ] - [ -0.0010202700000000, 0.0000000000000000, -0.0003597300000000 ] - [ -0.0019377700000000, 0.0000000000000000, -0.0038654400000000 ] - [ -0.0002299500000000, -0.0004367400000000, -0.0005055500000000 ] - [ 0.0006064700000000, 0.0011383700000000, -0.0013485700000000 ] - [ -0.0002299500000000, 0.0004367400000000, -0.0005055500000000 ] - [ 0.0006064700000000, -0.0011383700000000, -0.0013485700000000 ] - [ 0.0072803800000000, -0.0029280500000000, -0.0011838400000000 ] - [ -0.0015985300000000, -0.0000286900000000, 0.0004190700000000 ] - [ 0.0006246900000000, 0.0000000000000000, 0.0002969200000000 ] - [ -0.0014504500000000, 0.0000000000000000, 0.0004498200000000 ] - [ 0.0072803800000000, 0.0029280500000000, -0.0011838400000000 ] - [ -0.0015985300000000, 0.0000286900000000, 0.0004190700000000 ] - [ 0.0114291900000000, 0.0000000000000000, 0.0092192400000000 ] - [ -0.0006559200000000, 0.0000000000000000, 0.0006633700000000 ] - [ 0.0023093100000000, -0.0010723000000000, 0.0006088600000000 ] - [ -0.0004450500000000, 0.0000451300000000, 0.0006120300000000 ] - [ 0.0023093100000000, 0.0010723000000000, 0.0006088600000000 ] - [ -0.0004450500000000, -0.0000451300000000, 0.0006120300000000 ] - [ -0.0048199900000000, -0.0053561200000000, 0.0001145500000000 ] - [ -0.0020773400000000, 0.0004574800000000, 0.0002618500000000 ] - [ 0.0001191100000000, 0.0000000000000000, 0.0006616500000000 ] - [ -0.0016309500000000, 0.0000000000000000, 0.0003621500000000 ] - [ -0.0048199900000000, 0.0053561200000000, 0.0001145500000000 ] - [ -0.0020773400000000, -0.0004574800000000, 0.0002618500000000 ] - [ -0.0023500600000000, 0.0000000000000000, 0.0055334700000000 ] - [ -0.0004841600000000, 0.0000000000000000, -0.0006598500000000 ] - [ 0.0010984400000000, -0.0010191100000000, -0.0005124900000000 ] - [ -0.0003359400000000, 0.0001031400000000, -0.0006484500000000 ] - [ 0.0010984400000000, 0.0010191100000000, -0.0005124900000000 ] - [ -0.0003359400000000, -0.0001031400000000, -0.0006484500000000 ] - [ 0.0105356600000000, -0.0046388100000000, -0.0009044500000000 ] - [ -0.0019045100000000, -0.0001851700000000, -0.0006184000000000 ] - [ 0.0010666900000000, 0.0000000000000000, -0.0006532300000000 ] - [ -0.0017071600000000, 0.0000000000000000, -0.0006432700000000 ] - [ 0.0105356600000000, 0.0046388100000000, -0.0009044500000000 ] - [ -0.0019045100000000, 0.0001851700000000, -0.0006184000000000 ] - [ -0.0008128600000000, 0.0000000000000000, 0.0005739200000000 ] - [ 0.0023082700000000, 0.0000000000000000, 0.0028026500000000 ] - [ -0.0005000900000000, -0.0002653500000000, 0.0006569900000000 ] - [ 0.0019739500000000, 0.0002596100000000, 0.0014937500000000 ] - [ -0.0005000900000000, 0.0002653500000000, 0.0006569900000000 ] - [ 0.0019739500000000, -0.0002596100000000, 0.0014937500000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010365900000000, -0.0001864700000000, -0.0009199600000000 ] - [ 0.0004510200000000, 0.0000865800000000, 0.0001323600000000 ] - [ 0.0006186100000000, 0.0000000000000000, -0.0001335300000000 ] - [ 0.0004615200000000, 0.0000000000000000, 0.0001028700000000 ] - [ 0.0010365900000000, 0.0001864700000000, -0.0009199600000000 ] - [ 0.0004510200000000, -0.0000865800000000, 0.0001323600000000 ] - [ -0.2059693900000000, 0.0000000000000000, 0.1942394500000000 ] - [ -0.0000464000000000, 0.0000000000000000, -0.0008578700000000 ] - [ -0.0021613100000000, -0.0000590700000000, 0.0025095100000000 ] - [ -0.0001002600000000, 0.0000036100000000, -0.0007740000000000 ] - [ -0.0021613100000000, 0.0000590700000000, 0.0025095100000000 ] - [ -0.0001002600000000, -0.0000036100000000, -0.0007740000000000 ] - [ -0.0014042500000000, -0.0001378000000000, -0.0023469000000000 ] - [ 0.0009139700000000, -0.0000034400000000, 0.0006828300000000 ] - [ -0.0000597600000000, 0.0000000000000000, -0.0009922500000000 ] - [ 0.0008745900000000, 0.0000000000000000, 0.0006152200000000 ] - [ -0.0014042500000000, 0.0001378000000000, -0.0023469000000000 ] - [ 0.0009139700000000, 0.0000034400000000, 0.0006828300000000 ] - [ 0.0003010200000000, 0.0000000000000000, 0.0014354400000000 ] - [ 0.0015046300000000, 0.0000000000000000, 0.0029547800000000 ] - [ -0.0000680900000000, -0.0001743100000000, 0.0007784100000000 ] - [ 0.0001667400000000, 0.0002753700000000, 0.0013379100000000 ] - [ -0.0000680900000000, 0.0001743100000000, 0.0007784100000000 ] - [ 0.0001667400000000, -0.0002753700000000, 0.0013379100000000 ] - [ -0.0026763800000000, -0.0009931400000000, 0.0011200900000000 ] - [ -0.0020138000000000, 0.0002742900000000, -0.0004556400000000 ] - [ -0.0012571700000000, 0.0000000000000000, 0.0002534700000000 ] - [ -0.0017489400000000, 0.0000000000000000, -0.0002676800000000 ] - [ -0.0026763800000000, 0.0009931400000000, 0.0011200900000000 ] - [ -0.0020138000000000, -0.0002742900000000, -0.0004556400000000 ] - [ -0.0093762900000000, 0.0000000000000000, 0.0388118300000000 ] - [ 0.0001338100000000, 0.0000000000000000, 0.0001801400000000 ] - [ 0.0031361700000000, -0.0014636100000000, -0.0017759200000000 ] - [ 0.0002763400000000, 0.0000693400000000, 0.0001787800000000 ] - [ 0.0031361700000000, 0.0014636100000000, -0.0017759200000000 ] - [ 0.0002763400000000, -0.0000693400000000, 0.0001787800000000 ] - [ 0.0028496800000000, 0.0000339600000000, 0.0033410300000000 ] - [ -0.0023228700000000, -0.0000536800000000, -0.0003585100000000 ] - [ 0.0000621000000000, 0.0000000000000000, 0.0005299500000000 ] - [ -0.0022003900000000, 0.0000000000000000, -0.0003333600000000 ] - [ 0.0028496800000000, -0.0000339600000000, 0.0033410300000000 ] - [ -0.0023228700000000, 0.0000536800000000, -0.0003585100000000 ] - [ 0.2524143300000000, 0.0000000000000000, -0.2278389400000000 ] - [ -0.0016424000000000, 0.0000000000000000, -0.0000856000000000 ] - [ 0.0029487300000000, 0.0014214200000000, -0.0017723300000000 ] - [ -0.0015168800000000, -0.0000324000000000, -0.0001250400000000 ] - [ 0.0029487300000000, -0.0014214200000000, -0.0017723300000000 ] - [ -0.0015168800000000, 0.0000324000000000, -0.0001250400000000 ] - [ 0.0031762300000000, -0.0018693000000000, 0.0019833700000000 ] - [ -0.0003139200000000, 0.0000269200000000, -0.0008171800000000 ] - [ 0.0015752100000000, 0.0000000000000000, 0.0000620000000000 ] - [ -0.0002217300000000, 0.0000000000000000, -0.0007874200000000 ] - [ 0.0031762300000000, 0.0018693000000000, 0.0019833700000000 ] - [ -0.0003139200000000, -0.0000269200000000, -0.0008171800000000 ] - [ -0.0028285500000000, 0.0000000000000000, -0.0003750900000000 ] - [ -0.0028285100000000, 0.0000000000000000, -0.0011397600000000 ] - [ -0.0014559700000000, -0.0009580200000000, 0.0000931000000000 ] - [ -0.0014543800000000, 0.0002071100000000, -0.0002839600000000 ] - [ -0.0014559700000000, 0.0009580200000000, 0.0000931000000000 ] - [ -0.0014543800000000, -0.0002071100000000, -0.0002839600000000 ] - [ -0.0005734000000000, -0.0001398300000000, 0.0010960300000000 ] - [ 0.0010775900000000, 0.0002194900000000, 0.0007761000000000 ] - [ 0.0001963500000000, 0.0000000000000000, 0.0005236800000000 ] - [ 0.0010477100000000, 0.0000000000000000, 0.0007379900000000 ] - [ -0.0005734000000000, 0.0001398300000000, 0.0010960300000000 ] - [ 0.0010775900000000, -0.0002194900000000, 0.0007761000000000 ] - [ -0.0001820800000000, 0.0000000000000000, -0.0008752300000000 ] - [ -0.0033988500000000, 0.0000000000000000, 0.0021532800000000 ] - [ 0.0003900100000000, -0.0001277200000000, -0.0003132900000000 ] - [ -0.0004458400000000, 0.0021903800000000, 0.0007077700000000 ] - [ 0.0003900100000000, 0.0001277200000000, -0.0003132900000000 ] - [ -0.0004458400000000, -0.0021903800000000, 0.0007077700000000 ] - [ -0.0006578500000000, 0.0000000000000000, -0.0002571100000000 ] - [ -0.0001530800000000, 0.0000000000000000, 0.0000332800000000 ] - [ 0.0009066900000000, -0.0003976300000000, -0.0005053900000000 ] - [ 0.0000092700000000, 0.0001335700000000, -0.0000794600000000 ] - [ 0.0009066900000000, 0.0003976300000000, -0.0005053900000000 ] - [ 0.0000092700000000, -0.0001335700000000, -0.0000794600000000 ] - [ 0.0031258100000000, 0.0000000000000000, -0.0004255100000000 ] - [ -0.0000605400000000, 0.0000000000000000, 0.0002573600000000 ] - [ 0.0019628900000000, -0.0004278500000000, 0.0004959700000000 ] - [ 0.0000808100000000, -0.0000658900000000, 0.0002881800000000 ] - [ 0.0019628900000000, 0.0004278500000000, 0.0004959700000000 ] - [ 0.0000808100000000, 0.0000658900000000, 0.0002881800000000 ] - [ -0.0016244000000000, -0.0022074000000000, -0.0008638400000000 ] - [ -0.0014890400000000, 0.0001189000000000, 0.0005008100000000 ] - [ -0.0002115800000000, 0.0000000000000000, 0.0004085100000000 ] - [ -0.0013272500000000, 0.0000000000000000, 0.0004425700000000 ] - [ -0.0016244000000000, 0.0022074000000000, -0.0008638400000000 ] - [ -0.0014890400000000, -0.0001189000000000, 0.0005008100000000 ] - [ -0.0013969500000000, -0.0001368400000000, -0.0004384800000000 ] - [ -0.0022250200000000, 0.0033943700000000, -0.0037904300000000 ] - [ -0.0012986600000000, 0.0000000000000000, -0.0004060400000000 ] - [ -0.0000084600000000, 0.0000000000000000, -0.0005025200000000 ] - [ -0.0013969500000000, 0.0001368400000000, -0.0004384800000000 ] - [ -0.0022250200000000, -0.0033943700000000, -0.0037904300000000 ] - [ 0.0003781900000000, 0.0008361600000000, -0.0002493600000000 ] - [ 0.0007294500000000, -0.0007617400000000, -0.0014334100000000 ] - [ -0.0006076900000000, 0.0000000000000000, -0.0003825100000000 ] - [ 0.0000149900000000, 0.0000000000000000, -0.0010041100000000 ] - [ 0.0003781900000000, -0.0008361600000000, -0.0002493600000000 ] - [ 0.0007294500000000, 0.0007617400000000, -0.0014334100000000 ] - [ 0.0021659400000000, 0.0000000000000000, -0.0006663700000000 ] - [ 0.0030874300000000, 0.0000000000000000, 0.0028519300000000 ] - [ 0.0013743000000000, 0.0004374100000000, -0.0005200800000000 ] - [ 0.0005356100000000, -0.0011402800000000, 0.0003237400000000 ] - [ 0.0013743000000000, -0.0004374100000000, -0.0005200800000000 ] - [ 0.0005356100000000, 0.0011402800000000, 0.0003237400000000 ] - [ -0.0084329300000000, 0.0029546600000000, 0.0021650200000000 ] - [ 0.0004566400000000, 0.0000283000000000, 0.0006067700000000 ] - [ -0.0017711100000000, 0.0000000000000000, 0.0007238400000000 ] - [ 0.0003084300000000, 0.0000000000000000, 0.0005755000000000 ] - [ -0.0084329300000000, -0.0029546600000000, 0.0021650200000000 ] - [ 0.0004566400000000, -0.0000283000000000, 0.0006067700000000 ] - [ -0.0101549800000000, 0.0000000000000000, -0.0078317500000000 ] - [ 0.0018003400000000, 0.0000000000000000, 0.0003621500000000 ] - [ -0.0011636900000000, 0.0010706300000000, 0.0004219500000000 ] - [ 0.0015893400000000, -0.0000456400000000, 0.0004132300000000 ] - [ -0.0011636900000000, -0.0010706300000000, 0.0004219500000000 ] - [ 0.0015893400000000, 0.0000456400000000, 0.0004132300000000 ] - [ 0.0036661800000000, 0.0053527600000000, 0.0012056700000000 ] - [ 0.0009343800000000, -0.0004588000000000, 0.0010420400000000 ] - [ -0.0012607200000000, 0.0000000000000000, 0.0006417400000000 ] - [ 0.0004874000000000, 0.0000000000000000, 0.0009414300000000 ] - [ 0.0036661800000000, -0.0053527600000000, 0.0012056700000000 ] - [ 0.0009343800000000, 0.0004588000000000, 0.0010420400000000 ] - [ 0.0034946500000000, 0.0000000000000000, -0.0068533400000000 ] - [ 0.0016299400000000, 0.0000000000000000, -0.0006429500000000 ] - [ 0.0000456200000000, 0.0010175300000000, -0.0007928800000000 ] - [ 0.0014813200000000, -0.0001029500000000, -0.0006549100000000 ] - [ 0.0000456200000000, -0.0010175300000000, -0.0007928800000000 ] - [ 0.0014813200000000, 0.0001029500000000, -0.0006549100000000 ] - [ -0.0118976900000000, 0.0050312100000000, -0.0002461700000000 ] - [ 0.0007614800000000, 0.0001848200000000, -0.0006843500000000 ] - [ -0.0022186000000000, 0.0000000000000000, -0.0006459900000000 ] - [ 0.0005641000000000, 0.0000000000000000, -0.0006603400000000 ] - [ -0.0118976900000000, -0.0050312100000000, -0.0002461700000000 ] - [ 0.0007614800000000, -0.0001848200000000, -0.0006843500000000 ] - [ 0.0019582600000000, 0.0000000000000000, 0.0007289000000000 ] - [ -0.0011623200000000, 0.0000000000000000, -0.0015086200000000 ] - [ 0.0016458900000000, 0.0002648100000000, 0.0006466100000000 ] - [ -0.0008310200000000, -0.0002620700000000, -0.0001925100000000 ] - [ 0.0016458900000000, -0.0002648100000000, 0.0006466100000000 ] - [ -0.0008310200000000, 0.0002620700000000, -0.0001925100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004832700000000, -0.0000670300000000, 0.0000237800000000 ] - [ 0.0005617100000000, -0.0000751000000000, -0.0000557700000000 ] - [ 0.0005119300000000, 0.0000573300000000, 0.0000365800000000 ] - [ 0.0005124800000000, 0.0001622400000000, 0.0000357600000000 ] - [ 0.0005454500000000, -0.0000641600000000, 0.0000394800000000 ] - [ 0.0004614600000000, -0.0000749000000000, 0.0001299100000000 ] - [ -0.0014275200000000, 0.0353979800000000, 0.0010569100000000 ] - [ -0.0005107000000000, -0.0000226300000000, -0.0000388400000000 ] - [ -0.0029147200000000, 0.0002801900000000, 0.0030120100000000 ] - [ -0.0004854100000000, 0.0000111700000000, -0.0000722600000000 ] - [ 0.0018645800000000, 0.0002843500000000, -0.0030507400000000 ] - [ -0.0005347200000000, 0.0000112900000000, -0.0000072000000000 ] - [ -0.0008876600000000, 0.0000465400000000, -0.0011583300000000 ] - [ 0.0005145700000000, -0.0000089000000000, -0.0000271800000000 ] - [ 0.0005093500000000, 0.0002244400000000, -0.0000402500000000 ] - [ 0.0005123800000000, 0.0000176700000000, -0.0000354300000000 ] - [ 0.0018928100000000, 0.0000521000000000, 0.0010644800000000 ] - [ 0.0005116100000000, -0.0000087400000000, -0.0000414400000000 ] - [ -0.0005097300000000, -0.0000664100000000, 0.0000406700000000 ] - [ -0.0005082800000000, -0.0002969300000000, 0.0000400800000000 ] - [ -0.0005658500000000, 0.0000086000000000, -0.0000597400000000 ] - [ 0.0004062300000000, 0.0004220000000000, 0.0017647100000000 ] - [ -0.0004543900000000, 0.0000108600000000, 0.0001387100000000 ] - [ -0.0014207900000000, 0.0004195200000000, -0.0016767000000000 ] - [ -0.0012128400000000, -0.0002263900000000, 0.0000467300000000 ] - [ -0.0015450200000000, -0.0001707000000000, 0.0000371000000000 ] - [ -0.0012751400000000, 0.0003285900000000, 0.0000688700000000 ] - [ -0.0012789900000000, 0.0003395800000000, 0.0000682500000000 ] - [ -0.0013547100000000, -0.0002141300000000, 0.0001003900000000 ] - [ -0.0010103700000000, -0.0001703300000000, 0.0000959000000000 ] - [ 0.0011847800000000, -0.0191932400000000, 0.0000455700000000 ] - [ 0.0012733300000000, -0.0001260300000000, -0.0000680300000000 ] - [ 0.0029470700000000, 0.0001031300000000, -0.0020213600000000 ] - [ 0.0011979600000000, 0.0000620800000000, -0.0000760000000000 ] - [ -0.0003715000000000, 0.0001192500000000, 0.0018607600000000 ] - [ 0.0013466200000000, 0.0000623100000000, -0.0000576400000000 ] - [ -0.0006270300000000, 0.0000778100000000, 0.0040152200000000 ] - [ -0.0012810600000000, -0.0000251100000000, -0.0000746300000000 ] - [ -0.0012733500000000, 0.0010849900000000, -0.0000644400000000 ] - [ -0.0012781400000000, 0.0000496200000000, -0.0000676700000000 ] - [ -0.0019040300000000, 0.0000840000000000, -0.0041184900000000 ] - [ -0.0012789500000000, -0.0000241800000000, -0.0000642700000000 ] - [ 0.0009484000000000, -0.0530631700000000, -0.0018816200000000 ] - [ -0.0005916100000000, -0.0000345600000000, -0.0004741300000000 ] - [ 0.0008526800000000, 0.0056759400000000, -0.0016658900000000 ] - [ -0.0006237600000000, 0.0000170300000000, -0.0004573300000000 ] - [ -0.0020068800000000, 0.0056310800000000, 0.0007014900000000 ] - [ -0.0005581800000000, 0.0000176900000000, -0.0004922100000000 ] - [ 0.0024717500000000, -0.0005824600000000, 0.0004522600000000 ] - [ 0.0005575600000000, -0.0000318000000000, -0.0004767400000000 ] - [ 0.0005933300000000, 0.0005747600000000, -0.0004731700000000 ] - [ 0.0005851100000000, 0.0000633900000000, -0.0004769800000000 ] - [ -0.0012708000000000, -0.0005641300000000, -0.0013771700000000 ] - [ 0.0006130700000000, -0.0000316000000000, -0.0004763500000000 ] - [ -0.0005977800000000, -0.0004078400000000, 0.0004689800000000 ] - [ -0.0005919600000000, -0.0004077100000000, 0.0004723400000000 ] - [ -0.0003846200000000, 0.0000859800000000, 0.0004337600000000 ] - [ -0.0015500100000000, 0.0000909500000000, -0.0004472400000000 ] - [ -0.0007968300000000, 0.0000969700000000, 0.0005135000000000 ] - [ 0.0003637300000000, 0.0000918800000000, 0.0013881200000000 ] - [ 0.0007234700000000, -0.0000199500000000, 0.0005699400000000 ] - [ 0.0003702000000000, -0.0002789900000000, 0.0005471300000000 ] - [ 0.0005879600000000, 0.0000741900000000, 0.0004751900000000 ] - [ 0.0005890300000000, 0.0005882500000000, 0.0004769200000000 ] - [ 0.0004446000000000, -0.0000188600000000, 0.0003885600000000 ] - [ 0.0008073300000000, -0.0002778200000000, 0.0004075000000000 ] - [ 0.0012724400000000, -0.0001327900000000, 0.0000657400000000 ] - [ 0.0012735400000000, -0.0029992300000000, 0.0000692300000000 ] - [ 0.0013770500000000, 0.0000765200000000, 0.0001155900000000 ] - [ -0.0014017600000000, 0.0028743300000000, 0.0006570500000000 ] - [ 0.0011694000000000, 0.0000774700000000, 0.0000166300000000 ] - [ 0.0039333400000000, 0.0028521300000000, -0.0005134600000000 ] - [ 0.0006864600000000, -0.0004240000000000, -0.0003676900000000 ] - [ 0.0006914200000000, -0.0002176000000000, -0.0003689900000000 ] - [ 0.0010634300000000, 0.0002742900000000, -0.0002952600000000 ] - [ 0.0006020100000000, 0.0001323000000000, -0.0003102600000000 ] - [ 0.0003280500000000, 0.0002771500000000, -0.0004437300000000 ] - [ 0.0007802800000000, 0.0001332000000000, -0.0004272200000000 ] - [ 0.0007016400000000, -0.0011522200000000, 0.0003721800000000 ] - [ 0.0006906200000000, -0.0000437400000000, 0.0003695900000000 ] - [ 0.0006765900000000, 0.0004613500000000, 0.0001822600000000 ] - [ 0.0007123000000000, 0.0000206200000000, 0.0003742800000000 ] - [ 0.0007168100000000, 0.0004682200000000, 0.0005584300000000 ] - [ 0.0006703700000000, 0.0000215400000000, 0.0003648300000000 ] - [ 0.0014779600000000, 0.0003691900000000, 0.0015983600000000 ] - [ -0.0008073300000000, -0.0000843000000000, 0.0004040500000000 ] - [ -0.0006898900000000, 0.0008384200000000, 0.0003705100000000 ] - [ -0.0006963300000000, 0.0001667500000000, 0.0003699700000000 ] - [ -0.0028460200000000, 0.0003772200000000, -0.0008530900000000 ] - [ -0.0005848000000000, -0.0000839400000000, 0.0003362600000000 ] - [ -0.0006882300000000, -0.0000299600000000, -0.0003676700000000 ] - [ -0.0032038500000000, 0.0006521100000000, -0.0028436000000000 ] - [ -0.0006952500000000, 0.0000553600000000, -0.0003698200000000 ] - [ -0.0006934700000000, 0.0008544800000000, -0.0003718700000000 ] - [ -0.0007030900000000, -0.0000284800000000, -0.0003727800000000 ] - [ 0.0018081000000000, 0.0006539600000000, 0.0020819000000000 ] - [ -0.0012697700000000, 0.0002246300000000, -0.0007327200000000 ] - [ 0.0000801500000000, 0.0005273700000000, -0.0008001800000000 ] - [ -0.0005736300000000, -0.0004460900000000, -0.0005126400000000 ] - [ -0.0005677800000000, -0.0010210600000000, -0.0005155100000000 ] - [ 0.0001272800000000, 0.0002172500000000, -0.0002951500000000 ] - [ -0.0012122000000000, 0.0005252300000000, -0.0002322500000000 ] - [ 0.0005783600000000, 0.0001390000000000, -0.0005136600000000 ] - [ 0.0005687600000000, 0.0021942600000000, -0.0005101300000000 ] - [ 0.0004752900000000, -0.0000677800000000, -0.0004910800000000 ] - [ 0.0013060900000000, -0.0010247000000000, 0.0001360800000000 ] - [ 0.0006719300000000, -0.0000729100000000, -0.0005349400000000 ] - [ -0.0001624800000000, -0.0010233900000000, -0.0011549500000000 ] - [ -0.0013478500000000, -0.0009685500000000, 0.0062195000000000 ] - [ -0.0005584500000000, 0.0000364400000000, 0.0005104300000000 ] - [ -0.0005736100000000, -0.0019397300000000, 0.0005177200000000 ] - [ -0.0005683200000000, -0.0000725100000000, 0.0005131800000000 ] - [ 0.0001498100000000, -0.0010324500000000, -0.0051765800000000 ] - [ -0.0005773700000000, 0.0000358400000000, 0.0005164200000000 ] - [ 0.0005522300000000, 0.0068456100000000, 0.0004886800000000 ] - [ 0.0005746400000000, 0.0001178300000000, 0.0005128300000000 ] - [ -0.0004958200000000, -0.0022116600000000, -0.0010137700000000 ] - [ 0.0006774900000000, -0.0000587900000000, 0.0004783600000000 ] - [ 0.0016212200000000, -0.0022091500000000, 0.0020230000000000 ] - [ 0.0004723000000000, -0.0000591600000000, 0.0005469600000000 ] - [ -0.0030111400000000, 0.0000748500000000, 0.0019832500000000 ] - [ -0.0002395400000000, 0.0003208200000000, 0.0006900500000000 ] - [ -0.0005788400000000, -0.0011734700000000, 0.0006529100000000 ] - [ -0.0005675000000000, -0.0006362100000000, 0.0006538300000000 ] - [ 0.0018804600000000, 0.0000219400000000, -0.0006484100000000 ] - [ -0.0008960200000000, 0.0003195400000000, 0.0006170600000000 ] - [ 0.0005880500000000, 0.0006785600000000, -0.0006913500000000 ] - [ 0.0005751000000000, 0.0002311300000000, -0.0006524200000000 ] - [ 0.0000334000000000, -0.0004597100000000, -0.0003993800000000 ] - [ 0.0006811700000000, -0.0001149100000000, -0.0006343800000000 ] - [ 0.0011033900000000, -0.0004720300000000, -0.0009050000000000 ] - [ 0.0004690100000000, -0.0001158000000000, -0.0006708800000000 ] - [ -0.0064321000000000, 0.0119954500000000, 0.0012843400000000 ] - [ -0.0005897700000000, 0.0000594700000000, -0.0006425200000000 ] - [ -0.0005731900000000, -0.0034204500000000, -0.0006544500000000 ] - [ -0.0005684800000000, -0.0001145100000000, -0.0006526200000000 ] - [ 0.0048071900000000, 0.0115128700000000, -0.0023875500000000 ] - [ -0.0005457400000000, 0.0000577200000000, -0.0006622500000000 ] - [ 0.0005767700000000, 0.0001277600000000, 0.0006523900000000 ] - [ 0.0005676200000000, 0.0017795800000000, 0.0006453100000000 ] - [ 0.0005175500000000, -0.0000616600000000, 0.0006318300000000 ] - [ 0.0009501500000000, -0.0009071400000000, -0.0000965800000000 ] - [ 0.0006328100000000, -0.0000645700000000, 0.0006729000000000 ] - [ 0.0001871300000000, -0.0009070200000000, 0.0013906200000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012726500000000, -0.0002876400000000, -0.0012123100000000 ] - [ 0.0007659900000000, 0.0000149000000000, -0.0003004700000000 ] - [ 0.0005824800000000, 0.0000000000000000, -0.0000304500000000 ] - [ 0.0007708700000000, 0.0000000000000000, -0.0002852000000000 ] - [ 0.0012726500000000, 0.0002876400000000, -0.0012123100000000 ] - [ 0.0007659900000000, -0.0000149000000000, -0.0003004700000000 ] - [ -0.1927959000000000, 0.0000000000000000, 0.2644460900000000 ] - [ -0.0003418200000000, 0.0000000000000000, -0.0003349000000000 ] - [ -0.0022494100000000, -0.0001028200000000, 0.0022839100000000 ] - [ -0.0003573800000000, -0.0000020100000000, -0.0003119600000000 ] - [ -0.0022494100000000, 0.0001028200000000, 0.0022839100000000 ] - [ -0.0003573800000000, 0.0000020100000000, -0.0003119600000000 ] - [ -0.0036139100000000, 0.0002881000000000, -0.0041075100000000 ] - [ 0.0006660200000000, -0.0000043700000000, 0.0002359700000000 ] - [ -0.0000693600000000, 0.0000000000000000, -0.0007835500000000 ] - [ 0.0006479000000000, 0.0000000000000000, 0.0002082800000000 ] - [ -0.0036139100000000, -0.0002881000000000, -0.0041075100000000 ] - [ 0.0006660200000000, 0.0000043700000000, 0.0002359700000000 ] - [ -0.0000492500000000, 0.0000000000000000, 0.0008037100000000 ] - [ 0.0006312900000000, 0.0000000000000000, 0.0022135300000000 ] - [ -0.0001324100000000, -0.0001855300000000, 0.0006294900000000 ] - [ 0.0000285600000000, 0.0001493400000000, 0.0009972100000000 ] - [ -0.0001324100000000, 0.0001855300000000, 0.0006294900000000 ] - [ 0.0000285600000000, -0.0001493400000000, 0.0009972100000000 ] - [ -0.0028653700000000, -0.0011137400000000, 0.0015271700000000 ] - [ -0.0014704100000000, -0.0000619600000000, 0.0003560400000000 ] - [ -0.0011310100000000, 0.0000000000000000, 0.0003173200000000 ] - [ -0.0015158400000000, 0.0000000000000000, 0.0003091300000000 ] - [ -0.0028653700000000, 0.0011137400000000, 0.0015271700000000 ] - [ -0.0014704100000000, 0.0000619600000000, 0.0003560400000000 ] - [ -0.0381358200000000, 0.0000000000000000, 0.0335855900000000 ] - [ 0.0008532100000000, 0.0000000000000000, 0.0000062300000000 ] - [ 0.0024929600000000, -0.0018426100000000, -0.0015265600000000 ] - [ 0.0008917000000000, 0.0000105900000000, 0.0000095700000000 ] - [ 0.0024929600000000, 0.0018426100000000, -0.0015265600000000 ] - [ 0.0008917000000000, -0.0000105900000000, 0.0000095700000000 ] - [ -0.0006703200000000, 0.0036930200000000, 0.0064078300000000 ] - [ -0.0016838400000000, -0.0000346800000000, -0.0001570900000000 ] - [ -0.0008670300000000, 0.0000000000000000, 0.0004274100000000 ] - [ -0.0016264100000000, 0.0000000000000000, -0.0001560500000000 ] - [ -0.0006703200000000, -0.0036930200000000, 0.0064078300000000 ] - [ -0.0016838400000000, 0.0000346800000000, -0.0001570900000000 ] - [ 0.2249985100000000, 0.0000000000000000, -0.3235835800000000 ] - [ -0.0009765200000000, 0.0000000000000000, -0.0003530800000000 ] - [ 0.0007043100000000, 0.0011711900000000, -0.0029371100000000 ] - [ -0.0009377600000000, -0.0000169500000000, -0.0003615000000000 ] - [ 0.0007043100000000, -0.0011711900000000, -0.0029371100000000 ] - [ -0.0009377600000000, 0.0000169500000000, -0.0003615000000000 ] - [ 0.0030419000000000, -0.0009096500000000, 0.0056140100000000 ] - [ 0.0002483200000000, -0.0000007400000000, -0.0005872800000000 ] - [ 0.0011229200000000, 0.0000000000000000, 0.0002455500000000 ] - [ 0.0002779600000000, 0.0000000000000000, -0.0005765200000000 ] - [ 0.0030419000000000, 0.0009096500000000, 0.0056140100000000 ] - [ 0.0002483200000000, 0.0000007400000000, -0.0005872800000000 ] - [ -0.0022034500000000, 0.0000000000000000, -0.0012322200000000 ] - [ -0.0014332100000000, 0.0000000000000000, -0.0012318900000000 ] - [ -0.0013482600000000, -0.0009160200000000, -0.0002093700000000 ] - [ -0.0009679500000000, -0.0000390300000000, -0.0002076100000000 ] - [ -0.0013482600000000, 0.0009160200000000, -0.0002093700000000 ] - [ -0.0009679500000000, 0.0000390300000000, -0.0002076100000000 ] - [ -0.0000288800000000, 0.0000902500000000, 0.0017586500000000 ] - [ 0.0002876400000000, 0.0000707300000000, 0.0011399400000000 ] - [ 0.0005405500000000, 0.0000000000000000, 0.0005803500000000 ] - [ 0.0003258500000000, 0.0000000000000000, 0.0009564800000000 ] - [ -0.0000288800000000, -0.0000902500000000, 0.0017586500000000 ] - [ 0.0002876400000000, -0.0000707300000000, 0.0011399400000000 ] - [ 0.0007617400000000, 0.0000000000000000, -0.0009667100000000 ] - [ -0.0018800200000000, 0.0000000000000000, -0.0001420000000000 ] - [ 0.0009655800000000, 0.0001271000000000, -0.0004770900000000 ] - [ 0.0001501800000000, 0.0010282300000000, 0.0001674700000000 ] - [ 0.0009655800000000, -0.0001271000000000, -0.0004770900000000 ] - [ 0.0001501800000000, -0.0010282300000000, 0.0001674700000000 ] - [ 0.0052951600000000, 0.0000000000000000, 0.0025214300000000 ] - [ 0.0003142800000000, 0.0000000000000000, -0.0001895900000000 ] - [ 0.0011012400000000, 0.0001911400000000, -0.0001190200000000 ] - [ 0.0003592700000000, 0.0000283500000000, -0.0002307700000000 ] - [ 0.0011012400000000, -0.0001911400000000, -0.0001190200000000 ] - [ 0.0003592700000000, -0.0000283500000000, -0.0002307700000000 ] - [ 0.0024273100000000, 0.0000000000000000, 0.0023338900000000 ] - [ 0.0003706200000000, 0.0000000000000000, 0.0003425600000000 ] - [ 0.0013282800000000, -0.0008136000000000, 0.0011575500000000 ] - [ 0.0004538000000000, -0.0000388400000000, 0.0003553100000000 ] - [ 0.0013282800000000, 0.0008136000000000, 0.0011575500000000 ] - [ 0.0004538000000000, 0.0000388400000000, 0.0003553100000000 ] - [ 0.0024851300000000, 0.0025361600000000, -0.0008424000000000 ] - [ -0.0010082400000000, 0.0000258200000000, 0.0003959400000000 ] - [ -0.0002033700000000, 0.0000000000000000, 0.0000373000000000 ] - [ -0.0009692600000000, 0.0000000000000000, 0.0003803700000000 ] - [ 0.0024851300000000, -0.0025361600000000, -0.0008424000000000 ] - [ -0.0010082400000000, -0.0000258200000000, 0.0003959400000000 ] - [ -0.0010241900000000, -0.0000890200000000, -0.0004300500000000 ] - [ 0.0013101800000000, -0.0013641100000000, -0.0011239300000000 ] - [ -0.0009726400000000, 0.0000000000000000, -0.0003824900000000 ] - [ -0.0005694100000000, 0.0000000000000000, -0.0005880800000000 ] - [ -0.0010241900000000, 0.0000890200000000, -0.0004300500000000 ] - [ 0.0013101800000000, 0.0013641100000000, -0.0011239300000000 ] - [ -0.0024245900000000, -0.0005493400000000, -0.0006100700000000 ] - [ 0.0001707700000000, -0.0002578500000000, -0.0008772200000000 ] - [ -0.0010957200000000, 0.0000000000000000, -0.0003377300000000 ] - [ -0.0001615500000000, 0.0000000000000000, -0.0006515100000000 ] - [ -0.0024245900000000, 0.0005493400000000, -0.0006100700000000 ] - [ 0.0001707700000000, 0.0002578500000000, -0.0008772200000000 ] - [ 0.0018949100000000, 0.0000000000000000, -0.0006155200000000 ] - [ -0.0015994500000000, 0.0000000000000000, -0.0005021700000000 ] - [ 0.0010105800000000, 0.0003574200000000, -0.0005517400000000 ] - [ -0.0000410500000000, 0.0003574100000000, -0.0004195300000000 ] - [ 0.0010105800000000, -0.0003574200000000, -0.0005517400000000 ] - [ -0.0000410500000000, -0.0003574100000000, -0.0004195300000000 ] - [ -0.0047855800000000, 0.0090598600000000, -0.0064867200000000 ] - [ -0.0001465700000000, 0.0000283800000000, 0.0005505700000000 ] - [ -0.0008850400000000, 0.0000000000000000, 0.0003929600000000 ] - [ -0.0002170700000000, 0.0000000000000000, 0.0005307800000000 ] - [ -0.0047855800000000, -0.0090598600000000, -0.0064867200000000 ] - [ -0.0001465700000000, -0.0000283800000000, 0.0005505700000000 ] - [ 0.0067074800000000, 0.0000000000000000, 0.0191050700000000 ] - [ 0.0010585400000000, 0.0000000000000000, 0.0004597200000000 ] - [ -0.0001240300000000, -0.0021195100000000, 0.0003801400000000 ] - [ 0.0009967600000000, -0.0000015700000000, 0.0004749700000000 ] - [ -0.0001240300000000, 0.0021195100000000, 0.0003801400000000 ] - [ 0.0009967600000000, 0.0000015700000000, 0.0004749700000000 ] - [ 0.0024439200000000, 0.0048721800000000, 0.0049354700000000 ] - [ -0.0000800500000000, -0.0001218900000000, 0.0008521200000000 ] - [ -0.0008263800000000, 0.0000000000000000, 0.0009137800000000 ] - [ -0.0001408900000000, 0.0000000000000000, 0.0007771200000000 ] - [ 0.0024439200000000, -0.0048721800000000, 0.0049354700000000 ] - [ -0.0000800500000000, 0.0001218900000000, 0.0008521200000000 ] - [ 0.0035689000000000, 0.0000000000000000, -0.0116924500000000 ] - [ 0.0009430500000000, 0.0000000000000000, -0.0007030100000000 ] - [ -0.0000662400000000, 0.0005185400000000, -0.0016549900000000 ] - [ 0.0009347900000000, 0.0000103400000000, -0.0006945900000000 ] - [ -0.0000662400000000, -0.0005185400000000, -0.0016549900000000 ] - [ 0.0009347900000000, -0.0000103400000000, -0.0006945900000000 ] - [ -0.0025242500000000, 0.0023836100000000, 0.0045122600000000 ] - [ -0.0000785300000000, 0.0000767400000000, -0.0006214400000000 ] - [ -0.0010375800000000, 0.0000000000000000, -0.0002243000000000 ] - [ -0.0001179800000000, 0.0000000000000000, -0.0006165800000000 ] - [ -0.0025242500000000, -0.0023836100000000, 0.0045122600000000 ] - [ -0.0000785300000000, -0.0000767400000000, -0.0006214400000000 ] - [ 0.0010320000000000, 0.0000000000000000, 0.0006061300000000 ] - [ 0.0019742200000000, 0.0000000000000000, -0.0024052300000000 ] - [ 0.0009478300000000, 0.0001647700000000, 0.0006190700000000 ] - [ 0.0009319900000000, -0.0006489100000000, -0.0002603100000000 ] - [ 0.0009478300000000, -0.0001647700000000, 0.0006190700000000 ] - [ 0.0009319900000000, 0.0006489100000000, -0.0002603100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002511700000000, 0.0002884800000000, 0.0012879100000000 ] - [ 0.0002580500000000, -0.0000147800000000, 0.0003730100000000 ] - [ 0.0004411500000000, 0.0000000000000000, 0.0001032100000000 ] - [ 0.0002528700000000, 0.0000000000000000, 0.0003580700000000 ] - [ -0.0002511700000000, -0.0002884800000000, 0.0012879100000000 ] - [ 0.0002580500000000, 0.0000147800000000, 0.0003730100000000 ] - [ 0.2038279800000000, 0.0000000000000000, -0.2742519200000000 ] - [ -0.0006830300000000, 0.0000000000000000, 0.0002638300000000 ] - [ 0.0012417900000000, 0.0001038300000000, -0.0023784100000000 ] - [ -0.0006669300000000, 0.0000020600000000, 0.0002398400000000 ] - [ 0.0012417900000000, -0.0001038300000000, -0.0023784100000000 ] - [ -0.0006669300000000, -0.0000020600000000, 0.0002398400000000 ] - [ 0.0046449700000000, -0.0002956500000000, 0.0040332000000000 ] - [ 0.0003562200000000, 0.0000044100000000, -0.0003115900000000 ] - [ 0.0010955800000000, 0.0000000000000000, 0.0007140900000000 ] - [ 0.0003747300000000, 0.0000000000000000, -0.0002836600000000 ] - [ 0.0046449700000000, 0.0002956500000000, 0.0040332000000000 ] - [ 0.0003562200000000, -0.0000044100000000, -0.0003115900000000 ] - [ -0.0009740000000000, 0.0000000000000000, -0.0007311900000000 ] - [ -0.0016596400000000, 0.0000000000000000, -0.0021437100000000 ] - [ -0.0008905600000000, 0.0001865300000000, -0.0005561800000000 ] - [ -0.0010562200000000, -0.0001505700000000, -0.0009310300000000 ] - [ -0.0008905600000000, -0.0001865300000000, -0.0005561800000000 ] - [ -0.0010562200000000, 0.0001505700000000, -0.0009310300000000 ] - [ 0.0003165600000000, 0.0011204600000000, -0.0013911700000000 ] - [ -0.0010800700000000, 0.0000619700000000, -0.0002193100000000 ] - [ -0.0014242800000000, 0.0000000000000000, -0.0001796100000000 ] - [ -0.0010359200000000, 0.0000000000000000, -0.0001713900000000 ] - [ 0.0003165600000000, -0.0011204600000000, -0.0013911700000000 ] - [ -0.0010800700000000, -0.0000619700000000, -0.0002193100000000 ] - [ 0.0411707800000000, 0.0000000000000000, -0.0337891000000000 ] - [ 0.0017035500000000, 0.0000000000000000, -0.0001442400000000 ] - [ 0.0000482400000000, 0.0018468500000000, 0.0014040500000000 ] - [ 0.0016630600000000, -0.0000104600000000, -0.0001453600000000 ] - [ 0.0000482400000000, -0.0018468500000000, 0.0014040500000000 ] - [ 0.0016630600000000, 0.0000104600000000, -0.0001453600000000 ] - [ -0.0019038300000000, -0.0036733100000000, -0.0065502400000000 ] - [ -0.0008665100000000, 0.0000348400000000, 0.0000213200000000 ] - [ -0.0016896300000000, 0.0000000000000000, -0.0005707600000000 ] - [ -0.0009226400000000, 0.0000000000000000, 0.0000222200000000 ] - [ -0.0019038300000000, 0.0036733100000000, -0.0065502400000000 ] - [ -0.0008665100000000, -0.0000348400000000, 0.0000213200000000 ] - [ -0.2393217200000000, 0.0000000000000000, 0.3316253100000000 ] - [ -0.0001973000000000, 0.0000000000000000, -0.0005994600000000 ] - [ -0.0018882300000000, -0.0011942700000000, 0.0019892500000000 ] - [ -0.0002349100000000, 0.0000169500000000, -0.0005926300000000 ] - [ -0.0018882300000000, 0.0011942700000000, 0.0019892500000000 ] - [ -0.0002349100000000, -0.0000169500000000, -0.0005926300000000 ] - [ -0.0018709200000000, 0.0009198600000000, -0.0065521300000000 ] - [ 0.0009297400000000, 0.0000008100000000, -0.0003641200000000 ] - [ 0.0000490700000000, 0.0000000000000000, -0.0011974600000000 ] - [ 0.0008988900000000, 0.0000000000000000, -0.0003762500000000 ] - [ -0.0018709200000000, -0.0009198600000000, -0.0065521300000000 ] - [ 0.0009297400000000, -0.0000008100000000, -0.0003641200000000 ] - [ 0.0010292600000000, 0.0000000000000000, 0.0021857700000000 ] - [ 0.0002613400000000, 0.0000000000000000, 0.0021855600000000 ] - [ 0.0001723200000000, 0.0009192000000000, 0.0011612600000000 ] - [ -0.0002040400000000, 0.0000394000000000, 0.0011628800000000 ] - [ 0.0001723200000000, -0.0009192000000000, 0.0011612600000000 ] - [ -0.0002040400000000, -0.0000394000000000, 0.0011628800000000 ] - [ 0.0012098100000000, -0.0000894200000000, -0.0008095000000000 ] - [ 0.0008856400000000, -0.0000699800000000, -0.0001878800000000 ] - [ 0.0006355500000000, 0.0000000000000000, 0.0003716000000000 ] - [ 0.0008497600000000, 0.0000000000000000, -0.0000059800000000 ] - [ 0.0012098100000000, 0.0000894200000000, -0.0008095000000000 ] - [ 0.0008856400000000, 0.0000699800000000, -0.0001878800000000 ] - [ 0.0017973200000000, 0.0000000000000000, 0.0011056300000000 ] - [ 0.0044331000000000, 0.0000000000000000, 0.0002754000000000 ] - [ 0.0015883100000000, -0.0001264900000000, 0.0006119300000000 ] - [ 0.0024118900000000, -0.0010350000000000, -0.0000313400000000 ] - [ 0.0015883100000000, 0.0001264900000000, 0.0006119300000000 ] - [ 0.0024118900000000, 0.0010350000000000, -0.0000313400000000 ] - [ -0.0038662100000000, 0.0000000000000000, -0.0032492200000000 ] - [ 0.0010744600000000, 0.0000000000000000, -0.0005513500000000 ] - [ 0.0002838000000000, -0.0001891400000000, -0.0006216300000000 ] - [ 0.0010295500000000, -0.0000282400000000, -0.0005100700000000 ] - [ 0.0002838000000000, 0.0001891400000000, -0.0006216300000000 ] - [ 0.0010295500000000, 0.0000282400000000, -0.0005100700000000 ] - [ -0.0010439100000000, 0.0000000000000000, -0.0015962000000000 ] - [ 0.0010179200000000, 0.0000000000000000, 0.0003978000000000 ] - [ 0.0000572500000000, 0.0008147100000000, -0.0004160400000000 ] - [ 0.0009341000000000, 0.0000390300000000, 0.0003846100000000 ] - [ 0.0000572500000000, -0.0008147100000000, -0.0004160400000000 ] - [ 0.0009341000000000, -0.0000390300000000, 0.0003846100000000 ] - [ -0.0038772300000000, -0.0025296000000000, 0.0015638800000000 ] - [ -0.0003769400000000, -0.0000259100000000, 0.0003434800000000 ] - [ -0.0011874200000000, 0.0000000000000000, 0.0007005200000000 ] - [ -0.0004158800000000, 0.0000000000000000, 0.0003587500000000 ] - [ -0.0038772300000000, 0.0025296000000000, 0.0015638800000000 ] - [ -0.0003769400000000, 0.0000259100000000, 0.0003434800000000 ] - [ -0.0003601600000000, 0.0000896200000000, -0.0003097300000000 ] - [ -0.0026939100000000, 0.0013630600000000, 0.0003955800000000 ] - [ -0.0004121100000000, 0.0000000000000000, -0.0003573000000000 ] - [ -0.0008153600000000, 0.0000000000000000, -0.0001498500000000 ] - [ -0.0003601600000000, -0.0000896200000000, -0.0003097300000000 ] - [ -0.0026939100000000, -0.0013630600000000, 0.0003955800000000 ] - [ 0.0012770300000000, 0.0005398900000000, -0.0004119900000000 ] - [ -0.0013153600000000, 0.0002578300000000, -0.0001457600000000 ] - [ -0.0000450200000000, 0.0000000000000000, -0.0006872900000000 ] - [ -0.0009834300000000, 0.0000000000000000, -0.0003719000000000 ] - [ 0.0012770300000000, -0.0005398900000000, -0.0004119900000000 ] - [ -0.0013153600000000, -0.0002578300000000, -0.0001457600000000 ] - [ -0.0007607700000000, 0.0000000000000000, -0.0004099600000000 ] - [ 0.0027427500000000, 0.0000000000000000, -0.0005295000000000 ] - [ 0.0001298000000000, -0.0003593400000000, -0.0004740400000000 ] - [ 0.0011815600000000, -0.0003561800000000, -0.0006088100000000 ] - [ 0.0001298000000000, 0.0003593400000000, -0.0004740400000000 ] - [ 0.0011815600000000, 0.0003561800000000, -0.0006088100000000 ] - [ 0.0036572900000000, -0.0090982900000000, 0.0075179600000000 ] - [ -0.0009984200000000, -0.0000289500000000, 0.0004741700000000 ] - [ -0.0002563100000000, 0.0000000000000000, 0.0006246000000000 ] - [ -0.0009274100000000, 0.0000000000000000, 0.0004936900000000 ] - [ 0.0036572900000000, 0.0090982900000000, 0.0075179600000000 ] - [ -0.0009984200000000, 0.0000289500000000, 0.0004741700000000 ] - [ -0.0049357200000000, 0.0000000000000000, -0.0172147600000000 ] - [ 0.0000804700000000, 0.0000000000000000, 0.0005658700000000 ] - [ 0.0012725600000000, 0.0021139200000000, 0.0006549400000000 ] - [ 0.0001429300000000, 0.0000011800000000, 0.0005501700000000 ] - [ 0.0012725600000000, -0.0021139200000000, 0.0006549400000000 ] - [ 0.0001429300000000, -0.0000011800000000, 0.0005501700000000 ] - [ -0.0035635700000000, -0.0048723700000000, -0.0036420800000000 ] - [ -0.0010683600000000, 0.0001220200000000, 0.0004505500000000 ] - [ -0.0003093200000000, 0.0000000000000000, 0.0003896700000000 ] - [ -0.0010069100000000, 0.0000000000000000, 0.0005257400000000 ] - [ -0.0035635700000000, 0.0048723700000000, -0.0036420800000000 ] - [ -0.0010683600000000, -0.0001220200000000, 0.0004505500000000 ] - [ -0.0024294000000000, 0.0000000000000000, 0.0103927600000000 ] - [ 0.0001988100000000, 0.0000000000000000, -0.0006007200000000 ] - [ 0.0012135800000000, -0.0005264000000000, 0.0003485000000000 ] - [ 0.0002070400000000, -0.0000099400000000, -0.0006098200000000 ] - [ 0.0012135800000000, 0.0005264000000000, 0.0003485000000000 ] - [ 0.0002070400000000, 0.0000099400000000, -0.0006098200000000 ] - [ 0.0013226500000000, -0.0023256200000000, -0.0058353100000000 ] - [ -0.0010693700000000, -0.0000779100000000, -0.0006820400000000 ] - [ -0.0001099500000000, 0.0000000000000000, -0.0010749400000000 ] - [ -0.0010292500000000, 0.0000000000000000, -0.0006881100000000 ] - [ 0.0013226500000000, 0.0023256200000000, -0.0058353100000000 ] - [ -0.0010693700000000, 0.0000779100000000, -0.0006820400000000 ] - [ 0.0001076600000000, 0.0000000000000000, 0.0006969700000000 ] - [ -0.0008177400000000, 0.0000000000000000, 0.0037050900000000 ] - [ 0.0001938400000000, -0.0001667500000000, 0.0006851200000000 ] - [ 0.0002158100000000, 0.0006466400000000, 0.0015664100000000 ] - [ 0.0001938400000000, 0.0001667500000000, 0.0006851200000000 ] - [ 0.0002158100000000, -0.0006466400000000, 0.0015664100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030271500000000, 0.0001083300000000, -0.0028839300000000 ] - [ 0.0001812400000000, -0.0000223100000000, 0.0006262900000000 ] - [ 0.0010217200000000, 0.0000000000000000, -0.0007621600000000 ] - [ 0.0002158300000000, 0.0000000000000000, 0.0005496900000000 ] - [ 0.0030271500000000, -0.0001083300000000, -0.0028839300000000 ] - [ 0.0001812400000000, 0.0000223100000000, 0.0006262900000000 ] - [ 0.0017623700000000, 0.0000000000000000, -0.0017203100000000 ] - [ -0.0008317300000000, 0.0000000000000000, 0.0005668900000000 ] - [ -0.0002232100000000, -0.0000517800000000, -0.0005708800000000 ] - [ -0.0008059200000000, 0.0000185200000000, 0.0004906900000000 ] - [ -0.0002232100000000, 0.0000517800000000, -0.0005708800000000 ] - [ -0.0008059200000000, -0.0000185200000000, 0.0004906900000000 ] - [ -0.0002875800000000, -0.0002843900000000, -0.0013077100000000 ] - [ 0.0001695500000000, 0.0000270700000000, -0.0006340200000000 ] - [ 0.0006697200000000, 0.0000000000000000, 0.0002265800000000 ] - [ 0.0002289900000000, 0.0000000000000000, -0.0005502500000000 ] - [ -0.0002875800000000, 0.0002843900000000, -0.0013077100000000 ] - [ 0.0001695500000000, -0.0000270700000000, -0.0006340200000000 ] - [ 0.0021560800000000, 0.0000000000000000, 0.0027615200000000 ] - [ -0.0008526700000000, 0.0000000000000000, -0.0005653200000000 ] - [ 0.0006526000000000, 0.0002518500000000, 0.0011759700000000 ] - [ -0.0007729600000000, -0.0000290600000000, -0.0004286000000000 ] - [ 0.0006526000000000, -0.0002518500000000, 0.0011759700000000 ] - [ -0.0007729600000000, 0.0000290600000000, -0.0004286000000000 ] - [ -0.0039341200000000, -0.0003483900000000, 0.0014580100000000 ] - [ -0.0005203500000000, -0.0000206900000000, -0.0002259800000000 ] - [ -0.0023823200000000, 0.0000000000000000, 0.0002804100000000 ] - [ -0.0006043900000000, 0.0000000000000000, -0.0001736900000000 ] - [ -0.0039341200000000, 0.0003483900000000, 0.0014580100000000 ] - [ -0.0005203500000000, 0.0000206900000000, -0.0002259800000000 ] - [ -0.0006603700000000, 0.0000000000000000, 0.0003327600000000 ] - [ 0.0020405200000000, 0.0000000000000000, -0.0003891600000000 ] - [ 0.0002677100000000, -0.0002432600000000, -0.0000969600000000 ] - [ 0.0019682600000000, 0.0000063300000000, -0.0003299200000000 ] - [ 0.0002677100000000, 0.0002432600000000, -0.0000969600000000 ] - [ 0.0019682600000000, -0.0000063300000000, -0.0003299200000000 ] - [ 0.0001883700000000, -0.0013200700000000, 0.0001579800000000 ] - [ -0.0004555700000000, 0.0001327100000000, 0.0002309100000000 ] - [ -0.0013520800000000, 0.0000000000000000, -0.0002600900000000 ] - [ -0.0006252400000000, 0.0000000000000000, 0.0001914200000000 ] - [ 0.0001883700000000, 0.0013200700000000, 0.0001579800000000 ] - [ -0.0004555700000000, -0.0001327100000000, 0.0002309100000000 ] - [ 0.0007585500000000, 0.0000000000000000, 0.0040734500000000 ] - [ 0.0002577600000000, 0.0000000000000000, -0.0008563700000000 ] - [ -0.0008002400000000, -0.0003669900000000, -0.0000676900000000 ] - [ 0.0000954000000000, 0.0000894000000000, -0.0008116400000000 ] - [ -0.0008002400000000, 0.0003669900000000, -0.0000676900000000 ] - [ 0.0000954000000000, -0.0000894000000000, -0.0008116400000000 ] - [ 0.0021254400000000, -0.0024998000000000, -0.0024660200000000 ] - [ 0.0012900300000000, 0.0000074400000000, -0.0001446300000000 ] - [ -0.0000939900000000, 0.0000000000000000, -0.0005986000000000 ] - [ 0.0011912400000000, 0.0000000000000000, -0.0001969400000000 ] - [ 0.0021254400000000, 0.0024998000000000, -0.0024660200000000 ] - [ 0.0012900300000000, -0.0000074400000000, -0.0001446300000000 ] - [ -0.0030299800000000, 0.0000000000000000, -0.0012619200000000 ] - [ 0.0001636400000000, 0.0000000000000000, 0.0007990400000000 ] - [ -0.0018560000000000, 0.0000198900000000, -0.0001578100000000 ] - [ 0.0000233900000000, -0.0000208700000000, 0.0007164000000000 ] - [ -0.0018560000000000, -0.0000198900000000, -0.0001578100000000 ] - [ 0.0000233900000000, 0.0000208700000000, 0.0007164000000000 ] - [ 0.0015202300000000, 0.0021692000000000, 0.0036628800000000 ] - [ 0.0013812300000000, -0.0001111200000000, 0.0001614000000000 ] - [ 0.0001049500000000, 0.0000000000000000, 0.0009676700000000 ] - [ 0.0012204200000000, 0.0000000000000000, 0.0001996600000000 ] - [ 0.0015202300000000, -0.0021692000000000, 0.0036628800000000 ] - [ 0.0013812300000000, 0.0001111200000000, 0.0001614000000000 ] - [ 0.0037472000000000, 0.0000000000000000, -0.0040757500000000 ] - [ 0.0021421700000000, 0.0000000000000000, 0.0004070000000000 ] - [ 0.0019412100000000, 0.0013933200000000, -0.0013405800000000 ] - [ 0.0018855900000000, -0.0001700900000000, 0.0003550600000000 ] - [ 0.0019412100000000, -0.0013933200000000, -0.0013405800000000 ] - [ 0.0018855900000000, 0.0001700900000000, 0.0003550600000000 ] - [ -0.0416350500000000, 0.0000000000000000, 0.0042406300000000 ] - [ 0.0011857800000000, 0.0000000000000000, -0.0004322500000000 ] - [ -0.0009231000000000, 0.0004906700000000, 0.0000301800000000 ] - [ 0.0011523600000000, -0.0000117900000000, -0.0004216200000000 ] - [ -0.0009231000000000, -0.0004906700000000, 