# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f6b39353-d120-4cb4-9be1-c19b1d8949e3/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 Tl2SnO3 / Pnma (62) / materials id 540586](https://mdr.nims.go.jp/datasets/9cea8f1a-1f3e-4627-b16b-3988a1c79043) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.199885620000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.251227620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.358286520000000 ] # c points: - symbol: Tl # 1 coordinates: [ 0.632791820000000, 0.750000000000000, 0.103577520000000 ] mass: 204.383300 - symbol: Tl # 2 coordinates: [ 0.367208180000000, 0.250000000000000, 0.896422480000000 ] mass: 204.383300 - symbol: Tl # 3 coordinates: [ 0.132791820000000, 0.750000000000000, 0.396422480000000 ] mass: 204.383300 - symbol: Tl # 4 coordinates: [ 0.867208180000000, 0.250000000000000, 0.603577520000000 ] mass: 204.383300 - symbol: Tl # 5 coordinates: [ 0.791586510000000, 0.750000000000000, 0.349203410000000 ] mass: 204.383300 - symbol: Tl # 6 coordinates: [ 0.208413490000000, 0.250000000000000, 0.650796590000000 ] mass: 204.383300 - symbol: Tl # 7 coordinates: [ 0.291586510000000, 0.750000000000000, 0.150796590000000 ] mass: 204.383300 - symbol: Tl # 8 coordinates: [ 0.708413490000000, 0.250000000000000, 0.849203410000000 ] mass: 204.383300 - symbol: Sn # 9 coordinates: [ 0.959614840000000, 0.250000000000000, 0.111406890000000 ] mass: 118.710000 - symbol: Sn # 10 coordinates: [ 0.040385160000000, 0.750000000000000, 0.888593110000000 ] mass: 118.710000 - symbol: Sn # 11 coordinates: [ 0.459614840000000, 0.250000000000000, 0.388593110000000 ] mass: 118.710000 - symbol: Sn # 12 coordinates: [ 0.540385160000000, 0.750000000000000, 0.611406890000000 ] mass: 118.710000 - symbol: O # 13 coordinates: [ 0.892170830000000, 0.750000000000000, 0.009126030000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.107829170000000, 0.250000000000000, 0.990873970000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.392170830000000, 0.750000000000000, 0.490873970000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.607829170000000, 0.250000000000000, 0.509126030000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.542645430000000, 0.750000000000000, 0.306683190000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.457354570000000, 0.250000000000000, 0.693316810000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.042645430000000, 0.750000000000000, 0.193316810000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.957354570000000, 0.250000000000000, 0.806683190000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.786019990000000, 0.250000000000000, 0.191741250000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.213980010000000, 0.750000000000000, 0.808258750000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.286019990000000, 0.250000000000000, 0.308258750000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.713980010000000, 0.750000000000000, 0.691741250000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.098040315083455, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.307576127198378, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.080917366528252 ] # c*unit_cell: lattice: - [ 10.199885620000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.251227620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.358286520000000 ] # c points: - symbol: Tl # 1 coordinates: [ 0.632791820000000, 0.750000000000000, 0.103577520000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 2 coordinates: [ 0.367208180000000, 0.250000000000000, 0.896422480000000 ] mass: 204.383300 reduced_to: 2 - symbol: Tl # 3 coordinates: [ 0.132791820000000, 0.750000000000000, 0.396422480000000 ] mass: 204.383300 reduced_to: 3 - symbol: Tl # 4 coordinates: [ 0.867208180000000, 0.250000000000000, 0.603577520000000 ] mass: 204.383300 reduced_to: 4 - symbol: Tl # 5 coordinates: [ 0.791586510000000, 0.750000000000000, 0.349203410000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.208413490000000, 0.250000000000000, 0.650796590000000 ] mass: 204.383300 reduced_to: 6 - symbol: Tl # 7 coordinates: [ 0.291586510000000, 0.750000000000000, 0.150796590000000 ] mass: 204.383300 reduced_to: 7 - symbol: Tl # 8 coordinates: [ 0.708413490000000, 0.250000000000000, 0.849203410000000 ] mass: 204.383300 reduced_to: 8 - symbol: Sn # 9 coordinates: [ 0.959614840000000, 0.250000000000000, 0.111406890000000 ] mass: 118.710000 reduced_to: 9 - symbol: Sn # 10 coordinates: [ 0.040385160000000, 0.750000000000000, 0.888593110000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 11 coordinates: [ 0.459614840000000, 0.250000000000000, 0.388593110000000 ] mass: 118.710000 reduced_to: 11 - symbol: Sn # 12 coordinates: [ 0.540385160000000, 0.750000000000000, 0.611406890000000 ] mass: 