# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7ac95113-e7bc-42ed-9452-59a65f6b7829/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 InSn2Br5 / I4/mcm (140) / materials id 23507](https://mdr.nims.go.jp/datasets/8f64cfda-6fd2-424f-8606-6529fda02e49) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4/mcm" number: 140 Hall_symbol: "-I 4 2c"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -4.039980195000000, 4.039980195000000, 7.076060600000000 ] # a - [ 4.039980195000000, -4.039980195000000, 7.076060600000000 ] # b - [ 4.039980195000000, 4.039980195000000, -7.076060600000000 ] # c points: - symbol: Br # 1 coordinates: [ 0.701501700000000, 0.201501700000000, 0.181669740000000 ] mass: 79.904000 - symbol: Br # 2 coordinates: [ 0.980168040000000, 0.480168040000000, 0.181669740000000 ] mass: 79.904000 - symbol: Br # 3 coordinates: [ 0.298498300000000, 0.798498300000000, 0.818330260000000 ] mass: 79.904000 - symbol: Br # 4 coordinates: [ 0.798498300000000, 0.980168040000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 5 coordinates: [ 0.480168040000000, 0.298498300000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.201501700000000, 0.019831960000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 9 coordinates: [ 0.019831960000000, 0.519831960000000, 0.818330260000000 ] mass: 79.904000 - symbol: Br # 10 coordinates: [ 0.519831960000000, 0.701501700000000, 0.500000000000000 ] mass: 79.904000 - symbol: In # 11 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 114.818000 - symbol: In # 12 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 114.818000 - symbol: Sn # 13 coordinates: [ 0.162422980000000, 0.337577020000000, 0.500000000000000 ] mass: 118.710000 - symbol: Sn # 14 coordinates: [ 0.662422980000000, 0.162422980000000, 0.824845960000000 ] mass: 118.710000 - symbol: Sn # 15 coordinates: [ 0.837577020000000, 0.662422980000000, 0.500000000000000 ] mass: 118.710000 - symbol: Sn # 16 coordinates: [ 0.337577020000000, 0.837577020000000, 0.175154040000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.123762982951950, 0.070660785465857 ] # a* - [ 0.123762982951950, 0.000000000000000, 0.070660785465857 ] # b* - [ 0.123762982951950, 0.123762982951950, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.079960390000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.079960390000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.152121200000000 ] # c points: - symbol: Br # 1 coordinates: [ 0.840834870000000, 0.340834870000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 2 coordinates: [ 0.340834870000000, 0.840834870000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 2 - symbol: Br # 3 coordinates: [ 0.659165130000000, 0.159165130000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 4 coordinates: [ 0.840834870000000, 0.659165130000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 4 - symbol: Br # 5 coordinates: [ 0.159165130000000, 0.340834870000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.659165130000000, 0.840834870000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.159165130000000, 0.659165130000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.340834870000000, 0.159165130000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 11 coordinates: [ 0.340834870000000, 0.840834870000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 12 coordinates: [ 0.840834870000000, 0.340834870000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 2 - symbol: Br # 13 coordinates: [ 0.159165130000000, 0.659165130000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 3 - symbol: Br # 14 coordinates: [ 0.340834870000000, 0.159165130000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 4 - symbol: Br # 15 coordinates: [ 0.659165130000000, 0.840834870000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 16 coordinates: [ 0.159165130000000, 0.340834870000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 19 coordinates: [ 0.659165130000000, 0.159165130000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 20 coordinates: [ 0.840834870000000, 0.659165130000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 10 - symbol: In # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 22 - symbol: In # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 21 - symbol: In # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 22 - symbol: Sn # 25 coordinates: [ 0.337577020000000, 0.162422980000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 26 coordinates: [ 0.162422980000000, 0.662422980000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 26 - symbol: Sn # 27 coordinates: [ 0.662422980000000, 0.837577020000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 27 - symbol: Sn # 28 coordinates: [ 0.837577020000000, 0.337577020000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 28 - symbol: Sn # 29 coordinates: [ 0.837577020000000, 0.662422980000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 30 coordinates: [ 0.662422980000000, 0.162422980000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 26 - symbol: Sn # 31 coordinates: [ 0.162422980000000, 0.337577020000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 27 - symbol: Sn # 32 coordinates: [ 0.337577020000000, 0.837577020000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 28supercell: lattice: - [ 16.159920780000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.159920780000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.152121200000000 ] # c points: - symbol: Br # 1 coordinates: [ 0.420417435000000, 0.170417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 2 coordinates: [ 0.920417435000000, 0.170417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 3 coordinates: [ 0.420417435000000, 0.670417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 4 coordinates: [ 0.920417435000000, 0.670417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 5 coordinates: [ 0.170417435000000, 0.420417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.670417435000000, 0.420417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 7 coordinates: [ 0.170417435000000, 0.920417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 8 coordinates: [ 0.670417435000000, 0.920417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 9 coordinates: [ 0.329582565000000, 0.079582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.829582565000000, 0.079582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 11 coordinates: [ 0.329582565000000, 0.579582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 12 coordinates: [ 0.829582565000000, 0.579582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 13 coordinates: [ 0.420417435000000, 0.329582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.920417435000000, 0.329582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 15 coordinates: [ 0.420417435000000, 0.829582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 16 coordinates: [ 0.920417435000000, 0.829582565000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 17 coordinates: [ 0.079582565000000, 0.170417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.579582565000000, 0.170417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 19 coordinates: [ 0.079582565000000, 0.670417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 20 coordinates: [ 0.579582565000000, 0.670417435000000, 0.139333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 21 coordinates: [ 0.329582565000000, 0.420417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.829582565000000, 0.420417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 23 coordinates: [ 0.329582565000000, 0.920417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 24 coordinates: [ 0.829582565000000, 0.920417435000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 27 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 28 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 31 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 32 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 33 coordinates: [ 0.079582565000000, 0.329582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.579582565000000, 0.329582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 35 coordinates: [ 0.079582565000000, 0.829582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 36 coordinates: [ 0.579582565000000, 0.829582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 37 coordinates: [ 0.170417435000000, 0.079582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 38 coordinates: [ 0.670417435000000, 0.079582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 39 coordinates: [ 0.170417435000000, 0.579582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 40 coordinates: [ 0.670417435000000, 0.579582565000000, 0.360666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 41 coordinates: [ 0.170417435000000, 0.420417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 42 coordinates: [ 0.670417435000000, 0.420417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 43 coordinates: [ 0.170417435000000, 0.920417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 44 coordinates: [ 0.670417435000000, 0.920417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 1 - symbol: Br # 45 coordinates: [ 0.420417435000000, 0.170417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 46 coordinates: [ 0.920417435000000, 0.170417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 47 coordinates: [ 0.420417435000000, 0.670417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 48 coordinates: [ 0.920417435000000, 0.670417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 49 coordinates: [ 0.079582565000000, 0.329582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 50 coordinates: [ 0.579582565000000, 0.329582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 51 coordinates: [ 0.079582565000000, 0.829582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 52 coordinates: [ 0.579582565000000, 0.829582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 53 coordinates: [ 0.170417435000000, 0.079582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 54 coordinates: [ 0.670417435000000, 0.079582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 55 coordinates: [ 0.170417435000000, 0.579582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 56 coordinates: [ 0.670417435000000, 0.579582565000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 57 coordinates: [ 0.329582565000000, 0.420417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 58 coordinates: [ 0.829582565000000, 0.420417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 59 coordinates: [ 0.329582565000000, 0.920417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 60 coordinates: [ 0.829582565000000, 0.920417435000000, 0.639333170000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 61 coordinates: [ 0.079582565000000, 0.170417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 62 coordinates: [ 0.579582565000000, 0.170417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 63 coordinates: [ 0.079582565000000, 0.670417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 64 coordinates: [ 0.579582565000000, 0.670417435000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 73 coordinates: [ 0.329582565000000, 0.079582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 74 coordinates: [ 0.829582565000000, 0.079582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 75 coordinates: [ 0.329582565000000, 0.579582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 76 coordinates: [ 0.829582565000000, 0.579582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 77 coordinates: [ 0.420417435000000, 0.329582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 78 coordinates: [ 0.920417435000000, 0.329582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 79 coordinates: [ 0.420417435000000, 0.829582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 80 coordinates: [ 0.920417435000000, 0.829582565000000, 0.860666830000000 ] mass: 79.904000 reduced_to: 37 - symbol: In # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 85 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 86 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 87 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 88 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 89 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 90 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 91 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 92 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 81 - symbol: In # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 95 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: In # 96 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 85 - symbol: Sn # 97 coordinates: [ 0.168788510000000, 0.081211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 98 coordinates: [ 0.668788510000000, 0.081211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 99 coordinates: [ 0.168788510000000, 0.581211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 100 coordinates: [ 0.668788510000000, 0.581211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 101 coordinates: [ 0.081211490000000, 0.331211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 102 coordinates: [ 0.581211490000000, 0.331211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 103 coordinates: [ 0.081211490000000, 0.831211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 104 coordinates: [ 0.581211490000000, 0.831211490000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 105 coordinates: [ 0.331211490000000, 