0.0000301800000000 ] - [ 0.0011523600000000, 0.0000117900000000, -0.0004216200000000 ] - [ 0.0011673600000000, 0.0000000000000000, 0.0002961200000000 ] - [ 0.0011666800000000, 0.0000000000000000, 0.0006076200000000 ] - [ 0.0010219200000000, -0.0003144600000000, 0.0002269600000000 ] - [ 0.0010216300000000, 0.0001800900000000, 0.0005252200000000 ] - [ 0.0010219200000000, 0.0003144600000000, 0.0002269600000000 ] - [ 0.0010216300000000, -0.0001800900000000, 0.0005252200000000 ] - [ -0.0029208500000000, -0.0023879500000000, 0.0023178300000000 ] - [ -0.0002118600000000, 0.0000026100000000, 0.0003043700000000 ] - [ -0.0015416800000000, 0.0000000000000000, 0.0004848100000000 ] - [ -0.0002442000000000, 0.0000000000000000, 0.0003133000000000 ] - [ -0.0029208500000000, 0.0023879500000000, 0.0023178300000000 ] - [ -0.0002118600000000, -0.0000026100000000, 0.0003043700000000 ] - [ -0.0005347100000000, 0.0001410100000000, -0.0004217500000000 ] - [ -0.0001513400000000, -0.0002010100000000, -0.0002767600000000 ] - [ -0.0006093500000000, 0.0000000000000000, -0.0004378900000000 ] - [ -0.0005114200000000, 0.0000000000000000, -0.0003737400000000 ] - [ -0.0005347100000000, -0.0001410100000000, -0.0004217500000000 ] - [ -0.0001513400000000, 0.0002010100000000, -0.0002767600000000 ] - [ 0.0079113200000000, 0.0051176700000000, -0.0030345200000000 ] - [ -0.0013252900000000, 0.0000671400000000, -0.0004926200000000 ] - [ 0.0005156900000000, 0.0000000000000000, -0.0006590000000000 ] - [ -0.0012043900000000, 0.0000000000000000, -0.0004925600000000 ] - [ 0.0079113200000000, -0.0051176700000000, -0.0030345200000000 ] - [ -0.0013252900000000, -0.0000671400000000, -0.0004926200000000 ] - [ 0.0006408600000000, 0.0000000000000000, -0.0006225400000000 ] - [ -0.0002374300000000, 0.0000000000000000, -0.0005726600000000 ] - [ 0.0007575100000000, -0.0004230700000000, -0.0007046200000000 ] - [ 0.0000331100000000, 0.0001543200000000, -0.0004952500000000 ] - [ 0.0007575100000000, 0.0004230700000000, -0.0007046200000000 ] - [ 0.0000331100000000, -0.0001543200000000, -0.0004952500000000 ] - [ -0.0010294100000000, 0.0006960000000000, 0.0010492200000000 ] - [ -0.0011800200000000, -0.0000881400000000, 0.0004192300000000 ] - [ -0.0004373300000000, 0.0000000000000000, 0.0006552400000000 ] - [ -0.0009941400000000, 0.0000000000000000, 0.0004825800000000 ] - [ -0.0010294100000000, -0.0006960000000000, 0.0010492200000000 ] - [ -0.0011800200000000, 0.0000881400000000, 0.0004192300000000 ] - [ 0.0127129000000000, 0.0000000000000000, 0.0029447800000000 ] - [ -0.0002199100000000, 0.0000000000000000, 0.0005411800000000 ] - [ 0.0015394300000000, 0.0013427900000000, 0.0001758900000000 ] - [ -0.0001153100000000, -0.0000433400000000, 0.0005487000000000 ] - [ 0.0015394300000000, -0.0013427900000000, 0.0001758900000000 ] - [ -0.0001153100000000, 0.0000433400000000, 0.0005487000000000 ] - [ 0.0018342400000000, 0.0001747800000000, 0.0003926800000000 ] - [ -0.0014480400000000, 0.0000248300000000, 0.0006511600000000 ] - [ 0.0008379600000000, 0.0000000000000000, 0.0007653100000000 ] - [ -0.0013771700000000, 0.0000000000000000, 0.0006467200000000 ] - [ 0.0018342400000000, -0.0001747800000000, 0.0003926800000000 ] - [ -0.0014480400000000, -0.0000248300000000, 0.0006511600000000 ] - [ 0.0061379800000000, 0.0000000000000000, -0.0018426400000000 ] - [ -0.0003271900000000, 0.0000000000000000, -0.0006621400000000 ] - [ 0.0027095900000000, 0.0006192700000000, -0.0004508400000000 ] - [ -0.0002677200000000, -0.0000042800000000, -0.0006665200000000 ] - [ 0.0027095900000000, -0.0006192700000000, -0.0004508400000000 ] - [ -0.0002677200000000, 0.0000042800000000, -0.0006665200000000 ] - [ -0.0016208200000000, 0.0007259800000000, -0.0010263000000000 ] - [ -0.0016728600000000, -0.0004960200000000, -0.0002950900000000 ] - [ -0.0008392500000000, 0.0000000000000000, -0.0007153600000000 ] - [ -0.0011142000000000, 0.0000000000000000, -0.0005029400000000 ] - [ -0.0016208200000000, -0.0007259800000000, -0.0010263000000000 ] - [ -0.0016728600000000, 0.0004960200000000, -0.0002950900000000 ] - [ -0.0018107700000000, 0.0000000000000000, 0.0001974600000000 ] - [ -0.0008996100000000, 0.0000000000000000, 0.0008496300000000 ] - [ -0.0001389000000000, -0.0006457200000000, 0.0005855100000000 ] - [ -0.0003075700000000, 0.0005668700000000, 0.0006611200000000 ] - [ -0.0001389000000000, 0.0006457200000000, 0.0005855100000000 ] - [ -0.0003075700000000, -0.0005668700000000, 0.0006611200000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019933500000000, -0.0001029800000000, 0.0029530000000000 ] - [ 0.0008420800000000, 0.0000224300000000, -0.0005533700000000 ] - [ 0.0000008100000000, 0.0000000000000000, 0.0008364500000000 ] - [ 0.0008077700000000, 0.0000000000000000, -0.0004773000000000 ] - [ -0.0019933500000000, 0.0001029800000000, 0.0029530000000000 ] - [ 0.0008420800000000, -0.0000224300000000, -0.0005533700000000 ] - [ -0.0028086600000000, 0.0000000000000000, 0.0016608500000000 ] - [ -0.0001918100000000, 0.0000000000000000, -0.0006407900000000 ] - [ -0.0008011800000000, 0.0000520100000000, 0.0004984200000000 ] - [ -0.0002166900000000, -0.0000183900000000, -0.0005663500000000 ] - [ -0.0008011800000000, -0.0000520100000000, 0.0004984200000000 ] - [ -0.0002166900000000, 0.0000183900000000, -0.0005663500000000 ] - [ 0.0013032700000000, 0.0002832100000000, 0.0012224200000000 ] - [ 0.0008534500000000, -0.0000269800000000, 0.0005607600000000 ] - [ 0.0003530700000000, 0.0000000000000000, -0.0003009700000000 ] - [ 0.0007944900000000, 0.0000000000000000, 0.0004774500000000 ] - [ 0.0013032700000000, -0.0002832100000000, 0.0012224200000000 ] - [ 0.0008534500000000, 0.0000269800000000, 0.0005607600000000 ] - [ -0.0031565800000000, 0.0000000000000000, -0.0026726000000000 ] - [ -0.0001696800000000, 0.0000000000000000, 0.0006412000000000 ] - [ -0.0016786000000000, -0.0002531500000000, -0.0011044000000000 ] - [ -0.0002506300000000, 0.0000292400000000, 0.0005027100000000 ] - [ -0.0016786000000000, 0.0002531500000000, -0.0011044000000000 ] - [ -0.0002506300000000, -0.0000292400000000, 0.0005027100000000 ] - [ 0.0013741400000000, 0.0003405900000000, -0.0013253700000000 ] - [ -0.0020325600000000, 0.0000208800000000, 0.0003606000000000 ] - [ -0.0001695900000000, 0.0000000000000000, -0.0001433900000000 ] - [ -0.0019504000000000, 0.0000000000000000, 0.0003109200000000 ] - [ 0.0013741400000000, -0.0003405900000000, -0.0013253700000000 ] - [ -0.0020325600000000, -0.0000208800000000, 0.0003606000000000 ] - [ 0.0032394600000000, 0.0000000000000000, -0.0005007100000000 ] - [ 0.0005110100000000, 0.0000000000000000, 0.0002520300000000 ] - [ 0.0022869100000000, 0.0002436100000000, -0.0000380000000000 ] - [ 0.0005810000000000, -0.0000062300000000, 0.0001961000000000 ] - [ 0.0022869100000000, -0.0002436100000000, -0.0000380000000000 ] - [ 0.0005810000000000, 0.0000062300000000, 0.0001961000000000 ] - [ -0.0027435300000000, 0.0013349400000000, -0.0002813100000000 ] - [ -0.0020986000000000, -0.0001325900000000, -0.0003666300000000 ] - [ -0.0012000700000000, 0.0000000000000000, 0.0001224200000000 ] - [ -0.0019276700000000, 0.0000000000000000, -0.0003258300000000 ] - [ -0.0027435300000000, -0.0013349400000000, -0.0002813100000000 ] - [ -0.0020986000000000, 0.0001325900000000, -0.0003666300000000 ] - [ -0.0019499200000000, 0.0000000000000000, -0.0050877200000000 ] - [ -0.0014343300000000, 0.0000000000000000, -0.0000953300000000 ] - [ -0.0003735100000000, 0.0003684100000000, -0.0008848600000000 ] - [ -0.0012721700000000, -0.0000888600000000, -0.0001410000000000 ] - [ -0.0003735100000000, -0.0003684100000000, -0.0008848600000000 ] - [ -0.0012721700000000, 0.0000888600000000, -0.0001410000000000 ] - [ -0.0009372100000000, 0.0025122200000000, 0.0015386400000000 ] - [ -0.0001160800000000, -0.0000074300000000, -0.0008079900000000 ] - [ 0.0012729500000000, 0.0000000000000000, -0.0003523500000000 ] - [ -0.0000184800000000, 0.0000000000000000, -0.0007572800000000 ] - [ -0.0009372100000000, -0.0025122200000000, 0.0015386400000000 ] - [ -0.0001160800000000, 0.0000074300000000, -0.0008079900000000 ] - [ 0.0018356900000000, 0.0000000000000000, 0.0022086800000000 ] - [ -0.0013424600000000, 0.0000000000000000, 0.0001514300000000 ] - [ 0.0006821900000000, -0.0000204400000000, 0.0011122000000000 ] - [ -0.0012007900000000, 0.0000211100000000, 0.0002350400000000 ] - [ 0.0006821900000000, 0.0000204400000000, 0.0011122000000000 ] - [ -0.0012007900000000, -0.0000211100000000, 0.0002350400000000 ] - [ -0.0003458700000000, -0.0021550300000000, -0.0027007700000000 ] - [ -0.0002082900000000, 0.0001114300000000, 0.0007923300000000 ] - [ 0.0010703100000000, 0.0000000000000000, -0.0000170300000000 ] - [ -0.0000456900000000, 0.0000000000000000, 0.0007522900000000 ] - [ -0.0003458700000000, 0.0021550300000000, -0.0027007700000000 ] - [ -0.0002082900000000, -0.0001114300000000, 0.0007923300000000 ] - [ -0.0011719900000000, 0.0000000000000000, 0.0041756400000000 ] - [ 0.0004073700000000, 0.0000000000000000, -0.0002717200000000 ] - [ 0.0006088000000000, -0.0013968800000000, 0.0014783500000000 ] - [ 0.0006657500000000, 0.0001709500000000, -0.0002194600000000 ] - [ 0.0006088000000000, 0.0013968800000000, 0.0014783500000000 ] - [ 0.0006657500000000, -0.0001709500000000, -0.0002194600000000 ] - [ 0.0435653100000000, 0.0000000000000000, -0.0043147700000000 ] - [ 0.0002009800000000, 0.0000000000000000, -0.0003073900000000 ] - [ 0.0023100600000000, -0.0004960500000000, -0.0007691500000000 ] - [ 0.0002335600000000, 0.0000118600000000, -0.0003179600000000 ] - [ 0.0023100600000000, 0.0004960500000000, -0.0007691500000000 ] - [ 0.0002335600000000, -0.0000118600000000, -0.0003179600000000 ] - [ 0.0002184600000000, 0.0000000000000000, 0.0004430100000000 ] - [ 0.0002177500000000, 0.0000000000000000, 0.0001322700000000 ] - [ 0.0003639000000000, 0.0003152600000000, 0.0005132600000000 ] - [ 0.0003635800000000, -0.0001802100000000, 0.0002144100000000 ] - [ 0.0003639000000000, -0.0003152600000000, 0.0005132600000000 ] - [ 0.0003635800000000, 0.0001802100000000, 0.0002144100000000 ] - [ 0.0015590800000000, 0.0023779600000000, -0.0015658300000000 ] - [ -0.0011768400000000, -0.0000024900000000, 0.0004354800000000 ] - [ 0.0001557200000000, 0.0000000000000000, 0.0002551200000000 ] - [ -0.0011444900000000, 0.0000000000000000, 0.0004261700000000 ] - [ 0.0015590800000000, -0.0023779600000000, -0.0015658300000000 ] - [ -0.0011768400000000, 0.0000024900000000, 0.0004354800000000 ] - [ -0.0008539800000000, -0.0001411800000000, -0.0003189400000000 ] - [ -0.0012371200000000, 0.0002025400000000, -0.0004637400000000 ] - [ -0.0007787100000000, 0.0000000000000000, -0.0003018000000000 ] - [ -0.0008752300000000, 0.0000000000000000, -0.0003656900000000 ] - [ -0.0008539800000000, 0.0001411800000000, -0.0003189400000000 ] - [ -0.0012371200000000, -0.0002025400000000, -0.0004637400000000 ] - [ -0.0089159300000000, -0.0048123000000000, 0.0018733400000000 ] - [ 0.0001837300000000, -0.0000675500000000, -0.0005327400000000 ] - [ -0.0016594100000000, 0.0000000000000000, -0.0003661500000000 ] - [ 0.0000623800000000, 0.0000000000000000, -0.0005330600000000 ] - [ -0.0089159300000000, 0.0048123000000000, 0.0018733400000000 ] - [ 0.0001837300000000, 0.0000675500000000, -0.0005327400000000 ] - [ 0.0005044800000000, 0.0000000000000000, -0.0003999000000000 ] - [ 0.0013823000000000, 0.0000000000000000, -0.0004521200000000 ] - [ 0.0003869600000000, 0.0004244400000000, -0.0003212300000000 ] - [ 0.0011101300000000, -0.0001547300000000, -0.0005302300000000 ] - [ 0.0003869600000000, -0.0004244400000000, -0.0003212300000000 ] - [ 0.0011101300000000, 0.0001547300000000, -0.0005302300000000 ] - [ -0.0001153700000000, -0.0006981700000000, -0.0000231900000000 ] - [ 0.0000385100000000, 0.0000878500000000, 0.0006065100000000 ] - [ -0.0007072300000000, 0.0000000000000000, 0.0003693700000000 ] - [ -0.0001475400000000, 0.0000000000000000, 0.0005425000000000 ] - [ -0.0001153700000000, 0.0006981700000000, -0.0000231900000000 ] - [ 0.0000385100000000, -0.0000878500000000, 0.0006065100000000 ] - [ -0.0123563500000000, 0.0000000000000000, -0.0023762500000000 ] - [ 0.0013629400000000, 0.0000000000000000, 0.0004839200000000 ] - [ -0.0004060900000000, -0.0013415300000000, 0.0008506500000000 ] - [ 0.0012592800000000, 0.0000428300000000, 0.0004763200000000 ] - [ -0.0004060900000000, 0.0013415300000000, 0.0008506500000000 ] - [ 0.0012592800000000, -0.0000428300000000, 0.0004763200000000 ] - [ -0.0029830100000000, -0.0001744100000000, 0.0009076400000000 ] - [ 0.0003048500000000, -0.0000251700000000, 0.0006519600000000 ] - [ -0.0019851400000000, 0.0000000000000000, 0.0005367100000000 ] - [ 0.0002343500000000, 0.0000000000000000, 0.0006563300000000 ] - [ -0.0029830100000000, 0.0001744100000000, 0.0009076400000000 ] - [ 0.0003048500000000, 0.0000251700000000, 0.0006519600000000 ] - [ -0.0050153200000000, 0.0000000000000000, 0.0006245200000000 ] - [ 0.0014725800000000, 0.0000000000000000, -0.0006405300000000 ] - [ -0.0015729100000000, -0.0006153500000000, -0.0008492600000000 ] - [ 0.0014132200000000, 0.0000047900000000, -0.0006369300000000 ] - [ -0.0015729100000000, 0.0006153500000000, -0.0008492600000000 ] - [ 0.0014132200000000, -0.0000047900000000, -0.0006369300000000 ] - [ 0.0004806300000000, -0.0007314500000000, -0.0002754300000000 ] - [ 0.0005280100000000, 0.0004926500000000, -0.0010065600000000 ] - [ -0.0003056700000000, 0.0000000000000000, -0.0005871400000000 ] - [ -0.0000277200000000, 0.0000000000000000, -0.0008010300000000 ] - [ 0.0004806300000000, 0.0007314500000000, -0.0002754300000000 ] - [ 0.0005280100000000, -0.0004926500000000, -0.0010065600000000 ] - [ 0.0029434900000000, 0.0000000000000000, 0.0011003300000000 ] - [ 0.0020474200000000, 0.0000000000000000, 0.0004508500000000 ] - [ 0.0012844000000000, 0.0006453000000000, 0.0007181700000000 ] - [ 0.0014523200000000, -0.0005687000000000, 0.0006415800000000 ] - [ 0.0012844000000000, -0.0006453000000000, 0.0007181700000000 ] - [ 0.0014523200000000, 0.0005687000000000, 0.0006415800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017598100000000, -0.0001417700000000, -0.0013018600000000 ] - [ 0.0005379300000000, -0.0000172800000000, -0.0000178600000000 ] - [ 0.0005132500000000, 0.0001190300000000, 0.0000349200000000 ] - [ 0.0005113000000000, 0.0000352300000000, 0.0000378200000000 ] - [ -0.0007323600000000, -0.0001397600000000, 0.0013676000000000 ] - [ 0.0004837900000000, -0.0000171200000000, 0.0000950000000000 ] - [ -0.0005050700000000, 0.0000753000000000, -0.0000412300000000 ] - [ -0.0005123000000000, -0.0000486700000000, -0.0000356400000000 ] - [ -0.0005285000000000, 0.0000516500000000, -0.0000306400000000 ] - [ -0.0005290900000000, 0.0000327000000000, 0.0000172400000000 ] - [ -0.0004931400000000, 0.0000522900000000, -0.0000453100000000 ] - [ -0.0004951700000000, 0.0000331300000000, -0.0000885900000000 ] - [ 0.0019306200000000, 0.0000391800000000, 0.0024277600000000 ] - [ 0.0004178100000000, -0.0000324700000000, -0.0001865500000000 ] - [ 0.0005128100000000, 0.0001381200000000, -0.0000350500000000 ] - [ 0.0005108700000000, 0.0000783300000000, -0.0000383700000000 ] - [ -0.0009096800000000, 0.0000408100000000, -0.0024979900000000 ] - [ 0.0006043800000000, -0.0000322000000000, 0.0001107700000000 ] - [ -0.0005125600000000, -0.0003471700000000, 0.0000399300000000 ] - [ -0.0005122400000000, -0.0000345900000000, 0.0000356800000000 ] - [ 0.0007073900000000, 0.0005199900000000, 0.0009430600000000 ] - [ -0.0004759600000000, 0.0000177200000000, 0.0000954900000000 ] - [ -0.0017175100000000, 0.0005170100000000, -0.0008557400000000 ] - [ -0.0005484400000000, 0.0000179300000000, -0.0000237700000000 ] - [ -0.0017455000000000, -0.0003087500000000, 0.0013062800000000 ] - [ -0.0013137900000000, -0.0000271100000000, 0.0001161700000000 ] - [ -0.0012786900000000, 0.0007061100000000, 0.0000690600000000 ] - [ -0.0012749900000000, 0.0000548600000000, 0.0000680100000000 ] - [ -0.0008181700000000, -0.0002999000000000, -0.0011655200000000 ] - [ -0.0012339400000000, -0.0000268400000000, 0.0000172000000000 ] - [ 0.0012759700000000, -0.0006759800000000, -0.0000742200000000 ] - [ 0.0012779800000000, -0.0000710100000000, -0.0000687900000000 ] - [ 0.0011401500000000, 0.0003591500000000, 0.0000540000000000 ] - [ 0.0013347200000000, 0.0000324600000000, -0.0001073100000000 ] - [ 0.0014070500000000, 0.0003620500000000, -0.0001889900000000 ] - [ 0.0012201600000000, 0.0000325800000000, -0.0000291200000000 ] - [ -0.0022945600000000, -0.0003331300000000, -0.0014986800000000 ] - [ -0.0009952400000000, -0.0001838300000000, -0.0000418100000000 ] - [ -0.0012781900000000, 0.0005546800000000, -0.0000695200000000 ] - [ -0.0012733000000000, 0.0004052500000000, -0.0000656300000000 ] - [ -0.0002497300000000, -0.0003234800000000, 0.0013595300000000 ] - [ -0.0015544400000000, -0.0001825400000000, -0.0000926400000000 ] - [ -0.0005817100000000, -0.0004244500000000, -0.0004624700000000 ] - [ -0.0005875000000000, -0.0002179500000000, -0.0004757200000000 ] - [ -0.0009866600000000, 0.0002744900000000, -0.0006665700000000 ] - [ -0.0004527400000000, 0.0001314900000000, -0.0005045700000000 ] - [ -0.0001923000000000, 0.0002766100000000, -0.0002842000000000 ] - [ -0.0007187400000000, 0.0001335600000000, -0.0004489000000000 ] - [ -0.0028025700000000, 0.0006440000000000, 0.0008899400000000 ] - [ 0.0007254900000000, -0.0000295700000000, -0.0003865600000000 ] - [ 0.0005864000000000, 0.0008544600000000, -0.0004747200000000 ] - [ 0.0005897300000000, 0.0000550900000000, -0.0004749300000000 ] - [ 0.0039708800000000, 0.0006612500000000, -0.0018365600000000 ] - [ 0.0004535800000000, -0.0000293900000000, -0.0005633100000000 ] - [ -0.0005928200000000, -0.0011513800000000, 0.0004750700000000 ] - [ -0.0005869100000000, -0.0000428800000000, 0.0004760600000000 ] - [ -0.0010214300000000, 0.0004647100000000, -0.0003440900000000 ] - [ -0.0006528400000000, 0.0000219200000000, 0.0004369800000000 ] - [ -0.0001628400000000, 0.0004667200000000, 0.0012854100000000 ] - [ -0.0005210700000000, 0.0000221200000000, 0.0005152200000000 ] - [ 0.0028056000000000, 0.0003684400000000, 0.0030176200000000 ] - [ 0.0004716700000000, -0.0000836400000000, 0.0005003600000000 ] - [ 0.0005887600000000, 0.0008393800000000, 0.0004783900000000 ] - [ 0.0005897500000000, 0.0001676800000000, 0.0004748400000000 ] - [ -0.0016222400000000, 0.0003797000000000, -0.0020497300000000 ] - [ 0.0007075100000000, -0.0000828900000000, 0.0004504900000000 ] - [ 0.0012716800000000, -0.0026856300000000, 0.0000726700000000 ] - [ 0.0012786500000000, -0.0001858000000000, 0.0000690800000000 ] - [ 0.0030252000000000, 0.0026404700000000, -0.0015614300000000 ] - [ 0.0011578900000000, 0.0000937200000000, 0.0000150700000000 ] - [ -0.0004564200000000, 0.0026158700000000, 0.0016796500000000 ] - [ 0.0013976000000000, 0.0000949400000000, 0.0001228100000000 ] - [ 0.0001782600000000, -0.0424524500000000, -0.0000228600000000 ] - [ 0.0006946000000000, -0.0000531300000000, -0.0003700700000000 ] - [ 0.0001953600000000, 0.0022446200000000, 0.0000305800000000 ] - [ 0.0007063700000000, 0.0000277800000000, -0.0003728200000000 ] - [ 0.0011822000000000, 0.0022304200000000, -0.0007657100000000 ] - [ 0.0006828700000000, 0.0000280300000000, -0.0003672900000000 ] - [ 0.0006943000000000, -0.0004234100000000, 0.0003705700000000 ] - [ 0.0006933900000000, -0.0004233400000000, 0.0003704400000000 ] - [ 0.0005136500000000, 0.0002314900000000, 0.0004605700000000 ] - [ 0.0010087800000000, 0.0002320600000000, 0.0005281800000000 ] - [ 0.0008738700000000, 0.0002333300000000, 0.0002796700000000 ] - [ 0.0003791000000000, 0.0002326700000000, 0.0002126900000000 ] - [ -0.0030905000000000, 0.0021324700000000, -0.0038953400000000 ] - [ -0.0006899000000000, -0.0000280400000000, 0.0003644000000000 ] - [ -0.0006961600000000, 0.0008713000000000, 0.0003694700000000 ] - [ -0.0006924300000000, 0.0000565300000000, 0.0003699700000000 ] - [ 0.0016754600000000, 0.0021313000000000, 0.0045898200000000 ] - [ -0.0006949300000000, -0.0000277100000000, 0.0003757700000000 ] - [ -0.0005518000000000, -0.0002247100000000, -0.0002973600000000 ] - [ -0.0008934100000000, -0.0000724100000000, -0.0003804200000000 ] - [ -0.0006924700000000, 0.0004614600000000, -0.0003709300000000 ] - [ -0.0006928600000000, 0.0001544900000000, -0.0003699400000000 ] - [ -0.0008339900000000, -0.0002229700000000, -0.0004430200000000 ] - [ -0.0004899500000000, -0.0000708400000000, -0.0003587500000000 ] - [ 0.0040553100000000, 0.0126901800000000, -0.0048549300000000 ] - [ -0.0005225800000000, 0.0000526300000000, -0.0004956600000000 ] - [ -0.0005704200000000, -0.0026949100000000, -0.0005138300000000 ] - [ -0.0005726700000000, -0.0001039500000000, -0.0005129100000000 ] - [ -0.0047116600000000, 0.0120655900000000, 0.0035032500000000 ] - [ -0.0006232600000000, 0.0000519900000000, -0.0005298900000000 ] - [ 0.0005732900000000, 0.0014418700000000, -0.0005128900000000 ] - [ 0.0005698300000000, 0.0001936700000000, -0.0005133500000000 ] - [ 0.0002109100000000, -0.0007144600000000, -0.0005505700000000 ] - [ 0.0007040600000000, -0.0000955300000000, -0.0005127800000000 ] - [ 0.0009326000000000, -0.0007171400000000, -0.0004712500000000 ] - [ 0.0004374500000000, -0.0000968900000000, -0.0005130700000000 ] - [ -0.0001118500000000, 0.0003351100000000, -0.0000338000000000 ] - [ -0.0008388800000000, 0.0001578800000000, 0.0004080600000000 ] - [ -0.0005706000000000, -0.0006626700000000, 0.0005132200000000 ] - [ -0.0005725600000000, -0.0003110600000000, 0.0005131500000000 ] - [ -0.0010353100000000, 0.0003277500000000, 0.0010604800000000 ] - [ -0.0003056300000000, 0.0001571600000000, 0.0006183100000000 ] - [ 0.0005801800000000, 0.0052100300000000, 0.0005077200000000 ] - [ 0.0005704200000000, 0.0001709700000000, 0.0005134200000000 ] - [ 0.0019688500000000, -0.0018886000000000, 0.0007434700000000 ] - [ 0.0004712500000000, -0.0000844700000000, 0.0005151700000000 ] - [ -0.0008104300000000, -0.0018907100000000, 0.0002838000000000 ] - [ 0.0006690100000000, -0.0000848200000000, 0.0005109200000000 ] - [ -0.0005075300000000, 0.0005883500000000, 0.0015134300000000 ] - [ -0.0005664200000000, 0.0000544500000000, 0.0006407300000000 ] - [ -0.0005676700000000, -0.0012334700000000, 0.0006545000000000 ] - [ -0.0005736500000000, -0.0001079900000000, 0.0006525700000000 ] - [ -0.0006268800000000, 0.0005770300000000, -0.0002027500000000 ] - [ -0.0005813200000000, 0.0000538000000000, 0.0006644500000000 ] - [ 0.0005771700000000, 0.0050924800000000, -0.0006555400000000 ] - [ 0.0005705900000000, 0.0001407600000000, -0.0006523600000000 ] - [ 0.0008199900000000, -0.0015435500000000, -0.0016657800000000 ] - [ 0.0005358600000000, -0.0000695200000000, -0.0006462100000000 ] - [ 0.0003345600000000, -0.0015453100000000, 0.0003522100000000 ] - [ 0.0006051300000000, -0.0000704900000000, -0.0006586800000000 ] - [ -0.0001963200000000, 0.0002276000000000, -0.0003621400000000 ] - [ -0.0011479300000000, 0.0005181100000000, -0.0004296300000000 ] - [ -0.0005717800000000, -0.0004554500000000, -0.0006522000000000 ] - [ -0.0005759300000000, -0.0010082000000000, -0.0006516900000000 ] - [ -0.0009534200000000, 0.0002211200000000, -0.0009434100000000 ] - [ -0.0000010800000000, 0.0005119600000000, -0.0008725900000000 ] - [ 0.0005748200000000, 0.0017302200000000, 0.0006526800000000 ] - [ 0.0005689900000000, 0.0007771300000000, 0.0006536000000000 ] - [ -0.0003069800000000, -0.0008625700000000, 0.0004011200000000 ] - [ 0.0009762500000000, -0.0004070800000000, 0.0006715400000000 ] - [ 0.0014459300000000, -0.0008627200000000, 0.0008980400000000 ] - [ 0.0001655000000000, -0.0004102400000000, 0.0006338700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000367300000000, 0.0000397900000000, 0.0005084600000000 ] - [ 0.0005708500000000, 0.0000055200000000, -0.0000598600000000 ] - [ 0.0003908600000000, 0.0000000000000000, 0.0002081000000000 ] - [ 0.0005500600000000, 0.0000000000000000, -0.0000263300000000 ] - [ 0.0000367300000000, -0.0000397900000000, 0.0005084600000000 ] - [ 0.0005708500000000, -0.0000055200000000, -0.0000598600000000 ] - [ 0.0006071700000000, 0.0000000000000000, -0.0009072500000000 ] - [ -0.0003848200000000, 0.0000000000000000, -0.0002749500000000 ] - [ -0.0003444700000000, 0.0000528500000000, -0.0002230700000000 ] - [ -0.0004024700000000, -0.0000111300000000, -0.0002250800000000 ] - [ -0.0003444700000000, -0.0000528500000000, -0.0002230700000000 ] - [ -0.0004024700000000, 0.0000111300000000, -0.0002250800000000 ] - [ 0.0024128100000000, 0.0002374700000000, 0.0026500200000000 ] - [ 0.0005316300000000, -0.0000105000000000, 0.0000032300000000 ] - [ 0.0007791700000000, 0.0000000000000000, 0.0002502900000000 ] - [ 0.0005160500000000, 0.0000000000000000, -0.0000534900000000 ] - [ 0.0024128100000000, -0.0002374700000000, 0.0026500200000000 ] - [ 0.0005316300000000, 0.0000105000000000, 0.0000032300000000 ] - [ -0.0008322200000000, 0.0000000000000000, -0.0000347800000000 ] - [ -0.0004740700000000, 0.0000000000000000, 0.0000995300000000 ] - [ -0.0010774800000000, -0.0000827800000000, -0.0004111900000000 ] - [ -0.0004879400000000, 0.0000042200000000, 0.0000777600000000 ] - [ -0.0010774800000000, 0.0000827800000000, -0.0004111900000000 ] - [ -0.0004879400000000, -0.0000042200000000, 0.0000777600000000 ] - [ 0.0002176900000000, 0.0012233700000000, 0.0010435900000000 ] - [ -0.0013878900000000, 0.0000035200000000, 0.0001257400000000 ] - [ -0.0011017000000000, 0.0000000000000000, 0.0001704000000000 ] - [ -0.0013590100000000, 0.0000000000000000, 0.0001019200000000 ] - [ 0.0002176900000000, -0.0012233700000000, 0.0010435900000000 ] - [ -0.0013878900000000, -0.0000035200000000, 0.0001257400000000 ] - [ -0.0009418200000000, 0.0000000000000000, 0.0046045100000000 ] - [ 0.0011175400000000, 0.0000000000000000, 0.0001509800000000 ] - [ 0.0013659100000000, 0.0001282900000000, 0.0003969500000000 ] - [ 0.0011528000000000, 0.0000025900000000, 0.0001027500000000 ] - [ 0.0013659100000000, -0.0001282900000000, 0.0003969500000000 ] - [ 0.0011528000000000, -0.0000025900000000, 0.0001027500000000 ] - [ -0.0016715800000000, -0.0007987900000000, -0.0024418400000000 ] - [ -0.0013110300000000, -0.0000374400000000, -0.0003448700000000 ] - [ -0.0012096800000000, 0.0000000000000000, -0.0003976900000000 ] - [ -0.0012406700000000, 0.0000000000000000, -0.0002523800000000 ] - [ -0.0016715800000000, 0.0007987900000000, -0.0024418400000000 ] - [ -0.0013110300000000, 0.0000374400000000, -0.0003448700000000 ] - [ -0.0007037500000000, 0.0000000000000000, 0.0024254300000000 ] - [ -0.0009917600000000, 0.0000000000000000, -0.0002939600000000 ] - [ -0.0004523400000000, -0.0000736100000000, -0.0002237700000000 ] - [ -0.0008789200000000, -0.0000583400000000, -0.0003357300000000 ] - [ -0.0004523400000000, 0.0000736100000000, -0.0002237700000000 ] - [ -0.0008789200000000, 0.0000583400000000, -0.0003357300000000 ] - [ -0.0028277300000000, 0.0024694100000000, -0.0012456500000000 ] - [ 0.0005191300000000, -0.0000025100000000, -0.0005359100000000 ] - [ 0.0004555700000000, 0.0000000000000000, -0.0006944400000000 ] - [ 0.0005504800000000, 0.0000000000000000, -0.0004892300000000 ] - [ -0.0028277300000000, -0.0024694100000000, -0.0012456500000000 ] - [ 0.0005191300000000, 0.0000025100000000, -0.0005359100000000 ] - [ -0.0013739500000000, 0.0000000000000000, 0.0024421200000000 ] - [ -0.0007014100000000, 0.0000000000000000, 0.0004484700000000 ] - [ -0.0004589500000000, -0.0001867400000000, 0.0012668300000000 ] - [ -0.0006701800000000, 0.0000048200000000, 0.0004614200000000 ] - [ -0.0004589500000000, 0.0001867400000000, 0.0012668300000000 ] - [ -0.0006701800000000, -0.0000048200000000, 0.0004614200000000 ] - [ 0.0018281600000000, 0.0012240500000000, -0.0007404200000000 ] - [ 0.0004563200000000, 0.0000338900000000, 0.0005033500000000 ] - [ 0.0005490700000000, 0.0000000000000000, 0.0001428900000000 ] - [ 0.0005151200000000, 0.0000000000000000, 0.0004869900000000 ] - [ 0.0018281600000000, -0.0012240500000000, -0.0007404200000000 ] - [ 0.0004563200000000, -0.0000338900000000, 0.0005033500000000 ] - [ -0.0007899700000000, 0.0000000000000000, 0.0007446500000000 ] - [ 0.0011853000000000, 0.0000000000000000, -0.0000069900000000 ] - [ 0.0006017300000000, -0.0009205100000000, 0.0006755400000000 ] - [ 0.0012290500000000, 0.0000349800000000, 0.0000186200000000 ] - [ 0.0006017300000000, 0.0009205100000000, 0.0006755400000000 ] - [ 0.0012290500000000, -0.0000349800000000, 0.0000186200000000 ] - [ 0.0052203700000000, 0.0000000000000000, -0.0413147000000000 ] - [ 0.0006309300000000, 0.0000000000000000, -0.0003693500000000 ] - [ 0.0010949400000000, -0.0004018800000000, -0.0011779100000000 ] - [ 0.0006413000000000, 0.0000027200000000, -0.0003703700000000 ] - [ 0.0010949400000000, 0.0004018800000000, -0.0011779100000000 ] - [ 0.0006413000000000, -0.0000027200000000, -0.0003703700000000 ] - [ 0.0004546100000000, 0.0000000000000000, 0.0004505000000000 ] - [ 0.0007670100000000, 0.0000000000000000, 0.0004508100000000 ] - [ 0.0005373600000000, 0.0001581000000000, 0.0004479900000000 ] - [ 0.0008362400000000, 0.0000904000000000, 0.0004480000000000 ] - [ 0.0005373600000000, -0.0001581000000000, 0.0004479900000000 ] - [ 0.0008362400000000, -0.0000904000000000, 0.0004480000000000 ] - [ 0.0012391900000000, -0.0042199800000000, 0.0032974400000000 ] - [ -0.0007594900000000, -0.0000057400000000, 0.0003558800000000 ] - [ -0.0005777600000000, 0.0000000000000000, 0.0003819200000000 ] - [ -0.0007503300000000, 0.0000000000000000, 0.0003544300000000 ] - [ 0.0012391900000000, 0.0042199800000000, 0.0032974400000000 ] - [ -0.0007594900000000, 0.0000057400000000, 0.0003558800000000 ] - [ -0.0006408700000000, -0.0000723300000000, 0.0000264600000000 ] - [ -0.0007870400000000, 0.0000110800000000, -0.0003025800000000 ] - [ -0.0006247100000000, 0.0000000000000000, -0.0001232100000000 ] - [ -0.0006893400000000, 0.0000000000000000, -0.0003229300000000 ] - [ -0.0006408700000000, 0.0000723300000000, 0.0000264600000000 ] - [ -0.0007870400000000, -0.0000110800000000, -0.0003025800000000 ] - [ -0.0020933000000000, -0.0034920700000000, 0.0059008000000000 ] - [ -0.0004726000000000, -0.0000127500000000, -0.0004965600000000 ] - [ -0.0006000000000000, 0.0000000000000000, -0.0000857300000000 ] - [ -0.0005046700000000, 0.0000000000000000, -0.0005029400000000 ] - [ -0.0020933000000000, 0.0034920700000000, 0.0059008000000000 ] - [ -0.0004726000000000, 0.0000127500000000, -0.0004965600000000 ] - [ 0.0001223100000000, 0.0000000000000000, -0.0020080600000000 ] - [ 0.0007265600000000, 0.0000000000000000, -0.0005639900000000 ] - [ 0.0004194100000000, -0.0003375800000000, -0.0012194500000000 ] - [ 0.0006696400000000, -0.0000407000000000, -0.0005519900000000 ] - [ 0.0004194100000000, 0.0003375800000000, -0.0012194500000000 ] - [ 0.0006696400000000, 0.0000407000000000, -0.0005519900000000 ] - [ 0.0000571000000000, -0.0003894400000000, -0.0001370400000000 ] - [ -0.0006928200000000, 0.0000285900000000, 0.0003471400000000 ] - [ -0.0005800800000000, 0.0000000000000000, 0.0003319700000000 ] - [ -0.0006453900000000, 0.0000000000000000, 0.0004036400000000 ] - [ 0.0000571000000000, 0.0003894400000000, -0.0001370400000000 ] - [ -0.0006928200000000, -0.0000285900000000, 0.0003471400000000 ] - [ 0.0032896200000000, 0.0000000000000000, 0.0060181900000000 ] - [ 0.0007302000000000, 0.0000000000000000, 0.0006036700000000 ] - [ -0.0004402000000000, 0.0007857500000000, 0.0012268200000000 ] - [ 0.0006756600000000, 0.0000160300000000, 0.0005853300000000 ] - [ -0.0004402000000000, -0.0007857500000000, 0.0012268200000000 ] - [ 0.0006756600000000, -0.0000160300000000, 0.0005853300000000 ] - [ -0.0008921700000000, 0.0001938900000000, -0.0019813400000000 ] - [ -0.0004213900000000, 0.0000021500000000, 0.0006436500000000 ] - [ -0.0008322000000000, 0.0000000000000000, 0.0001849100000000 ] - [ -0.0004434000000000, 0.0000000000000000, 0.0006473500000000 ] - [ -0.0008921700000000, -0.0001938900000000, -0.0019813400000000 ] - [ -0.0004213900000000, -0.0000021500000000, 0.0006436500000000 ] - [ -0.0013621900000000, 0.0000000000000000, 0.0111301900000000 ] - [ 0.0006854400000000, 0.0000000000000000, -0.0006859100000000 ] - [ 0.0005592700000000, -0.0011049000000000, -0.0007024400000000 ] - [ 0.0006650400000000, 0.0000023200000000, -0.0006802300000000 ] - [ 0.0005592700000000, 0.0011049000000000, -0.0007024400000000 ] - [ 0.0006650400000000, -0.0000023200000000, -0.0006802300000000 ] - [ -0.0006820900000000, -0.0000023800000000, -0.0005393700000000 ] - [ 0.0001792000000000, 0.0003714500000000, -0.0008042100000000 ] - [ -0.0006323200000000, 0.0000000000000000, -0.0006206700000000 ] - [ -0.0002126500000000, 0.0000000000000000, -0.0006976200000000 ] - [ -0.0006820900000000, 0.0000023800000000, -0.0005393700000000 ] - [ 0.0001792000000000, -0.0003714500000000, -0.0008042100000000 ] - [ 0.0001382500000000, 0.0000000000000000, 0.0018709900000000 ] - [ 0.0008350400000000, 0.0000000000000000, 0.0008302300000000 ] - [ 0.0004377300000000, -0.0002895000000000, 0.0012727400000000 ] - [ 0.0007896700000000, -0.0001640900000000, 0.0007601500000000 ] - [ 0.0004377300000000, 0.0002895000000000, 0.0012727400000000 ] - [ 0.0007896700000000, 0.0001640900000000, 0.0007601500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009625100000000, -0.0000417300000000, -0.0004096800000000 ] - [ 0.0004518600000000, -0.0000054700000000, 0.0001355100000000 ] - [ 0.0006285300000000, 0.0000000000000000, -0.0001285500000000 ] - [ 0.0004724200000000, 0.0000000000000000, 0.0001012800000000 ] - [ 0.0009625100000000, 0.0000417300000000, -0.0004096800000000 ] - [ 0.0004518600000000, 0.0000054700000000, 0.0001355100000000 ] - [ -0.0016160500000000, 0.0000000000000000, 0.0008245000000000 ] - [ -0.0006373400000000, 0.0000000000000000, 0.0001992900000000 ] - [ -0.0006774300000000, -0.0000526100000000, 0.0001473900000000 ] - [ -0.0006186700000000, 0.0000112200000000, 0.0001475400000000 ] - [ -0.0006774300000000, 0.0000526100000000, 0.0001473900000000 ] - [ -0.0006186700000000, -0.0000112200000000, 0.0001475400000000 ] - [ -0.0013923800000000, -0.0002347100000000, -0.0027300500000000 ] - [ 0.0004905900000000, 0.0000105500000000, -0.0000781100000000 ] - [ 0.0002434000000000, 0.0000000000000000, -0.0003247500000000 ] - [ 0.0005071100000000, 0.0000000000000000, -0.0000204400000000 ] - [ -0.0013923800000000, 0.0002347100000000, -0.0027300500000000 ] - [ 0.0004905900000000, -0.0000105500000000, -0.0000781100000000 ] - [ -0.0002101500000000, 0.0000000000000000, 0.0000884600000000 ] - [ -0.0005468500000000, 0.0000000000000000, -0.0000211100000000 ] - [ 0.0000452000000000, 0.0000802200000000, 0.0004791800000000 ] - [ -0.0005346100000000, -0.0000041600000000, -0.0000015700000000 ] - [ 0.0000452000000000, -0.0000802200000000, 0.0004791800000000 ] - [ -0.0005346100000000, 0.0000041600000000, -0.0000015700000000 ] - [ -0.0027428500000000, -0.0012048200000000, -0.0009158700000000 ] - [ -0.0011585000000000, -0.0000033900000000, 0.0000014300000000 ] - [ -0.0014484500000000, 0.0000000000000000, -0.0000364700000000 ] - [ -0.0011937300000000, 0.0000000000000000, 0.0000330600000000 ] - [ -0.0027428500000000, 0.0012048200000000, -0.0009158700000000 ] - [ -0.0011585000000000, 0.0000033900000000, 0.0000014300000000 ] - [ 0.0034544600000000, 0.0000000000000000, -0.0046727200000000 ] - [ 0.0014340200000000, 0.0000000000000000, -0.0002853800000000 ] - [ 0.0011812200000000, -0.0001256600000000, -0.0005252700000000 ] - [ 0.0013912500000000, -0.0000024400000000, -0.0002280200000000 ] - [ 0.0011812200000000, 0.0001256600000000, -0.0005252700000000 ] - [ 0.0013912500000000, 0.0000024400000000, -0.0002280200000000 ] - [ -0.0008786800000000, 0.0007983300000000, 0.0023100300000000 ] - [ -0.0012399000000000, 0.0000377500000000, 0.0002122800000000 ] - [ -0.0013444200000000, 0.0000000000000000, 0.0002609800000000 ] - [ -0.0013061000000000, 0.0000000000000000, 0.0001252400000000 ] - [ -0.0008786800000000, -0.0007983300000000, 0.0023100300000000 ] - [ -0.0012399000000000, -0.0000377500000000, 0.0002122800000000 ] - [ -0.0004793400000000, 0.0000000000000000, -0.0033470700000000 ] - [ -0.0001858200000000, 0.0000000000000000, -0.0006559500000000 ] - [ -0.0007237700000000, 0.0000748000000000, -0.0007266600000000 ] - [ -0.0002973100000000, 0.0000587800000000, -0.0006161000000000 ] - [ -0.0007237700000000, -0.0000748000000000, -0.0007266600000000 ] - [ -0.0002973100000000, -0.0000587800000000, -0.0006161000000000 ] - [ 0.0040012400000000, -0.0024561700000000, 0.0002743700000000 ] - [ 0.0006538700000000, 0.0000026000000000, -0.0004178800000000 ] - [ 0.0007212500000000, 0.0000000000000000, -0.0002573400000000 ] - [ 0.0006225100000000, 0.0000000000000000, -0.0004646400000000 ] - [ 0.0040012400000000, 0.0024561700000000, 0.0002743700000000 ] - [ 0.0006538700000000, -0.0000026000000000, -0.0004178800000000 ] - [ 0.0002186500000000, 0.0000000000000000, -0.0014884200000000 ] - [ -0.0004755700000000, 0.0000000000000000, 0.0005033100000000 ] - [ -0.0007097500000000, 0.0001896500000000, -0.0003064000000000 ] - [ -0.0005064500000000, -0.0000047200000000, 0.0004905100000000 ] - [ -0.0007097500000000, -0.0001896500000000, -0.0003064000000000 ] - [ -0.0005064500000000, 0.0000047200000000, 0.0004905100000000 ] - [ -0.0006451500000000, -0.0012274000000000, 0.0016652800000000 ] - [ 0.0007164100000000, -0.0000338500000000, 0.0004514100000000 ] - [ 0.0006264500000000, 0.0000000000000000, 0.0008065100000000 ] - [ 0.0006603600000000, 0.0000000000000000, 0.0004648500000000 ] - [ -0.0006451500000000, 0.0012274000000000, 0.0016652800000000 ] - [ 0.0007164100000000, 0.0000338500000000, 0.0004514100000000 ] - [ 0.0033440600000000, 0.0000000000000000, -0.0005841900000000 ] - [ 0.0013621200000000, 0.0000000000000000, 0.0001390700000000 ] - [ 0.0019388700000000, 0.0009103100000000, -0.0005385300000000 ] - [ 0.0013202100000000, -0.0000345800000000, 0.0001146200000000 ] - [ 0.0019388700000000, -0.0009103100000000, -0.0005385300000000 ] - [ 0.0013202100000000, 0.0000345800000000, 0.0001146200000000 ] - [ -0.0033405500000000, 0.0000000000000000, 0.0395836600000000 ] - [ 0.0007555300000000, 0.0000000000000000, -0.0003704700000000 ] - [ 0.0002953300000000, 0.0003943200000000, 0.0004347700000000 ] - [ 0.0007448100000000, -0.0000026200000000, -0.0003695200000000 ] - [ 0.0002953300000000, -0.0003943200000000, 0.0004347700000000 ] - [ 0.0007448100000000, 0.0000026200000000, -0.0003695200000000 ] - [ 0.0009298000000000, 0.0000000000000000, 0.0002894700000000 ] - [ 0.0006198800000000, 0.0000000000000000, 0.0002899200000000 ] - [ 0.0008481000000000, -0.0001575100000000, 0.0002924900000000 ] - [ 0.0005498800000000, -0.0000903200000000, 0.0002923700000000 ] - [ 0.0008481000000000, 0.0001575100000000, 0.0002924900000000 ] - [ 0.0005498800000000, 0.0000903200000000, 0.0002923700000000 ] - [ -0.0026446300000000, 0.0042652400000000, -0.0025665100000000 ] - [ -0.0006283300000000, 0.0000059000000000, 0.0003852600000000 ] - [ -0.0008071500000000, 0.0000000000000000, 0.0003604400000000 ] - [ -0.0006375100000000, 0.0000000000000000, 0.0003864900000000 ] - [ -0.0026446300000000, -0.0042652400000000, -0.0025665100000000 ] - [ -0.0006283300000000, -0.0000059000000000, 0.0003852600000000 ] - [ -0.0007434600000000, 0.0000735500000000, -0.0007657300000000 ] - [ -0.0005996800000000, -0.0000106600000000, -0.0004381400000000 ] - [ -0.0007608400000000, 0.0000000000000000, -0.0006149900000000 ] - [ -0.0006971500000000, 0.0000000000000000, -0.0004173200000000 ] - [ -0.0007434600000000, -0.0000735500000000, -0.0007657300000000 ] - [ -0.0005996800000000, 0.0000106600000000, -0.0004381400000000 ] - [ 0.0010340600000000, 0.0036140400000000, -0.0069198600000000 ] - [ -0.0006695200000000, 0.0000125700000000, -0.0005272800000000 ] - [ -0.0005447300000000, 0.0000000000000000, -0.0009372400000000 ] - [ -0.0006375400000000, 0.0000000000000000, -0.0005211800000000 ] - [ 0.0010340600000000, -0.0036140400000000, -0.0069198600000000 ] - [ -0.0006695200000000, -0.0000125700000000, -0.0005272800000000 ] - [ 0.0010109500000000, 0.0000000000000000, 0.0009820600000000 ] - [ 0.0004181400000000, 0.0000000000000000, -0.0004596700000000 ] - [ 0.0007216000000000, 0.0003353800000000, 0.0001941100000000 ] - [ 0.0004743300000000, 0.0000408000000000, -0.0004717500000000 ] - [ 0.0007216000000000, -0.0003353800000000, 0.0001941100000000 ] - [ 0.0004743300000000, -0.0000408000000000, -0.0004717500000000 ] - [ -0.0011924400000000, 0.0003818500000000, 0.0011627400000000 ] - [ -0.0004508300000000, -0.0000292900000000, 0.0006777800000000 ] - [ -0.0005626900000000, 0.0000000000000000, 0.0006934100000000 ] - [ -0.0004975100000000, 0.0000000000000000, 0.0006207100000000 ] - [ -0.0011924400000000, -0.0003818500000000, 0.0011627400000000 ] - [ -0.0004508300000000, 0.0000292900000000, 0.0006777800000000 ] - [ -0.0024034300000000, 0.0000000000000000, -0.0050957200000000 ] - [ 0.0004132900000000, 0.0000000000000000, 0.0004215700000000 ] - [ 0.0015776500000000, -0.0007848600000000, -0.0002056100000000 ] - [ 0.0004687700000000, -0.0000167000000000, 0.0004396300000000 ] - [ 0.0015776500000000, 0.0007848600000000, -0.0002056100000000 ] - [ 0.0004687700000000, 0.0000167000000000, 0.0004396300000000 ] - [ -0.0002582900000000, -0.0002049300000000, 0.0032786900000000 ] - [ -0.0007220500000000, -0.0000023400000000, 0.0006600200000000 ] - [ -0.0003151400000000, 0.0000000000000000, 0.0011163800000000 ] - [ -0.0006996000000000, 0.0000000000000000, 0.0006561900000000 ] - [ -0.0002582900000000, 0.0002049300000000, 0.0032786900000000 ] - [ -0.0007220500000000, 0.0000023400000000, 0.0006600200000000 ] - [ 0.0022014300000000, 0.0000000000000000, -0.0114169100000000 ] - [ 0.0004597100000000, 0.0000000000000000, -0.0006164100000000 ] - [ 0.0005851100000000, 0.0011002500000000, -0.0005944000000000 ] - [ 0.0004801500000000, -0.0000017500000000, -0.0006226600000000 ] - [ 0.0005851100000000, -0.0011002500000000, -0.0005944000000000 ] - [ 0.0004801500000000, 0.0000017500000000, -0.0006226600000000 ] - [ -0.0004599300000000, 0.0000003500000000, -0.0007639900000000 ] - [ -0.0013211600000000, -0.0003731900000000, -0.0004999100000000 ] - [ -0.0005109600000000, 0.0000000000000000, -0.0006819800000000 ] - [ -0.0009288100000000, 0.0000000000000000, -0.0006071100000000 ] - [ -0.0004599300000000, -0.0000003500000000, -0.0007639900000000 ] - [ -0.0013211600000000, 0.0003731900000000, -0.0004999100000000 ] - [ 0.0010136000000000, 0.0000000000000000, -0.0005647700000000 ] - [ 0.0003094900000000, 0.0000000000000000, 0.0004730600000000 ] - [ 0.0007082400000000, 0.0002885000000000, 0.0000342800000000 ] - [ 0.0003546600000000, 0.0001639900000000, 0.0005432300000000 ] - [ 0.0007082400000000, -0.0002885000000000, 0.0000342800000000 ] - [ 0.0003546600000000, -0.0001639900000000, 0.0005432300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0041465300000000, 0.0000000000000000, 0.0064700000000000 ] - [ 0.0010196200000000, 0.0000000000000000, -0.0008719800000000 ] - [ -0.0003437400000000, -0.0001880100000000, 0.0012447900000000 ] - [ 0.0009583500000000, 0.0000137500000000, -0.0007545300000000 ] - [ -0.0003437400000000, 0.0001880100000000, 0.0012447900000000 ] - [ 0.0009583500000000, -0.0000137500000000, -0.0007545300000000 ] - [ -0.0014804700000000, 0.0000420400000000, 0.0012668200000000 ] - [ 0.0000338400000000, 0.0001093500000000, -0.0009788400000000 ] - [ -0.0014804700000000, -0.0000420400000000, 0.0012668200000000 ] - [ 0.0000338400000000, -0.0001093500000000, -0.0009788400000000 ] - [ -0.0008798400000000, 0.0000000000000000, 0.0005825900000000 ] - [ -0.0001503400000000, 0.0000000000000000, -0.0006233300000000 ] - [ 0.0014171000000000, 0.0000000000000000, 0.0017177300000000 ] - [ 0.0014023500000000, 0.0000000000000000, 0.0018810700000000 ] - [ 0.0003930400000000, 0.0001667200000000, 0.0000008400000000 ] - [ 0.0009106000000000, -0.0001359400000000, 0.0006979200000000 ] - [ 0.0003930400000000, -0.0001667200000000, 0.0000008400000000 ] - [ 0.0009106000000000, 0.0001359400000000, 0.0006979200000000 ] - [ -0.0054794000000000, -0.0040047900000000, -0.0109330400000000 ] - [ -0.0000494700000000, -0.0000201600000000, 0.0008533800000000 ] - [ -0.0054794000000000, 0.0040047900000000, -0.0109330400000000 ] - [ -0.0000494700000000, 0.0000201600000000, 0.0008533800000000 ] - [ -0.0009432600000000, 0.0000000000000000, -0.0008391300000000 ] - [ -0.0001215600000000, 0.0000000000000000, 0.0007325700000000 ] - [ 0.0056377000000000, 0.0000000000000000, -0.0055917800000000 ] - [ -0.0024603000000000, 0.0000000000000000, 0.0004964900000000 ] - [ 0.0006069300000000, 0.0000006800000000, -0.0002381300000000 ] - [ -0.0023121200000000, -0.0000321700000000, 0.0004331700000000 ] - [ 0.0006069300000000, -0.0000006800000000, -0.0002381300000000 ] - [ -0.0023121200000000, 0.0000321700000000, 0.0004331700000000 ] - [ 0.0025842900000000, -0.0003202900000000, -0.0003479800000000 ] - [ 0.0001490600000000, 0.0000790700000000, 0.0004583300000000 ] - [ 0.0025842900000000, 0.0003202900000000, -0.0003479800000000 ] - [ 0.0001490600000000, -0.0000790700000000, 0.0004583300000000 ] - [ 0.0022800000000000, 0.0000000000000000, -0.0000697900000000 ] - [ 0.0004616100000000, 0.0000000000000000, 0.0001855500000000 ] - [ -0.0036950400000000, 0.0000000000000000, -0.0002545500000000 ] - [ -0.0042250600000000, 0.0000000000000000, -0.0012091300000000 ] - [ -0.0021673700000000, 0.0008362200000000, 0.0003357100000000 ] - [ -0.0021322400000000, -0.0006966400000000, -0.0004724000000000 ] - [ -0.0021673700000000, -0.0008362200000000, 0.0003357100000000 ] - [ -0.0021322400000000, 0.0006966400000000, -0.0004724000000000 ] - [ -0.0015386800000000, -0.0006964800000000, -0.0023212100000000 ] - [ -0.0018867400000000, 0.0006500700000000, 0.0002683400000000 ] - [ -0.0015386800000000, 0.0006964800000000, -0.0023212100000000 ] - [ -0.0018867400000000, -0.0006500700000000, 0.0002683400000000 ] - [ -0.0005547500000000, 0.0000000000000000, -0.0009990800000000 ] - [ -0.0011698400000000, 0.0000000000000000, -0.0000672500000000 ] - [ -0.0019165800000000, 0.0000000000000000, 0.0016843100000000 ] - [ -0.0010091000000000, 0.0000000000000000, -0.0018117200000000 ] - [ 0.0006189300000000, 0.0007337700000000, 