118.710000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.892170830000000, 0.750000000000000, 0.009126030000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.107829170000000, 0.250000000000000, 0.990873970000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.392170830000000, 0.750000000000000, 0.490873970000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.607829170000000, 0.250000000000000, 0.509126030000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.542645430000000, 0.750000000000000, 0.306683190000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.457354570000000, 0.250000000000000, 0.693316810000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.042645430000000, 0.750000000000000, 0.193316810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.957354570000000, 0.250000000000000, 0.806683190000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.786019990000000, 0.250000000000000, 0.191741250000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.213980010000000, 0.750000000000000, 0.808258750000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.286019990000000, 0.250000000000000, 0.308258750000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.713980010000000, 0.750000000000000, 0.691741250000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 10.199885620000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.004910479999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.358286520000000 ] # c points: - symbol: Tl # 1 coordinates: [ 0.632791820000000, 0.187500000000000, 0.103577520000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 2 coordinates: [ 0.632791820000000, 0.437500000000000, 0.103577520000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 3 coordinates: [ 0.632791820000000, 0.687500000000000, 0.103577520000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 4 coordinates: [ 0.632791820000000, 0.937500000000000, 0.103577520000000 ] mass: 204.383300 reduced_to: 1 - symbol: Tl # 5 coordinates: [ 0.367208180000000, 0.062500000000000, 0.896422480000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.367208180000000, 0.312500000000000, 0.896422480000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 7 coordinates: [ 0.367208180000000, 0.562500000000000, 0.896422480000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 8 coordinates: [ 0.367208180000000, 0.812500000000000, 0.896422480000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 9 coordinates: [ 0.132791820000000, 0.187500000000000, 0.396422480000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 10 coordinates: [ 0.132791820000000, 0.437500000000000, 0.396422480000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 11 coordinates: [ 0.132791820000000, 0.687500000000000, 0.396422480000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 12 coordinates: [ 0.132791820000000, 0.937500000000000, 0.396422480000000 ] mass: 204.383300 reduced_to: 9 - symbol: Tl # 13 coordinates: [ 0.867208180000000, 0.062500000000000, 0.603577520000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 14 coordinates: [ 0.867208180000000, 0.312500000000000, 0.603577520000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 15 coordinates: [ 0.867208180000000, 0.562500000000000, 0.603577520000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 16 coordinates: [ 0.867208180000000, 0.812500000000000, 0.603577520000000 ] mass: 204.383300 reduced_to: 13 - symbol: Tl # 17 coordinates: [ 0.791586510000000, 0.187500000000000, 0.349203410000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 18 coordinates: [ 0.791586510000000, 0.437500000000000, 0.349203410000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 19 coordinates: [ 0.791586510000000, 0.687500000000000, 0.349203410000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 20 coordinates: [ 0.791586510000000, 0.937500000000000, 0.349203410000000 ] mass: 204.383300 reduced_to: 17 - symbol: Tl # 21 coordinates: [ 0.208413490000000, 0.062500000000000, 0.650796590000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 22 coordinates: [ 0.208413490000000, 0.312500000000000, 0.650796590000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 23 coordinates: [ 0.208413490000000, 0.562500000000000, 0.650796590000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 24 coordinates: [ 0.208413490000000, 0.812500000000000, 0.650796590000000 ] mass: 204.383300 reduced_to: 21 - symbol: Tl # 25 coordinates: [ 0.291586510000000, 0.187500000000000, 0.150796590000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 26 coordinates: [ 0.291586510000000, 0.437500000000000, 0.150796590000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 27 coordinates: [ 0.291586510000000, 0.687500000000000, 0.150796590000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 28 coordinates: [ 0.291586510000000, 0.937500000000000, 0.150796590000000 ] mass: 