0.418788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 106 coordinates: [ 0.831211490000000, 0.418788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 107 coordinates: [ 0.331211490000000, 0.918788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 108 coordinates: [ 0.831211490000000, 0.918788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 109 coordinates: [ 0.418788510000000, 0.168788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 110 coordinates: [ 0.918788510000000, 0.168788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 111 coordinates: [ 0.418788510000000, 0.668788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 112 coordinates: [ 0.918788510000000, 0.668788510000000, 0.000000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 113 coordinates: [ 0.418788510000000, 0.331211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 114 coordinates: [ 0.918788510000000, 0.331211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 115 coordinates: [ 0.418788510000000, 0.831211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 116 coordinates: [ 0.918788510000000, 0.831211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 117 coordinates: [ 0.331211490000000, 0.081211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 118 coordinates: [ 0.831211490000000, 0.081211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 119 coordinates: [ 0.331211490000000, 0.581211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 120 coordinates: [ 0.831211490000000, 0.581211490000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 121 coordinates: [ 0.081211490000000, 0.168788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 122 coordinates: [ 0.581211490000000, 0.168788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 123 coordinates: [ 0.081211490000000, 0.668788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 124 coordinates: [ 0.581211490000000, 0.668788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 125 coordinates: [ 0.168788510000000, 0.418788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 126 coordinates: [ 0.668788510000000, 0.418788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 127 coordinates: [ 0.168788510000000, 0.918788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109 - symbol: Sn # 128 coordinates: [ 0.668788510000000, 0.918788510000000, 0.500000000000000 ] mass: 118.710000 reduced_to: 109displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0213266600000000, -0.0036433300000000, 0.0067291200000000 ] - [ 0.0004981100000000, 0.0000998200000000, -0.0001062200000000 ] - [ -0.0001132200000000, 0.0000993600000000, 0.0000503300000000 ] - [ 0.0001763700000000, 0.0000289000000000, -0.0000538400000000 ] - [ 0.0002978000000000, -0.0006062400000000, 0.0005222800000000 ] - [ 0.0000423200000000, 0.0000724200000000, -0.0000938500000000 ] - [ 0.0000440200000000, 0.0000715100000000, 0.0000201800000000 ] - [ 0.0002980900000000, -0.0000963700000000, -0.0002847700000000 ] - [ 0.0001320900000000, 0.0003443300000000, 0.0011447500000000 ] - [ 0.0001793200000000, -0.0000384000000000, -0.0000818200000000 ] - [ -0.0001290200000000, -0.0000385300000000, -0.0000030900000000 ] - [ 0.0000609900000000, -0.0000219500000000, -0.0000342200000000 ] - [ -0.0001880000000000, 0.0001146200000000, -0.0002375400000000 ] - [ 0.0001781700000000, -0.0000150500000000, -0.0000285000000000 ] - [ -0.0002764200000000, -0.0003420300000000, -0.0003150800000000 ] - [ 0.0001416000000000, -0.0000282100000000, 0.0000135000000000 ] - [ 0.0005032500000000, 0.0003404800000000, 0.0004148600000000 ] - [ 0.0001698100000000, -0.0001165700000000, -0.0005205400000000 ] - [ 0.0000232200000000, 0.0000281300000000, 0.0000043200000000 ] - [ -0.0000501200000000, 0.0000152500000000, -0.0000343100000000 ] - [ -0.0003015900000000, -0.0001122000000000, -0.0002375400000000 ] - [ 0.0001846500000000, 0.0000988900000000, -0.0000176500000000 ] - [ -0.0003037900000000, 0.0004425400000000, 0.0002062800000000 ] - [ 0.0001850200000000, -0.0000591700000000, 0.0000126000000000 ] - [ 0.0002089200000000, 0.0000503100000000, 0.0000335700000000 ] - [ -0.0001317300000000, 0.0000267100000000, -0.0001878400000000 ] - [ 0.0001625000000000, -0.0000643000000000, 0.0000360000000000 ] - [ -0.0001178500000000, 0.0000148100000000, 0.0000049500000000 ] - [ -0.0001259200000000, -0.0000001800000000, 0.0003466700000000 ] - [ 0.0001481800000000, 0.0000391200000000, -0.0000085100000000 ] - [ -0.0001131000000000, -0.0000470800000000, -0.0000600400000000 ] - [ 0.0001016500000000, -0.0000302100000000, -0.0000040700000000 ] - [ 0.0005860900000000, -0.0003545300000000, -0.0004142600000000 ] - [ 0.0020393700000000, 0.0024131700000000, 0.0009258400000000 ] - [ 0.0002456500000000, 0.0001737300000000, 0.0001566500000000 ] - [ -0.0002631000000000, -0.0003565400000000, 0.0001648600000000 ] - [ 0.0006969600000000, 0.0001075900000000, -0.0002174000000000 ] - [ 0.0007138700000000, -0.0004434600000000, -0.0002096300000000 ] - [ 0.0000341800000000, -0.0000979600000000, 0.0000440900000000 ] - [ 0.0000333200000000, 0.0000583800000000, -0.0000125000000000 ] - [ 0.0000040700000000, -0.0000718300000000, 0.0000183400000000 ] - [ 0.0000463300000000, 0.0000949800000000, 0.0000925700000000 ] - [ 0.0000487300000000, 0.0000956400000000, -0.0000741100000000 ] - [ 0.0000034600000000, -0.0000528600000000, 0.0000757600000000 ] - [ -0.0015010200000000, -0.0009153700000000, -0.0004827000000000 ] - [ 0.0005450900000000, 0.0001138200000000, 0.0001122000000000 ] - [ -0.0001627300000000, 0.0001132600000000, -0.0000221800000000 ] - [ 0.0001689400000000, 0.0000109300000000, 0.0000377800000000 ] - [ 0.0005188500000000, -0.0002923900000000, -0.0000983000000000 ] - [ -0.0002204800000000, 0.0010944400000000, 0.0004266700000000 ] - [ 0.0001741600000000, 0.0000958100000000, -0.0000646300000000 ] - [ -0.0001062500000000, -0.0002953000000000, 0.0001333200000000 ] - [ 0.0022687400000000, -0.0001528700000000, -0.0008949300000000 ] - [ 0.0022764300000000, -0.0026540900000000, 0.0024348600000000 ] - [ 0.0000696200000000, -0.0000879100000000, -0.0000451400000000 ] - [ 0.0000677300000000, 0.0002320800000000, 0.0000905100000000 ] - [ -0.0004668400000000, 0.0001442300000000, 0.0002944400000000 ] - [ 0.0003741400000000, 0.0000898600000000, 0.0000665600000000 ] - [ -0.0004766700000000, 0.0026373200000000, -0.0010778000000000 ] - [ 0.0003742500000000, -0.0002325500000000, -0.0000792800000000 ] - [ 0.0001212100000000, 0.0000201400000000, -0.0000816000000000 ] - [ -0.0001409000000000, 0.0000512100000000, 0.0000505400000000 ] - [ 0.0001189200000000, 0.0000046000000000, -0.0000102600000000 ] - [ -0.0000569000000000, 0.0000137400000000, 0.0000291700000000 ] - [ 0.0040322900000000, -0.0022776500000000, -0.0030081100000000 ] - [ 0.0022901900000000, 0.0009979100000000, -0.0000191600000000 ] - [ -0.0001672700000000, 0.0002124700000000, 0.0000458700000000 ] - [ 0.0001946600000000, -0.0001250000000000, 0.0000267400000000 ] - [ 0.0006681900000000, 0.0000450100000000, -0.0000006300000000 ] - [ 0.0001081700000000, -0.0023692800000000, 0.0016058600000000 ] - [ 0.0004197400000000, 0.0000697800000000, -0.0000132300000000 ] - [ -0.0002495600000000, 0.0001205000000000, 0.0000015600000000 ] - [ -0.0002131300000000, 0.0000650000000000, -0.0000253700000000 ] - [ 0.0002256200000000, -0.0000080400000000, 0.0001184700000000 ] - [ -0.0001578400000000, -0.0000067600000000, -0.0000495500000000 ] - [ 0.0000635400000000, -0.0000342100000000, 0.0000411300000000 ] - [ -0.0001398000000000, -0.0000504300000000, -0.0000021300000000 ] - [ 0.0002039600000000, -0.0000131900000000, 0.0000799000000000 ] - [ -0.0001546200000000, -0.0000217500000000, -0.0001075200000000 ] - [ 0.0002008600000000, -0.0000039700000000, -0.0000414500000000 ] - [ -0.0003205200000000, -0.0001325400000000, -0.0000349500000000 ] - [ 0.0005198400000000, 0.0004902100000000, 0.0003984100000000 ] - [ -0.0002302400000000, 0.0000828000000000, 0.0000307100000000 ] - [ 0.0002107100000000, -0.0001397100000000, 0.0000911800000000 ] - [ 0.0011708600000000, 0.0000249300000000, -0.0000278100000000 ] - [ -0.0002990700000000, -0.0000922900000000, 0.0003154200000000 ] - [ 0.0000791200000000, -0.0000626700000000, -0.0000770000000000 ] - [ -0.0000966300000000, 0.0000514000000000, 0.0000473100000000 ] - [ 0.0001866800000000, 0.0002215100000000, 0.0004167300000000 ] - [ -0.0002711500000000, -0.0002575200000000, -0.0003816000000000 ] - [ -0.0001030600000000, -0.0003247400000000, 0.0001767600000000 ] - [ -0.0000973500000000, 0.0000379800000000, -0.0000733800000000 ] - [ -0.0004836100000000, -0.0001357700000000, 0.0001432000000000 ] - [ 0.0007532800000000, 0.0001268700000000, -0.0001560800000000 ] - [ -0.0001840700000000, 0.0000460200000000, -0.0000048500000000 ] - [ 0.0002080600000000, -0.0001470500000000, -0.0001212600000000 ] - [ 0.0000741500000000, -0.0003017900000000, -0.0001703900000000 ] - [ -0.0001439700000000, 0.0000454900000000, 0.0001887700000000 ] - [ 0.0000964800000000, 0.0001700200000000, -0.0001504100000000 ] - [ 0.0000275600000000, -0.0000922100000000, -0.0000073000000000 ] - [ -0.0004143700000000, 0.0000098300000000, -0.0002921600000000 ] - [ 0.0000684300000000, -0.0001609000000000, 0.0000536500000000 ] - [ -0.0002007100000000, -0.0001375800000000, 0.0000488600000000 ] - [ 0.0001084700000000, 0.0000995000000000, 0.0001189100000000 ] - [ 0.0003479500000000, 0.0001274700000000, 0.0000140000000000 ] - [ -0.0002778200000000, 0.0000238500000000, -0.0000145100000000 ] - [ 0.0002626100000000, -0.0001229300000000, 0.0001732900000000 ] - [ -0.0004226800000000, 0.0001354000000000, 0.0000696500000000 ] - [ 0.0006729000000000, 0.0001243200000000, 0.0000915200000000 ] - [ -0.0004754400000000, -0.0000016200000000, -0.0001532200000000 ] - [ 0.0002546400000000, 0.0001664300000000, 0.0001031400000000 ] - [ -0.0001515500000000, 0.0000837500000000, 0.0000135600000000 ] - [ 0.0018951200000000, -0.0000026800000000, -0.0004769500000000 ] - [ -0.0013780500000000, -0.0004272600000000, 0.0000764100000000 ] - [ 0.0013742600000000, -0.0002105500000000, -0.0005335200000000 ] - [ -0.0004213200000000, -0.0000591700000000, 0.0000955700000000 ] - [ 0.0077996700000000, 0.0042718100000000, -0.0046188200000000 ] - [ -0.0014820600000000, 0.0001764900000000, 0.0001760600000000 ] - [ 0.0002855100000000, -0.0000955100000000, 0.0000336500000000 ] - [ -0.0004630700000000, -0.0001567100000000, 0.0000285000000000 ] - [ -0.0015740700000000, 0.0002235400000000, -0.0003800700000000 ] - [ -0.0013272500000000, 0.0010886600000000, -0.0019621800000000 ] - [ -0.0002868000000000, -0.0000114700000000, -0.0000038800000000 ] - [ 0.0000844500000000, 0.0000754800000000, -0.0001012300000000 ] - [ -0.0001636900000000, 0.0012060800000000, 0.0000079000000000 ] - [ -0.0001412700000000, -0.0006946600000000, -0.0004182700000000 ] - [ -0.0009176900000000, -0.0010627700000000, -0.0002917400000000 ] - [ -0.0001720900000000, 0.0009352500000000, 0.0002866600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0214389200000000, 0.0037403000000000, -0.0070131200000000 ] - [ -0.0004374000000000, -0.0000420100000000, 0.0001062500000000 ] - [ 0.0001698900000000, -0.0000423400000000, -0.0000499800000000 ] - [ -0.0001176100000000, 0.0000287000000000, 0.0000530800000000 ] - [ -0.0002416800000000, 0.0006692100000000, -0.0005281500000000 ] - [ 0.0000143400000000, -0.0000138700000000, 0.0000929100000000 ] - [ 0.0000161400000000, -0.0000133400000000, -0.0000211800000000 ] - [ -0.0002410100000000, 0.0001550300000000, 0.0002863300000000 ] - [ -0.0001876600000000, -0.0004019800000000, -0.0011442800000000 ] - [ -0.0002373500000000, -0.0000194500000000, 0.0000805600000000 ] - [ 0.0000719700000000, -0.0000197100000000, 0.0000030300000000 ] - [ -0.0001193800000000, -0.0000362300000000, 0.0000357300000000 ] - [ 0.0002457000000000, -0.0001749400000000, 0.0002406500000000 ] - [ -0.0001209100000000, -0.0000423000000000, 0.0000274800000000 ] - [ 0.0003336100000000, 0.0002836000000000, 0.0003148500000000 ] - [ -0.0000830500000000, -0.0000304400000000, -0.0000130200000000 ] - [ -0.0005629600000000, -0.0002855100000000, -0.0004166000000000 ] - [ -0.0002217500000000, 0.0001732500000000, 0.0005118700000000 ] - [ -0.0000804800000000, 0.0000297100000000, -0.0000046600000000 ] - [ -0.0000080400000000, 0.0000423900000000, 0.0000354600000000 ] - [ 0.0002474900000000, 0.0001662800000000, 0.0002399500000000 ] - [ -0.0002421400000000, -0.0000391900000000, 0.0000182200000000 ] - [ 0.0002453200000000, -0.0003811700000000, -0.0002064400000000 ] - [ -0.0002427100000000, 0.0001164500000000, -0.0000115800000000 ] - [ -0.0002067800000000, -0.0000507800000000, -0.0000349800000000 ] - [ 0.0001301400000000, -0.0000262500000000, 0.0001881200000000 ] - [ -0.0001624700000000, 0.0000649100000000, -0.0000374000000000 ] - [ 0.0001165600000000, -0.0000154200000000, -0.0000054600000000 ] - [ 0.0001271800000000, -0.0000006200000000, -0.0003512900000000 ] - [ -0.0001486700000000, -0.0000393200000000, 0.0000077100000000 ] - [ 0.0001144700000000, 0.0000484100000000, 0.0000595500000000 ] - [ -0.0001012000000000, 0.0000308100000000, 0.0000039100000000 ] - [ -0.0006421200000000, 0.0002995900000000, 0.0004168400000000 ] - [ -0.0020570700000000, -0.0024179600000000, -0.0009173300000000 ] - [ -0.0003015000000000, -0.0002323800000000, -0.0001564200000000 ] - [ 0.0002036500000000, 0.0002976200000000, -0.0001668500000000 ] - [ -0.0006538200000000, -0.0001711600000000, 0.0002230000000000 ] - [ -0.0006362300000000, 0.0003800700000000, 0.0002142300000000 ] - [ 0.0000248600000000, 0.0000395700000000, -0.0000444500000000 ] - [ 0.0000237800000000, -0.0001162800000000, 