0.0001335200000000 ] - [ -0.0002127500000000, -0.0000989500000000, -0.0009163000000000 ] - [ 0.0006189300000000, -0.0007337700000000, 0.0001335200000000 ] - [ -0.0002127500000000, 0.0000989500000000, -0.0009163000000000 ] - [ 0.0072617100000000, -0.0007577800000000, 0.0046853400000000 ] - [ -0.0016144900000000, 0.0000097500000000, 0.0000506800000000 ] - [ 0.0072617100000000, 0.0007577800000000, 0.0046853400000000 ] - [ -0.0016144900000000, -0.0000097500000000, 0.0000506800000000 ] - [ 0.0006088200000000, 0.0000000000000000, 0.0007908100000000 ] - [ -0.0014666400000000, 0.0000000000000000, 0.0001211400000000 ] - [ 0.0114790300000000, 0.0000000000000000, 0.0065068300000000 ] - [ -0.0006385700000000, 0.0000000000000000, 0.0009643600000000 ] - [ 0.0023288800000000, -0.0010583500000000, -0.0002222000000000 ] - [ -0.0004288400000000, 0.0001019900000000, 0.0009029800000000 ] - [ 0.0023288800000000, 0.0010583500000000, -0.0002222000000000 ] - [ -0.0004288400000000, -0.0001019900000000, 0.0009029800000000 ] - [ 0.0071290600000000, 0.0020446500000000, 0.0026777500000000 ] - [ 0.0001433700000000, -0.0001329500000000, -0.0003742900000000 ] - [ 0.0071290600000000, -0.0020446500000000, 0.0026777500000000 ] - [ 0.0001433700000000, 0.0001329500000000, -0.0003742900000000 ] - [ 0.0025199200000000, 0.0000000000000000, 0.0002276300000000 ] - [ 0.0003594700000000, 0.0000000000000000, -0.0002979500000000 ] - [ 0.0090285500000000, 0.0042410900000000, -0.0018795100000000 ] - [ -0.0000609300000000, 0.0000508900000000, -0.0002717400000000 ] - [ 0.0090285500000000, -0.0042410900000000, -0.0018795100000000 ] - [ -0.0000609300000000, -0.0000508900000000, -0.0002717400000000 ] - [ 0.0017781400000000, 0.0000000000000000, -0.0003973300000000 ] - [ 0.0000608800000000, 0.0000000000000000, -0.0003036400000000 ] - [ 0.0000841600000000, -0.0002654200000000, 0.0004904500000000 ] - [ 0.0002395900000000, 0.0004612300000000, -0.0002566900000000 ] - [ 0.0000841600000000, 0.0002654200000000, 0.0004904500000000 ] - [ 0.0002395900000000, -0.0004612300000000, -0.0002566900000000 ] - [ 0.0002693100000000, 0.0000000000000000, 0.0004437200000000 ] - [ 0.0008295100000000, 0.0000000000000000, 0.0003785300000000 ] - [ 0.0114497100000000, 0.0000000000000000, 0.0029851900000000 ] - [ -0.0014845500000000, 0.0000000000000000, 0.0005291200000000 ] - [ 0.0002747000000000, 0.0013872300000000, -0.0006377800000000 ] - [ -0.0013798300000000, -0.0000996700000000, 0.0004735900000000 ] - [ 0.0002747000000000, -0.0013872300000000, -0.0006377800000000 ] - [ -0.0013798300000000, 0.0000996700000000, 0.0004735900000000 ] - [ -0.0006203900000000, 0.0000000000000000, 0.0000772200000000 ] - [ -0.0015014300000000, 0.0000000000000000, -0.0005240000000000 ] - [ -0.0005048300000000, -0.0003600500000000, -0.0002196500000000 ] - [ -0.0012312100000000, 0.0001328100000000, -0.0004675300000000 ] - [ -0.0005048300000000, 0.0003600500000000, -0.0002196500000000 ] - [ -0.0012312100000000, -0.0001328100000000, -0.0004675300000000 ] - [ -0.0757921100000000, 0.0000000000000000, -0.0058077200000000 ] - [ 0.0006432500000000, 0.0000000000000000, -0.0005707800000000 ] - [ -0.0062614700000000, -0.0013653500000000, 0.0007342400000000 ] - [ 0.0004440200000000, -0.0000109000000000, -0.0005562700000000 ] - [ -0.0062614700000000, 0.0013653500000000, 0.0007342400000000 ] - [ 0.0004440200000000, 0.0000109000000000, -0.0005562700000000 ] - [ 0.0001511300000000, -0.0012801300000000, -0.0003671500000000 ] - [ 0.0015887200000000, 0.0001033800000000, -0.0004616000000000 ] - [ 0.0001511300000000, 0.0012801300000000, -0.0003671500000000 ] - [ 0.0015887200000000, -0.0001033800000000, -0.0004616000000000 ] - [ -0.0001031200000000, 0.0000000000000000, -0.0005481700000000 ] - [ 0.0013574600000000, 0.0000000000000000, -0.0004960700000000 ] - [ 0.0001832100000000, 0.0000000000000000, -0.0001329900000000 ] - [ 0.0001783000000000, 0.0000000000000000, 0.0008405600000000 ] - [ -0.0002748300000000, -0.0004930000000000, 0.0003451700000000 ] - [ -0.0002791600000000, 0.0004420300000000, 0.0005365700000000 ] - [ -0.0002748300000000, 0.0004930000000000, 0.0003451700000000 ] - [ -0.0002791600000000, -0.0004420300000000, 0.0005365700000000 ] - [ 0.0090305200000000, 0.0071028500000000, 0.0015430300000000 ] - [ 0.0018757200000000, -0.0004447100000000, 0.0003663000000000 ] - [ 0.0090305200000000, -0.0071028500000000, 0.0015430300000000 ] - [ 0.0018757200000000, 0.0004447100000000, 0.0003663000000000 ] - [ 0.0002765000000000, 0.0000000000000000, 0.0007393200000000 ] - [ 0.0013773300000000, 0.0000000000000000, 0.0004236900000000 ] - [ -0.0046974300000000, 0.0000000000000000, 0.0085285300000000 ] - [ 0.0007719900000000, 0.0000000000000000, 0.0006527100000000 ] - [ -0.0027842200000000, 0.0000696800000000, 0.0010758500000000 ] - [ 0.0006222700000000, 0.0000824600000000, 0.0006495300000000 ] - [ -0.0027842200000000, -0.0000696800000000, 0.0010758500000000 ] - [ 0.0006222700000000, -0.0000824600000000, 0.0006495300000000 ] - [ -0.0011064200000000, 0.0013544000000000, -0.0058049800000000 ] - [ 0.0019487900000000, -0.0002413100000000, -0.0005802500000000 ] - [ -0.0011064200000000, -0.0013544000000000, -0.0058049800000000 ] - [ 0.0019487900000000, 0.0002413100000000, -0.0005802500000000 ] - [ -0.0010944300000000, 0.0000000000000000, -0.0012075400000000 ] - [ 0.0016856000000000, 0.0000000000000000, -0.0005899700000000 ] - [ 0.0012711600000000, 0.0000000000000000, -0.0000966900000000 ] - [ 0.0077483800000000, 0.0000000000000000, -0.0061496000000000 ] - [ 0.0004396800000000, -0.0004574000000000, -0.0004888000000000 ] - [ 0.0002035900000000, 0.0015777900000000, -0.0012550100000000 ] - [ 0.0004396800000000, 0.0004574000000000, -0.0004888000000000 ] - [ 0.0002035900000000, -0.0015777900000000, -0.0012550100000000 ] - [ 0.0071213200000000, -0.0069000300000000, 0.0051371000000000 ] - [ 0.0022422000000000, 0.0005362700000000, 0.0005044300000000 ] - [ 0.0071213200000000, 0.0069000300000000, 0.0051371000000000 ] - [ 0.0022422000000000, -0.0005362700000000, 0.0005044300000000 ] - [ 0.0001595500000000, 0.0000000000000000, 0.0008005000000000 ] - [ 0.0016773200000000, 0.0000000000000000, 0.0005801700000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0052107500000000, 0.0000000000000000, -0.0064530600000000 ] - [ 0.0000017500000000, 0.0000000000000000, 0.0009486300000000 ] - [ 0.0013662700000000, 0.0001870800000000, -0.0011717800000000 ] - [ 0.0000626700000000, -0.0000140400000000, 0.0008315700000000 ] - [ 0.0013662700000000, -0.0001870800000000, -0.0011717800000000 ] - [ 0.0000626700000000, 0.0000140400000000, 0.0008315700000000 ] - [ 0.0004668200000000, -0.0000418000000000, -0.0013522800000000 ] - [ -0.0010561200000000, -0.0001086000000000, 0.0009054300000000 ] - [ 0.0004668200000000, 0.0000418000000000, -0.0013522800000000 ] - [ -0.0010561200000000, 0.0001086000000000, 0.0009054300000000 ] - [ -0.0001393800000000, 0.0000000000000000, -0.0006622800000000 ] - [ -0.0008741800000000, 0.0000000000000000, 0.0005525800000000 ] - [ -0.0004004600000000, 0.0000000000000000, -0.0018069300000000 ] - [ -0.0003765900000000, 0.0000000000000000, -0.0019410800000000 ] - [ 0.0006352600000000, -0.0001679700000000, -0.0000686700000000 ] - [ 0.0001108300000000, 0.0001353000000000, -0.0007745400000000 ] - [ 0.0006352600000000, 0.0001679700000000, -0.0000686700000000 ] - [ 0.0001108300000000, -0.0001353000000000, -0.0007745400000000 ] - [ 0.0044279200000000, 0.0040115500000000, 0.0110347200000000 ] - [ -0.0009737900000000, 0.0000204000000000, -0.0007804500000000 ] - [ 0.0044279200000000, -0.0040115500000000, 0.0110347200000000 ] - [ -0.0009737900000000, -0.0000204000000000, -0.0007804500000000 ] - [ -0.0000763600000000, 0.0000000000000000, 0.0009171700000000 ] - [ -0.0009015900000000, 0.0000000000000000, -0.0006591700000000 ] - [ -0.0082329500000000, 0.0000000000000000, 0.0057545200000000 ] - [ -0.0000911400000000, 0.0000000000000000, -0.0003618300000000 ] - [ -0.0031660200000000, 0.0000021800000000, 0.0003717200000000 ] - [ -0.0002370100000000, 0.0000313400000000, -0.0003006600000000 ] - [ -0.0031660200000000, -0.0000021800000000, 0.0003717200000000 ] - [ -0.0002370100000000, -0.0000313400000000, -0.0003006600000000 ] - [ -0.0000460100000000, 0.0003213300000000, 0.0002192600000000 ] - [ 0.0024063800000000, -0.0000783400000000, -0.0005947000000000 ] - [ -0.0000460100000000, -0.0003213300000000, 0.0002192600000000 ] - [ 0.0024063800000000, 0.0000783400000000, -0.0005947000000000 ] - [ 0.0002665600000000, 0.0000000000000000, -0.0000661600000000 ] - [ 0.0020944900000000, 0.0000000000000000, -0.0003223600000000 ] - [ 0.0011545600000000, 0.0000000000000000, 0.0001196000000000 ] - [ 0.0016478000000000, 0.0000000000000000, 0.0010646800000000 ] - [ -0.0003862700000000, -0.0008428500000000, -0.0004784800000000 ] - [ -0.0004164100000000, 0.0006929900000000, 0.0003400400000000 ] - [ -0.0003862700000000, 0.0008428500000000, -0.0004784800000000 ] - [ -0.0004164100000000, -0.0006929900000000, 0.0003400400000000 ] - [ 0.0003649100000000, 0.0007004400000000, 0.0013808700000000 ] - [ 0.0007135900000000, -0.0006424600000000, -0.0012185800000000 ] - [ 0.0003649100000000, -0.0007004400000000, 0.0013808700000000 ] - [ 0.0007135900000000, 0.0006424600000000, -0.0012185800000000 ] - [ -0.0006261900000000, 0.0000000000000000, 0.0000515100000000 ] - [ 0.0000040300000000, 0.0000000000000000, -0.0008895400000000 ] - [ 0.0031089800000000, 0.0000000000000000, -0.0026580500000000 ] - [ 0.0021774400000000, 0.0000000000000000, 0.0008436700000000 ] - [ 0.0005481100000000, -0.0007349900000000, -0.0010892200000000 ] - [ 0.0013918300000000, 0.0000977500000000, -0.0000355900000000 ] - [ 0.0005481100000000, 0.0007349900000000, -0.0010892200000000 ] - [ 0.0013918300000000, -0.0000977500000000, -0.0000355900000000 ] - [ -0.0084520800000000, 0.0007392500000000, -0.0037581500000000 ] - [ 0.0004409900000000, -0.0000092700000000, 0.0009026500000000 ] - [ -0.0084520800000000, -0.0007392500000000, -0.0037581500000000 ] - [ 0.0004409900000000, 0.0000092700000000, 0.0009026500000000 ] - [ -0.0017871200000000, 0.0000000000000000, 0.0001621000000000 ] - [ 0.0002928400000000, 0.0000000000000000, 0.0008319700000000 ] - [ -0.0101042800000000, 0.0000000000000000, -0.0051306500000000 ] - [ 0.0018181800000000, 0.0000000000000000, -0.0000140400000000 ] - [ -0.0011450800000000, 0.0010585100000000, 0.0011753800000000 ] - [ 0.0016055800000000, -0.0001030400000000, 0.0000493900000000 ] - [ -0.0011450800000000, -0.0010585100000000, 0.0011753800000000 ] - [ 0.0016055800000000, 0.0001030400000000, 0.0000493900000000 ] - [ -0.0043929200000000, -0.0022478100000000, -0.0026457700000000 ] - [ 0.0024119900000000, 0.0001340100000000, 0.0005114800000000 ] - [ -0.0043929200000000, 0.0022478100000000, -0.0026457700000000 ] - [ 0.0024119900000000, -0.0001340100000000, 0.0005114800000000 ] - [ 0.0000334400000000, 0.0000000000000000, -0.0000959800000000 ] - [ 0.0021946000000000, 0.0000000000000000, 0.0004347400000000 ] - [ -0.0077989000000000, -0.0045203400000000, 0.0012490100000000 ] - [ 0.0014489000000000, -0.0000499200000000, -0.0004681200000000 ] - [ -0.0077989000000000, 0.0045203400000000, 0.0012490100000000 ] - [ 0.0014489000000000, 0.0000499200000000, -0.0004681200000000 ] - [ -0.0003966100000000, 0.0000000000000000, -0.0003416300000000 ] - [ 0.0013282100000000, 0.0000000000000000, -0.0004361200000000 ] - [ 0.0013031800000000, 0.0002678200000000, 0.0002479900000000 ] - [ 0.0011543000000000, -0.0004625700000000, 0.0009925100000000 ] - [ 0.0013031800000000, -0.0002678200000000, 0.0002479900000000 ] - [ 0.0011543000000000, 0.0004625700000000, 0.0009925100000000 ] - [ 0.0011164100000000, 0.0000000000000000, 0.0002955700000000 ] - [ 0.0005602700000000, 0.0000000000000000, 0.0003609500000000 ] - [ -0.0136205500000000, 0.0000000000000000, -0.0027168900000000 ] - [ 0.0000978700000000, 0.0000000000000000, 0.0002117800000000 ] - [ -0.0016718100000000, -0.0013919500000000, 0.0013795200000000 ] - [ -0.0000059400000000, 0.0000982800000000, 0.0002663300000000 ] - [ -0.0016718100000000, 0.0013919500000000, 0.0013795200000000 ] - [ -0.0000059400000000, -0.0000982800000000, 0.0002663300000000 ] - [ -0.0007574900000000, 0.0000000000000000, -0.0008110600000000 ] - [ 0.0001175300000000, 0.0000000000000000, -0.0002154800000000 ] - [ -0.0008762000000000, 0.0003618300000000, -0.0005213800000000 ] - [ -0.0001550200000000, -0.0001338000000000, -0.0002720000000000 ] - [ -0.0008762000000000, -0.0003618300000000, -0.0005213800000000 ] - [ -0.0001550200000000, 0.0001338000000000, -0.0002720000000000 ] - [ 0.0751456000000000, 0.0000000000000000, 0.0048864800000000 ] - [ -0.0017873100000000, 0.0000000000000000, -0.0004555300000000 ] - [ 0.0051275800000000, 0.0013229300000000, -0.0017627700000000 ] - [ -0.0015885200000000, 0.0000121600000000, -0.0004694900000000 ] - [ 0.0051275800000000, -0.0013229300000000, -0.0017627700000000 ] - [ -0.0015885200000000, -0.0000121600000000, -0.0004694900000000 ] - [ 0.0009831300000000, 0.0012891500000000, -0.0006588800000000 ] - [ -0.0004476500000000, -0.0001046300000000, -0.0005640100000000 ] - [ 0.0009831300000000, -0.0012891500000000, -0.0006588800000000 ] - [ -0.0004476500000000, 0.0001046300000000, -0.0005640100000000 ] - [ 0.0012441200000000, 0.0000000000000000, -0.0004754000000000 ] - [ -0.0002147700000000, 0.0000000000000000, -0.0005293500000000 ] - [ -0.0013261200000000, 0.0000000000000000, 0.0011644300000000 ] - [ -0.0013314500000000, 0.0000000000000000, 0.0001878200000000 ] - [ -0.0008648800000000, 0.0004964100000000, 0.0006810400000000 ] - [ -0.0008696400000000, -0.0004407900000000, 0.0004900300000000 ] - [ -0.0008648800000000, -0.0004964100000000, 0.0006810400000000 ] - [ -0.0008696400000000, 0.0004407900000000, 0.0004900300000000 ] - [ -0.0079559900000000, -0.0071843400000000, -0.0005224200000000 ] - [ -0.0007326600000000, 0.0004387200000000, 0.0006570400000000 ] - [ -0.0079559900000000, 0.0071843400000000, -0.0005224200000000 ] - [ -0.0007326600000000, -0.0004387200000000, 0.0006570400000000 ] - [ 0.0008729800000000, 0.0000000000000000, 0.0002856100000000 ] - [ -0.0002384400000000, 0.0000000000000000, 0.0006007800000000 ] - [ 0.0035957600000000, 0.0000000000000000, -0.0072570600000000 ] - [ -0.0019198500000000, 0.0000000000000000, 0.0006499300000000 ] - [ 0.0016546900000000, -0.0000736500000000, 0.0002278000000000 ] - [ -0.0017707100000000, -0.0000811900000000, 0.0006538000000000 ] - [ 0.0016546900000000, 0.0000736500000000, 0.0002278000000000 ] - [ -0.0017707100000000, 0.0000811900000000, 0.0006538000000000 ] - [ 0.0022778600000000, -0.0013592500000000, 0.0045082000000000 ] - [ -0.0008054100000000, 0.0002378500000000, -0.0007214100000000 ] - [ 0.0022778600000000, 0.0013592500000000, 0.0045082000000000 ] - [ -0.0008054100000000, -0.0002378500000000, -0.0007214100000000 ] - [ 0.0022482300000000, 0.0000000000000000, -0.0000943100000000 ] - [ -0.0005447500000000, 0.0000000000000000, -0.0007129400000000 ] - [ -0.0024214800000000, 0.0000000000000000, -0.0012108500000000 ] - [ -0.0088156600000000, 0.0000000000000000, 0.0047649600000000 ] - [ -0.0015845700000000, 0.0004594000000000, -0.0008140500000000 ] - [ -0.0013589800000000, -0.0015750700000000, -0.0000509600000000 ] - [ -0.0015845700000000, -0.0004594000000000, -0.0008140500000000 ] - [ -0.0013589800000000, 0.0015750700000000, -0.0000509600000000 ] - [ -0.0059379800000000, 0.0068243600000000, -0.0037788200000000 ] - [ -0.0011027300000000, -0.0005414100000000, 0.0007990300000000 ] - [ -0.0059379800000000, -0.0068243600000000, -0.0037788200000000 ] - [ -0.0011027300000000, 0.0005414100000000, 0.0007990300000000 ] - [ 0.0009786200000000, 0.0000000000000000, 0.0005014400000000 ] - [ -0.0005332900000000, 0.0000000000000000, 0.0007235100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005159900000000, 0.0002219800000000, 0.0000066600000000 ] - [ 0.0005115600000000, 0.0000351100000000, 0.0000369900000000 ] - [ -0.0005650200000000, -0.0002850500000000, 0.0012241400000000 ] - [ 0.0005130500000000, -0.0000173300000000, 0.0000450900000000 ] - [ 0.0015723000000000, -0.0002838800000000, -0.0011351500000000 ] - [ 0.0005093100000000, -0.0000176400000000, 0.0000302800000000 ] - [ -0.0006229300000000, 0.0000862000000000, -0.0001020100000000 ] - [ -0.0006594400000000, 0.0001124900000000, 0.0003068100000000 ] - [ -0.0003989400000000, 0.0000862700000000, 0.0000272100000000 ] - [ -0.0003639400000000, 0.0001124600000000, -0.0003801300000000 ] - [ -0.0005114600000000, -0.0001547800000000, -0.0000366500000000 ] - [ -0.0005113800000000, -0.0001986200000000, -0.0000372800000000 ] - [ 0.0005127500000000, 0.0003201400000000, -0.0000349100000000 ] - [ 0.0005104200000000, 0.0002654700000000, -0.0000390600000000 ] - [ 0.0000987300000000, -0.0001595200000000, -0.0007196400000000 ] - [ 0.0007835200000000, -0.0001359000000000, 0.0004595000000000 ] - [ 0.0009229600000000, -0.0001602100000000, 0.0006431900000000 ] - [ 0.0002401500000000, -0.0001363600000000, -0.0005322700000000 ] - [ -0.0025210500000000, 0.0080549400000000, 0.0120389400000000 ] - [ -0.0004822500000000, 0.0000192900000000, 0.0000805500000000 ] - [ 0.0016190300000000, 0.0081618100000000, -0.0121138400000000 ] - [ -0.0005409200000000, 0.0000194500000000, -0.0000067500000000 ] - [ -0.0005142700000000, -0.0005000700000000, 0.0000362100000000 ] - [ -0.0005117300000000, -0.0000387200000000, 0.0000368100000000 ] - [ -0.0012877300000000, 0.0015992400000000, 0.0000878100000000 ] - [ -0.0012765800000000, 0.0001051300000000, 0.0000688300000000 ] - [ -0.0006083800000000, -0.0008883200000000, -0.0006016000000000 ] - [ -0.0012942900000000, -0.0000525500000000, 0.0000508000000000 ] - [ -0.0019378700000000, -0.0008937900000000, 0.0007283900000000 ] - [ -0.0012562700000000, -0.0000527200000000, 0.0000831700000000 ] - [ 0.0006392400000000, 0.0005197900000000, 0.0001920400000000 ] - [ 0.0015615000000000, 0.0000671300000000, -0.0003745200000000 ] - [ 0.0019109100000000, 0.0005245100000000, -0.0003282100000000 ] - [ 0.0009921800000000, 0.0000677300000000, 0.0002371200000000 ] - [ 0.0012783900000000, -0.0010500200000000, -0.0000693400000000 ] - [ 0.0012753400000000, -0.0001437800000000, -0.0000673200000000 ] - [ -0.0012779300000000, 0.0009181500000000, -0.0000693200000000 ] - [ -0.0012726200000000, 0.0012996200000000, -0.0000666200000000 ] - [ -0.0005714400000000, -0.0004710200000000, 0.0002183200000000 ] - [ -0.0021584200000000, -0.0006416100000000, -0.0004723400000000 ] - [ -0.0019795600000000, -0.0004728600000000, -0.0003545200000000 ] - [ -0.0003966800000000, -0.0006441100000000, 0.0003368600000000 ] - [ -0.0014260800000000, 0.0002192000000000, -0.0010199300000000 ] - [ 0.0001731300000000, 0.0005260400000000, -0.0007332600000000 ] - [ 0.0002493600000000, 0.0002227200000000, 0.0000687900000000 ] - [ -0.0013481900000000, 0.0005264700000000, -0.0002180100000000 ] - [ -0.0005871600000000, -0.0004460900000000, -0.0004744700000000 ] - [ -0.0005863800000000, -0.0010209300000000, -0.0004773000000000 ] - [ 0.0005843100000000, 0.0021941300000000, -0.0004742100000000 ] - [ 0.0005883900000000, 0.0001390700000000, -0.0004757900000000 ] - [ 0.0017302000000000, -0.0010228000000000, -0.0008322700000000 ] - [ 0.0001503300000000, -0.0000702200000000, -0.0008349800000000 ] - [ -0.0005487700000000, -0.0010251900000000, -0.0001189700000000 ] - [ 0.0010255600000000, -0.0000706400000000, -0.0001168300000000 ] - [ -0.0035282600000000, -0.0010083200000000, -0.0085837800000000 ] - [ -0.0006170100000000, 0.0000361400000000, 0.0004464900000000 ] - [ 0.0023544700000000, -0.0009924700000000, 0.0095745600000000 ] - [ -0.0005595200000000, 0.0000362400000000, 0.0005042500000000 ] - [ -0.0005866300000000, -0.0019399400000000, 0.0004790000000000 ] - [ -0.0005878400000000, -0.0000725100000000, 0.0004758300000000 ] - [ 0.0005773600000000, 0.0068456000000000, 0.0004466100000000 ] - [ 0.0005885800000000, 0.0001181200000000, 0.0004751600000000 ] - [ -0.0004869200000000, -0.0022149900000000, -0.0016535600000000 ] - [ 0.0006339900000000, -0.0000588700000000, 0.0004740400000000 ] - [ 0.0016562700000000, -0.0022057600000000, 0.0025797200000000 ] - [ 0.0005421400000000, -0.0000593300000000, 0.0004779300000000 ] - [ 0.0042232000000000, 0.0029952100000000, -0.0012592800000000 ] - [ 0.0011774200000000, 0.0000888600000000, 0.0000601900000000 ] - [ -0.0015072400000000, 0.0032535400000000, 0.0012528600000000 ] - [ 0.0013759200000000, 0.0000896300000000, 0.0000769600000000 ] - [ 0.0012690400000000, -0.0030921500000000, 0.0000722900000000 ] - [ 0.0012767900000000, -0.0001786900000000, 0.0000684600000000 ] - [ 0.0054192000000000, 0.0120515300000000, -0.0037653000000000 ] - [ 0.0007611200000000, 0.0000525400000000, -0.0003827500000000 ] - [ -0.0045175200000000, 0.0127053300000000, 0.0033452600000000 ] - [ 0.0006264900000000, 0.0000527700000000, -0.0003572700000000 ] - [ 0.0006978300000000, -0.0026944000000000, -0.0003725500000000 ] - [ 0.0006937000000000, -0.0001037500000000, -0.0003697400000000 ] - [ 0.0006052600000000, 0.0001560500000000, 0.0003410800000000 ] - [ 0.0013910000000000, 0.0003282000000000, 0.0007556000000000 ] - [ 0.0007813100000000, 0.0001573100000000, 0.0003989600000000 ] - [ -0.0000030300000000, 0.0003330700000000, -0.0000157900000000 ] - [ 0.0006935900000000, -0.0003118400000000, 0.0003698900000000 ] - [ 0.0006910400000000, -0.0006637700000000, 0.0003687600000000 ] - [ -0.0006605700000000, 0.0052093100000000, 0.0003795100000000 ] - [ -0.0006934200000000, 0.0001702100000000, 0.0003700200000000 ] - [ 0.0006537000000000, -0.0018926400000000, 0.0011584400000000 ] - [ -0.0007366000000000, -0.0000854700000000, 0.0003861700000000 ] - [ -0.0020304400000000, -0.0018885400000000, -0.0004120600000000 ] - [ -0.0006503900000000, -0.0000857600000000, 0.0003535500000000 ] - [ -0.0006932000000000, 0.0014420300000000, -0.0003691800000000 ] - [ -0.0006933600000000, 0.0001938300000000, -0.0003699600000000 ] - [ -0.0011172900000000, -0.0007137200000000, -0.0000344900000000 ] - [ -0.0005383700000000, -0.0000956500000000, -0.0003291400000000 ] - [ -0.0002697500000000, -0.0007173300000000, -0.0007074700000000 ] - [ -0.0008474700000000, -0.0000962100000000, -0.0004106100000000 ] - [ -0.0003844500000000, -0.0748421600000000, -0.0005628000000000 ] - [ -0.0005717300000000, -0.0001398400000000, -0.0005130000000000 ] - [ 0.0007769300000000, 0.0145632200000000, -0.0012586700000000 ] - [ -0.0005601900000000, 0.0000696900000000, -0.0005291500000000 ] - [ -0.0019111900000000, 0.0144040400000000, 0.0002202300000000 ] - [ -0.0005833300000000, 0.0000700100000000, -0.0004970200000000 ] - [ -0.0007132400000000, -0.0012811400000000, 0.0013393800000000 ] - [ 0.0006756900000000, -0.0000890100000000, -0.0004795700000000 ] - [ 0.0018558800000000, -0.0012969100000000, -0.0023695500000000 ] - [ 0.0004674000000000, -0.0000897500000000, -0.0005465900000000 ] - [ 0.0005740400000000, 0.0023961900000000, -0.0005104400000000 ] - [ 0.0005713300000000, 0.0001788500000000, -0.0005131500000000 ] - [ -0.0005708900000000, -0.0008513300000000, 0.0005126600000000 ] - [ -0.0005734400000000, -0.0008512600000000, 0.0005122500000000 ] - [ -0.0010137700000000, 0.0004253000000000, 0.0006557000000000 ] - [ -0.0000759200000000, 0.0004250300000000, 0.0005821900000000 ] - [ -0.0001308600000000, 0.0004274800000000, 0.0003712300000000 ] - [ -0.0010655700000000, 0.0004275600000000, 0.0004456100000000 ] - [ 0.0077053000000000, -0.0003501500000000, 0.0024157500000000 ] - [ 0.0001294300000000, -0.0002622300000000, 0.0004443100000000 ] - [ -0.0065816900000000, -0.0003796500000000, -0.0014001600000000 ] - [ 0.0010129500000000, -0.0002633700000000, 0.0005816200000000 ] - [ 0.0005665700000000, 0.0023892300000000, 0.0005132900000000 ] - [ 0.0005718800000000, 0.0005307200000000, 0.0005125100000000 ] - [ -0.0005682200000000, -0.0054229700000000, 0.0006681500000000 ] - [ -0.0005728000000000, -0.0002687000000000, 0.0006520100000000 ] - [ -0.0019901900000000, 0.0025097400000000, -0.0003800100000000 ] - [ -0.0005033500000000, 0.0001335900000000, 0.0006679600000000 ] - [ 0.0008424200000000, 0.0025135600000000, 0.0016800000000000 ] - [ -0.0006423300000000, 0.0001341100000000, 0.0006368700000000 ] - [ 0.0030796200000000, -0.0005923300000000, -0.0057799000000000 ] - [ 0.0004179200000000, -0.0001709500000000, -0.0006109500000000 ] - [ -0.0019379700000000, -0.0006129100000000, 0.0044913900000000 ] - [ 0.0007263900000000, -0.0001719600000000, -0.0006933400000000 ] - [ 0.0005695200000000, 0.0021694000000000, -0.0006497900000000 ] - [ 0.0005722600000000, 0.0003424000000000, -0.0006522600000000 ] - [ -0.0005713200000000, -0.0006820600000000, -0.0006518600000000 ] - [ -0.0005904200000000, -0.0054891900000000, -0.0006427500000000 ] - [ -0.0009545800000000, 0.0003392800000000, -0.0007846500000000 ] - [ 0.0015739100000000, 0.0024819900000000, -0.0013087500000000 ] - [ -0.0001913600000000, 0.0003421500000000, -0.0005197900000000 ] - [ -0.0027112800000000, 0.0024835500000000, -0.0000014600000000 ] - [ -0.0061494200000000, 0.0007902000000000, -0.0037340800000000 ] - [ 0.0008114700000000, -0.0002710200000000, 0.0005916400000000 ] - [ 0.0073208500000000, 0.0007600900000000, 0.0050525200000000 ] - [ 0.0003332200000000, -0.0002732500000000, 0.0007127200000000 ] - [ 0.0005777600000000, 0.0022894600000000, 0.0006515400000000 ] - [ 0.0005712900000000, 0.0005421000000000, 0.0006524600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006943800000000, 0.0000000000000000, 0.0146289800000000 ] - [ 0.0004534800000000, 0.0000000000000000, 0.0001336100000000 ] - [ -0.0002181700000000, 0.0000521900000000, 0.0009027600000000 ] - [ 0.0004673300000000, -0.0000061600000000, 0.0001071300000000 ] - [ -0.0002181700000000, -0.0000521900000000, 0.0009027600000000 ] - [ 0.0004673300000000, 0.0000061600000000, 0.0001071300000000 ] - [ -0.0004957000000000, 0.0000460700000000, -0.0000762800000000 ] - [ -0.0008176500000000, -0.0000349300000000, 0.0004927400000000 ] - [ -0.0004957000000000, -0.0000460700000000, -0.0000762800000000 ] - [ -0.0008176500000000, 0.0000349300000000, 0.0004927400000000 ] - [ -0.0003685200000000, 0.0000000000000000, -0.0003349900000000 ] - [ -0.0007187900000000, 0.0000000000000000, 0.0002901500000000 ] - [ -0.0010013400000000, 0.0000000000000000, -0.0024916400000000 ] - [ 0.0007410200000000, 0.0000000000000000, 0.0003623900000000 ] - [ 0.0000161200000000, -0.0000434200000000, -0.0006844000000000 ] - [ 0.0005765900000000, -0.0000279100000000, 0.0001331700000000 ] - [ 0.0000161200000000, 0.0000434200000000, -0.0006844000000000 ] - [ 0.0005765900000000, 0.0000279100000000, 0.0001331700000000 ] - [ -0.0083778300000000, 0.0106906500000000, 0.0049294800000000 ] - [ -0.0005430900000000, 0.0000040200000000, -0.0000159400000000 ] - [ -0.0083778300000000, -0.0106906500000000, 0.0049294800000000 ] - [ -0.0005430900000000, -0.0000040200000000, -0.0000159400000000 ] - [ -0.0008590100000000, 0.0000000000000000, -0.0003267300000000 ] - [ -0.0005307600000000, 0.0000000000000000, 0.0000098900000000 ] - [ 0.0020191500000000, 0.0000000000000000, -0.0104555000000000 ] - [ -0.0011940000000000, 0.0000000000000000, -0.0000383300000000 ] - [ -0.0012085000000000, -0.0003744700000000, -0.0014112100000000 ] - [ -0.0012119000000000, -0.0000068900000000, -0.0000088200000000 ] - [ -0.0012085000000000, 0.0003744700000000, -0.0014112100000000 ] - [ -0.0012119000000000, 0.0000068900000000, -0.0000088200000000 ] - [ 0.0009387000000000, -0.0000442600000000, -0.0013873600000000 ] - [ 0.0015097600000000, 0.0000531900000000, -0.0006117100000000 ] - [ 0.0009387000000000, 0.0000442600000000, -0.0013873600000000 ] - [ 0.0015097600000000, -0.0000531900000000, -0.0006117100000000 ] - [ 0.0008037900000000, 0.0000000000000000, -0.0004370900000000 ] - [ 0.0014210700000000, 0.0000000000000000, -0.0003753400000000 ] - [ -0.0007210300000000, 0.0000000000000000, 0.0019759100000000 ] - [ -0.0019225700000000, 0.0000000000000000, 0.0010082900000000 ] - [ -0.0011513000000000, 0.0001210100000000, 0.0005599500000000 ] - [ -0.0015033200000000, -0.0002408800000000, 0.0004574000000000 ] - [ -0.0011513000000000, -0.0001210100000000, 0.0005599500000000 ] - [ -0.0015033200000000, 0.0002408800000000, 0.0004574000000000 ] - [ -0.0008508400000000, -0.0002199000000000, -0.0005819800000000 ] - [ 0.0003323300000000, -0.0002831500000000, -0.0008421800000000 ] - [ -0.0008508400000000, 0.0002199000000000, -0.0005819800000000 ] - [ 0.0003323300000000, 0.0002831500000000, -0.0008421800000000 ] - [ -0.0007178400000000, 0.0000000000000000, -0.0003025900000000 ] - [ -0.0000948700000000, 0.0000000000000000, -0.0006177000000000 ] - [ 0.0039525900000000, 0.0000000000000000, -0.0004574700000000 ] - [ 0.0004328000000000, 0.0000000000000000, -0.0005806200000000 ] - [ 0.0014245600000000, -0.0006456900000000, -0.0003788400000000 ] - [ 0.0005799300000000, -0.0000219900000000, -0.0005156900000000 ] - [ 0.0014245600000000, 0.0006456900000000, -0.0003788400000000 ] - [ 0.0005799300000000, 0.0000219900000000, -0.0005156900000000 ] - [ 0.0010798400000000, -0.0056656700000000, -0.0065186300000000 ] - [ -0.0004944100000000, 0.0000030900000000, 0.0005144900000000 ] - [ 0.0010798400000000, 0.0056656700000000, -0.0065186300000000 ] - [ -0.0004944100000000, -0.0000030900000000, 0.0005144900000000 ] - [ -0.0003741300000000, 0.0000000000000000, 0.0003589600000000 ] - [ -0.0005254100000000, 0.0000000000000000, 0.0004948200000000 ] - [ 0.0094162900000000, 0.0000000000000000, 0.0190969000000000 ] - [ 0.0007378100000000, 0.0000000000000000, 0.0004234700000000 ] - [ 0.0006826100000000, -0.0015221300000000, 0.0003416000000000 ] - [ 0.0006858300000000, -0.0000342500000000, 0.0004397800000000 ] - [ 0.0006826100000000, 0.0015221300000000, 0.0003416000000000 ] - [ 0.0006858300000000, 0.0000342500000000, 0.0004397800000000 ] - [ 0.0033298900000000, -0.0008532200000000, 0.0075027400000000 ] - [ 0.0013303200000000, 0.0000291000000000, 0.0001784100000000 ] - [ 0.0033298900000000, 0.0008532200000000, 0.0075027400000000 ] - [ 0.0013303200000000, -0.0000291000000000, 0.0001784100000000 ] - [ 0.0012357400000000, 0.0000000000000000, 0.0007967600000000 ] - [ 0.0012885600000000, 0.0000000000000000, 0.0001404500000000 ] - [ -0.0017916900000000, -0.0042304900000000, 0.0060451900000000 ] - [ 0.0007131400000000, 0.0000172800000000, -0.0003546400000000 ] - [ -0.0017916900000000, 0.0042304900000000, 0.0060451900000000 ] - [ 0.0007131400000000, -0.0000172800000000, -0.0003546400000000 ] - [ 0.0005470400000000, 0.0000000000000000, 0.0000573400000000 ] - [ 0.0007133900000000, 0.0000000000000000, -0.0003605700000000 ] - [ 0.0007868000000000, 0.0001051300000000, 0.0002044200000000 ] - [ 0.0001565700000000, 0.0005458700000000, -0.0002798400000000 ] - [ 0.0007868000000000, -0.0001051300000000, 0.0002044200000000 ] - [ 0.0001565700000000, -0.0005458700000000, -0.0002798400000000 ] - [ 0.0007230200000000, 0.0000000000000000, 0.0002612200000000 ] - [ 0.0005498200000000, 0.0000000000000000, 0.0001884500000000 ] - [ 0.0018377600000000, 0.0000000000000000, 0.0058565800000000 ] - [ -0.0006655100000000, 0.0000000000000000, 0.0004607800000000 ] - [ -0.0010306900000000, 0.0002321500000000, 0.0010818100000000 ] - [ -0.0006578200000000, 0.0000020600000000, 0.0004425100000000 ] - [ -0.0010306900000000, -0.0002321500000000, 0.0010818100000000 ] - [ -0.0006578200000000, -0.0000020600000000, 0.0004425100000000 ] - [ -0.0005862900000000, 0.0000000000000000, -0.0018642800000000 ] - [ -0.0006330700000000, 0.0000000000000000, -0.0004222800000000 ] - [ -0.0005027200000000, 0.0000379800000000, -0.0010778500000000 ] - [ -0.0007107900000000, -0.0000002000000000, -0.0004101300000000 ] - [ -0.0005027200000000, -0.0000379800000000, -0.0010778500000000 ] - [ -0.0007107900000000, 0.0000002000000000, -0.0004101300000000 ] - [ -0.0062081000000000, 0.0000000000000000, -0.0633455900000000 ] - [ -0.0006278500000000, 0.0000000000000000, -0.0005613900000000 ] - [ 0.0006708000000000, 0.0007160900000000, -0.0040390100000000 ] - [ -0.0006136800000000, 0.0000161300000000, -0.0005474400000000 ] - [ 0.0006708000000000, -0.0007160900000000, -0.0040390100000000 ] - [ -0.0006136800000000, -0.0000161300000000, -0.0005474400000000 ] - [ 0.0004340000000000, -0.0018612600000000, 0.0040573600000000 ] - [ 0.0005206000000000, -0.0000334900000000, -0.0004481600000000 ] - [ 0.0004340000000000, 0.0018612600000000, 0.0040573600000000 ] - [ 0.0005206000000000, 0.0000334900000000, -0.0004481600000000 ] - [ 0.0006080100000000, 0.0000000000000000, 0.0006491300000000 ] - [ 0.0005552200000000, 0.0000000000000000, -0.0004659500000000 ] - [ -0.0008990000000000, 0.0000000000000000, 0.0013586000000000 ] - [ 0.0000784300000000, 0.0000000000000000, 0.0013582600000000 ] - [ -0.0005948800000000, 0.0000688500000000, 0.0009085500000000 ] - [ -0.0004024100000000, 0.0001424400000000, 0.0009095600000000 ] - [ -0.0005948800000000, -0.0000688500000000, 0.0009085500000000 ] - [ -0.0004024100000000, -0.0001424400000000, 0.0009095600000000 ] - [ 0.0016249400000000, 0.0019191000000000, -0.0026878700000000 ] - [ 0.0004264000000000, -0.0000690100000000, 0.0001847400000000 ] - [ 0.0016249400000000, -0.0019191000000000, -0.0026878700000000 ] - [ 0.0004264000000000, 0.0000690100000000, 0.0001847400000000 ] - [ 0.0007994600000000, 0.0000000000000000, 0.0000360600000000 ] - [ 0.0004831100000000, 0.0000000000000000, 0.0003300000000000 ] - [ 0.0028892300000000, 0.0000000000000000, 0.0127521800000000 ] - [ -0.0007634900000000, 0.0000000000000000, 0.0006649100000000 ] - [ 0.0007209600000000, -0.0014093100000000, 0.0020523800000000 ] - [ -0.0007402300000000, -0.0000148900000000, 0.0006632000000000 ] - [ 0.0007209600000000, 0.0014093100000000, 0.0020523800000000 ] - [ -0.0007402300000000, 0.0000148900000000, 0.0006632000000000 ] - [ -0.0029805300000000, -0.0035275100000000, 0.0033599000000000 ] - [ 0.0005581000000000, -0.0000531700000000, -0.0005190200000000 ] - [ -0.0029805300000000, 0.0035275100000000, 0.0033599000000000 ] - [ 0.0005581000000000, 0.0000531700000000, -0.0005190200000000 ] - [ 0.0003622600000000, 0.0000000000000000, -0.0003248600000000 ] - [ 0.0005302400000000, 0.0000000000000000, -0.0005646000000000 ] - [ -0.0003846400000000, 0.0000000000000000, -0.0009831100000000 ] - [ -0.0064154700000000, 0.0000000000000000, 0.0003824500000000 ] - [ -0.0005004600000000, -0.0000165400000000, -0.0008204700000000 ] - [ -0.0018836700000000, -0.0010130400000000, -0.0006546800000000 ] - [ -0.0005004600000000, 0.0000165400000000, -0.0008204700000000 ] - [ -0.0018836700000000, 0.0010130400000000, -0.0006546800000000 ] - [ 0.0057033600000000, -0.0046694300000000, -0.0018439600000000 ] - [ 0.0002468900000000, -0.0001759400000000, 0.0005922700000000 ] - [ 0.0057033600000000, 0.0046694300000000, -0.0018439600000000 ] - [ 0.0002468900000000, 0.0001759400000000, 0.0005922700000000 ] - [ 0.0008590900000000, 0.0000000000000000, -0.0000746100000000 ] - [ 0.0003994300000000, 0.0000000000000000, 0.0006178000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0018782700000000, 0.0000000000000000, -0.0143417000000000 ] - [ 0.0005705800000000, 0.0000000000000000, -0.0000614400000000 ] - [ 0.0012414000000000, -0.0000540100000000, -0.0008291200000000 ] - [ 0.0005562100000000, 0.0000061300000000, -0.0000340200000000 ] - [ 0.0012414000000000, 0.0000540100000000, -0.0008291200000000 ] - [ 0.0005562100000000, -0.0000061300000000, -0.0000340200000000 ] - [ -0.0005342100000000, -0.0000448200000000, 0.0000126200000000 ] - [ -0.0002050000000000, 0.0000350200000000, -0.0005669200000000 ] - [ -0.0005342100000000, 0.0000448200000000, 0.0000126200000000 ] - [ -0.0002050000000000, -0.0000350200000000, -0.0005669200000000 ] - [ -0.0006566200000000, 0.0000000000000000, 0.0002648700000000 ] - [ -0.0003037000000000, 0.0000000000000000, -0.0003647100000000 ] - [ 0.0020202200000000, 0.0000000000000000, 0.0024096700000000 ] - [ 0.0002829000000000, 0.0000000000000000, -0.0004345700000000 ] - [ 0.0010060700000000, 0.0000434400000000, 0.0006103700000000 ] - [ 0.0004477100000000, 0.0000276200000000, -0.0002045800000000 ] - [ 0.0010060700000000, -0.0000434400000000, 0.0006103700000000 ] - [ 0.0004477100000000, -0.0000276200000000, -0.0002045800000000 ] - [ 0.0074979100000000, -0.0108915200000000, -0.0048899100000000 ] - [ -0.0004795800000000, -0.0000040600000000, 0.0000903900000000 ] - [ 0.0074979100000000, 0.0108915200000000, -0.0048899100000000 ] - [ -0.0004795800000000, 0.0000040600000000, 0.0000903900000000 ] - [ -0.0001572600000000, 0.0000000000000000, 0.0004078900000000 ] - [ -0.0004921600000000, 0.0000000000000000, 0.0000644700000000 ] - [ -0.0045935300000000, 0.0000000000000000, 0.0105160500000000 ] - [ -0.0013613100000000, 0.0000000000000000, 0.0001765700000000 ] - [ -0.0013435300000000, 0.0003698600000000, 0.0015510300000000 ] - [ -0.0013408300000000, 0.0000067700000000, 0.0001436500000000 ] - [ -0.0013435300000000, -0.0003698600000000, 0.0015510300000000 ] - [ -0.0013408300000000, -0.0000067700000000, 0.0001436500000000 ] - [ 0.0016245600000000, 0.0000485500000000, 0.0012472200000000 ] - [ 0.0010424700000000, -0.0000530300000000, 0.0004748800000000 ] - [ 0.0016245600000000, -0.0000485500000000, 0.0012472200000000 ] - [ 0.0010424700000000, 0.0000530300000000, 0.0004748800000000 ] - [ 0.0017544500000000, 0.0000000000000000, 0.0002990400000000 ] - [ 0.0011293800000000, 0.0000000000000000, 0.0002409500000000 ] - [ -0.0018342300000000, 0.0000000000000000, -0.0021027100000000 ] - [ -0.0006312200000000, 0.0000000000000000, -0.0011395100000000 ] - [ -0.0014041400000000, -0.0001185600000000, -0.0006940400000000 ] - [ -0.0010520200000000, 0.0002387500000000, -0.0005913900000000 ] - [ -0.0014041400000000, 0.0001185600000000, -0.0006940400000000 ] - [ -0.0010520200000000, -0.0002387500000000, -0.0005913900000000 ] - [ -0.0003246500000000, 0.0002176300000000, -0.0003827300000000 ] - [ -0.0015081800000000, 0.0002845000000000, -0.0001099800000000 ] - [ -0.0003246500000000, -0.0002176300000000, -0.0003827300000000 ] - [ -0.0015081800000000, -0.0002845000000000, -0.0001099800000000 ] - [ -0.0004588500000000, 0.0000000000000000, -0.0006510800000000 ] - [ -0.0010783400000000, 0.0000000000000000, -0.0003367000000000 ] - [ -0.0027633500000000, 0.0000000000000000, -0.0004831200000000 ] - [ 0.0007404000000000, 0.0000000000000000, -0.0003734600000000 ] - [ -0.0002473700000000, 0.0006452600000000, -0.0005672100000000 ] - [ 0.0005947400000000, 0.0000219600000000, -0.0004370300000000 ] - [ -0.0002473700000000, -0.0006452600000000, -0.0005672100000000 ] - [ 0.0005947400000000, -0.0000219600000000, -0.0004370300000000 ] - [ -0.0022694000000000, 0.0057305400000000, 0.0074845700000000 ] - [ -0.0006828400000000, -0.0000030300000000, 0.0004367000000000 ] - [ -0.0022694000000000, -0.0057305400000000, 0.0074845700000000 ] - [ -0.0006828400000000, 0.0000030300000000, 0.0004367000000000 ] - [ -0.0008015300000000, 0.0000000000000000, 0.0005895100000000 ] - [ -0.0006514100000000, 0.0000000000000000, 0.0004569500000000 ] - [ -0.0076392200000000, 0.0000000000000000, -0.0172242800000000 ] - [ 0.0004375900000000, 0.0000000000000000, 0.0005282600000000 ] - [ 0.0004965600000000, 0.0015144800000000, 0.0006152100000000 ] - [ 0.0004876300000000, 0.0000342200000000, 0.0005140000000000 ] - [ 0.0004965600000000, -0.0015144800000000, 0.0006152100000000 ] - [ 0.0004876300000000, -0.0000342200000000, 0.0005140000000000 ] - [ -0.0007854800000000, 0.0008224400000000, -0.0074368200000000 ] - [ 0.0012216800000000, -0.0000292500000000, -0.0000427200000000 ] - [ -0.0007854800000000, -0.0008224400000000, -0.0074368200000000 ] - [ 0.0012216800000000, 0.0000292500000000, -0.0000427200000000 ] - [ 0.0013164700000000, 0.0000000000000000, -0.0006682400000000 ] - [ 0.0012632500000000, 0.0000000000000000, -0.0000049000000000 ] - [ 0.0031164300000000, 0.0041237800000000, -0.0067753900000000 ] - [ 0.0006732100000000, -0.0000172400000000, -0.0003852000000000 ] - [ 0.0031164300000000, -0.0041237800000000, -0.0067753900000000 ] - [ 0.0006732100000000, 0.0000172400000000, -0.0003852000000000 ] - [ 0.0008398900000000, 0.0000000000000000, -0.0007943700000000 ] - [ 0.0006730100000000, 0.0000000000000000, -0.0003789800000000 ] - [ 0.0005996400000000, -0.0001050600000000, 0.0005360500000000 ] - [ 0.0012291300000000, -0.0005482400000000, 0.0010209700000000 ] - [ 0.0005996400000000, 0.0001050600000000, 0.0005360500000000 ] - [ 0.0012291300000000, 0.0005482400000000, 0.0010209700000000 ] - [ 0.0006631500000000, 0.0000000000000000, 0.0004793200000000 ] - [ 0.0008356200000000, 0.0000000000000000, 0.0005512800000000 ] - [ -0.0034755300000000, 0.0000000000000000, -0.0052565200000000 ] - [ -0.0007226000000000, 0.0000000000000000, 0.0002795400000000 ] - [ -0.0003559300000000, -0.0002274300000000, -0.0003497900000000 ] - [ -0.0007301600000000, -0.0000021200000000, 0.0002974700000000 ] - [ -0.0003559300000000, 0.0002274300000000, -0.0003497900000000 ] - [ -0.0007301600000000, 0.0000021200000000, 0.0002974700000000 ] - [ -0.0008092200000000, 0.0000000000000000, 0.0011256000000000 ] - [ -0.0007537400000000, 0.0000000000000000, -0.0003178900000000 ] - [ -0.0008864300000000, -0.0000408800000000, 0.0003355600000000 ] - [ -0.0006760600000000, 0.0000002500000000, -0.0003299200000000 ] - [ -0.0008864300000000, 0.0000408800000000, 0.0003355600000000 ] - [ -0.0006760600000000, -0.0000002500000000, -0.0003299200000000 ] - [ 0.0044846600000000, 0.0000000000000000, 0.0616059800000000 ] - [ -0.0005129300000000, 0.0000000000000000, -0.0004643300000000 ] - [ -0.0018263000000000, -0.0007630600000000, 0.0030144000000000 ] - [ -0.0005271700000000, -0.0000160500000000, -0.0004781400000000 ] - [ -0.0018263000000000, 0.0007630600000000, 0.0030144000000000 ] - [ -0.0005271700000000, 0.0000160500000000, -0.0004781400000000 ] - [ 0.0007251000000000, 0.0018479600000000, -0.0050825900000000 ] - [ 0.0006224800000000, 0.0000337000000000, -0.0005774900000000 ] - [ 0.0007251000000000, -0.0018479600000000, -0.0050825900000000 ] - [ 0.0006224800000000, -0.0000337000000000, -0.0005774900000000 ] - [ 0.0005349200000000, 0.0000000000000000, -0.0016721000000000 ] - [ 0.0005883200000000, 0.0000000000000000, -0.0005597500000000 ] - [ -0.0002461200000000, 0.0000000000000000, -0.0003332500000000 ] - [ -0.0012188100000000, 0.0000000000000000, -0.0003336600000000 ] - [ -0.0005480300000000, -0.0000680200000000, 0.0001158500000000 ] - [ -0.0007378400000000, -0.0001420700000000, 0.0001167500000000 ] - [ -0.0005480300000000, 0.0000680200000000, 0.0001158500000000 ] - [ -0.0007378400000000, 0.0001420700000000, 0.0001167500000000 ] - [ -0.0004405000000000, -0.0018966200000000, 0.0037239200000000 ] - [ 0.0007169600000000, 0.0000685100000000, 0.0008402300000000 ] - [ -0.0004405000000000, 0.0018966200000000, 0.0037239200000000 ] - [ 0.0007169600000000, -0.0000685100000000, 0.0008402300000000 ] - [ 0.0003456700000000, 0.0000000000000000, 0.0009908700000000 ] - [ 0.0006601700000000, 0.0000000000000000, 0.0006948700000000 ] - [ -0.0041057000000000, 0.0000000000000000, -0.0115033700000000 ] - [ -0.0003797400000000, 0.0000000000000000, 0.0006386500000000 ] - [ -0.0018717600000000, 0.0014159500000000, -0.0007452200000000 ] - [ -0.0004031900000000, 0.0000148900000000, 0.0006412300000000 ] - [ -0.0018717600000000, -0.0014159500000000, -0.0007452200000000 ] - [ -0.0004031900000000, -0.0000148900000000, 0.0006412300000000 ] - [ 0.0040881500000000, 0.0034916900000000, -0.0046669800000000 ] - [ 0.0005879900000000, 0.0000531500000000, -0.0007847100000000 ] - [ 0.0040881500000000, -0.0034916900000000, -0.0046669800000000 ] - [ 0.0005879900000000, -0.0000531500000000, -0.0007847100000000 ] - [ 0.0007769400000000, 0.0000000000000000, -0.0009834400000000 ] - [ 0.0006154000000000, 0.0000000000000000, -0.0007397400000000 ] - [ -0.0007568900000000, 0.0000000000000000, -0.0003200000000000 ] - [ 0.0052855300000000, 0.0000000000000000, -0.0016693500000000 ] - [ -0.0006422500000000, 0.0000153000000000, -0.0004817900000000 ] - [ 0.0007374100000000, 0.0010130500000000, -0.0006467300000000 ] - [ -0.0006422500000000, -0.0000153000000000, -0.0004817900000000 ] - [ 0.0007374100000000, -0.0010130500000000, -0.0006467300000000 ] - [ -0.0045530400000000, 0.0046643400000000, 0.0031221500000000 ] - [ 0.0008995600000000, 0.0001757600000000, 0.0007109600000000 ] - [ -0.0045530400000000, -0.0046643400000000, 0.0031221500000000 ] - [ 0.0008995600000000, -0.0001757600000000, 0.0007109600000000 ] - [ 0.0002862100000000, 0.0000000000000000, 0.0013750600000000 ] - [ 0.0007467800000000, 0.0000000000000000, 0.0006862500000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0046507700000000, 0.0000000000000000, -0.0039850300000000 ] - [ 0.0009854500000000, 0.0000000000000000, -0.0008209700000000 ] - [ 0.0002046300000000, -0.0001700900000000, 0.0008700500000000 ] - [ 0.0009410000000000, 0.0000192000000000, -0.0007360200000000 ] - [ 0.0002046300000000, 0.0001700900000000, 0.0008700500000000 ] - [ 0.0009410000000000, -0.0000192000000000, -0.0007360200000000 ] - [ 0.0063574100000000, 0.0046904100000000, -0.0011499900000000 ] - [ 0.0001289700000000, 0.0000582000000000, -0.0011624900000000 ] - [ 0.0063574100000000, -0.0046904100000000, -0.0011499900000000 ] - [ 0.0001289700000000, -0.0000582000000000, -0.0011624900000000 ] - [ -0.0009591600000000, 0.0000000000000000, 0.0009033500000000 ] - [ -0.0000026200000000, 0.0000000000000000, -0.0009249000000000 ] - [ 0.0005693700000000, 0.0000000000000000, -0.0004849400000000 ] - [ 0.0010651400000000, 0.0000000000000000, 0.0009465300000000 ] - [ 0.0003251400000000, 0.0001377300000000, -0.0004775300000000 ] - [ 0.0009411800000000, -0.0000566600000000, 0.0007372300000000 ] - [ 0.0003251400000000, -0.0001377300000000, -0.0004775300000000 ] - [ 0.0009411800000000, 0.0000566600000000, 0.0007372300000000 ] - [ 0.0048702900000000, -0.0012806800000000, 0.0046971000000000 ] - [ 0.0001012700000000, -0.0000313800000000, 0.0011155700000000 ] - [ 0.0048702900000000, 0.0012806800000000, 0.0046971000000000 ] - [ 0.0001012700000000, 0.0000313800000000, 0.0011155700000000 ] - [ -0.0007398900000000, 0.0000000000000000, -0.0004780000000000 ] - [ 0.0000067400000000, 0.0000000000000000, 0.0010001600000000 ] - [ 0.0087697500000000, 0.0000000000000000, -0.0033865600000000 ] - [ -0.0026186600000000, 0.0000000000000000, 0.0003421600000000 ] - [ 0.0010252600000000, -0.0007270100000000, 0.0002774400000000 ] - [ -0.0024907300000000, 0.0000246100000000, 0.0003066100000000 ] - [ 0.0010252600000000, 0.0007270100000000, 0.0002774400000000 ] - [ -0.0024907300000000, -0.0000246100000000, 0.0003066100000000 ] - [ 0.0057828300000000, -0.0019319100000000, -0.0008650100000000 ] - [ -0.0001502500000000, 0.0000721700000000, 0.0004708300000000 ] - [ 0.0057828300000000, 0.0019319100000000, -0.0008650100000000 ] - [ -0.0001502500000000, -0.0000721700000000, 0.0004708300000000 ] - [ 0.0033019400000000, 0.0000000000000000, -0.0002006500000000 ] - [ 0.0000742100000000, 0.0000000000000000, 0.0003244400000000 ] - [ -0.0019403400000000, 0.0000000000000000, 0.0009532300000000 ] - [ -0.0027346000000000, 0.0000000000000000, -0.0007222300000000 ] - [ -0.0012826400000000, 0.0004794600000000, 0.0007109200000000 ] - [ -0.0022820700000000, -0.0003344000000000, -0.0005499800000000 ] - [ -0.0012826400000000, -0.0004794600000000, 0.0007109200000000 ] - [ -0.0022820700000000, 0.0003344000000000, -0.0005499800000000 ] - [ -0.0048156300000000, -0.0024254800000000, 0.0025226800000000 ] - [ -0.0020935700000000, 0.0003290600000000, 0.0000174300000000 ] - [ -0.0048156300000000, 0.0024254800000000, 0.0025226800000000 ] - [ -0.0020935700000000, -0.0003290600000000, 0.0000174300000000 ] - [ 0.0000974800000000, 0.0000000000000000, -0.0007317200000000 ] - [ -0.0016446100000000, 0.0000000000000000, -0.0000449000000000 ] - [ 0.0023183100000000, 0.0000000000000000, -0.0018648900000000 ] - [ -0.0007990800000000, 0.0000000000000000, -0.0009386800000000 ] - [ 0.0019871600000000, 0.0003822100000000, -0.0008352200000000 ] - [ -0.0004833000000000, -0.0000577400000000, -0.0008515600000000 ] - [ 0.0019871600000000, -0.0003822100000000, -0.0008352200000000 ] - [ -0.0004833000000000, 0.0000577400000000, -0.0008515600000000 ] - [ 0.0107591900000000, -0.0058117400000000, 0.0024693800000000 ] - [ -0.0019192800000000, -0.0000217200000000, -0.0000186300000000 ] - [ 0.0107591900000000, 0.0058117400000000, 0.0024693800000000 ] - [ -0.0019192800000000, 0.0000217200000000, -0.0000186300000000 ] - [ 0.0010560000000000, 0.0000000000000000, 0.0009413300000000 ] - [ -0.0017226700000000, 0.0000000000000000, 0.0000208600000000 ] - [ -0.0023221100000000, 0.0000000000000000, 0.0034707800000000 ] - [ -0.0004692800000000, 0.0000000000000000, 0.0008484000000000 ] - [ 0.0011159000000000, -0.0005345500000000, -0.0001640800000000 ] - [ -0.0003219300000000, 0.0001055600000000, 0.0008406500000000 ] - [ 0.0011159000000000, 0.0005345500000000, -0.0001640800000000 ] - [ -0.0003219300000000, -0.0001055600000000, 0.0008406500000000 ] - [ -0.0020218300000000, 0.0007174300000000, -0.0038890100000000 ] - [ -0.0002508500000000, -0.0002246300000000, -0.0000869900000000 ] - [ -0.0020218300000000, -0.0007174300000000, -0.0038890100000000 ] - [ -0.0002508500000000, 0.0002246300000000, -0.0000869900000000 ] - [ 0.0016007800000000, 0.0000000000000000, 0.0004538400000000 ] - [ 0.0000343200000000, 0.0000000000000000, -0.0001224500000000 ] - [ 0.0031001700000000, 0.0000575500000000, -0.0006859400000000 ] - [ -0.0001824100000000, 0.0000075900000000, -0.0002209700000000 ] - [ 0.0031001700000000, -0.0000575500000000, -0.0006859400000000 ] - [ -0.0001824100000000, -0.0000075900000000, -0.0002209700000000 ] - [ 0.0021032700000000, 0.0000000000000000, -0.0006291400000000 ] - [ -0.0001111700000000, 0.0000000000000000, -0.0002423800000000 ] - [ -0.0004064900000000, -0.0005705000000000, -0.0003774000000000 ] - [ -0.0003579400000000, 0.0003791100000000, 0.0004842100000000 ] - [ -0.0004064900000000, 0.0005705000000000, -0.0003774000000000 ] - [ -0.0003579400000000, -0.0003791100000000, 0.0004842100000000 ] - [ 0.0001483300000000, 0.0000000000000000, 0.0000123400000000 ] - [ 0.0004271000000000, 0.0000000000000000, 0.0004316000000000 ] - [ 0.0048782100000000, 0.0000000000000000, -0.0013843900000000 ] - [ -0.0015920100000000, 0.0000000000000000, 0.0004837400000000 ] - [ 0.0014452500000000, 0.0002436000000000, 0.0003579000000000 ] - [ -0.0015330700000000, -0.0000348900000000, 0.0004625600000000 ] - [ 0.0014452500000000, -0.0002436000000000, 0.0003579000000000 ] - [ -0.0015330700000000, 0.0000348900000000, 0.0004625600000000 ] - [ -0.0030838700000000, 0.0000000000000000, 0.0000694700000000 ] - [ -0.0021627900000000, 0.0000000000000000, -0.0006333400000000 ] - [ -0.0014035800000000, -0.0008775500000000, -0.0002371700000000 ] - [ -0.0015720900000000, 0.0004038900000000, -0.0005873000000000 ] - [ -0.0014035800000000, 0.0008775500000000, -0.0002371700000000 ] - [ -0.0015720900000000, -0.0004038900000000, -0.0005873000000000 ] - [ -0.0047292700000000, 0.0000000000000000, 0.0029850100000000 ] - [ 0.0007737200000000, 0.0000000000000000, -0.0007036000000000 ] - [ -0.0027898400000000, 0.0014138400000000, 0.0007810900000000 ] - [ 0.0006240200000000, -0.0000688000000000, -0.0006804200000000 ] - [ -0.0027898400000000, -0.0014138400000000, 0.0007810900000000 ] - [ 0.0006240200000000, 0.0000688000000000, -0.0006804200000000 ] - [ 0.0071213200000000, -0.0067725700000000, -0.0056673200000000 ] - [ 0.0022411100000000, 0.0002382200000000, -0.0001871600000000 ] - [ 0.0071213200000000, 0.0067725700000000, -0.0056673200000000 ] - [ 0.0022411100000000, -0.0002382200000000, -0.0001871600000000 ] - [ 0.0001597300000000, 0.0000000000000000, -0.0007981100000000 ] - [ 0.0016762500000000, 0.0000000000000000, -0.0003395200000000 ] - [ 0.0076673200000000, 0.0000000000000000, 0.0063259700000000 ] - [ 0.0012778100000000, 0.0000000000000000, 0.0003236800000000 ] - [ 0.0002114700000000, -0.0021375800000000, 0.0018191200000000 ] - [ 0.0004400400000000, 0.0003821800000000, 0.0004414000000000 ] - [ 0.0002114700000000, 0.0021375800000000, 0.0018191200000000 ] - [ 0.0004400400000000, -0.0003821800000000, 0.0004414000000000 ] - [ -0.0011058300000000, 0.0025128900000000, -0.0030178100000000 ] - [ 0.0019464600000000, -0.0001546300000000, 0.0004978600000000 ] - [ -0.0011058300000000, -0.0025128900000000, -0.0030178100000000 ] - [ 0.0019464600000000, 0.0001546300000000, 0.0004978600000000 ] - [ -0.0010965700000000, 0.0000000000000000, 0.0003054100000000 ] - [ 0.0016849500000000, 0.0000000000000000, 0.0004698100000000 ] - [ -0.0659818200000000, 0.0000000000000000, 0.0005821300000000 ] - [ 0.0011359500000000, 0.0000000000000000, 0.0007218700000000 ] - [ -0.0069118500000000, -0.0000589300000000, -0.0004151900000000 ] - [ 0.0009948100000000, 0.0000153500000000, 0.0007161300000000 ] - [ -0.0069118500000000, 0.0000589300000000, -0.0004151900000000 ] - [ 0.0009948100000000, -0.0000153500000000, 0.0007161300000000 ] - [ -0.0050792900000000, 0.0003574300000000, 0.0022402200000000 ] - [ 0.0021424200000000, -0.0000787500000000, -0.0006617500000000 ] - [ -0.0050792900000000, -0.0003574300000000, 0.0022402200000000 ] - [ 0.0021424200000000, 0.0000787500000000, -0.0006617500000000 ] - [ -0.0020001100000000, 0.0000000000000000, -0.0004185100000000 ] - [ 0.0019846000000000, 0.0000000000000000, -0.0006372600000000 ] - [ 0.0025013400000000, 0.0000000000000000, -0.0021080200000000 ] - [ 0.0025114300000000, 0.0000000000000000, 0.0000005500000000 ] - [ 0.0008654600000000, -0.0014407700000000, -0.0015191200000000 ] - [ 0.0008626300000000, 0.0010776200000000, -0.0005799800000000 ] - [ 0.0008654600000000, 0.0014407700000000, -0.0015191200000000 ] - [ 0.0008626300000000, -0.0010776200000000, -0.0005799800000000 ] - [ 0.0019351100000000, -0.0010157200000000, 0.0012850000000000 ] - [ 0.0015474300000000, 0.0003067200000000, 0.0006593900000000 ] - [ 0.0019351100000000, 0.0010157200000000, 0.0012850000000000 ] - [ 0.0015474300000000, -0.0003067200000000, 0.0006593900000000 ] - [ 0.0009235100000000, 0.0000000000000000, 0.0007306800000000 ] - [ 0.0011999000000000, 0.0000000000000000, 0.0006394000000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0036408200000000, 0.0000000000000000, 0.0040329400000000 ] - [ 0.0000367600000000, 0.0000000000000000, 0.0008967800000000 ] - [ 0.0008187800000000, 0.0001699600000000, -0.0007956200000000 ] - [ 0.0000807600000000, -0.0000194200000000, 0.0008127500000000 ] - [ 0.0008187800000000, -0.0001699600000000, -0.0007956200000000 ] - [ 0.0000807600000000, 0.0000194200000000, 0.0008127500000000 ] - [ -0.0074481600000000, -0.0048174200000000, 0.0010144500000000 ] - [ -0.0011519300000000, -0.0000581900000000, 0.0010881200000000 ] - [ -0.0074481600000000, 0.0048174200000000, 0.0010144500000000 ] - [ -0.0011519300000000, 0.0000581900000000, 0.0010881200000000 ] - [ -0.0000573500000000, 0.0000000000000000, -0.0009869200000000 ] - [ -0.0010200400000000, 0.0000000000000000, 0.0008497400000000 ] - [ 0.0004514300000000, 0.0000000000000000, 0.0004104700000000 ] - [ -0.0000465300000000, 0.0000000000000000, -0.0010279500000000 ] - [ 0.0007003000000000, -0.0001375000000000, 0.0004062700000000 ] - [ 0.0000796400000000, 0.0000566500000000, -0.0008154700000000 ] - [ 0.0007003000000000, 0.0001375000000000, 0.0004062700000000 ] - [ 0.0000796400000000, -0.0000566500000000, -0.0008154700000000 ] - [ -0.0058869900000000, 0.0012332100000000, -0.0046279500000000 ] - [ -0.0011250800000000, 0.0000315000000000, -0.0010427800000000 ] - [ -0.0058869900000000, -0.0012332100000000, -0.0046279500000000 ] - [ -0.0011250800000000, -0.0000315000000000, -0.0010427800000000 ] - [ -0.0002837000000000, 0.0000000000000000, 0.0005521900000000 ] - [ -0.0010311100000000, 0.0000000000000000, -0.0009281700000000 ] - [ -0.0112313500000000, 0.0000000000000000, 0.0032917700000000 ] - [ 0.0000696400000000, 0.0000000000000000, -0.0002075200000000 ] - [ -0.0035766700000000, 0.0007279000000000, -0.0001418400000000 ] - [ -0.0000526500000000, -0.0000252000000000, -0.0001797200000000 ] - [ -0.0035766700000000, -0.0007279000000000, -0.0001418400000000 ] - [ -0.0000526500000000, 0.0000252000000000, -0.0001797200000000 ] - [ -0.0034109300000000, 0.0017802700000000, 0.0006981500000000 ] - [ 0.0027022600000000, -0.0000713600000000, -0.0006039900000000 ] - [ -0.0034109300000000, -0.0017802700000000, 0.0006981500000000 ] - [ 0.0027022600000000, 0.0000713600000000, -0.0006039900000000 ] - [ -0.0007561700000000, 0.0000000000000000, 0.0000696800000000 ] - [ 0.0024711600000000, 0.0000000000000000, -0.0004490100000000 ] - [ -0.0006118600000000, 0.0000000000000000, -0.0010864700000000 ] - [ 0.0001947100000000, 0.0000000000000000, 0.0005954700000000 ] - [ -0.0012712900000000, -0.0004796900000000, -0.0008464100000000 ] - [ -0.0002627200000000, 0.0003348700000000, 0.0004200800000000 ] - [ -0.0012712900000000, 0.0004796900000000, -0.0008464100000000 ] - [ -0.0002627200000000, -0.0003348700000000, 0.0004200800000000 ] - [ 0.0036688200000000, 0.0024663100000000, -0.0034830000000000 ] - [ 0.0009188100000000, -0.0003273600000000, -0.0009714600000000 ] - [ 0.0036688200000000, -0.0024663100000000, -0.0034830000000000 ] - [ 0.0009188100000000, 0.0003273600000000, -0.0009714600000000 ] - [ -0.0012816700000000, 0.0000000000000000, -0.0002152300000000 ] - [ 0.0004737700000000, 0.0000000000000000, -0.0009107600000000 ] - [ -0.0011530400000000, 0.0000000000000000, 0.0009258700000000 ] - [ 0.0019740500000000, 0.0000000000000000, -0.0000128000000000 ] - [ -0.0008175200000000, -0.0003808000000000, -0.0001188500000000 ] - [ 0.0016621800000000, 0.0000573100000000, -0.0000983400000000 ] - [ -0.0008175200000000, 0.0003808000000000, -0.0001188500000000 ] - [ 0.0016621800000000, -0.0000573100000000, -0.0000983400000000 ] - [ -0.0116736200000000, 0.0054256400000000, -0.0013789000000000 ] - [ 0.0007465000000000, 0.0000221500000000, 0.0009719600000000 ] - [ -0.0116736200000000, -0.0054256400000000, -0.0013789000000000 ] - [ 0.0007465000000000, -0.0000221500000000, 0.0009719600000000 ] - [ -0.0022302500000000, 0.0000000000000000, 0.0000127300000000 ] - [ 0.0005490200000000, 0.0000000000000000, 0.0009327000000000 ] - [ 0.0035213700000000, 0.0000000000000000, -0.0025264600000000 ] - [ 0.0016461100000000, 0.0000000000000000, 0.0001031400000000 ] - [ 0.0000622400000000, 0.0005356200000000, 0.0011169300000000 ] - [ 0.0014959000000000, -0.0001062500000000, 0.0001126400000000 ] - [ 0.0000622400000000, -0.0005356200000000, 0.0011169300000000 ] - [ 0.0014959000000000, 0.0001062500000000, 0.0001126400000000 ] - [ 0.0045856200000000, -0.0007021600000000, 0.0040432100000000 ] - [ 0.0028032700000000, 0.0002253100000000, 0.0002162800000000 ] - [ 0.0045856200000000, 0.0007021600000000, 0.0040432100000000 ] - [ 0.0028032700000000, -0.0002253100000000, 0.0002162800000000 ] - [ 0.0009461200000000, 0.0000000000000000, -0.0003281300000000 ] - [ 0.0025185700000000, 0.0000000000000000, 0.0002530200000000 ] - [ -0.0017166200000000, -0.0000618100000000, -0.0000511500000000 ] - [ 0.0015708600000000, -0.0000072600000000, -0.0005204700000000 ] - [ -0.0017166200000000, 0.0000618100000000, -0.0000511500000000 ] - [ 0.0015708600000000, 0.0000072600000000, -0.0005204700000000 ] - [ -0.0007192000000000, 0.0000000000000000, -0.0001109700000000 ] - [ 0.0015002500000000, 0.0000000000000000, -0.0004980100000000 ] - [ 0.0017946400000000, 0.0005762000000000, 0.0011218900000000 ] - [ 0.0017437200000000, -0.0003779500000000, 0.0002612100000000 ] - [ 0.0017946400000000, -0.0005762000000000, 0.0011218900000000 ] - [ 0.0017437200000000, 0.0003779500000000, 0.0002612100000000 ] - [ 0.0012348300000000, 0.0000000000000000, 0.0007277700000000 ] - [ 0.0009610300000000, 0.0000000000000000, 0.0003094900000000 ] - [ -0.0062755100000000, 0.0000000000000000, 0.0021720400000000 ] - [ 0.0002071800000000, 0.0000000000000000, 0.0002569500000000 ] - [ -0.0028373700000000, -0.0002415500000000, 0.0003827900000000 ] - [ 0.0001477800000000, 0.0000346200000000, 0.0002771200000000 ] - [ -0.0028373700000000, 0.0002415500000000, 0.0003827900000000 ] - [ 0.0001477800000000, -0.0000346200000000, 0.0002771200000000 ] - [ 0.0016700200000000, 0.0000000000000000, -0.0008048100000000 ] - [ 0.0007836900000000, 0.0000000000000000, -0.0001070800000000 ] - [ 0.0000195400000000, 0.0008751700000000, -0.0005066900000000 ] - [ 0.0001873800000000, -0.0004066100000000, -0.0001513200000000 ] - [ 0.0000195400000000, -0.0008751700000000, -0.0005066900000000 ] - [ 0.0001873800000000, 0.0004066100000000, -0.0001513200000000 ] - [ 0.0035634500000000, 0.0000000000000000, -0.0040106800000000 ] - [ -0.0019181400000000, 0.0000000000000000, -0.0003209300000000 ] - [ 0.0016491600000000, -0.0014190300000000, -0.0018121700000000 ] - [ -0.0017686900000000, 0.0000696900000000, -0.0003441100000000 ] - [ 0.0016491600000000, 0.0014190300000000, -0.0018121700000000 ] - [ -0.0017686900000000, -0.0000696900000000, -0.0003441100000000 ] - [ -0.0059377800000000, 0.0066984300000000, 0.0045890800000000 ] - [ -0.0011035800000000, -0.0002400100000000, -0.0008404200000000 ] - [ -0.0059377800000000, -0.0066984300000000, 0.0045890800000000 ] - [ -0.0011035800000000, 0.0002400100000000, -0.0008404200000000 ] - [ 0.0009789900000000, 0.0000000000000000, -0.0002255800000000 ] - [ -0.0005341500000000, 0.0000000000000000, -0.0006875900000000 ] - [ -0.0088965800000000, 0.0000000000000000, -0.0053744600000000 ] - [ -0.0024150600000000, 0.0000000000000000, 0.0006966700000000 ] - [ -0.0013511100000000, 0.0021472000000000, -0.0008009700000000 ] - [ -0.0015845100000000, -0.0003814900000000, 0.0005840800000000 ] - [ -0.0013511100000000, -0.0021472000000000, -0.0008009700000000 ] - [ -0.0015845100000000, 0.0003814900000000, 0.0005840800000000 ] - [ 0.0022782600000000, -0.0025047300000000, 0.0040516600000000 ] - [ -0.0008074500000000, 0.0001537900000000, 0.0005285300000000 ] - [ 0.0022782600000000, 0.0025047300000000, 0.0040516600000000 ] - [ -0.0008074500000000, -0.0001537900000000, 0.0005285300000000 ] - [ 0.0022454000000000, 0.0000000000000000, 0.0007212600000000 ] - [ -0.0005455100000000, 0.0000000000000000, 0.0005560300000000 ] - [ 0.0646105100000000, 0.0000000000000000, 0.0009094900000000 ] - [ -0.0022838000000000, 0.0000000000000000, 0.0005799200000000 ] - [ 0.0057769800000000, 0.0000136600000000, 0.0017213700000000 ] - [ -0.0021427000000000, -0.0000148600000000, 0.0005866800000000 ] - [ 0.0057769800000000, -0.0000136600000000, 0.0017213700000000 ] - [ -0.0021427000000000, 0.0000148600000000, 0.0005866800000000 ] - [ 0.0062498400000000, -0.0003375500000000, -0.0035164600000000 ] - [ -0.0010005300000000, 0.0000782600000000, -0.0006413100000000 ] - [ 0.0062498400000000, 0.0003375500000000, -0.0035164600000000 ] - [ -0.0010005300000000, -0.0000782600000000, -0.0006413100000000 ] - [ 0.0031487900000000, 0.0000000000000000, -0.0008839400000000 ] - [ -0.0008433000000000, 0.0000000000000000, -0.0006664900000000 ] - [ -0.0036616900000000, 0.0000000000000000, 0.0008174900000000 ] - [ -0.0036518600000000, 0.0000000000000000, -0.0012874900000000 ] - [ -0.0020135900000000, 0.0014481000000000, 0.0002218000000000 ] - [ -0.0020165100000000, -0.0010789900000000, -0.0007221400000000 ] - [ -0.0020135900000000, -0.0014481000000000, 0.0002218000000000 ] - [ -0.0020165100000000, 0.0010789900000000, -0.0007221400000000 ] - [ -0.0007980000000000, 0.0010199400000000, 0.0000150700000000 ] - [ -0.0004021700000000, -0.0003079400000000, 0.0006430400000000 ] - [ -0.0007980000000000, -0.0010199400000000, 0.0000150700000000 ] - [ -0.0004021700000000, 0.0003079400000000, 0.0006430400000000 ] - [ 0.0002179100000000, 0.0000000000000000, 0.0005712400000000 ] - [ -0.0000562200000000, 0.0000000000000000, 0.0006653600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004960200000000, 0.0014542500000000, 0.0000595300000000 ] - [ 0.0005120400000000, 0.0000579900000000, 0.0000361600000000 ] - [ 0.0011938400000000, -0.0005061700000000, -0.0008937800000000 ] - [ 0.0004910400000000, -0.0000289600000000, 0.0000816300000000 ] - [ -0.0001627600000000, -0.0005027400000000, 0.0009578800000000 ] - [ 0.0005317000000000, -0.0000290300000000, -0.0000072400000000 ] - [ 0.0073352700000000, 0.0030007500000000, -0.0049931400000000 ] - [ -0.0006236400000000, 0.0000630100000000, 0.0001809600000000 ] - [ -0.0084162100000000, 0.0030425700000000, 0.0048774200000000 ] - [ -0.0003990000000000, 0.0000633400000000, -0.0002559700000000 ] - [ -0.0005134400000000, -0.0003644500000000, -0.0000326300000000 ] - [ -0.0005104100000000, -0.0001263200000000, -0.0000388500000000 ] - [ 0.0005116300000000, 0.0004625100000000, -0.0000370600000000 ] - [ 0.0005109100000000, 0.0001287600000000, -0.0000378500000000 ] - [ 0.0002165300000000, -0.0002317400000000, -0.0003737200000000 ] - [ 0.0006540900000000, -0.0000651000000000, 0.0002112000000000 ] - [ 0.0008073100000000, -0.0002329700000000, 0.0003003500000000 ] - [ 0.0003692700000000, -0.0000652800000000, -0.0002844600000000 ] - [ -0.0064056800000000, 0.0015852900000000, -0.0068189400000000 ] - [ -0.0003854800000000, 0.0000410300000000, 0.0002101500000000 ] - [ 0.0054345500000000, 0.0016322500000000, 0.0069115900000000 ] - [ -0.0006373400000000, 0.0000412000000000, -0.0001358400000000 ] - [ -0.0005074500000000, -0.0003917300000000, 0.0000435200000000 ] - [ -0.0005115300000000, -0.0000897800000000, 0.0000371400000000 ] - [ -0.0012807000000000, 0.0071163600000000, 0.0000781800000000 ] - [ -0.0012774700000000, 0.0001612000000000, 0.0000694300000000 ] - [ -0.0021595000000000, -0.0018510100000000, 0.0018712100000000 ] - [ -0.0012222300000000, -0.0000806100000000, 0.0000541600000000 ] - [ -0.0004033600000000, -0.0018453800000000, -0.0017126600000000 ] - [ -0.0013295000000000, -0.0000806300000000, 0.0000802900000000 ] - [ -0.0017163200000000, 0.0031739500000000, -0.0005235800000000 ] - [ 0.0014540000000000, 0.0000717900000000, -0.0002497700000000 ] - [ 0.0040599000000000, 0.0034271000000000, 0.0003127000000000 ] - [ 0.0010976700000000, 0.0000720900000000, 0.0001138500000000 ] - [ 0.0012849000000000, -0.0028299900000000, -0.0000676300000000 ] - [ 0.0012739700000000, -0.0001437600000000, -0.0000658400000000 ] - [ -0.0012790000000000, 0.0008886900000000, -0.0000682800000000 ] - [ -0.0012745800000000, 0.0007031200000000, -0.0000677800000000 ] - [ -0.0007436000000000, -0.0004423300000000, -0.0000948700000000 ] - [ -0.0017474400000000, -0.0003504500000000, -0.0003036300000000 ] - [ -0.0018097600000000, -0.0004448400000000, -0.0000437500000000 ] - [ -0.0008064800000000, -0.0003522100000000, 0.0001661000000000 ] - [ -0.0059357700000000, 0.0000489500000000, 0.0043966100000000 ] - [ -0.0001314400000000, 0.0003198300000000, -0.0005965200000000 ] - [ 0.0047736400000000, 0.0000478800000000, -0.0053484300000000 ] - [ -0.0010473300000000, 0.0003202500000000, -0.0003530800000000 ] - [ -0.0005859500000000, -0.0011736100000000, -0.0004766000000000 ] - [ -0.0005885500000000, -0.0006359800000000, -0.0004760800000000 ] - [ 0.0005866800000000, 0.0017795400000000, -0.0004768700000000 ] - [ 0.0005873900000000, 0.0001277100000000, -0.0004764100000000 ] - [ 0.0008511500000000, -0.0009049700000000, 0.0001723800000000 ] - [ 0.0003218800000000, -0.0000628500000000, -0.0006422200000000 ] - [ 0.0003295300000000, -0.0009090600000000, -0.0011230300000000 ] - [ 0.0008534600000000, -0.0000634900000000, -0.0003090500000000 ] - [ -0.0051914100000000, 0.0114910500000000, -0.0017786200000000 ] - [ -0.0007744400000000, 0.0000587100000000, 0.0003973700000000 ] - [ 0.0044814800000000, 0.0120175000000000, 0.0029339900000000 ] - [ -0.0004039000000000, 0.0000587400000000, 0.0005525400000000 ] - [ -0.0005954100000000, -0.0034202400000000, 0.0004719400000000 ] - [ -0.0005887700000000, -0.0001146100000000, 0.0004754200000000 ] - [ 0.0006068900000000, 0.0006787100000000, 0.0004561300000000 ] - [ 0.0005880000000000, 0.0002310300000000, 0.0004750000000000 ] - [ -0.0004338900000000, -0.0004633000000000, 0.0010012900000000 ] - [ 0.0006908900000000, -0.0001150600000000, 0.0004853700000000 ] - [ 0.0016032200000000, -0.0004683900000000, -0.0000441700000000 ] - [ 0.0004835600000000, -0.0001154500000000, 0.0004666600000000 ] - [ 0.0065348900000000, 0.0003330400000000, 0.0072776500000000 ] - [ 0.0009066300000000, 0.0002620700000000, 0.0001476500000000 ] - [ -0.0039996000000000, 0.0003159000000000, -0.0071523300000000 ] - [ 0.0016457000000000, 0.0002629800000000, -0.0000111800000000 ] - [ 0.0012710300000000, -0.0011800000000000, 0.0000625000000000 ] - [ 0.0012762300000000, -0.0005547000000000, 0.0000681100000000 ] - [ 0.0008691200000000, 0.0005783900000000, -0.0001705400000000 ] - [ 0.0007183800000000, 0.0000542200000000, -0.0003676600000000 ] - [ 0.0005200500000000, 0.0005876100000000, -0.0005692500000000 ] - [ 0.0006684000000000, 0.0000543600000000, -0.0003722100000000 ] - [ 0.0006945800000000, -0.0012333700000000, -0.0003708400000000 ] - [ 0.0006933600000000, -0.0001076900000000, -0.0003696600000000 ] - [ 0.0001978800000000, 0.0005137600000000, -0.0000028400000000 ] - [ 0.0014218900000000, 0.0002220600000000, 0.0003721000000000 ] - [ 0.0011863900000000, 0.0005145100000000, 0.0007417900000000 ] - [ -0.0000355500000000, 0.0002246200000000, 0.0003692000000000 ] - [ 0.0006920400000000, -0.0010089100000000, 0.0003692900000000 ] - [ 0.0006921000000000, -0.0004560100000000, 0.0003696500000000 ] - [ -0.0006841900000000, 