204.383300 reduced_to: 25 - symbol: Tl # 29 coordinates: [ 0.708413490000000, 0.062500000000000, 0.849203410000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 30 coordinates: [ 0.708413490000000, 0.312500000000000, 0.849203410000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 31 coordinates: [ 0.708413490000000, 0.562500000000000, 0.849203410000000 ] mass: 204.383300 reduced_to: 29 - symbol: Tl # 32 coordinates: [ 0.708413490000000, 0.812500000000000, 0.849203410000000 ] mass: 204.383300 reduced_to: 29 - symbol: Sn # 33 coordinates: [ 0.959614840000000, 0.062500000000000, 0.111406890000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 34 coordinates: [ 0.959614840000000, 0.312500000000000, 0.111406890000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 35 coordinates: [ 0.959614840000000, 0.562500000000000, 0.111406890000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 36 coordinates: [ 0.959614840000000, 0.812500000000000, 0.111406890000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 37 coordinates: [ 0.040385160000000, 0.187500000000000, 0.888593110000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.040385160000000, 0.437500000000000, 0.888593110000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 39 coordinates: [ 0.040385160000000, 0.687500000000000, 0.888593110000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 40 coordinates: [ 0.040385160000000, 0.937500000000000, 0.888593110000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 41 coordinates: [ 0.459614840000000, 0.062500000000000, 0.388593110000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 42 coordinates: [ 0.459614840000000, 0.312500000000000, 0.388593110000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 43 coordinates: [ 0.459614840000000, 0.562500000000000, 0.388593110000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 44 coordinates: [ 0.459614840000000, 0.812500000000000, 0.388593110000000 ] mass: 118.710000 reduced_to: 41 - symbol: Sn # 45 coordinates: [ 0.540385160000000, 0.187500000000000, 0.611406890000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 46 coordinates: [ 0.540385160000000, 0.437500000000000, 0.611406890000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 47 coordinates: [ 0.540385160000000, 0.687500000000000, 0.611406890000000 ] mass: 118.710000 reduced_to: 45 - symbol: Sn # 48 coordinates: [ 0.540385160000000, 0.937500000000000, 0.611406890000000 ] mass: 118.710000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.892170830000000, 0.187500000000000, 0.009126030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.892170830000000, 0.437500000000000, 0.009126030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.892170830000000, 0.687500000000000, 0.009126030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.892170830000000, 0.937500000000000, 0.009126030000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.107829170000000, 0.062500000000000, 0.990873970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.107829170000000, 0.312500000000000, 0.990873970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.107829170000000, 0.562500000000000, 0.990873970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.107829170000000, 0.812500000000000, 0.990873970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.392170830000000, 0.187500000000000, 0.490873970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.392170830000000, 0.437500000000000, 0.490873970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.392170830000000, 0.687500000000000, 0.490873970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.392170830000000, 0.937500000000000, 0.490873970000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.607829170000000, 0.062500000000000, 0.509126030000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.607829170000000, 0.312500000000000, 0.509126030000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.607829170000000, 0.562500000000000, 0.509126030000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.607829170000000, 0.812500000000000, 0.509126030000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.542645430000000, 0.187500000000000, 0.306683190000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.542645430000000, 0.437500000000000, 0.306683190000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.542645430000000, 0.687500000000000, 0.306683190000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.542645430000000, 0.937500000000000, 0.306683190000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.457354570000000, 0.062500000000000, 0.693316810000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.457354570000000, 0.312500000000000, 0.693316810000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.457354570000000, 0.562500000000000, 