0.0000137000000000 ] - [ 0.0000554300000000, 0.0001295300000000, -0.0000203500000000 ] - [ 0.0000098900000000, -0.0000369400000000, -0.0000938300000000 ] - [ 0.0000114300000000, -0.0000369900000000, 0.0000735400000000 ] - [ 0.0000537700000000, 0.0001098400000000, -0.0000744700000000 ] - [ 0.0015565200000000, 0.0009781700000000, 0.0004726300000000 ] - [ -0.0004836500000000, -0.0000565700000000, -0.0001114600000000 ] - [ 0.0002194400000000, -0.0000562400000000, 0.0000216500000000 ] - [ -0.0001092900000000, 0.0000470500000000, -0.0000362900000000 ] - [ -0.0005777000000000, 0.0002363900000000, 0.0001015500000000 ] - [ 0.0001499700000000, -0.0011399700000000, -0.0004231600000000 ] - [ -0.0002308400000000, -0.0001535800000000, 0.0000638100000000 ] - [ 0.0000463200000000, 0.0002352400000000, -0.0001319700000000 ] - [ -0.0021977100000000, 0.0000916000000000, 0.0008924600000000 ] - [ -0.0021899800000000, 0.0025607700000000, -0.0024025000000000 ] - [ -0.0000102900000000, 0.0000304900000000, 0.0000472400000000 ] - [ -0.0000122500000000, -0.0002885600000000, -0.0000912600000000 ] - [ 0.0004264200000000, -0.0000997600000000, -0.0003077300000000 ] - [ -0.0004314700000000, -0.0000298600000000, -0.0000645600000000 ] - [ 0.0004178100000000, -0.0025781200000000, 0.0010768700000000 ] - [ -0.0004309700000000, 0.0002882600000000, 0.0000765300000000 ] - [ -0.0001761300000000, 0.0000360000000000, 0.0000814900000000 ] - [ 0.0000830100000000, 0.0000069400000000, -0.0000493500000000 ] - [ -0.0001771600000000, 0.0000539000000000, 0.0000090900000000 ] - [ -0.0000020200000000, 0.0000445000000000, -0.0000291300000000 ] - [ -0.0040985300000000, 0.0023245500000000, 0.0030705000000000 ] - [ -0.0022645200000000, -0.0009854200000000, 0.0000189900000000 ] - [ 0.0001685700000000, -0.0002127600000000, -0.0000461000000000 ] - [ -0.0001953000000000, 0.0001240000000000, -0.0000266000000000 ] - [ -0.0006651400000000, -0.0000454200000000, 0.0000012100000000 ] - [ -0.0001159900000000, 0.0023632500000000, -0.0016013700000000 ] - [ -0.0004171700000000, -0.0000669200000000, 0.0000140100000000 ] - [ 0.0002413100000000, -0.0001332200000000, -0.0000009400000000 ] - [ 0.0001553500000000, -0.0001217400000000, 0.0000254800000000 ] - [ -0.0002844700000000, -0.0000508900000000, -0.0001179500000000 ] - [ 0.0001011200000000, -0.0000505500000000, 0.0000485100000000 ] - [ -0.0001209000000000, -0.0000230800000000, -0.0000425800000000 ] - [ 0.0001974400000000, -0.0000081500000000, 0.0000014700000000 ] - [ -0.0001456600000000, -0.0000443000000000, -0.0000801800000000 ] - [ 0.0002117200000000, -0.0000364700000000, 0.0001068200000000 ] - [ -0.0001431000000000, -0.0000538100000000, 0.0000414100000000 ] - [ 0.0003201100000000, 0.0001349200000000, 0.0000343800000000 ] - [ -0.0005116400000000, -0.0005012200000000, -0.0004048000000000 ] - [ 0.0002306000000000, -0.0000844100000000, -0.0000296700000000 ] - [ -0.0002075100000000, 0.0001389100000000, -0.0000908600000000 ] - [ -0.0012567200000000, 0.0000156800000000, -0.0000256000000000 ] - [ 0.0002996400000000, 0.0000920800000000, -0.0003138700000000 ] - [ -0.0000804600000000, 0.0000615900000000, 0.0000753800000000 ] - [ 0.0000956300000000, -0.0000519200000000, -0.0000466100000000 ] - [ -0.0001884200000000, -0.0002225300000000, -0.0004149900000000 ] - [ 0.0002699700000000, 0.0002521600000000, 0.0003780100000000 ] - [ 0.0001023900000000, 0.0003244600000000, -0.0001759000000000 ] - [ 0.0000968600000000, -0.0000363300000000, 0.0000736600000000 ] - [ 0.0004823700000000, 0.0001357900000000, -0.0001428500000000 ] - [ -0.0007465100000000, -0.0001253300000000, 0.0001549100000000 ] - [ 0.0001831300000000, -0.0000459500000000, 0.0000043700000000 ] - [ -0.0002052800000000, 0.0001472400000000, 0.0001217600000000 ] - [ 0.0000510400000000, 0.0001735600000000, 0.0001684100000000 ] - [ 0.0002719700000000, -0.0001699400000000, -0.0001919300000000 ] - [ 0.0000345200000000, -0.0003022800000000, 0.0001510800000000 ] - [ 0.0001054000000000, -0.0000375500000000, 0.0000066700000000 ] - [ 0.0002858900000000, -0.0001392700000000, 0.0002948100000000 ] - [ -0.0001956400000000, 0.0000274200000000, -0.0000540500000000 ] - [ 0.0000672700000000, 0.0000036800000000, -0.0000493800000000 ] - [ -0.0002334700000000, -0.0002281800000000, -0.0001234700000000 ] - [ -0.0004822900000000, 0.0000016400000000, -0.0000143100000000 ] - [ 0.0001443300000000, 0.0001068500000000, 0.0000156200000000 ] - [ -0.0003926200000000, 0.0002488600000000, -0.0001754500000000 ] - [ 0.0002901800000000, -0.0000010500000000, -0.0000731200000000 ] - [ -0.0005381000000000, 0.0000093800000000, -0.0000989800000000 ] - [ 0.0006020800000000, 0.0001292200000000, 0.0001535300000000 ] - [ -0.0001220700000000, -0.0000338400000000, -0.0001059500000000 ] - [ 0.0002810600000000, 0.0000443600000000, -0.0000155700000000 ] - [ -0.0017558500000000, -0.0000974200000000, 0.0005006100000000 ] - [ 0.0014993500000000, 0.0002947900000000, -0.0000776300000000 ] - [ -0.0012470800000000, 0.0000848500000000, 0.0005358000000000 ] - [ 0.0005469000000000, -0.0000671200000000, -0.0000924400000000 ] - [ -0.0080309200000000, -0.0045679000000000, 0.0048372700000000 ] - [ 0.0013424200000000, -0.0003027400000000, -0.0001734300000000 ] - [ -0.0004137200000000, -0.0000283200000000, -0.0000335500000000 ] - [ 0.0003327700000000, 0.0000236100000000, -0.0000287400000000 ] - [ 0.0014403200000000, -0.0000949400000000, 0.0003757000000000 ] - [ 0.0012706400000000, -0.0009423900000000, 0.0020108800000000 ] - [ 0.0001579600000000, 0.0001366500000000, 0.0000040100000000 ] - [ -0.0002050500000000, 0.0000539600000000, 0.0001025100000000 ] - [ 0.0002825500000000, -0.0010851200000000, -0.0000110400000000 ] - [ 0.0002785100000000, 0.0008250100000000, 0.0004114700000000 ] - [ 0.0010454500000000, 0.0011928700000000, 0.0002932400000000 ] - [ 0.0003067500000000, -0.0007982500000000, -0.0002836400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0070225300000000, 0.0070225300000000, -0.0320745500000000 ] - [ -0.0000861100000000, 0.0000700800000000, -0.0001817200000000 ] - [ 0.0000700800000000, -0.0000861100000000, -0.0001817200000000 ] - [ -0.0000325200000000, -0.0000325200000000, -0.0000743600000000 ] - [ 0.0003054600000000, -0.0005032200000000, 0.0004989100000000 ] - [ -0.0000003400000000, -0.0000003400000000, 0.0000097700000000 ] - [ 0.0001141000000000, 0.0001141000000000, 0.0000081000000000 ] - [ -0.0005032200000000, 0.0003054600000000, 0.0004989100000000 ] - [ 0.0011075900000000, 0.0011075900000000, 0.0031505000000000 ] - [ -0.0001007900000000, -0.0000228400000000, -0.0000203700000000 ] - [ -0.0000228400000000, -0.0001007900000000, -0.0000203700000000 ] - [ -0.0000560100000000, -0.0000560100000000, -0.0000133200000000 ] - [ 0.0002574200000000, -0.0005297700000000, 0.0008238500000000 ] - [ 0.0000483300000000, -0.0000552500000000, -0.0000028400000000 ] - [ 0.0003345700000000, 0.0003948800000000, 0.0004237100000000 ] - [ 0.0000067300000000, -0.0000159400000000, -0.0000557900000000 ] - [ 0.0003948800000000, 0.0003345700000000, 0.0004237100000000 ] - [ -0.0005297700000000, 0.0002574200000000, 0.0008238500000000 ] - [ -0.0000159400000000, 0.0000067300000000, -0.0000557900000000 ] - [ -0.0000552500000000, 0.0000483300000000, -0.0000028400000000 ] - [ -0.0002272500000000, -0.0002018100000000, -0.0008230200000000 ] - [ -0.0000330700000000, 0.0000661600000000, -0.0001308500000000 ] - [ 0.0002181600000000, -0.0001911300000000, -0.0008236400000000 ] - [ -0.0000036000000000, 0.0000080500000000, -0.0001306600000000 ] - [ 0.0001296600000000, 0.0001215600000000, 0.0000652500000000 ] - [ -0.0000681200000000, 0.0000749300000000, 0.0004075300000000 ] - [ 0.0000640600000000, -0.0000863800000000, 0.0000417700000000 ] - [ -0.0000915400000000, -0.0001098000000000, 0.0000923900000000 ] - [ 0.0000749300000000, -0.0000681200000000, 0.0004075300000000 ] - [ -0.0001098000000000, -0.0000915400000000, 0.0000923900000000 ] - [ 0.0001215600000000, 0.0001296600000000, 0.0000652500000000 ] - [ -0.0000863800000000, 0.0000640600000000, 0.0000417700000000 ] - [ 0.0003943200000000, -0.0001853800000000, -0.0006739600000000 ] - [ -0.0009507200000000, -0.0009507200000000, -0.0008276000000000 ] - [ -0.0001769300000000, -0.0001769300000000, -0.0002305200000000 ] - [ -0.0001853800000000, 0.0003943200000000, -0.0006739600000000 ] - [ -0.0001911300000000, 0.0002181600000000, -0.0008236400000000 ] - [ -0.0002018100000000, -0.0002272500000000, -0.0008230200000000 ] - [ 0.0000080500000000, -0.0000036000000000, -0.0001306600000000 ] - [ 0.0000661600000000, -0.0000330700000000, -0.0001308500000000 ] - [ 0.0000962100000000, 0.0000403500000000, 0.0002525600000000 ] - [ -0.0000532100000000, -0.0000532100000000, 0.0002101000000000 ] - [ 0.0001146900000000, 0.0001146900000000, 0.0002111500000000 ] - [ 0.0000403500000000, 0.0000962100000000, 0.0002525600000000 ] - [ 0.0004947000000000, 0.0004947000000000, 0.0023220200000000 ] - [ -0.0000913700000000, 0.0000427900000000, 0.0000189900000000 ] - [ 0.0000427900000000, -0.0000913700000000, 0.0000189900000000 ] - [ -0.0000150600000000, -0.0000150600000000, 0.0000161400000000 ] - [ -0.0001204500000000, 0.0001110100000000, 0.0000765000000000 ] - [ 0.0004005800000000, 0.0004005800000000, 0.0002256300000000 ] - [ -0.0000854300000000, -0.0000854300000000, 0.0000247600000000 ] - [ 0.0001110100000000, -0.0001204500000000, 0.0000765000000000 ] - [ -0.0023957100000000, 0.0002797100000000, 0.0009763800000000 ] - [ 0.0009146200000000, -0.0010994800000000, 0.0009765800000000 ] - [ -0.0000698400000000, 0.0000449500000000, -0.0000392000000000 ] - [ 0.0000673300000000, -0.0000998100000000, -0.0000394000000000 ] - [ -0.0010994800000000, 0.0009146200000000, 0.0009765800000000 ] - [ -0.0000998100000000, 0.0000673300000000, -0.0000394000000000 ] - [ 0.0002797100000000, -0.0023957100000000, 0.0009763800000000 ] - [ 0.0000449500000000, -0.0000698400000000, -0.0000392000000000 ] - [ 0.0000601400000000, -0.0000855300000000, 0.0004105500000000 ] - [ -0.0000703100000000, 0.0000193300000000, 0.0002910900000000 ] - [ -0.0000120900000000, -0.0000201100000000, 0.0002179800000000 ] - [ -0.0000502800000000, 0.0001014900000000, 0.0001043400000000 ] - [ -0.0025186500000000, 0.0011687500000000, 0.0012529900000000 ] - [ 0.0009985200000000, 0.0005212600000000, -0.0000997800000000 ] - [ -0.0000400100000000, -0.0001250700000000, -0.0000907600000000 ] - [ 0.0000154200000000, -0.0000786900000000, -0.0000379000000000 ] - [ -0.0001250700000000, -0.0000400100000000, -0.0000907600000000 ] - [ 0.0011687500000000, -0.0025186500000000, 0.0012529900000000 ] - [ -0.0000786900000000, 0.0000154200000000, -0.0000379000000000 ] - [ 0.0005212600000000, 0.0009985200000000, -0.0000997800000000 ] - [ 0.0000036600000000, 0.0000036600000000, 0.0005061100000000 ] - [ -0.0001383200000000, 0.0000285300000000, 0.0002302300000000 ] - [ 0.0000285300000000, -0.0001383200000000, 0.0002302300000000 ] - [ -0.0000631500000000, -0.0000631500000000, 0.0000541500000000 ] - [ 0.0000193300000000, -0.0000703100000000, 0.0002910900000000 ] - [ 0.0001014900000000, -0.0000502800000000, 0.0001043400000000 ] - [ -0.0000855300000000, 0.0000601400000000, 0.0004105500000000 ] - [ -0.0000201100000000, -0.0000120900000000, 0.0002179800000000 ] - [ 0.0000034900000000, -0.0000648500000000, 0.0001839900000000 ] - [ 0.0007419800000000, -0.0017010600000000, -0.0002822400000000 ] - [ -0.0000678400000000, 0.0000721000000000, 0.0001221600000000 ] - [ -0.0000109400000000, 0.0002634700000000, 0.0001315300000000 ] - [ -0.0017010600000000, 0.0007419800000000, -0.0002822400000000 ] - [ 0.0002634700000000, -0.0000109400000000, 0.0001315300000000 ] - [ -0.0000648500000000, 0.0000034900000000, 0.0001839900000000 ] - [ 0.0000721000000000, -0.0000678400000000, 0.0001221600000000 ] - [ 0.0001482400000000, -0.0001789500000000, -0.0005991200000000 ] - [ -0.0000945800000000, -0.0001132100000000, -0.0002539800000000 ] - [ 0.0001230400000000, 0.0002931400000000, -0.0003036700000000 ] - [ -0.0000068800000000, 0.0000511000000000, -0.0001238100000000 ] - [ 0.0002931400000000, 0.0001230400000000, -0.0003036700000000 ] - [ -0.0001789500000000, 0.0001482400000000, -0.0005991200000000 ] - [ 0.0000511000000000, -0.0000068800000000, -0.0001238100000000 ] - [ -0.0001132100000000, -0.0000945800000000, -0.0002539800000000 ] - [ -0.0004986100000000, -0.0001687000000000, -0.0006953100000000 ] - [ 0.0004415900000000, -0.0002060600000000, -0.0006187700000000 ] - [ -0.0000576100000000, 0.0001630400000000, -0.0002098500000000 ] - [ 0.0001258600000000, -0.0000343800000000, -0.0000441800000000 ] - [ -0.0003517100000000, -0.0000266400000000, -0.0003702100000000 ] - [ 0.0001831600000000, 0.0001831600000000, -0.0003827800000000 ] - [ -0.0000965900000000, -0.0000965900000000, -0.0001047100000000 ] - [ -0.0000266400000000, -0.0003517100000000, -0.0003702100000000 ] - [ -0.0002060600000000, 0.0004415900000000, -0.0006187700000000 ] - [ -0.0000343800000000, 0.0001258600000000, -0.0000441800000000 ] - [ -0.0001687000000000, -0.0004986100000000, -0.0006953100000000 ] - [ 0.0001630400000000, -0.0000576100000000, -0.0002098500000000 ] - [ 0.0003084000000000, 0.0003084000000000, -0.0010876700000000 ] - [ -0.0000772400000000, 0.0000236600000000, -0.0002371400000000 ] - [ 0.0000236600000000, -0.0000772400000000, -0.0002371400000000 ] - [ 0.0001052700000000, 0.0001052700000000, -0.0000115700000000 ] - [ 0.0000638800000000, 0.0019558200000000, 0.0038551900000000 ] - [ -0.0002295700000000, -0.0003794600000000, 0.0001436100000000 ] - [ -0.0002349600000000, 0.0006093900000000, 0.0009668700000000 ] - [ 0.0001373800000000, 0.0000507400000000, 