0.0050917900000000, 0.0003423100000000 ] - [ -0.0006940200000000, 0.0001397800000000, 0.0003699600000000 ] - [ -0.0000731600000000, -0.0015476500000000, -0.0007388600000000 ] - [ -0.0006986100000000, -0.0000707100000000, 0.0003717100000000 ] - [ -0.0013076900000000, -0.0015430400000000, 0.0014666400000000 ] - [ -0.0006894900000000, -0.0000708500000000, 0.0003677100000000 ] - [ -0.0006918100000000, 0.0017304300000000, -0.0003679300000000 ] - [ -0.0006938700000000, 0.0007775400000000, -0.0003695400000000 ] - [ -0.0013392300000000, -0.0008606700000000, -0.0000814000000000 ] - [ -0.0001259100000000, -0.0004083000000000, -0.0002052200000000 ] - [ -0.0000481500000000, -0.0008642600000000, -0.0006593700000000 ] - [ -0.0012613400000000, -0.0004087000000000, -0.0005333400000000 ] - [ -0.0005841600000000, -0.0054231800000000, -0.0005196600000000 ] - [ -0.0005709600000000, -0.0002688600000000, -0.0005130200000000 ] - [ -0.0006431800000000, 0.0025105200000000, 0.0009028800000000 ] - [ -0.0006528600000000, 0.0001337900000000, -0.0004981100000000 ] - [ -0.0004997300000000, 0.0025128700000000, -0.0019227000000000 ] - [ -0.0004893000000000, 0.0001339000000000, -0.0005279400000000 ] - [ -0.0062757500000000, 0.0007892800000000, 0.0041448400000000 ] - [ 0.0011112400000000, -0.0002719000000000, -0.0003376100000000 ] - [ 0.0074480300000000, 0.0007612100000000, -0.0051886900000000 ] - [ 0.0000334800000000, -0.0002722600000000, -0.0006892500000000 ] - [ 0.0005753200000000, 0.0022891000000000, -0.0005135000000000 ] - [ 0.0005723300000000, 0.0005419800000000, -0.0005135100000000 ] - [ -0.0005472300000000, -0.0054890800000000, 0.0005247500000000 ] - [ -0.0005726800000000, -0.0006823400000000, 0.0005125300000000 ] - [ -0.0021515400000000, 0.0024817900000000, -0.0005012500000000 ] - [ -0.0001125700000000, 0.0003397300000000, 0.0004972800000000 ] - [ 0.0010014400000000, 0.0024838000000000, 0.0015243400000000 ] - [ -0.0010293700000000, 0.0003419000000000, 0.0005294200000000 ] - [ 0.0019280500000000, -0.0005884900000000, -0.0029921900000000 ] - [ 0.0003324300000000, -0.0001714100000000, 0.0004602100000000 ] - [ -0.0007859000000000, -0.0006162000000000, 0.0040269100000000 ] - [ 0.0008115200000000, -0.0001718000000000, 0.0005664800000000 ] - [ 0.0005677200000000, 0.0021689700000000, 0.0005156400000000 ] - [ 0.0005723800000000, 0.0003428200000000, 0.0005132300000000 ] - [ -0.0008462500000000, -0.0702018400000000, 0.0005862000000000 ] - [ -0.0005717000000000, -0.0002944300000000, 0.0006524600000000 ] - [ -0.0005375900000000, 0.0136438300000000, 0.0002467500000000 ] - [ -0.0005867200000000, 0.0001470200000000, 0.0006647000000000 ] - [ -0.0006104800000000, 0.0134812500000000, 0.0010568900000000 ] - [ -0.0005565900000000, 0.0001474200000000, 0.0006408100000000 ] - [ 0.0009174800000000, 0.0005410500000000, 0.0060586000000000 ] - [ 0.0004945300000000, -0.0001346000000000, -0.0006172800000000 ] - [ 0.0002222200000000, 0.0005100700000000, -0.0073852000000000 ] - [ 0.0006513700000000, -0.0001351000000000, -0.0006881400000000 ] - [ 0.0005683200000000, 0.0021367700000000, -0.0006546000000000 ] - [ 0.0005729600000000, 0.0002698800000000, -0.0006529700000000 ] - [ -0.0005695600000000, -0.0030886900000000, -0.0006518800000000 ] - [ -0.0005701500000000, -0.0030890300000000, -0.0006526000000000 ] - [ -0.0016511700000000, 0.0015024600000000, -0.0001477500000000 ] - [ 0.0008725700000000, 0.0015022600000000, -0.0006574600000000 ] - [ 0.0005051800000000, 0.0015043700000000, -0.0011570700000000 ] - [ -0.0020161500000000, 0.0015048200000000, -0.0006497300000000 ] - [ -0.0004470800000000, -0.0006938800000000, -0.0006405400000000 ] - [ 0.0008806000000000, -0.0003253500000000, 0.0006455400000000 ] - [ 0.0015875300000000, -0.0007053700000000, 0.0019515100000000 ] - [ 0.0002660800000000, -0.0003273600000000, 0.0006603600000000 ] - [ 0.0005747800000000, 0.0013615000000000, 0.0006529800000000 ] - [ 0.0005723600000000, 0.0006538900000000, 0.0006534300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0078322800000000, 0.0000000000000000, 0.0117253300000000 ] - [ 0.0005270000000000, 0.0000000000000000, 0.0000215200000000 ] - [ -0.0000756400000000, 0.0001811500000000, 0.0008397000000000 ] - [ 0.0005174800000000, 0.0000033700000000, 0.0000314300000000 ] - [ -0.0000756400000000, -0.0001811500000000, 0.0008397000000000 ] - [ 0.0005174800000000, -0.0000033700000000, 0.0000314300000000 ] - [ 0.0018751400000000, -0.0011461700000000, -0.0050538700000000 ] - [ -0.0003759400000000, 0.0000035600000000, -0.0002622300000000 ] - [ 0.0018751400000000, 0.0011461700000000, -0.0050538700000000 ] - [ -0.0003759400000000, -0.0000035600000000, -0.0002622300000000 ] - [ -0.0002904400000000, 0.0000000000000000, -0.0002383800000000 ] - [ -0.0003937200000000, 0.0000000000000000, -0.0002217500000000 ] - [ 0.0020443100000000, 0.0000000000000000, 0.0016077900000000 ] - [ 0.0004536000000000, 0.0000000000000000, -0.0001189700000000 ] - [ 0.0012561400000000, 0.0000454900000000, 0.0007784400000000 ] - [ 0.0005070400000000, 0.0000103000000000, -0.0000697200000000 ] - [ 0.0012561400000000, -0.0000454900000000, 0.0007784400000000 ] - [ 0.0005070400000000, -0.0000103000000000, -0.0000697200000000 ] - [ 0.0029236900000000, -0.0008062900000000, 0.0045971500000000 ] - [ -0.0005229300000000, -0.0000023400000000, 0.0000235600000000 ] - [ 0.0029236900000000, 0.0008062900000000, 0.0045971500000000 ] - [ -0.0005229300000000, 0.0000023400000000, 0.0000235600000000 ] - [ -0.0004614200000000, 0.0000000000000000, 0.0001346500000000 ] - [ -0.0005280200000000, 0.0000000000000000, 0.0000027100000000 ] - [ -0.0027593100000000, 0.0000000000000000, 0.0088295100000000 ] - [ -0.0013076500000000, 0.0000000000000000, 0.0000699300000000 ] - [ -0.0006106100000000, 0.0012726700000000, -0.0000029500000000 ] - [ -0.0012951600000000, 0.0000140800000000, 0.0000646100000000 ] - [ -0.0006106100000000, -0.0012726700000000, -0.0000029500000000 ] - [ -0.0012951600000000, -0.0000140800000000, 0.0000646100000000 ] - [ 0.0003438300000000, -0.0007799600000000, 0.0053158700000000 ] - [ 0.0012009800000000, -0.0000374300000000, 0.0001840100000000 ] - [ 0.0003438300000000, 0.0007799600000000, 0.0053158700000000 ] - [ 0.0012009800000000, 0.0000374300000000, 0.0001840100000000 ] - [ 0.0014522500000000, 0.0000000000000000, 0.0003920500000000 ] - [ 0.0012001800000000, 0.0000000000000000, 0.0001171400000000 ] - [ -0.0011500000000000, 0.0000000000000000, -0.0024833100000000 ] - [ -0.0010862600000000, 0.0000000000000000, -0.0005474700000000 ] - [ -0.0011793200000000, -0.0005078900000000, -0.0010181400000000 ] - [ -0.0012328100000000, 0.0001144000000000, -0.0003625200000000 ] - [ -0.0011793200000000, 0.0005078900000000, -0.0010181400000000 ] - [ -0.0012328100000000, -0.0001144000000000, -0.0003625200000000 ] - [ -0.0011402700000000, 0.0013157900000000, 0.0038308800000000 ] - [ -0.0009774200000000, 0.0000363700000000, -0.0002749400000000 ] - [ -0.0011402700000000, -0.0013157900000000, 0.0038308800000000 ] - [ -0.0009774200000000, -0.0000363700000000, -0.0002749400000000 ] - [ -0.0005790600000000, 0.0000000000000000, -0.0002106000000000 ] - [ -0.0008764900000000, 0.0000000000000000, -0.0003508400000000 ] - [ -0.0015535100000000, 0.0000000000000000, -0.0035232300000000 ] - [ 0.0006640000000000, 0.0000000000000000, -0.0005223100000000 ] - [ -0.0002503600000000, 0.0007395400000000, -0.0013898900000000 ] - [ 0.0005827100000000, 0.0000205900000000, -0.0005085400000000 ] - [ -0.0002503600000000, -0.0007395400000000, -0.0013898900000000 ] - [ 0.0005827100000000, -0.0000205900000000, -0.0005085400000000 ] - [ -0.0002464200000000, -0.0018476600000000, 0.0056478200000000 ] - [ -0.0006213900000000, -0.0000098400000000, 0.0005058100000000 ] - [ -0.0002464200000000, 0.0018476600000000, 0.0056478200000000 ] - [ -0.0006213900000000, 0.0000098400000000, 0.0005058100000000 ] - [ -0.0005803100000000, 0.0000000000000000, 0.0009033700000000 ] - [ -0.0005969700000000, 0.0000000000000000, 0.0005114000000000 ] - [ 0.0067605600000000, 0.0000000000000000, -0.0105523300000000 ] - [ 0.0005809600000000, 0.0000000000000000, 0.0004234000000000 ] - [ 0.0007281900000000, 0.0002517600000000, -0.0005257000000000 ] - [ 0.0005909800000000, 0.0000180100000000, 0.0004336400000000 ] - [ 0.0007281900000000, -0.0002517600000000, -0.0005257000000000 ] - [ 0.0005909800000000, -0.0000180100000000, 0.0004336400000000 ] - [ -0.0007801300000000, 0.0004436200000000, -0.0030258800000000 ] - [ 0.0012899400000000, -0.0000296200000000, 0.0000754500000000 ] - [ -0.0007801300000000, -0.0004436200000000, -0.0030258800000000 ] - [ 0.0012899400000000, 0.0000296200000000, 0.0000754500000000 ] - [ 0.0011160400000000, 0.0000000000000000, -0.0000902000000000 ] - [ 0.0013294100000000, 0.0000000000000000, 0.0000795500000000 ] - [ 0.0004350200000000, 0.0008642200000000, -0.0030030500000000 ] - [ 0.0006929300000000, -0.0000116600000000, -0.0003788500000000 ] - [ 0.0004350200000000, -0.0008642200000000, -0.0030030500000000 ] - [ 0.0006929300000000, 0.0000116600000000, -0.0003788500000000 ] - [ 0.0008075700000000, 0.0000000000000000, -0.0008362400000000 ] - [ 0.0006884700000000, 0.0000000000000000, -0.0003749900000000 ] - [ 0.0003366000000000, -0.0002211200000000, 0.0002159700000000 ] - [ 0.0010671000000000, -0.0002897100000000, 0.0004819600000000 ] - [ 0.0003366000000000, 0.0002211200000000, 0.0002159700000000 ] - [ 0.0010671000000000, 0.0002897100000000, 0.0004819600000000 ] - [ 0.0005431800000000, 0.0000000000000000, 0.0003235800000000 ] - [ 0.0007570400000000, 0.0000000000000000, 0.0004008700000000 ] - [ -0.0020885300000000, 0.0000000000000000, 0.0121787800000000 ] - [ -0.0007046000000000, 0.0000000000000000, 0.0003356900000000 ] - [ -0.0004954500000000, -0.0010111800000000, 0.0003192900000000 ] - [ -0.0007085700000000, 0.0000061100000000, 0.0003415300000000 ] - [ -0.0004954500000000, 0.0010111800000000, 0.0003192900000000 ] - [ -0.0007085700000000, -0.0000061100000000, 0.0003415300000000 ] - [ -0.0002406000000000, 0.0000000000000000, 0.0008431900000000 ] - [ -0.0008931900000000, 0.0000000000000000, -0.0001925700000000 ] - [ -0.0006266300000000, 0.0002480200000000, 0.0002467700000000 ] - [ -0.0007039500000000, -0.0000186800000000, -0.0002624400000000 ] - [ -0.0006266300000000, -0.0002480200000000, 0.0002467700000000 ] - [ -0.0007039500000000, 0.0000186800000000, -0.0002624400000000 ] - [ 0.0073652700000000, 0.0000000000000000, 0.0116599800000000 ] - [ -0.0005697900000000, 0.0000000000000000, -0.0004992000000000 ] - [ -0.0001437600000000, 0.0010319300000000, 0.0008819000000000 ] - [ -0.0005732200000000, -0.0000155200000000, -0.0005013300000000 ] - [ -0.0001437600000000, -0.0010319300000000, 0.0008819000000000 ] - [ -0.0005732200000000, 0.0000155200000000, -0.0005013300000000 ] - [ -0.0038895500000000, 0.0043931000000000, -0.0029755500000000 ] - [ 0.0007199000000000, 0.0000606700000000, -0.0005708100000000 ] - [ -0.0038895500000000, -0.0043931000000000, -0.0029755500000000 ] - [ 0.0007199000000000, -0.0000606700000000, -0.0005708100000000 ] - [ 0.0004214400000000, 0.0000000000000000, -0.0012340700000000 ] - [ 0.0006442600000000, 0.0000000000000000, -0.0005457200000000 ] - [ 0.0048763500000000, 0.0000000000000000, 0.0015529400000000 ] - [ -0.0011271600000000, 0.0000000000000000, 0.0001819600000000 ] - [ 0.0000321500000000, -0.0006557200000000, 0.0005130200000000 ] - [ -0.0007335900000000, -0.0001325300000000, 0.0003434200000000 ] - [ 0.0000321500000000, 0.0006557200000000, 0.0005130200000000 ] - [ -0.0007335900000000, 0.0001325300000000, 0.0003434200000000 ] - [ -0.0046070700000000, -0.0051575200000000, 0.0045320200000000 ] - [ 0.0006420100000000, 0.0000409400000000, 0.0006444700000000 ] - [ -0.0046070700000000, 0.0051575200000000, 0.0045320200000000 ] - [ 0.0006420100000000, -0.0000409400000000, 0.0006444700000000 ] - [ 0.0000140800000000, 0.0000000000000000, 0.0008389100000000 ] - [ 0.0006331000000000, 0.0000000000000000, 0.0005994700000000 ] - [ -0.0008107000000000, 0.0000000000000000, -0.0665746200000000 ] - [ -0.0005003200000000, 0.0000000000000000, 0.0006400200000000 ] - [ -0.0016422400000000, 0.0003841400000000, -0.0022741700000000 ] - [ -0.0005064800000000, -0.0000120200000000, 0.0006446000000000 ] - [ -0.0016422400000000, -0.0003841400000000, -0.0022741700000000 ] - [ -0.0005064800000000, 0.0000120200000000, 0.0006446000000000 ] - [ 0.0034369900000000, 0.0066823100000000, 0.0075457400000000 ] - [ 0.0005616500000000, 0.0000352500000000, -0.0006978300000000 ] - [ 0.0034369900000000, -0.0066823100000000, 0.0075457400000000 ] - [ 0.0005616500000000, -0.0000352500000000, -0.0006978300000000 ] - [ 0.0008030100000000, 0.0000000000000000, -0.0004007300000000 ] - [ 0.0005862700000000, 0.0000000000000000, -0.0006897000000000 ] - [ -0.0012145400000000, 0.0000000000000000, -0.0007878000000000 ] - [ 0.0008881000000000, 0.0000000000000000, -0.0007838800000000 ] - [ -0.0006414400000000, -0.0000051800000000, -0.0006931300000000 ] - [ 0.0002964500000000, 0.0005033900000000, -0.0006907500000000 ] - [ -0.0006414400000000, 0.0000051800000000, -0.0006931300000000 ] - [ 0.0002964500000000, -0.0005033900000000, -0.0006907500000000 ] - [ -0.0000601200000000, 0.0012913700000000, 0.0023950900000000 ] - [ 0.0005607600000000, 0.0000060000000000, 0.0008739700000000 ] - [ -0.0000601200000000, -0.0012913700000000, 0.0023950900000000 ] - [ 0.0005607600000000, -0.0000060000000000, 0.0008739700000000 ] - [ 0.0004923300000000, 0.0000000000000000, 0.0010994600000000 ] - [ 0.0005817000000000, 0.0000000000000000, 0.0007739700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0089649200000000, 0.0000000000000000, -0.0118140300000000 ] - [ 0.0004973100000000, 0.0000000000000000, 0.0000510800000000 ] - [ 0.0011020100000000, -0.0001823200000000, -0.0007705900000000 ] - [ 0.0005062100000000, -0.0000034800000000, 0.0000420600000000 ] - [ 0.0011020100000000, 0.0001823200000000, -0.0007705900000000 ] - [ 0.0005062100000000, 0.0000034800000000, 0.0000420600000000 ] - [ -0.0028390800000000, 0.0011710800000000, 0.0049461800000000 ] - [ -0.0006493100000000, -0.0000038000000000, 0.0001910700000000 ] - [ -0.0028390800000000, -0.0011710800000000, 0.0049461800000000 ] - [ -0.0006493100000000, 0.0000038000000000, 0.0001910700000000 ] - [ -0.0007313900000000, 0.0000000000000000, 0.0001628200000000 ] - [ -0.0006297200000000, 0.0000000000000000, 0.0001478900000000 ] - [ -0.0010238300000000, 0.0000000000000000, -0.0016866200000000 ] - [ 0.0005702600000000, 0.0000000000000000, 0.0000461300000000 ] - [ -0.0002313900000000, -0.0000470000000000, -0.0008531000000000 ] - [ 0.0005178800000000, -0.0000104200000000, -0.0000014100000000 ] - [ -0.0002313900000000, 0.0000470000000000, -0.0008531000000000 ] - [ 0.0005178800000000, 0.0000104200000000, -0.0000014100000000 ] - [ -0.0039653600000000, 0.0007995200000000, -0.0045544200000000 ] - [ -0.0005010000000000, 0.0000023800000000, 0.0000494800000000 ] - [ -0.0039653600000000, -0.0007995200000000, -0.0045544200000000 ] - [ -0.0005010000000000, -0.0000023800000000, 0.0000494800000000 ] - [ -0.0005654800000000, 0.0000000000000000, -0.0000656700000000 ] - [ -0.0004960700000000, 0.0000000000000000, 0.0000705800000000 ] - [ 0.0006428900000000, 0.0000000000000000, -0.0095257000000000 ] - [ -0.0012467500000000, 0.0000000000000000, 0.0000675700000000 ] - [ -0.0019455700000000, -0.0012804400000000, 0.0001366000000000 ] - [ -0.0012563200000000, -0.0000142000000000, 0.0000691300000000 ] - [ -0.0019455700000000, 0.0012804400000000, 0.0001366000000000 ] - [ -0.0012563200000000, 0.0000142000000000, 0.0000691300000000 ] - [ 0.0021429800000000, 0.0007162000000000, -0.0054788400000000 ] - [ 0.0013523500000000, 0.0000377000000000, -0.0003229100000000 ] - [ 0.0021429800000000, -0.0007162000000000, -0.0054788400000000 ] - [ 0.0013523500000000, -0.0000377000000000, -0.0003229100000000 ] - [ 0.0011007300000000, 0.0000000000000000, -0.0005328500000000 ] - [ 0.0013496600000000, 0.0000000000000000, -0.0002512200000000 ] - [ -0.0013872000000000, 0.0000000000000000, 0.0023556000000000 ] - [ -0.0014660200000000, 0.0000000000000000, 0.0004166800000000 ] - [ -0.0013701400000000, 0.0005044800000000, 0.0008828400000000 ] - [ -0.0013216700000000, -0.0001151600000000, 0.0002262200000000 ] - [ -0.0013701400000000, -0.0005044800000000, 0.0008828400000000 ] - [ -0.0013216700000000, 0.0001151600000000, 0.0002262200000000 ] - [ -0.0000487900000000, -0.0013156500000000, -0.0047474600000000 ] - [ -0.0001978300000000, -0.0000368300000000, -0.0006762800000000 ] - [ -0.0000487900000000, 0.0013156500000000, -0.0047474600000000 ] - [ -0.0001978300000000, 0.0000368300000000, -0.0006762800000000 ] - [ -0.0005993500000000, 0.0000000000000000, -0.0007345000000000 ] - [ -0.0002975800000000, 0.0000000000000000, -0.0006024000000000 ] - [ 0.0027579600000000, 0.0000000000000000, 0.0025869000000000 ] - [ 0.0005092800000000, 0.0000000000000000, -0.0004315800000000 ] - [ 0.0014365900000000, -0.0007472700000000, 0.0004369600000000 ] - [ 0.0005933900000000, -0.0000207400000000, -0.0004425100000000 ] - [ 0.0014365900000000, 0.0007472700000000, 0.0004369600000000 ] - [ 0.0005933900000000, 0.0000207400000000, -0.0004425100000000 ] - [ -0.0009035900000000, 0.0018216800000000, -0.0047001700000000 ] - [ -0.0005558700000000, 0.0000099500000000, 0.0004451600000000 ] - [ -0.0009035900000000, -0.0018216800000000, -0.0047001700000000 ] - [ -0.0005558700000000, -0.0000099500000000, 0.0004451600000000 ] - [ -0.0005889100000000, 0.0000000000000000, 0.0000517500000000 ] - [ -0.0005805000000000, 0.0000000000000000, 0.0004394100000000 ] - [ -0.0056264600000000, 0.0000000000000000, 0.0115333100000000 ] - [ 0.0005983400000000, 0.0000000000000000, 0.0005256900000000 ] - [ 0.0004479400000000, -0.0002542500000000, 0.0014780000000000 ] - [ 0.0005853100000000, -0.0000184800000000, 0.0005180800000000 ] - [ 0.0004479400000000, 0.0002542500000000, 0.0014780000000000 ] - [ 0.0005853100000000, 0.0000184800000000, 0.0005180800000000 ] - [ 0.0033510000000000, -0.0004347100000000, 0.0032039300000000 ] - [ 0.0012620000000000, 0.0000296600000000, 0.0000635100000000 ] - [ 0.0033510000000000, 0.0004347100000000, 0.0032039300000000 ] - [ 0.0012620000000000, -0.0000296600000000, 0.0000635100000000 ] - [ 0.0014355700000000, 0.0000000000000000, 0.0002285800000000 ] - [ 0.0012221000000000, 0.0000000000000000, 0.0000589900000000 ] - [ 0.0009501300000000, -0.0008517100000000, 0.0022587800000000 ] - [ 0.0006938900000000, 0.0000117800000000, -0.0003606700000000 ] - [ 0.0009501300000000, 0.0008517100000000, 0.0022587800000000 ] - [ 0.0006938900000000, -0.0000117800000000, -0.0003606700000000 ] - [ 0.0005792500000000, 0.0000000000000000, 0.0000973700000000 ] - [ 0.0006983800000000, 0.0000000000000000, -0.0003641700000000 ] - [ 0.0010481900000000, 0.0002218600000000, 0.0005193000000000 ] - [ 0.0003161600000000, 0.0002917300000000, 0.0002563000000000 ] - [ 0.0010481900000000, -0.0002218600000000, 0.0005193000000000 ] - [ 0.0003161600000000, -0.0002917300000000, 0.0002563000000000 ] - [ 0.0008415300000000, 0.0000000000000000, 0.0004130300000000 ] - [ 0.0006287600000000, 0.0000000000000000, 0.0003384000000000 ] - [ 0.0003854000000000, 0.0000000000000000, -0.0103702300000000 ] - [ -0.0006830200000000, 0.0000000000000000, 0.0004044400000000 ] - [ -0.0008936900000000, 0.0010060500000000, 0.0004264900000000 ] - [ -0.0006790900000000, -0.0000061700000000, 0.0003982200000000 ] - [ -0.0008936900000000, -0.0010060500000000, 0.0004264900000000 ] - [ -0.0006790900000000, 0.0000061700000000, 0.0003982200000000 ] - [ -0.0011439200000000, 0.0000000000000000, -0.0015909100000000 ] - [ -0.0004944300000000, 0.0000000000000000, -0.0005481000000000 ] - [ -0.0007597100000000, -0.0002491500000000, -0.0009901300000000 ] - [ -0.0006845200000000, 0.0000192700000000, -0.0004777000000000 ] - [ -0.0007597100000000, 0.0002491500000000, -0.0009901300000000 ] - [ -0.0006845200000000, -0.0000192700000000, -0.0004777000000000 ] - [ -0.0084208900000000, 0.0000000000000000, -0.0125969800000000 ] - [ -0.0005725500000000, 0.0000000000000000, -0.0005269500000000 ] - [ -0.0009918800000000, -0.0010283000000000, -0.0019168000000000 ] - [ -0.0005687900000000, 0.0000158100000000, -0.0005245000000000 ] - [ -0.0009918800000000, 0.0010283000000000, -0.0019168000000000 ] - [ -0.0005687900000000, -0.0000158100000000, -0.0005245000000000 ] - [ 0.0050261100000000, -0.0043932200000000, 0.0019894500000000 ] - [ 0.0004250900000000, -0.0000607100000000, -0.0004530600000000 ] - [ 0.0050261100000000, 0.0043932200000000, 0.0019894500000000 ] - [ 0.0004250900000000, 0.0000607100000000, -0.0004530600000000 ] - [ 0.0007206500000000, 0.0000000000000000, 0.0002144300000000 ] - [ 0.0005007100000000, 0.0000000000000000, -0.0004785600000000 ] - [ -0.0060377700000000, 0.0000000000000000, -0.0004978700000000 ] - [ -0.0000126200000000, 0.0000000000000000, 0.0008462800000000 ] - [ -0.0011717600000000, 0.0006518500000000, 0.0005220100000000 ] - [ -0.0004080900000000, 0.0001324400000000, 0.0006834300000000 ] - [ -0.0011717600000000, -0.0006518500000000, 0.0005220100000000 ] - [ -0.0004080900000000, -0.0001324400000000, 0.0006834300000000 ] - [ 0.0057061900000000, 0.0051141800000000, -0.0034940000000000 ] - [ 0.0005008200000000, -0.0000414400000000, 0.0003799200000000 ] - [ 0.0057061900000000, -0.0051141800000000, -0.0034940000000000 ] - [ 0.0005008200000000, 0.0000414400000000, 0.0003799200000000 ] - [ 0.0011273100000000, 0.0000000000000000, 0.0001815500000000 ] - [ 0.0005101300000000, 0.0000000000000000, 0.0004253000000000 ] - [ -0.0005024200000000, 0.0000000000000000, 0.0677502000000000 ] - [ -0.0006429400000000, 0.0000000000000000, 0.0006650300000000 ] - [ 0.0004936500000000, -0.0004262100000000, 0.0035809400000000 ] - [ -0.0006366800000000, 0.0000119800000000, 0.0006610700000000 ] - [ 0.0004936500000000, 0.0004262100000000, 0.0035809400000000 ] - [ -0.0006366800000000, -0.0000119800000000, 0.0006610700000000 ] - [ -0.0023197000000000, -0.0067615800000000, -0.0089077800000000 ] - [ 0.0005826800000000, -0.0000354300000000, -0.0006068400000000 ] - [ -0.0023197000000000, 0.0067615800000000, -0.0089077800000000 ] - [ 0.0005826800000000, 0.0000354300000000, -0.0006068400000000 ] - [ 0.0003380200000000, 0.0000000000000000, -0.0008990100000000 ] - [ 0.0005576800000000, 0.0000000000000000, -0.0006157400000000 ] - [ 0.0000728200000000, 0.0000000000000000, -0.0005280700000000 ] - [ -0.0020376300000000, 0.0000000000000000, -0.0005241400000000 ] - [ -0.0004998000000000, 0.0000021900000000, -0.0006175000000000 ] - [ -0.0014446700000000, -0.0005058600000000, -0.0006151200000000 ] - [ -0.0004998000000000, -0.0000021900000000, -0.0006175000000000 ] - [ -0.0014446700000000, 0.0005058600000000, -0.0006151200000000 ] - [ 0.0012105800000000, -0.0013004900000000, -0.0010996900000000 ] - [ 0.0005776000000000, -0.0000091000000000, 0.0004320000000000 ] - [ 0.0012105800000000, 0.0013004900000000, -0.0010996900000000 ] - [ 0.0005776000000000, 0.0000091000000000, 0.0004320000000000 ] - [ 0.0006526300000000, 0.0000000000000000, 0.0002030200000000 ] - [ 0.0005562500000000, 0.0000000000000000, 0.0005319600000000 ]