0.693316810000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.457354570000000, 0.812500000000000, 0.693316810000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.042645430000000, 0.187500000000000, 0.193316810000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.042645430000000, 0.437500000000000, 0.193316810000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.042645430000000, 0.687500000000000, 0.193316810000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.042645430000000, 0.937500000000000, 0.193316810000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.957354570000000, 0.062500000000000, 0.806683190000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.957354570000000, 0.312500000000000, 0.806683190000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.957354570000000, 0.562500000000000, 0.806683190000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.957354570000000, 0.812500000000000, 0.806683190000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.786019990000000, 0.062500000000000, 0.191741250000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.786019990000000, 0.312500000000000, 0.191741250000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.786019990000000, 0.562500000000000, 0.191741250000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.786019990000000, 0.812500000000000, 0.191741250000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.213980010000000, 0.187500000000000, 0.808258750000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.213980010000000, 0.437500000000000, 0.808258750000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.213980010000000, 0.687500000000000, 0.808258750000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.213980010000000, 0.937500000000000, 0.808258750000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.286019990000000, 0.062500000000000, 0.308258750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.286019990000000, 0.312500000000000, 0.308258750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.286019990000000, 0.562500000000000, 0.308258750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.286019990000000, 0.812500000000000, 0.308258750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.713980010000000, 0.187500000000000, 0.691741250000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.713980010000000, 0.437500000000000, 0.691741250000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.713980010000000, 0.687500000000000, 0.691741250000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.713980010000000, 0.937500000000000, 0.691741250000000 ] mass: 15.999400 reduced_to: 93born_effective_charge:- # 1 (Tl) - [ 2.042483160000000, 0.000000000000000, 0.188528720000000 ] - [ 0.000000000000000, 1.588886350000000, 0.000000000000000 ] - [ 0.398616320000000, 0.000000000000000, 2.200175190000000 ]- # 2 (Tl) - [ 2.042483160000000, 0.000000000000000, 0.188528720000000 ] - [ 0.000000000000000, 1.588886350000000, 0.000000000000000 ] - [ 0.398616320000000, 0.000000000000000, 2.200175190000000 ]- # 3 (Tl) - [ 2.042483160000000, 0.000000000000000, -0.188528720000000 ] - [ 0.000000000000000, 1.588886350000000, 0.000000000000000 ] - [ -0.398616320000000, 0.000000000000000, 2.200175190000000 ]- # 4 (Tl) - [ 2.042483160000000, 0.000000000000000, -0.188528720000000 ] - [ 0.000000000000000, 1.588886350000000, 0.000000000000000 ] - [ -0.398616320000000, 0.000000000000000, 2.200175190000000 ]- # 5 (Tl) - [ 1.842329860000000, 0.000000000000000, 0.008514990000000 ] - [ 0.000000000000000, 1.579879840000000, 0.000000000000000 ] - [ -0.156606390000000, 0.000000000000000, 2.404068600000000 ]- # 6 (Tl) - [ 1.842329860000000, 0.000000000000000, 0.008514990000000 ] - [ 0.000000000000000, 1.579879840000000, 0.000000000000000 ] - [ -0.156606390000000, 0.000000000000000, 2.404068600000000 ]- # 7 (Tl) - [ 1.842329860000000, 0.000000000000000, -0.008514990000000 ] - [ 0.000000000000000, 1.579879840000000, 0.000000000000000 ] - [ 0.156606390000000, 0.000000000000000, 2.404068600000000 ]- # 8 (Tl) - [ 1.842329860000000, 0.000000000000000, -0.008514990000000 ] - [ 0.000000000000000, 1.579879840000000, 0.000000000000000 ] - [ 0.156606390000000, 0.000000000000000, 2.404068600000000 ]- # 9 (Sn) - [ 3.881293630000000, 0.000000000000000, -0.239360240000000 ] - [ 0.000000000000000, 4.489790380000000, 0.000000000000000 ] - [ -0.353642510000000, 0.000000000000000, 3.727176220000000 ]- # 10 (Sn) - [ 3.881293630000000, 0.000000000000000, -0.239360240000000 ] - [ 0.000000000000000, 4.489790380000000, 0.000000000000000 ] - [ -0.353642510000000, 0.000000000000000, 3.727176220000000 ]- # 11 (Sn) - [ 3.881293630000000, 0.000000000000000, 0.239360240000000 ] - [ 0.000000000000000, 4.489790380000000, 0.000000000000000 ] - [ 0.353642510000000, 0.000000000000000, 3.727176220000000 ]- # 12 (Sn) - [ 3.881293630000000, 