0.0001036000000000 ] - [ -0.0077056300000000, -0.0077056300000000, 0.0131041300000000 ] - [ -0.0001198800000000, 0.0000264900000000, 0.0003352500000000 ] - [ 0.0000264900000000, -0.0001198800000000, 0.0003352500000000 ] - [ 0.0000076600000000, 0.0000076600000000, 0.0000052100000000 ] - [ 0.0006093900000000, -0.0002349600000000, 0.0009668700000000 ] - [ 0.0019558200000000, 0.0000638800000000, 0.0038551900000000 ] - [ 0.0000507400000000, 0.0001373800000000, 0.0001036000000000 ] - [ -0.0003794600000000, -0.0002295700000000, 0.0001436100000000 ] - [ 0.0004637900000000, -0.0002280200000000, 0.0005517600000000 ] - [ 0.0000854800000000, 0.0000854800000000, 0.0009517900000000 ] - [ 0.0009036700000000, 0.0009036700000000, 0.0006727000000000 ] - [ -0.0002280200000000, 0.0004637900000000, 0.0005517600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0067033700000000, -0.0067033700000000, 0.0315753600000000 ] - [ 0.0001436900000000, -0.0000123800000000, 0.0001949700000000 ] - [ -0.0000123800000000, 0.0001436900000000, 0.0001949700000000 ] - [ 0.0000911900000000, 0.0000911900000000, 0.0000871100000000 ] - [ -0.0002476700000000, 0.0005637300000000, -0.0005121100000000 ] - [ 0.0000592900000000, 0.0000592900000000, -0.0000204100000000 ] - [ -0.0000558400000000, -0.0000558400000000, -0.0000220400000000 ] - [ 0.0005637300000000, -0.0002476700000000, -0.0005121100000000 ] - [ -0.0012009800000000, -0.0012009800000000, -0.0032277900000000 ] - [ 0.0000425500000000, -0.0000348400000000, 0.0000085600000000 ] - [ -0.0000348400000000, 0.0000425500000000, 0.0000085600000000 ] - [ -0.0000032100000000, -0.0000032100000000, 0.0000030000000000 ] - [ -0.0002029100000000, 0.0004856200000000, -0.0008532200000000 ] - [ 0.0000088300000000, -0.0000026500000000, -0.0000082400000000 ] - [ -0.0002766800000000, -0.0004537800000000, -0.0004357900000000 ] - [ 0.0000517900000000, -0.0000425300000000, 0.0000443000000000 ] - [ -0.0004537800000000, -0.0002766800000000, -0.0004357900000000 ] - [ 0.0004856200000000, -0.0002029100000000, -0.0008532200000000 ] - [ -0.0000425300000000, 0.0000517900000000, 0.0000443000000000 ] - [ -0.0000026500000000, 0.0000088300000000, -0.0000082400000000 ] - [ 0.0001693100000000, 0.0002552500000000, 0.0008332200000000 ] - [ -0.0000268000000000, -0.0000065400000000, 0.0001431900000000 ] - [ -0.0002753800000000, 0.0002493600000000, 0.0008325800000000 ] - [ -0.0000557200000000, 0.0000511200000000, 0.0001427300000000 ] - [ -0.0001313800000000, -0.0001228300000000, -0.0000654300000000 ] - [ 0.0000687200000000, -0.0000747400000000, -0.0004084300000000 ] - [ -0.0000645800000000, 0.0000861700000000, -0.0000421900000000 ] - [ 0.0000926200000000, 0.0001105200000000, -0.0000929800000000 ] - [ -0.0000747400000000, 0.0000687200000000, -0.0004084300000000 ] - [ 0.0001105200000000, 0.0000926200000000, -0.0000929800000000 ] - [ -0.0001228300000000, -0.0001313800000000, -0.0000654300000000 ] - [ 0.0000861700000000, -0.0000645800000000, -0.0000421900000000 ] - [ -0.0004532700000000, 0.0001294900000000, 0.0006899500000000 ] - [ 0.0008747900000000, 0.0008747900000000, 0.0008407000000000 ] - [ 0.0001188800000000, 0.0001188800000000, 0.0002434200000000 ] - [ 0.0001294900000000, -0.0004532700000000, 0.0006899500000000 ] - [ 0.0002493600000000, -0.0002753800000000, 0.0008325800000000 ] - [ 0.0002552500000000, 0.0001693100000000, 0.0008332200000000 ] - [ 0.0000511200000000, -0.0000557200000000, 0.0001427300000000 ] - [ -0.0000065400000000, -0.0000268000000000, 0.0001431900000000 ] - [ -0.0000384100000000, 0.0000185600000000, -0.0002426800000000 ] - [ 0.0001113700000000, 0.0001113700000000, -0.0002003000000000 ] - [ -0.0000558900000000, -0.0000558900000000, -0.0001992200000000 ] - [ 0.0000185600000000, -0.0000384100000000, -0.0002426800000000 ] - [ -0.0004436000000000, -0.0004436000000000, -0.0022576500000000 ] - [ 0.0001486600000000, 0.0000151300000000, -0.0000312900000000 ] - [ 0.0000151300000000, 0.0001486600000000, -0.0000312900000000 ] - [ 0.0000744000000000, 0.0000744000000000, -0.0000269400000000 ] - [ 0.0000622400000000, -0.0001691200000000, -0.0000873100000000 ] - [ -0.0004658800000000, -0.0004658800000000, -0.0002393900000000 ] - [ 0.0000269600000000, 0.0000269600000000, -0.0000362600000000 ] - [ -0.0001691200000000, 0.0000622400000000, -0.0000873100000000 ] - [ 0.0024569300000000, -0.0003388700000000, -0.0009865100000000 ] - [ -0.0008570800000000, 0.0010399900000000, -0.0009863400000000 ] - [ 0.0001286500000000, -0.0001026200000000, 0.0000277800000000 ] - [ -0.0000088600000000, 0.0000399500000000, 0.0000272800000000 ] - [ 0.0010399900000000, -0.0008570800000000, -0.0009863400000000 ] - [ 0.0000399500000000, -0.0000088600000000, 0.0000272800000000 ] - [ -0.0003388700000000, 0.0024569300000000, -0.0009865100000000 ] - [ -0.0001026200000000, 0.0001286500000000, 0.0000277800000000 ] - [ -0.0001201100000000, 0.0001460800000000, -0.0004020700000000 ] - [ 0.0000134100000000, 0.0000399600000000, -0.0002800400000000 ] - [ -0.0000470400000000, 0.0000793100000000, -0.0002080500000000 ] - [ -0.0000081000000000, -0.0000432800000000, -0.0000930200000000 ] - [ 0.0024957500000000, -0.0011591900000000, -0.0012475700000000 ] - [ -0.0009970900000000, -0.0005196500000000, 0.0001003600000000 ] - [ 0.0000408500000000, 0.0001255700000000, 0.0000914400000000 ] - [ -0.0000159500000000, 0.0000793400000000, 0.0000383900000000 ] - [ 0.0001255700000000, 0.0000408500000000, 0.0000914400000000 ] - [ -0.0011591900000000, 0.0024957500000000, -0.0012475700000000 ] - [ 0.0000793400000000, -0.0000159500000000, 0.0000383900000000 ] - [ -0.0005196500000000, -0.0009970900000000, 0.0001003600000000 ] - [ -0.0000637700000000, -0.0000637700000000, -0.0004960000000000 ] - [ 0.0000807900000000, -0.0000864500000000, -0.0002185500000000 ] - [ -0.0000864500000000, 0.0000807900000000, -0.0002185500000000 ] - [ 0.0000048600000000, 0.0000048600000000, -0.0000434500000000 ] - [ 0.0000399600000000, 0.0000134100000000, -0.0002800400000000 ] - [ -0.0000432800000000, -0.0000081000000000, -0.0000930200000000 ] - [ 0.0001460800000000, -0.0001201100000000, -0.0004020700000000 ] - [ 0.0000793100000000, -0.0000470400000000, -0.0002080500000000 ] - [ -0.0000033900000000, 0.0000649400000000, -0.0001858800000000 ] - [ -0.0007397100000000, 0.0016977800000000, 0.0002716100000000 ] - [ 0.0000687400000000, -0.0000731400000000, -0.0001215700000000 ] - [ 0.0000105100000000, -0.0002630500000000, -0.0001337600000000 ] - [ 0.0016977800000000, -0.0007397100000000, 0.0002716100000000 ] - [ -0.0002630500000000, 0.0000105100000000, -0.0001337600000000 ] - [ 0.0000649400000000, -0.0000033900000000, -0.0001858800000000 ] - [ -0.0000731400000000, 0.0000687400000000, -0.0001215700000000 ] - [ -0.0001460200000000, 0.0001775800000000, 0.0006030200000000 ] - [ 0.0000957200000000, 0.0001120500000000, 0.0002558800000000 ] - [ -0.0001229700000000, -0.0002926400000000, 0.0003059900000000 ] - [ 0.0000074900000000, -0.0000505200000000, 0.0001256800000000 ] - [ -0.0002926400000000, -0.0001229700000000, 0.0003059900000000 ] - [ 0.0001775800000000, -0.0001460200000000, 0.0006030200000000 ] - [ -0.0000505200000000, 0.0000074900000000, 0.0001256800000000 ] - [ 0.0001120500000000, 0.0000957200000000, 0.0002558800000000 ] - [ 0.0006283900000000, 0.0000456400000000, 0.0007001100000000 ] - [ -0.0003245500000000, 0.0000901200000000, 0.0006228100000000 ] - [ 0.0001814100000000, -0.0002859400000000, 0.0002102600000000 ] - [ -0.0000058300000000, -0.0000873600000000, 0.0000445700000000 ] - [ 0.0002358800000000, -0.0000920900000000, 0.0003701200000000 ] - [ -0.0003056500000000, -0.0003056500000000, 0.0003841200000000 ] - [ -0.0000225200000000, -0.0000225200000000, 0.0001051900000000 ] - [ -0.0000920900000000, 0.0002358800000000, 0.0003701200000000 ] - [ 0.0000901200000000, -0.0003245500000000, 0.0006228100000000 ] - [ -0.0000873600000000, -0.0000058300000000, 0.0000445700000000 ] - [ 0.0000456400000000, 0.0006283900000000, 0.0007001100000000 ] - [ -0.0002859400000000, 0.0001814100000000, 0.0002102600000000 ] - [ -0.0001903800000000, -0.0001903800000000, 0.0010908200000000 ] - [ 0.0001928300000000, 0.0000918100000000, 0.0002360900000000 ] - [ 0.0000918100000000, 0.0001928300000000, 0.0002360900000000 ] - [ 0.0000153600000000, 0.0000153600000000, 0.0000110900000000 ] - [ 0.0000503400000000, -0.0019462100000000, -0.0037785100000000 ] - [ 0.0003473400000000, 0.0002640100000000, -0.0001432600000000 ] - [ 0.0003487200000000, -0.0007274700000000, -0.0009674200000000 ] - [ -0.0000168900000000, -0.0001711800000000, -0.0001015100000000 ] - [ 0.0072651100000000, 0.0072651100000000, -0.0127425900000000 ] - [ 0.0000059200000000, -0.0001407300000000, -0.0003330200000000 ] - [ -0.0001407300000000, 0.0000059200000000, -0.0003330200000000 ] - [ -0.0001273100000000, -0.0001273100000000, -0.0000062300000000 ] - [ -0.0007274700000000, 0.0003487200000000, -0.0009674200000000 ] - [ -0.0019462100000000, 0.0000503400000000, -0.0037785100000000 ] - [ -0.0001711800000000, -0.0000168900000000, -0.0001015100000000 ] - [ 0.0002640100000000, 0.0003473400000000, -0.0001432600000000 ] - [ -0.0003540500000000, 0.0003449400000000, -0.0005545600000000 ] - [ 0.0000399700000000, 0.0000399700000000, -0.0009518500000000 ] - [ -0.0007856300000000, -0.0007856300000000, -0.0006698300000000 ] - [ 0.0003449400000000, -0.0003540500000000, -0.0005545600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002371200000000, -0.0000176900000000, 0.0001314200000000 ] - [ -0.0001003500000000, 0.0000276500000000, -0.0000701400000000 ] - [ 0.0001908800000000, -0.0000012300000000, 0.0000639800000000 ] - [ -0.0000868000000000, 0.0000695900000000, -0.0000930200000000 ] - [ -0.0001405400000000, 0.0000746500000000, 0.0000409700000000 ] - [ 0.0002241800000000, 0.0000971400000000, -0.0000139900000000 ] - [ 0.0041258100000000, -0.0023582700000000, 0.0025374900000000 ] - [ 0.0022935000000000, 0.0001565100000000, -0.0009893200000000 ] - [ 0.0022601000000000, 0.0000970700000000, 0.0010059500000000 ] - [ 0.0040045100000000, -0.0023750800000000, -0.0024772900000000 ] - [ 0.0001648500000000, 0.0000397700000000, 0.0000166100000000 ] - [ -0.0001956300000000, 0.0000168300000000, -0.0000390800000000 ] - [ 0.0004479000000000, 0.0000955500000000, 0.0000801300000000 ] - [ -0.0002171600000000, -0.0010233600000000, -0.0005200500000000 ] - [ 0.0006955900000000, -0.0002427500000000, 0.0001277000000000 ] - [ 0.0001521500000000, 0.0022827400000000, -0.0011682200000000 ] - [ 0.0000717000000000, 0.0023177300000000, 0.0011596000000000 ] - [ 0.0006379600000000, -0.0001828000000000, -0.0001242000000000 ] - [ -0.0002749900000000, -0.0009602400000000, 0.0005206700000000 ] - [ 0.0003886300000000, 0.0001536700000000, -0.0000773400000000 ] - [ 0.0000715700000000, 0.0000936900000000, 0.0000862800000000 ] - [ -0.0001428700000000, -0.0000211800000000, -0.0001225000000000 ] - [ 0.0001176000000000, 0.0000141500000000, 0.0001105800000000 ] - [ -0.0001545100000000, 0.0000039900000000, -0.0000761800000000 ] - [ -0.0366190500000000, -0.0000015700000000, 0.0000000000000000 ] - [ 0.0009000800000000, -0.0002037600000000, 0.0000000000000000 ] - [ -0.0005251900000000, 0.0002042900000000, 0.0000000000000000 ] - [ 0.0006578600000000, -0.0000003400000000, 0.0000000000000000 ] - [ 0.0013775700000000, 0.0033599900000000, 0.0000000000000000 ] - [ 0.0013712900000000, -0.0007600000000000, 0.0000000000000000 ] - [ 0.0013656200000000, -0.0007603200000000, 0.0000000000000000 ] - [ 0.0013596000000000, 0.0033071300000000, 0.0000000000000000 ] - [ -0.0001471300000000, 0.0000097100000000, 0.0000915500000000 ] - [ 0.0001327800000000, -0.0000606800000000, -0.0000642700000000 ] - [ -0.0001613400000000, -0.0000271500000000, 0.0000667100000000 ] - [ 0.0001796700000000, -0.0000770900000000, -0.0001305100000000 ] - [ -0.0000994000000000, -0.0000566400000000, 0.0000732400000000 ] - [ 0.0001777600000000, -0.0000442600000000, -0.0001092900000000 ] - [ -0.0000854200000000, -0.0000795000000000, 0.0001214500000000 ] - [ 0.0001312100000000, 0.0000353400000000, -0.0000864100000000 ] - [ -0.0001405400000000, 0.0000746500000000, -0.0000409700000000 ] - [ 0.0002241800000000, 0.0000971400000000, 0.0000139900000000 ] - [ 0.0041258100000000, -0.0023582700000000, -0.0025374900000000 ] - [ 0.0022935000000000, 0.0001565100000000, 0.0009893200000000 ] - [ 0.0002371200000000, -0.0000176900000000, -0.0001314200000000 ] - [ -0.0001003500000000, 0.0000276500000000, 0.0000701400000000 ] - [ 0.0001908800000000, -0.0000012300000000, -0.0000639800000000 ] - [ -0.0000868000000000, 0.0000695900000000, 0.0000930200000000 ] - [ -0.0001471300000000, 0.0000097100000000, -0.0000915500000000 ] - [ 0.0001327800000000, -0.0000606800000000, 0.0000642700000000 ] - [ -0.0001613400000000, -0.0000271500000000, -0.0000667100000000 ] - [ 0.0001796700000000, -0.0000770900000000, 0.0001305100000000 ] - [ -0.0000994000000000, -0.0000566400000000, -0.0000732400000000 ] - [ 0.0001777600000000, -0.0000442600000000, 0.0001092900000000 ] - [ -0.0000854200000000, -0.0000795000000000, -0.0001214500000000 ] - [ 0.0001312100000000, 0.0000353400000000, 0.0000864100000000 ] - [ 0.0000715700000000, 0.0000936900000000, -0.0000862800000000 ] - [ -0.0001428700000000, -0.0000211800000000, 0.0001225000000000 ] - [ 0.0001176000000000, 0.0000141500000000, -0.0001105800000000 ] - [ -0.0001545100000000, 0.0000039900000000, 0.0000761800000000 ] - [ 0.0000717000000000, 0.0023177300000000, -0.0011596000000000 ] - [ 0.0006379600000000, -0.0001828000000000, 0.0001242000000000 ] - [ -0.0002749900000000, -0.0009602400000000, -0.0005206700000000 ] - [ 0.0003886300000000, 0.0001536700000000, 0.0000773400000000 ] - [ 0.0000006500000000, 0.0000061100000000, 0.0000000000000000 ] - [ 0.0000359100000000, -0.0000077500000000, 0.0000000000000000 ] - [ 0.0000343600000000, -0.0000067500000000, 0.0000000000000000 ] - [ 0.0000026900000000, 0.0000079200000000, 0.0000000000000000 ] - [ -0.0001953400000000, 0.0000086900000000, 0.0000000000000000 ] - [ 0.0001999700000000, -0.0000261800000000, 0.0000000000000000 ] - [ -0.0001782200000000, -0.0000265200000000, 0.0000000000000000 ] - [ 0.0001640600000000, 0.0000154400000000, 0.0000000000000000 ] - [ 0.0022601000000000, 0.0000970700000000, -0.0010059500000000 ] - [ 0.0040045100000000, -0.0023750800000000, 0.0024772900000000 ] - [ 0.0001648500000000, 0.0000397700000000, -0.0000166100000000 ] - [ -0.0001956300000000, 0.0000168300000000, 0.0000390800000000 ] - [ 0.0004479000000000, 0.0000955500000000, -0.0000801300000000 ] - [ -0.0002171600000000, -0.0010233600000000, 0.0005200500000000 ] - [ 0.0006955900000000, -0.0002427500000000, -0.0001277000000000 ] - [ 0.0001521500000000, 0.0022827400000000, 0.0011682200000000 ] - [ 0.0007895700000000, 0.0000596500000000, 0.0000130000000000 ] - [ -0.0008330600000000, 0.0002651100000000, -0.0000030400000000 ] - [ 0.0003699800000000, 0.0001758400000000, 0.0000002100000000 ] - [ -0.0002510500000000, -0.0000559000000000, -0.0000010900000000 ] - [ -0.0001175000000000, -0.0002428800000000, -0.0004477300000000 ] - [ -0.0002033600000000, 0.0003980500000000, 0.0003733600000000 ] - [ -0.0002003400000000, 0.0004005800000000, -0.0003751400000000 ] - [ -0.0001265200000000, -0.0002422500000000, 0.0004443500000000 ] - [ -0.0001175000000000, -0.0002428800000000, 0.0004477300000000 ] - [ -0.0002033600000000, 0.0003980500000000, -0.0003733600000000 ] - [ -0.0002003400000000, 0.0004005800000000, 0.0003751400000000 ] - [ -0.0001265200000000, -0.0002422500000000, -0.0004443500000000 ] - [ 0.0007895700000000, 0.0000596500000000, -0.0000130000000000 ] - [ -0.0008330600000000, 0.0002651100000000, 0.0000030400000000 ] - [ 0.0003699800000000, 0.0001758400000000, -0.0000002100000000 ] - [ -0.0002510500000000, -0.0000559000000000, 0.0000010900000000 ] - [ 0.0033555200000000, -0.0007510700000000, 0.0000000000000000 ] - [ -0.0017576900000000, 0.0008076700000000, 0.0000000000000000 ] - [ 0.0002273900000000, 0.0004477000000000, 0.0000000000000000 ] - [ -0.0008173800000000, -0.0010662900000000, 0.0000000000000000 ] - [ 0.0013800300000000, -0.0006710800000000, 0.0000000000000000 ] - [ -0.0011199000000000, 0.0001367700000000, 0.0000000000000000 ] - [ 0.0016348600000000, -0.0002285600000000, 0.0000000000000000 ] - [ -0.0019348000000000, -0.0005308700000000, 0.0000000000000000 ] - [ -0.0009439900000000, -0.0009617500000000, 0.0000000000000000 ] - [ 0.0000996500000000, 0.0005712300000000, 0.0000000000000000 ] - [ -0.0018729700000000, 0.0009407300000000, 0.0000000000000000 ] - [ 0.0028141200000000, -0.0008103500000000, 0.0000000000000000 ] - [ -0.0018265200000000, -0.0004170000000000, 0.0000000000000000 ] - [ 0.0016897400000000, 0.0000149500000000, 0.0000000000000000 ] - [ -0.0009958000000000, 0.0002598500000000, 0.0000000000000000 ] - [ 0.0014882100000000, -0.0005629900000000, 0.0000000000000000 ] - [ -0.0002241200000000, -0.0000851300000000, 0.0000000000000000 ] - [ 0.0003683300000000, -0.0000764800000000, 0.0000000000000000 ] - [ -0.0003279100000000, 0.0000385600000000, 0.0000000000000000 ] - [ 0.0004015600000000, -0.0001006100000000, 0.0000000000000000 ] - [ -0.0001456600000000, -0.0000410800000000, 0.0000000000000000 ] - [ 0.0000603000000000, -0.0000440200000000, 0.0000000000000000 ] - [ -0.0001675700000000, -0.0000512300000000, 0.0000000000000000 ] - [ 0.0000186500000000, -0.0000822300000000, 0.0000000000000000 ] - [ 0.0002834500000000, 0.0000222800000000, 0.0000000000000000 ] - [ -0.0004478700000000, 0.0001540900000000, 0.0000000000000000 ] - [ 0.0002489000000000, 0.0000393600000000, 0.0000000000000000 ] - [ -0.0003440100000000, 0.0000321200000000, 0.0000000000000000 ] - [ 0.0001421200000000, 0.0000403500000000, 0.0000000000000000 ] - [ -0.0000476500000000, 0.0000725300000000, 0.0000000000000000 ] - [ 0.0001876100000000, 0.0000747200000000, 0.0000000000000000 ] - [ -0.0000324800000000, 0.0000792000000000, 0.0000000000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000626000000000, -0.0000308500000000, 0.0000594300000000 ] - [ -0.0001618400000000, 0.0003811800000000, 0.0004058300000000 ] - [ 0.0000649400000000, 0.0000236300000000, 0.0000368800000000 ] - [ 0.0000327900000000, 0.0000192600000000, 0.0000875300000000 ] - [ -0.0000176500000000, 0.0000289300000000, -0.0000873400000000 ] - [ 0.0000020800000000, 0.0000418700000000, -0.0000338500000000 ] - [ 0.0030794700000000, -0.0015808100000000, 0.0012588000000000 ] - [ 0.0000487600000000, 0.0000263300000000, -0.0000966100000000 ] - [ -0.0000487600000000, -0.0000263300000000, -0.0000966100000000 ] - [ -0.0030794700000000, 0.0015808100000000, 0.0012588000000000 ] - [ -0.0000020800000000, -0.0000418700000000, -0.0000338500000000 ] - [ 0.0000176500000000, -0.0000289300000000, -0.0000873400000000 ] - [ 0.0000418700000000, -0.0000020800000000, -0.0000338500000000 ] - [ 0.0000263300000000, -0.0000487600000000, -0.0000966100000000 ] - [ 0.0000289300000000, 0.0000176500000000, -0.0000873400000000 ] - [ -0.0015808100000000, -0.0030794700000000, 0.0012588000000000 ] - [ 0.0015808100000000, 0.0030794700000000, 0.0012588000000000 ] - [ -0.0000289300000000, -0.0000176500000000, -0.0000873400000000 ] - [ -0.0000263300000000, 0.0000487600000000, -0.0000966100000000 ] - [ -0.0000418700000000, 0.0000020800000000, -0.0000338500000000 ] - [ -0.0000236300000000, 0.0000649400000000, 0.0000368800000000 ] - [ 0.0000308500000000, 0.0000626000000000, 0.0000594300000000 ] - [ -0.0000192600000000, 0.0000327900000000, 0.0000875300000000 ] - [ -0.0003811800000000, -0.0001618400000000, 0.0004058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0157501100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000130900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000130900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000713100000000 ] - [ -0.0000024500000000, -0.0000031200000000, -0.0000497700000000 ] - [ 0.0000031200000000, -0.0000024500000000, -0.0000497700000000 ] - [ -0.0000031200000000, 0.0000024500000000, -0.0000497700000000 ] - [ 0.0000024500000000, 0.0000031200000000, -0.0000497700000000 ] - [ -0.0000327900000000, -0.0000192600000000, 0.0000875300000000 ] - [ -0.0000649400000000, -0.0000236300000000, 0.0000368800000000 ] - [ 0.0001618400000000, -0.0003811800000000, 0.0004058300000000 ] - [ -0.0000626000000000, 0.0000308500000000, 0.0000594300000000 ] - [ 0.0003811800000000, 0.0001618400000000, 0.0004058300000000 ] - [ 0.0000192600000000, -0.0000327900000000, 0.0000875300000000 ] - [ -0.0000308500000000, -0.0000626000000000, 0.0000594300000000 ] - [ 0.0000236300000000, -0.0000649400000000, 0.0000368800000000 ] - [ 0.0000736000000000, 0.0000264900000000, -0.0000951000000000 ] - [ 0.0000545500000000, 0.0000141700000000, -0.0000425700000000 ] - [ -0.0029986000000000, 0.0016260800000000, 0.0012412800000000 ] - [ 0.0000097300000000, 0.0000285800000000, -0.0001039200000000 ] - [ -0.0000060400000000, 0.0000879000000000, 0.0000712400000000 ] - [ 0.0002139800000000, -0.0003165000000000, 0.0004106000000000 ] - [ -0.0000091100000000, 0.0000319800000000, 0.0000469200000000 ] - [ 0.0000226500000000, 0.0000353800000000, 0.0000978100000000 ] - [ -0.0000226500000000, -0.0000353800000000, 0.0000978100000000 ] - [ 0.0000091100000000, -0.0000319800000000, 0.0000469200000000 ] - [ -0.0002139800000000, 0.0003165000000000, 0.0004106000000000 ] - [ 0.0000060400000000, -0.0000879000000000, 0.0000712400000000 ] - [ -0.0003165000000000, -0.0002139800000000, 0.0004106000000000 ] - [ 0.0000353800000000, -0.0000226500000000, 0.0000978100000000 ] - [ 0.0000879000000000, 0.0000060400000000, 0.0000712400000000 ] - [ 0.0000319800000000, 0.0000091100000000, 0.0000469200000000 ] - [ -0.0000319800000000, -0.0000091100000000, 0.0000469200000000 ] - [ -0.0000879000000000, -0.0000060400000000, 0.0000712400000000 ] - [ -0.0000353800000000, 0.0000226500000000, 0.0000978100000000 ] - [ 0.0003165000000000, 0.0002139800000000, 0.0004106000000000 ] - [ -0.0016260800000000, -0.0029986000000000, 0.0012412800000000 ] - [ -0.0000264900000000, 0.0000736000000000, -0.0000951000000000 ] - [ -0.0000285800000000, 0.0000097300000000, -0.0001039200000000 ] - [ -0.0000141700000000, 0.0000545500000000, -0.0000425700000000 ] - [ 0.0000011100000000, 0.0000015000000000, 0.0000993500000000 ] - [ -0.0000015000000000, 0.0000011100000000, 0.0000993500000000 ] - [ 0.0000015000000000, -0.0000011100000000, 0.0000993500000000 ] - [ -0.0000011100000000, -0.0000015000000000, 0.0000993500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010863600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000299700000000 ] - [ -0.0000097300000000, -0.0000285800000000, -0.0001039200000000 ] - [ 0.0029986000000000, -0.0016260800000000, 0.0012412800000000 ] - [ -0.0000545500000000, -0.0000141700000000, -0.0000425700000000 ] - [ -0.0000736000000000, -0.0000264900000000, -0.0000951000000000 ] - [ 0.0000141700000000, -0.0000545500000000, -0.0000425700000000 ] - [ 0.0000285800000000, -0.0000097300000000, -0.0001039200000000 ] - [ 0.0000264900000000, -0.0000736000000000, -0.0000951000000000 ] - [ 0.0016260800000000, 0.0029986000000000, 0.0012412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000071700000000 ] - [ -0.0002526100000000, -0.0001270600000000, -0.0000628800000000 ] - [ 0.0001270600000000, -0.0002526100000000, -0.0000628800000000 ] - [ -0.0001270600000000, 0.0002526100000000, -0.0000628800000000 ] - [ 0.0002526100000000, 0.0001270600000000, -0.0000628800000000 ] - [ 0.0002525800000000, 0.0001264300000000, -0.0000661700000000 ] - [ -0.0001264300000000, 0.0002525800000000, -0.0000661700000000 ] - [ 0.0001264300000000, -0.0002525800000000, -0.0000661700000000 ] - [ -0.0002525800000000, -0.0001264300000000, -0.0000661700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001319200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000090600000000 ] - [ 0.0000516900000000, -0.0000640200000000, 0.0006490300000000 ] - [ 0.0000564300000000, -0.0000587800000000, 0.0005599300000000 ] - [ 0.0000601700000000, -0.0000609100000000, 0.0000895000000000 ] - [ 0.0000591300000000, -0.0000608100000000, 0.0000395700000000 ] - [ -0.0000587800000000, -0.0000564300000000, 0.0005599300000000 ] - [ -0.0000608100000000, -0.0000591300000000, 0.0000395700000000 ] - [ -0.0000640200000000, -0.0000516900000000, 0.0006490300000000 ] - [ -0.0000609100000000, -0.0000601700000000, 0.0000895000000000 ] - [ -0.0000591300000000, 0.0000608100000000, 0.0000395700000000 ] - [ -0.0000601700000000, 0.0000609100000000, 0.0000895000000000 ] - [ -0.0000564300000000, 0.0000587800000000, 0.0005599300000000 ] - [ -0.0000516900000000, 0.0000640200000000, 0.0006490300000000 ] - [ 0.0000609100000000, 0.0000601700000000, 0.0000895000000000 ] - [ 0.0000640200000000, 0.0000516900000000, 0.0006490300000000 ] - [ 0.0000608100000000, 0.0000591300000000, 0.0000395700000000 ] - [ 0.0000587800000000, 0.0000564300000000, 0.0005599300000000 ] - [ 0.0000591200000000, -0.0000602200000000, -0.0000455900000000 ] - [ 0.0000605500000000, -0.0000625400000000, -0.0003075600000000 ] - [ 0.0000590000000000, -0.0000589000000000, -0.0000995900000000 ] - [ 0.0000616400000000, -0.0000549400000000, -0.0005260100000000 ] - [ -0.0000625400000000, -0.0000605500000000, -0.0003075600000000 ] - [ -0.0000549400000000, -0.0000616400000000, -0.0005260100000000 ] - [ -0.0000602200000000, -0.0000591200000000, -0.0000455900000000 ] - [ -0.0000589000000000, -0.0000590000000000, -0.0000995900000000 ] - [ -0.0000616400000000, 0.0000549400000000, -0.0005260100000000 ] - [ -0.0000590000000000, 0.0000589000000000, -0.0000995900000000 ] - [ -0.0000605500000000, 0.0000625400000000, -0.0003075600000000 ] - [ -0.0000591200000000, 0.0000602200000000, -0.0000455900000000 ] - [ 0.0000589000000000, 0.0000590000000000, -0.0000995900000000 ] - [ 0.0000602200000000, 0.0000591200000000, -0.0000455900000000 ] - [ 0.0000549400000000, 0.0000616400000000, -0.0005260100000000 ] - [ 0.0000625400000000, 0.0000605500000000, -0.0003075600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002911800000000, -0.0000332800000000, -0.0000066400000000 ] - [ 0.0005387500000000, 0.0000432800000000, 0.0007396500000000 ] - [ -0.0002009900000000, 0.0000806200000000, -0.0000788200000000 ] - [ 0.0002374300000000, -0.0000636900000000, -0.0000211200000000 ] - [ 0.0001095200000000, -0.0001049400000000, 0.0000757800000000 ] - [ -0.0000680200000000, 0.0001118700000000, -0.0000626300000000 ] - [ 0.0012806200000000, 0.0005126500000000, 0.0016973200000000 ] - [ -0.0002700200000000, -0.0001099400000000, -0.0002522900000000 ] - [ -0.0003277900000000, -0.0001686300000000, 0.0002735200000000 ] - [ 0.0011466400000000, 0.0004785500000000, -0.0017012400000000 ] - [ -0.0001239400000000, 0.0000555200000000, 0.0000815800000000 ] - [ 0.0000513600000000, -0.0001624400000000, -0.0000542200000000 ] - [ -0.0002009900000000, -0.0000806200000000, 0.0000788200000000 ] - [ 0.0002374300000000, 0.0000636900000000, 0.0000211200000000 ] - [ -0.0002911800000000, 0.0000332800000000, 0.0000066400000000 ] - [ 0.0005387500000000, -0.0000432800000000, -0.0007396500000000 ] - [ 0.0004934500000000, 0.0000347400000000, 0.0007416800000000 ] - [ -0.0003484600000000, 0.0000909500000000, 0.0000144400000000 ] - [ 0.0001810900000000, 0.0001211800000000, -0.0000007500000000 ] - [ -0.0002592800000000, -0.0000235200000000, -0.0000583700000000 ] - [ -0.0001239400000000, -0.0000555200000000, -0.0000815800000000 ] - [ 0.0000513600000000, 0.0001624400000000, 0.0000542200000000 ] - [ -0.0003277900000000, 0.0001686300000000, -0.0002735200000000 ] - [ 0.0011466400000000, -0.0004785500000000, 0.0017012400000000 ] - [ 0.0007900200000000, -0.0000595100000000, -0.0000052100000000 ] - [ -0.0008332900000000, -0.0001753500000000, 0.0000000600000000 ] - [ 0.0003711100000000, -0.0002652400000000, -0.0000006300000000 ] - [ -0.0002501000000000, 0.0000558900000000, -0.0000002700000000 ] - [ -0.0001997200000000, -0.0002428400000000, 0.0001262300000000 ] - [ -0.0001215200000000, 0.0003987800000000, -0.0002516900000000 ] - [ -0.0001211100000000, 0.0004006600000000, 0.0002530500000000 ] - [ -0.0002026500000000, -0.0002432700000000, -0.0001270600000000 ] - [ 0.0001810900000000, -0.0001211800000000, 0.0000007500000000 ] - [ -0.0002592800000000, 0.0000235200000000, 0.0000583700000000 ] - [ 0.0004934500000000, -0.0000347400000000, -0.0007416800000000 ] - [ -0.0003484600000000, -0.0000909500000000, -0.0000144400000000 ] - [ 0.0012806200000000, -0.0005126500000000, -0.0016973200000000 ] - [ -0.0002700200000000, 0.0001099400000000, 0.0002522900000000 ] - [ 0.0001095200000000, 0.0001049400000000, -0.0000757800000000 ] - [ -0.0000680200000000, -0.0001118700000000, 0.0000626300000000 ] - [ -0.0000736900000000, -0.0001060800000000, 0.0001119700000000 ] - [ -0.0000685200000000, 0.0000741800000000, -0.0000177600000000 ] - [ 0.0002169400000000, 0.0001534000000000, 0.0001383300000000 ] - [ -0.0002414900000000, -0.0001177700000000, -0.0001041400000000 ] - [ -0.0004542900000000, -0.0002958300000000, -0.0002822300000000 ] - [ 0.0007788400000000, 0.0002499800000000, 0.0001864000000000 ] - [ -0.0001541900000000, 0.0000663300000000, -0.0000399800000000 ] - [ 0.0002360600000000, -0.0002254000000000, 0.0001235000000000 ] - [ 0.0001792400000000, -0.0002839100000000, -0.0001036000000000 ] - [ -0.0002125600000000, 0.0000083400000000, 0.0000598000000000 ] - [ 0.0007209400000000, 0.0001936000000000, -0.0001689500000000 ] - [ -0.0005112000000000, -0.0003525800000000, 0.0003026000000000 ] - [ 0.0002169400000000, -0.0001534000000000, -0.0001383300000000 ] - [ -0.0002414900000000, 0.0001177700000000, 0.0001041400000000 ] - [ -0.0000736900000000, 0.0001060800000000, -0.0001119700000000 ] - [ -0.0000685200000000, -0.0000741800000000, 0.0000177600000000 ] - [ -0.0001250900000000, -0.0000182100000000, 0.0000017600000000 ] - [ -0.0001317100000000, 0.0001656100000000, 0.0001348600000000 ] - [ -0.0002982300000000, 0.0001758800000000, -0.0000854800000000 ] - [ 0.0001578100000000, -0.0000968500000000, 0.0001556100000000 ] - [ 0.0007209400000000, -0.0001936000000000, 0.0001689500000000 ] - [ -0.0005112000000000, 0.0003525800000000, -0.0003026000000000 ] - [ 0.0001792400000000, 0.0002839100000000, 0.0001036000000000 ] - [ -0.0002125600000000, -0.0000083400000000, -0.0000598000000000 ] - [ -0.0001211100000000, -0.0004006600000000, -0.0002530500000000 ] - [ -0.0002026500000000, 0.0002432700000000, 0.0001270600000000 ] - [ -0.0001997200000000, 0.0002428400000000, -0.0001262300000000 ] - [ -0.0001215200000000, -0.0003987800000000, 0.0002516900000000 ] - [ 0.0007900200000000, 0.0000595100000000, 0.0000052100000000 ] - [ -0.0008332900000000, 0.0001753500000000, -0.0000000600000000 ] - [ 0.0003711100000000, 0.0002652400000000, 0.0000006300000000 ] - [ -0.0002501000000000, -0.0000558900000000, 0.0000002700000000 ] - [ -0.0002982300000000, -0.0001758800000000, 0.0000854800000000 ] - [ 0.0001578100000000, 0.0000968500000000, -0.0001556100000000 ] - [ -0.0001250900000000, 0.0000182100000000, -0.0000017600000000 ] - [ -0.0001317100000000, -0.0001656100000000, -0.0001348600000000 ] - [ -0.0001541900000000, -0.0000663300000000, 0.0000399800000000 ] - [ 0.0002360600000000, 0.0002254000000000, -0.0001235000000000 ] - [ -0.0004542900000000, 0.0002958300000000, 0.0002822300000000 ] - [ 0.0007788400000000, -0.0002499800000000, -0.0001864000000000 ] - [ -0.0071041200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004942700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002564600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001859900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005383400000000, 0.0008495200000000, -0.0002187300000000 ] - [ 0.0005370400000000, -0.0008443900000000, -0.0002143900000000 ] - [ 0.0005383400000000, -0.0008495200000000, 0.0002187300000000 ] - [ 0.0005370400000000, 0.0008443900000000, 0.0002143900000000 ] - [ -0.0000057700000000, 0.0000655900000000, 0.0000442900000000 ] - [ -0.0000063100000000, -0.0000647900000000, 0.0000435000000000 ] - [ -0.0000057700000000, -0.0000655900000000, -0.0000442900000000 ] - [ -0.0000063100000000, 0.0000647900000000, -0.0000435000000000 ] - [ -0.0003377200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0003424300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002577200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001795700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002953000000000, 0.0006481800000000, -0.0021877200000000 ] - [ 0.0017887000000000, -0.0002003700000000, 0.0010786100000000 ] - [ -0.0001206500000000, -0.0002135200000000, 0.0000028500000000 ] - [ 0.0003134800000000, 0.0000417200000000, 0.0000458800000000 ] - [ -0.0004497000000000, 0.0006302600000000, -0.0005571700000000 ] - [ 0.0004112800000000, -0.0002239100000000, -0.0000267400000000 ] - [ -0.0025046700000000, -0.0014186100000000, -0.0017355700000000 ] - [ 0.0006160500000000, 0.0000984100000000, 0.0001712200000000 ] - [ 0.0001727000000000, 0.0001784700000000, -0.0000447300000000 ] - [ -0.0002605200000000, -0.0000715900000000, -0.0000014200000000 ] - [ 0.0016572400000000, -0.0000638800000000, -0.0010836700000000 ] - [ 0.0001632800000000, 0.0007782700000000, 0.0021798100000000 ] - [ 0.0007486600000000, 0.0002354900000000, -0.0001730400000000 ] - [ -0.0023472100000000, -0.0012810600000000, 0.0017227400000000 ] - [ 0.0005419800000000, -0.0000942500000000, 0.0000272700000000 ] - [ -0.0003131600000000, 0.0007726900000000, 0.0005605500000000 ] - [ 0.0005419800000000, 0.0000942500000000, -0.0000272700000000 ] - [ -0.0003131600000000, -0.0007726900000000, -0.0005605500000000 ] - [ 0.0007486600000000, -0.0002354900000000, 0.0001730400000000 ] - [ -0.0023472100000000, 0.0012810600000000, -0.0017227400000000 ] - [ 0.0016572400000000, 0.0000638800000000, 0.0010836700000000 ] - [ 0.0001632800000000, -0.0007782700000000, -0.0021798100000000 ] - [ 0.0001727000000000, -0.0001784700000000, 0.0000447300000000 ] - [ -0.0002605200000000, 0.0000715900000000, 0.0000014200000000 ] - [ -0.0025046700000000, 0.0014186100000000, 0.0017355700000000 ] - [ 0.0006160500000000, -0.0000984100000000, -0.0001712200000000 ] - [ -0.0004497000000000, -0.0006302600000000, 0.0005571700000000 ] - [ 0.0004112800000000, 0.0002239100000000, 0.0000267400000000 ] - [ -0.0001206500000000, 0.0002135200000000, -0.0000028500000000 ] - [ 0.0003134800000000, -0.0000417200000000, -0.0000458800000000 ] - [ 0.0002953000000000, -0.0006481800000000, 0.0021877200000000 ] - [ 0.0017887000000000, 0.0002003700000000, -0.0010786100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000064600000000, -0.0000477500000000, 0.0001789900000000 ] - [ 0.0004235700000000, 0.0000387200000000, -0.0002709900000000 ] - [ 0.0000578700000000, 0.0000752400000000, 0.0001157300000000 ] - [ 0.0001190100000000, 0.0003438400000000, 0.0001278800000000 ] - [ 0.0001045000000000, 0.0000630000000000, 0.0001916000000000 ] - [ -0.0000187700000000, -0.0000015300000000, 0.0001285000000000 ] - [ 0.0000409000000000, -0.0003786100000000, -0.0002819100000000 ] - [ -0.0002857600000000, -0.0000627100000000, 0.0001390700000000 ] - [ 0.0002857600000000, 0.0000627100000000, 0.0001390700000000 ] - [ -0.0000409000000000, 0.0003786100000000, -0.0002819100000000 ] - [ 0.0000187700000000, 0.0000015300000000, 0.0001285000000000 ] - [ -0.0001045000000000, -0.0000630000000000, 0.0001916000000000 ] - [ -0.0000015300000000, 0.0000187700000000, 0.0001285000000000 ] - [ -0.0000627100000000, 0.0002857600000000, 0.0001390700000000 ] - [ 0.0000630000000000, -0.0001045000000000, 0.0001916000000000 ] - [ -0.0003786100000000, -0.0000409000000000, -0.0002819100000000 ] - [ 0.0003786100000000, 0.0000409000000000, -0.0002819100000000 ] - [ -0.0000630000000000, 0.0001045000000000, 0.0001916000000000 ] - [ 0.0000627100000000, -0.0002857600000000, 0.0001390700000000 ] - [ 0.0000015300000000, -0.0000187700000000, 0.0001285000000000 ] - [ -0.0000752400000000, 0.0000578700000000, 0.0001157300000000 ] - [ 0.0000477500000000, -0.0000064600000000, 0.0001789900000000 ] - [ -0.0003438400000000, 0.0001190100000000, 0.0001278800000000 ] - [ -0.0000387200000000, 0.0004235700000000, -0.0002709900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001462200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000043400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000043400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000065500000000 ] - [ 0.0003744400000000, 0.0004449900000000, -0.0000643900000000 ] - [ -0.0004449900000000, 0.0003744400000000, -0.0000643900000000 ] - [ 0.0004449900000000, -0.0003744400000000, -0.0000643900000000 ] - [ -0.0003744400000000, -0.0004449900000000, -0.0000643900000000 ] - [ -0.0001190100000000, -0.0003438400000000, 0.0001278800000000 ] - [ -0.0000578700000000, -0.0000752400000000, 0.0001157300000000 ] - [ -0.0004235700000000, -0.0000387200000000, -0.0002709900000000 ] - [ 0.0000064600000000, 0.0000477500000000, 0.0001789900000000 ] - [ 0.0000387200000000, -0.0004235700000000, -0.0002709900000000 ] - [ 0.0003438400000000, -0.0001190100000000, 0.0001278800000000 ] - [ -0.0000477500000000, 0.0000064600000000, 0.0001789900000000 ] - [ 0.0000752400000000, -0.0000578700000000, 0.0001157300000000 ] - [ 0.0002055500000000, 0.0001712400000000, -0.0003109100000000 ] - [ -0.0000453100000000, 0.0000233200000000, -0.0001303500000000 ] - [ 0.0004409000000000, -0.0001255000000000, -0.0006074000000000 ] - [ -0.0003505100000000, -0.0000939000000000, -0.0002607600000000 ] - [ -0.0001142100000000, -0.0001473100000000, -0.0002972400000000 ] - [ 0.0001844000000000, -0.0003896500000000, -0.0005943100000000 ] - [ 0.0000328200000000, 0.0001014500000000, -0.0001180300000000 ] - [ 0.0001499000000000, 0.0004088100000000, -0.0002483500000000 ] - [ -0.0001499000000000, -0.0004088100000000, -0.0002483500000000 ] - [ -0.0000328200000000, -0.0001014500000000, -0.0001180300000000 ] - [ -0.0001844000000000, 0.0003896500000000, -0.0005943100000000 ] - [ 0.0001142100000000, 0.0001473100000000, -0.0002972400000000 ] - [ -0.0003896500000000, -0.0001844000000000, -0.0005943100000000 ] - [ 0.0004088100000000, -0.0001499000000000, -0.0002483500000000 ] - [ -0.0001473100000000, 0.0001142100000000, -0.0002972400000000 ] - [ 0.0001014500000000, -0.0000328200000000, -0.0001180300000000 ] - [ -0.0001014500000000, 0.0000328200000000, -0.0001180300000000 ] - [ 0.0001473100000000, -0.0001142100000000, -0.0002972400000000 ] - [ -0.0004088100000000, 0.0001499000000000, -0.0002483500000000 ] - [ 0.0003896500000000, 0.0001844000000000, -0.0005943100000000 ] - [ 0.0001255000000000, 0.0004409000000000, -0.0006074000000000 ] - [ -0.0001712400000000, 0.0002055500000000, -0.0003109100000000 ] - [ 0.0000939000000000, -0.0003505100000000, -0.0002607600000000 ] - [ -0.0000233200000000, -0.0000453100000000, -0.0001303500000000 ] - [ -0.0004471400000000, -0.0003737800000000, -0.0000634600000000 ] - [ 0.0003737800000000, -0.0004471400000000, -0.0000634600000000 ] - [ -0.0003737800000000, 0.0004471400000000, -0.0000634600000000 ] - [ 0.0004471400000000, 0.0003737800000000, -0.0000634600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002265300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000070500000000 ] - [ 0.0003505100000000, 0.0000939000000000, -0.0002607600000000 ] - [ -0.0004409000000000, 0.0001255000000000, -0.0006074000000000 ] - [ 0.0000453100000000, -0.0000233200000000, -0.0001303500000000 ] - [ -0.0002055500000000, -0.0001712400000000, -0.0003109100000000 ] - [ 0.0000233200000000, 0.0000453100000000, -0.0001303500000000 ] - [ -0.0000939000000000, 0.0003505100000000, -0.0002607600000000 ] - [ 0.0001712400000000, -0.0002055500000000, -0.0003109100000000 ] - [ -0.0001255000000000, -0.0004409000000000, -0.0006074000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0083258100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009700000000 ] - [ -0.0002166400000000, 0.0002162200000000, -0.0008709600000000 ] - [ -0.0002162200000000, -0.0002166400000000, -0.0008709600000000 ] - [ 0.0002162200000000, 0.0002166400000000, -0.0008709600000000 ] - [ 0.0002166400000000, -0.0002162200000000, -0.0008709600000000 ] - [ -0.0000438300000000, 0.0000443900000000, 0.0004938100000000 ] - [ -0.0000443900000000, -0.0000438300000000, 0.0004938100000000 ] - [ 0.0000443900000000, 0.0000438300000000, 0.0004938100000000 ] - [ 0.0000438300000000, -0.0000443900000000, 0.0004938100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004056100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004056100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002254200000000 ] - [ -0.0022949300000000, -0.0009771700000000, 0.0016622600000000 ] - [ 0.0011346600000000, -0.0002056300000000, 0.0004496500000000 ] - [ -0.0000581900000000, 0.0001456200000000, 0.0000058300000000 ] - [ 0.0002473500000000, 0.0001339000000000, -0.0000266300000000 ] - [ -0.0002056300000000, -0.0011346600000000, 0.0004496500000000 ] - [ 0.0001339000000000, -0.0002473500000000, -0.0000266300000000 ] - [ -0.0009771700000000, 0.0022949300000000, 0.0016622600000000 ] - [ 0.0001456200000000, 0.0000581900000000, 0.0000058300000000 ] - [ -0.0002473500000000, -0.0001339000000000, -0.0000266300000000 ] - [ 0.0000581900000000, -0.0001456200000000, 0.0000058300000000 ] - [ -0.0011346600000000, 0.0002056300000000, 0.0004496500000000 ] - [ 0.0022949300000000, 0.0009771700000000, 0.0016622600000000 ] - [ -0.0001456200000000, -0.0000581900000000, 0.0000058300000000 ] - [ 0.0009771700000000, -0.0022949300000000, 0.0016622600000000 ] - [ -0.0001339000000000, 0.0002473500000000, -0.0000266300000000 ] - [ 0.0002056300000000, 0.0011346600000000, 0.0004496500000000 ] - [ 0.0002598100000000, 0.0001215400000000, -0.0000265300000000 ] - [ -0.0000790500000000, 0.0010061100000000, 0.0004441300000000 ] - [ 0.0002721400000000, -0.0001838000000000, 0.0000056600000000 ] - [ -0.0008663700000000, -0.0024414400000000, 0.0016598100000000 ] - [ 0.0010061100000000, 0.0000790500000000, 0.0004441300000000 ] - [ -0.0024414400000000, 0.0008663700000000, 0.0016598100000000 ] - [ 0.0001215400000000, -0.0002598100000000, -0.0000265300000000 ] - [ -0.0001838000000000, -0.0002721400000000, 0.0000056600000000 ] - [ 0.0008663700000000, 0.0024414400000000, 0.0016598100000000 ] - [ -0.0002721400000000, 0.0001838000000000, 0.0000056600000000 ] - [ 0.0000790500000000, -0.0010061100000000, 0.0004441300000000 ] - [ -0.0002598100000000, -0.0001215400000000, -0.0000265300000000 ] - [ 0.0001838000000000, 0.0002721400000000, 0.0000056600000000 ] - [ -0.0001215400000000, 0.0002598100000000, -0.0000265300000000 ] - [ 0.0024414400000000, -0.0008663700000000, 0.0016598100000000 ] - [ -0.0010061100000000, -0.0000790500000000, 0.0004441300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000353300000000, -0.0001604100000000, -0.0005683800000000 ] - [ -0.0001847500000000, 0.0000894000000000, 0.0003831100000000 ] - [ 0.0000580300000000, 0.0000962100000000, -0.0001190000000000 ] - [ -0.0000141000000000, -0.0000148400000000, 0.0000634400000000 ] - [ 0.0013375400000000, 0.0001856600000000, 0.0002961500000000 ] - [ -0.0004597000000000, -0.0000488800000000, -0.0000755900000000 ] - [ 0.0018471600000000, 0.0010197700000000, -0.0000026600000000 ] - [ -0.0014143500000000, 0.0000366700000000, 0.0002914600000000 ] - [ -0.0012828400000000, 0.0000283600000000, 0.0019922700000000 ] - [ -0.0015365000000000, -0.0001746500000000, 0.0006715800000000 ] - [ 0.0001190800000000, -0.0003876800000000, -0.0003197600000000 ] - [ -0.0002516100000000, -0.0000224200000000, 0.0001130700000000 ] - [ -0.0001945200000000, -0.0008966000000000, -0.0004060100000000 ] - [ -0.0001888300000000, 0.0007337000000000, -0.0000238700000000 ] - [ -0.0009586900000000, 0.0011040200000000, -0.0008446600000000 ] - [ -0.0002151000000000, -0.0011702100000000, 0.0002886300000000 ] - [ 0.0078213400000000, -0.0043058400000000, -0.0073711600000000 ] - [ -0.0014441600000000, 0.0000612800000000, -0.0000616300000000 ] - [ 0.0003204500000000, -0.0002140700000000, 0.0000858900000000 ] - [ -0.0004262700000000, 0.0001177500000000, 0.0000697300000000 ] - [ 0.0001438700000000, -0.0000496900000000, -0.0000352900000000 ] - [ -0.0001637500000000, 0.0000979200000000, 0.0000339600000000 ] - [ 0.0001035000000000, 0.0001225300000000, -0.0002464800000000 ] - [ -0.0003793200000000, -0.0001380900000000, 0.0002911300000000 ] - [ 0.0028820100000000, 0.0000157600000000, 0.0000000000000000 ] - [ -0.0018188300000000, 0.0006188300000000, 0.0000000000000000 ] - [ 0.0001609700000000, 0.0004769300000000, 0.0000000000000000 ] - [ -0.0008791700000000, -0.0001993300000000, 0.0000000000000000 ] - [ 0.0016843600000000, -0.0007408100000000, 0.0000000000000000 ] - [ -0.0018825000000000, 0.0005077900000000, 0.0000000000000000 ] - [ 0.0014362000000000, 0.0008779400000000, 0.0000000000000000 ] - [ -0.0010605800000000, -0.0010147400000000, 0.0000000000000000 ] - [ 0.0003864800000000, 0.0000804400000000, 0.0001473100000000 ] - [ -0.0002389300000000, -0.0000546200000000, -0.0000283600000000 ] - [ 0.0002996100000000, -0.0002643400000000, 0.0001069500000000 ] - [ -0.0003864800000000, 0.0002088400000000, -0.0002260700000000 ] - [ 0.0006322600000000, -0.0000853900000000, 0.0002473900000000 ] - [ -0.0005146900000000, -0.0001273300000000, -0.0001393700000000 ] - [ 0.0002140400000000, 0.0000375500000000, -0.0000374800000000 ] - [ -0.0001914100000000, -0.0000463100000000, 0.0000423700000000 ] - [ 0.0013375400000000, 0.0001856600000000, -0.0002961500000000 ] - [ -0.0004597000000000, -0.0000488800000000, 0.0000755900000000 ] - [ 0.0018471600000000, 0.0010197700000000, 0.0000026600000000 ] - [ -0.0014143500000000, 0.0000366700000000, -0.0002914600000000 ] - [ 0.0000353300000000, -0.0001604100000000, 0.0005683800000000 ] - [ -0.0001847500000000, 0.0000894000000000, -0.0003831100000000 ] - [ 0.0000580300000000, 0.0000962100000000, 0.0001190000000000 ] - [ -0.0000141000000000, -0.0000148400000000, -0.0000634400000000 ] - [ 0.0003864800000000, 0.0000804400000000, -0.0001473100000000 ] - [ -0.0002389300000000, -0.0000546200000000, 0.0000283600000000 ] - [ 0.0002996100000000, -0.0002643400000000, -0.0001069500000000 ] - [ -0.0003864800000000, 0.0002088400000000, 0.0002260700000000 ] - [ 0.0006322600000000, -0.0000853900000000, -0.0002473900000000 ] - [ -0.0005146900000000, -0.0001273300000000, 0.0001393700000000 ] - [ 0.0002140400000000, 0.0000375500000000, 0.0000374800000000 ] - [ -0.0001914100000000, -0.0000463100000000, -0.0000423700000000 ] - [ 0.0001438700000000, -0.0000496900000000, 0.0000352900000000 ] - [ -0.0001637500000000, 0.0000979200000000, -0.0000339600000000 ] - [ 0.0001035000000000, 0.0001225300000000, 0.0002464800000000 ] - [ -0.0003793200000000, -0.0001380900000000, -0.0002911300000000 ] - [ 0.0078213400000000, -0.0043058400000000, 0.0073711600000000 ] - [ -0.0014441600000000, 0.0000612800000000, 0.0000616300000000 ] - [ 0.0003204500000000, -0.0002140700000000, -0.0000858900000000 ] - [ -0.0004262700000000, 0.0001177500000000, -0.0000697300000000 ] - [ 0.0003419700000000, -0.0000164500000000, 0.0000000000000000 ] - [ -0.0003889300000000, 0.0000198800000000, 0.0000000000000000 ] - [ 0.0003076900000000, -0.0000187600000000, 0.0000000000000000 ] - [ -0.0002866200000000, -0.0000096900000000, 0.0000000000000000 ] - [ 0.0001230500000000, -0.0000392900000000, 0.0000000000000000 ] - [ -0.0000906800000000, -0.0000180000000000, 0.0000000000000000 ] - [ 0.0000788700000000, 0.0000951000000000, 0.0000000000000000 ] - [ -0.0001096000000000, -0.0000271600000000, 0.0000000000000000 ] - [ -0.0012828400000000, 0.0000283600000000, -0.0019922700000000 ] - [ -0.0015365000000000, -0.0001746500000000, -0.0006715800000000 ] - [ 0.0001190800000000, -0.0003876800000000, 0.0003197600000000 ] - [ -0.0002516100000000, -0.0000224200000000, -0.0001130700000000 ] - [ -0.0001945200000000, -0.0008966000000000, 0.0004060100000000 ] - [ -0.0001888300000000, 0.0007337000000000, 0.0000238700000000 ] - [ -0.0009586900000000, 0.0011040200000000, 0.0008446600000000 ] - [ -0.0002151000000000, -0.0011702100000000, -0.0002886300000000 ] - [ 0.0002317700000000, 0.0013520500000000, -0.0023645600000000 ] - [ 0.0017240800000000, -0.0007043700000000, 0.0010750600000000 ] - [ -0.0001907100000000, -0.0001665300000000, -0.0001209900000000 ] - [ 0.0002410200000000, 0.0001591900000000, 0.0001852300000000 ] - [ -0.0024350200000000, 0.0007156600000000, 0.0009209100000000 ] - [ 0.0006816100000000, -0.0001444200000000, -0.0002079500000000 ] - [ -0.0003876300000000, -0.0001279900000000, 0.0001406900000000 ] - [ 0.0004752800000000, 0.0001095900000000, -0.0001957200000000 ] - [ -0.0024350200000000, 0.0007156600000000, -0.0009209100000000 ] - [ 0.0006816100000000, -0.0001444200000000, 0.0002079500000000 ] - [ -0.0003876300000000, -0.0001279900000000, -0.0001406900000000 ] - [ 0.0004752800000000, 0.0001095900000000, 0.0001957200000000 ] - [ 0.0002317700000000, 0.0013520500000000, 0.0023645600000000 ] - [ 0.0017240800000000, -0.0007043700000000, -0.0010750600000000 ] - [ -0.0001907100000000, -0.0001665300000000, 0.0001209900000000 ] - [ 0.0002410200000000, 0.0001591900000000, -0.0001852300000000 ] - [ -0.0311209900000000, 0.0072122700000000, 0.0000000000000000 ] - [ 0.0028654100000000, -0.0002388300000000, 0.0000000000000000 ] - [ -0.0010384100000000, -0.0002391000000000, 0.0000000000000000 ] - [ 0.0010906800000000, 0.0002796600000000, 0.0000000000000000 ] - [ -0.0039594700000000, -0.0045435500000000, 0.0000000000000000 ] - [ 0.0017095700000000, 0.0003376500000000, 0.0000000000000000 ] - [ -0.0039311800000000, 0.0037957800000000, 0.0000000000000000 ] - [ 0.0017116700000000, -0.0006533100000000, 0.0000000000000000 ] - [ 0.0011370900000000, 0.0033766700000000, 0.0000000000000000 ] - [ 0.0006610000000000, -0.0005976000000000, 0.0000000000000000 ] - [ 0.0025712600000000, -0.0078886500000000, 0.0000000000000000 ] - [ 0.0064485500000000, 0.0033805300000000, 0.0000000000000000 ] - [ 0.0073738000000000, 0.0045606900000000, 0.0000000000000000 ] - [ 0.0073252000000000, -0.0037729300000000, 0.0000000000000000 ] - [ 0.0001372600000000, -0.0003386300000000, 0.0000000000000000 ] - [ 0.0001420000000000, 0.0006482000000000, 0.0000000000000000 ] - [ -0.0000212400000000, 0.0003526600000000, 0.0000000000000000 ] - [ 0.0002260400000000, -0.0003808300000000, 0.0000000000000000 ] - [ 0.0002246900000000, -0.0003818200000000, 0.0000000000000000 ] - [ -0.0000191500000000, 0.0002689800000000, 0.0000000000000000 ] - [ -0.0010096500000000, -0.0002421200000000, 0.0000000000000000 ] - [ 0.0007599000000000, 0.0001630200000000, 0.0000000000000000 ] - [ -0.0003717700000000, -0.0001251800000000, 0.0000000000000000 ] - [ 0.0002007100000000, -0.0000723500000000, 0.0000000000000000 ] - [ -0.0005563300000000, 0.0000189600000000, 0.0000000000000000 ] - [ 0.0005725700000000, 0.0001566100000000, 0.0000000000000000 ] - [ -0.0003568600000000, 0.0001568300000000, 0.0000000000000000 ] - [ 0.0002889300000000, -0.0001402900000000, 0.0000000000000000 ] - [ -0.0005947500000000, -0.0001614900000000, 0.0000000000000000 ] - [ 0.0004486200000000, 0.0000719300000000, 0.0000000000000000 ] - [ -0.0006953500000000, 0.0002385900000000, 0.0000000000000000 ] - [ 0.0008558200000000, 0.0001258700000000, 0.0000000000000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000199700000000, 0.0002167100000000, 0.0005633900000000 ] - [ 0.0002378700000000, -0.0000330000000000, -0.0003809300000000 ] - [ 0.0000000000000000, -0.0000386700000000, 0.0001206900000000 ] - [ 0.0000690300000000, 0.0000730500000000, -0.0000638600000000 ] - [ -0.0012768500000000, -0.0001282400000000, -0.0002938800000000 ] - [ 0.0005131200000000, 0.0001055900000000, 0.0000758900000000 ] - [ -0.0017893200000000, -0.0009997300000000, 0.0000074300000000 ] - [ 0.0014665000000000, 0.0000220300000000, -0.0002908200000000 ] - [ 0.0013049300000000, -0.0000801100000000, -0.0019128500000000 ] - [ 0.0014749600000000, 0.0001149900000000, -0.0006719800000000 ] - [ -0.0001760100000000, 0.0003317900000000, 0.0003177800000000 ] - [ 0.0001907100000000, -0.0000337900000000, -0.0001115000000000 ] - [ 0.0002556400000000, 0.0008315200000000, 0.0004062500000000 ] - [ 0.0002373900000000, -0.0007895300000000, 0.0000190000000000 ] - [ 0.0010086200000000, -0.0011522500000000, 0.0008383800000000 ] - [ 0.0002695400000000, 0.0011191000000000, -0.0002893200000000 ] - [ -0.0080135600000000, 0.0045400200000000, 0.0075891400000000 ] - [ 0.0013770700000000, -0.0000040800000000, 0.0000599100000000 ] - [ -0.0003799800000000, 0.0002697800000000, -0.0000857400000000 ] - [ 0.0003656100000000, -0.0000575500000000, -0.0000687300000000 ] - [ -0.0002019600000000, 0.0001055100000000, 0.0000345400000000 ] - [ 0.0001028300000000, -0.0000402400000000, -0.0000350600000000 ] - [ -0.0001622400000000, -0.0000625300000000, 0.0002452700000000 ] - [ 0.0003179400000000, 0.0001959000000000, -0.0002913900000000 ] - [ -0.0032850000000000, -0.0001969700000000, 0.0000000000000000 ] - [ 0.0018098200000000, -0.0006135800000000, 0.0000000000000000 ] - [ -0.0001642800000000, -0.0004728400000000, 0.0000000000000000 ] - [ 0.0008805300000000, 0.0001994800000000, 0.0000000000000000 ] - [ -0.0016406500000000, 0.0008224800000000, 0.0000000000000000 ] - [ 0.0018805000000000, -0.0005116000000000, 0.0000000000000000 ] - [ -0.0014312500000000, -0.0008685300000000, 0.0000000000000000 ] - [ 0.0010546600000000, 0.0010158500000000, 0.0000000000000000 ] - [ -0.0004444000000000, -0.0001380000000000, -0.0001466600000000 ] - [ 0.0001782500000000, -0.0000042100000000, 0.0000280900000000 ] - [ -0.0003598300000000, 0.0002070000000000, -0.0001033200000000 ] - [ 0.0003259900000000, -0.0002648500000000, 0.0002243200000000 ] - [ -0.0005753800000000, 0.0000277800000000, -0.0002491000000000 ] - [ 0.0005678200000000, 0.0000691800000000, 0.0001375000000000 ] - [ -0.0001579800000000, -0.0000962600000000, 0.0000372100000000 ] - [ 0.0002467200000000, -0.0000111800000000, -0.0000429100000000 ] - [ -0.0012768500000000, -0.0001282400000000, 0.0002938800000000 ] - [ 0.0005131200000000, 0.0001055900000000, -0.0000758900000000 ] - [ -0.0017893200000000, -0.0009997300000000, -0.0000074300000000 ] - [ 0.0014665000000000, 0.0000220300000000, 0.0002908200000000 ] - [ 0.0000199700000000, 0.0002167100000000, -0.0005633900000000 ] - [ 0.0002378700000000, -0.0000330000000000, 0.0003809300000000 ] - [ 0.0000000000000000, -0.0000386700000000, -0.0001206900000000 ] - [ 0.0000690300000000, 0.0000730500000000, 0.0000638600000000 ] - [ -0.0004444000000000, -0.0001380000000000, 0.0001466600000000 ] - [ 0.0001782500000000, -0.0000042100000000, -0.0000280900000000 ] - [ -0.0003598300000000, 0.0002070000000000, 0.0001033200000000 ] - [ 0.0003259900000000, -0.0002648500000000, -0.0002243200000000 ] - [ -0.0005753800000000, 0.0000277800000000, 0.0002491000000000 ] - [ 0.0005678200000000, 0.0000691800000000, -0.0001375000000000 ] - [ -0.0001579800000000, -0.0000962600000000, -0.0000372100000000 ] - [ 0.0002467200000000, -0.0000111800000000, 0.0000429100000000 ] - [ -0.0002019600000000, 0.0001055100000000, -0.0000345400000000 ] - [ 0.0001028300000000, -0.0000402400000000, 0.0000350600000000 ] - [ -0.0001622400000000, -0.0000625300000000, -0.0002452700000000 ] - [ 0.0003179400000000, 0.0001959000000000, 0.0002913900000000 ] - [ -0.0080135600000000, 0.0045400200000000, -0.0075891400000000 ] - [ 0.0013770700000000, -0.0000040800000000, -0.0000599100000000 ] - [ -0.0003799800000000, 0.0002697800000000, 0.0000857400000000 ] - [ 0.0003656100000000, -0.0000575500000000, 0.0000687300000000 ] - [ -0.0003415900000000, 0.0000150100000000, 0.0000000000000000 ] - [ 0.0003845800000000, -0.0000202100000000, 0.0000000000000000 ] - [ -0.0003078400000000, 0.0000193600000000, 0.0000000000000000 ] - [ 0.0002829200000000, 0.0000107600000000, 0.0000000000000000 ] - [ -0.0001251200000000, 0.0000397100000000, 0.0000000000000000 ] - [ 0.0000889100000000, 0.0000190100000000, 0.0000000000000000 ] - [ -0.0000820000000000, -0.0000952600000000, 0.0000000000000000 ] - [ 0.0001072500000000, 0.0000262300000000, 0.0000000000000000 ] - [ 0.0013049300000000, -0.0000801100000000, 0.0019128500000000 ] - [ 0.0014749600000000, 0.0001149900000000, 0.0006719800000000 ] - [ -0.0001760100000000, 0.0003317900000000, -0.0003177800000000 ] - [ 0.0001907100000000, -0.0000337900000000, 0.0001115000000000 ] - [ 0.0002556400000000, 0.0008315200000000, -0.0004062500000000 ] - [ 0.0002373900000000, -0.0007895300000000, -0.0000190000000000 ] - [ 0.0010086200000000, -0.0011522500000000, -0.0008383800000000 ] - [ 0.0002695400000000, 0.0011191000000000, 0.0002893200000000 ] - [ -0.0002246400000000, -0.0013484500000000, 0.0023714700000000 ] - [ -0.0017179600000000, 0.0007008100000000, -0.0010670800000000 ] - [ 0.0001893200000000, 0.0001663400000000, 0.0001201800000000 ] - [ -0.0002430600000000, -0.0001590100000000, -0.0001850000000000 ] - [ 0.0024203700000000, -0.0007085400000000, -0.0009231500000000 ] - [ -0.0006799900000000, 0.0001465500000000, 0.0002090200000000 ] - [ 0.0003769500000000, 0.0001358000000000, -0.0001455400000000 ] - [ -0.0004763100000000, -0.0001098700000000, 0.0001960500000000 ] - [ 0.0024203700000000, -0.0007085400000000, 0.0009231500000000 ] - [ -0.0006799900000000, 0.0001465500000000, -0.0002090200000000 ] - [ 0.0003769500000000, 0.0001358000000000, 0.0001455400000000 ] - [ -0.0004763100000000, -0.0001098700000000, -0.0001960500000000 ] - [ -0.0002246400000000, -0.0013484500000000, -0.0023714700000000 ] - [ -0.0017179600000000, 0.0007008100000000, 0.0010670800000000 ] - [ 0.0001893200000000, 0.0001663400000000, -0.0001201800000000 ] - [ -0.0002430600000000, -0.0001590100000000, 0.0001850000000000 ] - [ 0.0319189900000000, -0.0075749900000000, 0.0000000000000000 ] - [ -0.0027379900000000, 0.0001179900000000, 0.0000000000000000 ] - [ 0.0011528600000000, 0.0001183900000000, 0.0000000000000000 ] - [ -0.0009719000000000, -0.0003999900000000, 0.0000000000000000 ] - [ 0.0038344800000000, 0.0044014800000000, 0.0000000000000000 ] - [ -0.0018303900000000, -0.0004508300000000, 0.0000000000000000 ] - [ 0.0038616800000000, -0.0039149500000000, 0.0000000000000000 ] - [ -0.0018287000000000, 0.0005265000000000, 0.0000000000000000 ] - [ -0.0012681400000000, -0.0032703500000000, 0.0000000000000000 ] - [ -0.0007763000000000, 0.0007162100000000, 0.0000000000000000 ] - [ -0.0027075500000000, 0.0079349600000000, 0.0000000000000000 ] - [ -0.0065844400000000, -0.0032645000000000, 0.0000000000000000 ] - [ -0.0071872600000000, -0.0043800600000000, 0.0000000000000000 ] - [ -0.0072374500000000, 0.0039375400000000, 0.0000000000000000 ] - [ -0.0000229900000000, 0.0004510300000000, 0.0000000000000000 ] - [ -0.0000194400000000, -0.0005318900000000, 0.0000000000000000 ] - [ 0.0001389800000000, -0.0004691200000000, 0.0000000000000000 ] - [ -0.0001067300000000, 0.0002605700000000, 0.0000000000000000 ] - [ -0.0001090500000000, 0.0002604700000000, 0.0000000000000000 ] - [ 0.0001407900000000, -0.0003891200000000, 0.0000000000000000 ] - [ 0.0008811800000000, 0.0001189000000000, 0.0000000000000000 ] - [ -0.0008774800000000, -0.0002806000000000, 0.0000000000000000 ] - [ 0.0002482000000000, 0.0000072700000000, 0.0000000000000000 ] - [ -0.0003198100000000, -0.0000468700000000, 0.0000000000000000 ] - [ 0.0004335200000000, 0.0001005100000000, 0.0000000000000000 ] - [ -0.0006918600000000, -0.0000347400000000, 0.0000000000000000 ] - [ 0.0002355800000000, -0.0000349900000000, 0.0000000000000000 ] - [ -0.0004110000000000, 0.0002581700000000, 0.0000000000000000 ] - [ 0.0007094200000000, 0.0002828600000000, 0.0000000000000000 ] - [ -0.0003304900000000, 0.0000477200000000, 0.0000000000000000 ] - [ 0.0008096000000000, -0.0001205400000000, 0.0000000000000000 ] - [ -0.0007331400000000, -0.0000046300000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001412400000000, 0.0002030200000000, -0.0006995000000000 ] - [ 0.0002191600000000, 0.0000424600000000, -0.0006221900000000 ] - [ -0.0001226300000000, 0.0001001200000000, -0.0002113200000000 ] - [ 0.0000216400000000, 0.0000138300000000, -0.0000464300000000 ] - [ 0.0005616900000000, 0.0004074100000000, 0.0009679100000000 ] - [ -0.0000651300000000, 0.0000334300000000, 0.0001036100000000 ] - [ 0.0005211300000000, 0.0019902600000000, 0.0038511700000000 ] - [ -0.0000505500000000, 0.0001311300000000, 0.0001454000000000 ] - [ -0.0019902600000000, -0.0005211300000000, 0.0038511700000000 ] - [ -0.0004074100000000, -0.0005616900000000, 0.0009679100000000 ] - [ -0.0001311300000000, 0.0000505500000000, 0.0001454000000000 ] - [ -0.0000334300000000, 0.0000651300000000, 0.0001036100000000 ] - [ 0.0000222300000000, 0.0002543800000000, 0.0005548500000000 ] - [ 0.0004441200000000, -0.0004441200000000, 0.0009524900000000 ] - [ 0.0003211200000000, -0.0003211200000000, 0.0006739800000000 ] - [ -0.0002543800000000, -0.0000222300000000, 0.0005548500000000 ] - [ -0.0049063700000000, 0.0049063700000000, 0.0131083500000000 ] - [ 0.0001453200000000, -0.0000042800000000, 0.0003346900000000 ] - [ 0.0000042800000000, -0.0001453200000000, 0.0003346900000000 ] - [ -0.0000011000000000, 0.0000011000000000, 0.0000063200000000 ] - [ -0.0001506200000000, -0.0002647900000000, -0.0003727100000000 ] - [ -0.0000782600000000, 0.0000782600000000, -0.0001068500000000 ] - [ -0.0000838500000000, 0.0000838500000000, -0.0003848600000000 ] - [ 0.0002647900000000, 0.0001506200000000, -0.0003727100000000 ] - [ -0.0000091600000000, -0.0000047800000000, 0.0006485100000000 ] - [ -0.0000029400000000, 0.0000014200000000, 0.0005594000000000 ] - [ 0.0000003200000000, 0.0000000700000000, 0.0000891000000000 ] - [ 0.0000031200000000, 0.0000015100000000, 0.0000397900000000 ] - [ 0.0000047800000000, 0.0000091600000000, 0.0006485100000000 ] - [ -0.0000000700000000, -0.0000003200000000, 0.0000891000000000 ] - [ -0.0000014200000000, 0.0000029400000000, 0.0005594000000000 ] - [ -0.0000015100000000, -0.0000031200000000, 0.0000397900000000 ] - [ -0.0000424600000000, -0.0002191600000000, -0.0006221900000000 ] - [ -0.0000138300000000, -0.0000216400000000, -0.0000464300000000 ] - [ -0.0002030200000000, 0.0001412400000000, -0.0006995000000000 ] - [ -0.0001001200000000, 0.0001226300000000, -0.0002113200000000 ] - [ 0.0001251600000000, -0.0001251600000000, -0.0010940600000000 ] - [ -0.0001248400000000, -0.0001332400000000, -0.0002384800000000 ] - [ 0.0001332400000000, 0.0001248400000000, -0.0002384800000000 ] - [ 0.0000436900000000, -0.0000436900000000, -0.0000137800000000 ] - [ -0.0005069300000000, -0.0003493700000000, 0.0009652600000000 ] - [ 0.0001232200000000, 0.0000244600000000, 0.0001004200000000 ] - [ -0.0004570200000000, -0.0019825000000000, 0.0037796300000000 ] - [ 0.0001024100000000, -0.0000724300000000, 0.0001399000000000 ] - [ 0.0001974800000000, -0.0001450700000000, -0.0006967200000000 ] - [ -0.0001609400000000, 0.0000147300000000, -0.0006203900000000 ] - [ 0.0001796300000000, -0.0000417200000000, -0.0002097200000000 ] - [ 0.0000366500000000, 0.0000448400000000, -0.0000433500000000 ] - [ -0.0000147300000000, 0.0001609400000000, -0.0006203900000000 ] - [ -0.0000448400000000, -0.0000366500000000, -0.0000433500000000 ] - [ 0.0001450700000000, -0.0001974800000000, -0.0006967200000000 ] - [ 0.0000417200000000, -0.0001796300000000, -0.0002097200000000 ] - [ -0.0000642300000000, 0.0000642300000000, -0.0010849000000000 ] - [ 0.0001825900000000, 0.0000749900000000, -0.0002351200000000 ] - [ -0.0000749900000000, -0.0001825900000000, -0.0002351200000000 ] - [ 0.0000152900000000, -0.0000152900000000, -0.0000116500000000 ] - [ 0.0000911300000000, 0.0003221800000000, -0.0003696200000000 ] - [ 0.0000196400000000, -0.0000196400000000, -0.0001048500000000 ] - [ 0.0000237700000000, -0.0000237700000000, -0.0003826300000000 ] - [ -0.0003221800000000, -0.0000911300000000, -0.0003696200000000 ] - [ 0.0045523300000000, -0.0045523300000000, 0.0127366100000000 ] - [ -0.0002044000000000, 0.0000626200000000, 0.0003318200000000 ] - [ -0.0000626200000000, 0.0002044000000000, 0.0003318200000000 ] - [ -0.0000583000000000, 0.0000583000000000, 0.0000029200000000 ] - [ -0.0000000700000000, -0.0000007200000000, -0.0005268200000000 ] - [ -0.0000002400000000, -0.0000000300000000, -0.0001003600000000 ] - [ -0.0000003200000000, 0.0000008800000000, -0.0003083400000000 ] - [ 0.0000000900000000, 0.0000005500000000, -0.0000463000000000 ] - [ 0.0000007200000000, 0.0000000700000000, -0.0005268200000000 ] - [ -0.0000008800000000, 0.0000003200000000, -0.0003083400000000 ] - [ 0.0000000300000000, 0.0000002400000000, -0.0001003600000000 ] - [ -0.0000005500000000, -0.0000000900000000, -0.0000463000000000 ] - [ 0.0019825000000000, 0.0004570200000000, 0.0037796300000000 ] - [ 0.0003493700000000, 0.0005069300000000, 0.0009652600000000 ] - [ 0.0000724300000000, -0.0001024100000000, 0.0001399000000000 ] - [ -0.0000244600000000, -0.0001232200000000, 0.0001004200000000 ] - [ 0.0000402000000000, -0.0003165900000000, 0.0005491900000000 ] - [ -0.0003861300000000, 0.0003861300000000, 0.0009479500000000 ] - [ -0.0002633200000000, 0.0002633200000000, 0.0006685400000000 ] - [ 0.0003165900000000, -0.0000402000000000, 0.0005491900000000 ] - [ -0.0021911000000000, -0.0017285300000000, 0.0016624800000000 ] - [ 0.0010831900000000, -0.0005584800000000, 0.0004471400000000 ] - [ 0.0000018700000000, 0.0001715000000000, 0.0000048900000000 ] - [ 0.0000456100000000, -0.0000272100000000, -0.0000272600000000 ] - [ 0.0017285300000000, 0.0021911000000000, 0.0016624800000000 ] - [ -0.0001715000000000, -0.0000018700000000, 0.0000048900000000 ] - [ 0.0005584800000000, -0.0010831900000000, 0.0004471400000000 ] - [ 0.0000272100000000, -0.0000456100000000, -0.0000272600000000 ] - [ -0.0017284300000000, -0.0021767500000000, 0.0016589800000000 ] - [ 0.0001733700000000, 0.0000036300000000, 0.0000049400000000 ] - [ -0.0005591200000000, 0.0010805500000000, 0.0004454200000000 ] - [ -0.0000268000000000, 0.0000462800000000, -0.0000274900000000 ] - [ 0.0021767500000000, 0.0017284300000000, 0.0016589800000000 ] - [ -0.0010805500000000, 0.0005591200000000, 0.0004454200000000 ] - [ -0.0000036300000000, -0.0001733700000000, 0.0000049400000000 ] - [ -0.0000462800000000, 0.0000268000000000, -0.0000274900000000 ] - [ 0.0003412400000000, -0.0003412400000000, -0.0275010100000000 ] - [ 0.0000632100000000, -0.0000624300000000, -0.0001367900000000 ] - [ 0.0000624300000000, -0.0000632100000000, -0.0001367900000000 ] - [ 0.0000634400000000, -0.0000634400000000, 0.0000469800000000 ] - [ -0.0000540100000000, -0.0000689000000000, -0.0062919700000000 ] - [ -0.0000631900000000, -0.0000623100000000, -0.0001206900000000 ] - [ -0.0000755900000000, -0.0000565100000000, -0.0062921700000000 ] - [ -0.0000602800000000, -0.0000633400000000, -0.0001215900000000 ] - [ -0.0000743900000000, 0.0000478400000000, 0.0002683100000000 ] - [ -0.0000635500000000, 0.0000635500000000, -0.0011311900000000 ] - [ -0.0000710000000000, 0.0000710000000000, -0.0056259900000000 ] - [ -0.0000478400000000, 0.0000743900000000, 0.0002683100000000 ] - [ 0.0000565100000000, 0.0000755900000000, -0.0062921700000000 ] - [ 0.0000689000000000, 0.0000540100000000, -0.0062919700000000 ] - [ 0.0000633400000000, 0.0000602800000000, -0.0001215900000000 ] - [ 0.0000623100000000, 0.0000631900000000, -0.0001206900000000 ] - [ 0.0000619900000000, -0.0000605200000000, 0.0004305800000000 ] - [ 0.0000602900000000, -0.0000602900000000, 0.0005716100000000 ] - [ 0.0000599900000000, -0.0000599900000000, 0.0005701400000000 ] - [ 0.0000605200000000, -0.0000619900000000, 0.0004305800000000 ] - [ -0.0000608800000000, -0.0000624200000000, 0.0012777300000000 ] - [ -0.0000630200000000, -0.0000617900000000, 0.0008529000000000 ] - [ -0.0000608000000000, -0.0000615300000000, 0.0003223200000000 ] - [ -0.0000641400000000, -0.0000636500000000, 0.0000011100000000 ] - [ -0.0000657500000000, 0.0000657500000000, 0.0018326400000000 ] - [ -0.0000599600000000, 0.0000607800000000, 0.0004097500000000 ] - [ -0.0000607800000000, 0.0000599600000000, 0.0004097500000000 ] - [ -0.0000618000000000, 0.0000618000000000, 0.0001595300000000 ] - [ 0.0000617900000000, 0.0000630200000000, 0.0008529000000000 ] - [ 0.0000636500000000, 0.0000641400000000, 0.0000011100000000 ] - [ 0.0000624200000000, 0.0000608800000000, 0.0012777300000000 ] - [ 0.0000615300000000, 0.0000608000000000, 0.0003223200000000 ]