0.000000000000000, 0.239360240000000 ] - [ 0.000000000000000, 4.489790380000000, 0.000000000000000 ] - [ 0.353642510000000, 0.000000000000000, 3.727176220000000 ]- # 13 (O) - [ -2.277980040000000, 0.000000000000000, 0.052539290000000 ] - [ 0.000000000000000, -2.503796920000000, 0.000000000000000 ] - [ 0.135666980000000, 0.000000000000000, -2.700649170000000 ]- # 14 (O) - [ -2.277980040000000, 0.000000000000000, 0.052539290000000 ] - [ 0.000000000000000, -2.503796920000000, 0.000000000000000 ] - [ 0.135666980000000, 0.000000000000000, -2.700649170000000 ]- # 15 (O) - [ -2.277980040000000, 0.000000000000000, -0.052539290000000 ] - [ 0.000000000000000, -2.503796920000000, 0.000000000000000 ] - [ -0.135666980000000, 0.000000000000000, -2.700649170000000 ]- # 16 (O) - [ -2.277980040000000, 0.000000000000000, -0.052539290000000 ] - [ 0.000000000000000, -2.503796920000000, 0.000000000000000 ] - [ -0.135666980000000, 0.000000000000000, -2.700649170000000 ]- # 17 (O) - [ -2.913043820000000, 0.000000000000000, 0.354322650000000 ] - [ 0.000000000000000, -2.054434460000000, 0.000000000000000 ] - [ 0.292021850000000, 0.000000000000000, -2.560568540000000 ]- # 18 (O) - [ -2.913043820000000, 0.000000000000000, 0.354322650000000 ] - [ 0.000000000000000, -2.054434460000000, 0.000000000000000 ] - [ 0.292021850000000, 0.000000000000000, -2.560568540000000 ]- # 19 (O) - [ -2.913043820000000, 0.000000000000000, -0.354322650000000 ] - [ 0.000000000000000, -2.054434460000000, 0.000000000000000 ] - [ -0.292021850000000, 0.000000000000000, -2.560568540000000 ]- # 20 (O) - [ -2.913043820000000, 0.000000000000000, -0.354322650000000 ] - [ 0.000000000000000, -2.054434460000000, 0.000000000000000 ] - [ -0.292021850000000, 0.000000000000000, -2.560568540000000 ]- # 21 (O) - [ -2.575082780000000, 0.000000000000000, -0.350166750000000 ] - [ 0.000000000000000, -3.100325200000000, 0.000000000000000 ] - [ -0.463383090000000, 0.000000000000000, -3.070202290000000 ]- # 22 (O) - [ -2.575082780000000, 0.000000000000000, -0.350166750000000 ] - [ 0.000000000000000, -3.100325200000000, 0.000000000000000 ] - [ -0.463383090000000, 0.000000000000000, -3.070202290000000 ]- # 23 (O) - [ -2.575082780000000, 0.000000000000000, 0.350166750000000 ] - [ 0.000000000000000, -3.100325200000000, 0.000000000000000 ] - [ 0.463383090000000, 0.000000000000000, -3.070202290000000 ]- # 24 (O) - [ -2.575082780000000, 0.000000000000000, 0.350166750000000 ] - [ 0.000000000000000, -3.100325200000000, 0.000000000000000 ] - [ 0.463383090000000, 0.000000000000000, -3.070202290000000 ]dielectric_constant: - [ 6.710108370000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 9.125775150000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 7.457750350000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0347129100000000, 0.0000000000000000, -0.0051015500000000 ] - [ -0.0046424000000000, 0.0019189700000000, 0.0057575900000000 ] - [ 0.0003312100000000, 0.0000000000000000, 0.0078400400000000 ] - [ -0.0046424000000000, -0.0019189700000000, 0.0057575900000000 ] - [ 0.0010104300000000, 0.0004129400000000, -0.0069969900000000 ] - [ 0.0010104300000000, -0.0004129400000000, -0.0069969900000000 ] - [ -0.0003975500000000, -0.0000375700000000, -0.0079817700000000 ] - [ -0.0003975500000000, 0.0000375700000000, -0.0079817700000000 ] - [ 0.0017589100000000, 0.0000000000000000, -0.0078503000000000 ] - [ 0.0013086200000000, -0.0001357000000000, -0.0079719600000000 ] - [ 0.0008577900000000, 0.0000000000000000, -0.0080087700000000 ] - [ 0.0013086200000000, 0.0001357000000000, -0.0079719600000000 ] - [ -0.0010829100000000, -0.0000012000000000, 0.0083049900000000 ] - [ -0.0010829100000000, 0.0000012000000000, 0.0083049900000000 ] - [ -0.0009718700000000, -0.0000166300000000, 0.0083377800000000 ] - [ -0.0009718700000000, 0.0000166300000000, 0.0083377800000000 ] - [ -0.0020739800000000, 0.0000000000000000, 0.0021480500000000 ] - [ -0.0019430600000000, 0.0016849100000000, -0.0058392000000000 ] - [ -0.0013405900000000, 0.0000000000000000, -0.0080944000000000 ] - [ -0.0019430600000000, -0.0016849100000000, -0.0058392000000000 ] - [ 0.0015370100000000, 0.0000359900000000, 0.0077536300000000 ] - [ 0.0015370100000000, -0.0000359900000000, 0.0077536300000000 ] - [ 0.0013008500000000, -0.0000360700000000, 0.0078123700000000 ] - [ 0.0013008500000000, 0.0000360700000000, 0.0078123700000000 ] - [ 0.0070696600000000, 0.0000000000000000, 0.0060294300000000 ] - [ -0.0003223800000000, -0.0004386600000000, 0.0077376100000000 ] - [ -0.0010485000000000, 0.0000000000000000, 0.0077539000000000 ] - [ -0.0003223800000000, 0.0004386600000000, 0.0077376100000000 ] - [ -0.0001892100000000, -0.0007722000000000, -0.0088754800000000 ] - [ -0.0001892100000000, 0.0007722000000000, -0.0088754800000000 ] - [ 0.0009588900000000, 0.0000633900000000, -0.0077177100000000 ] - [ 0.0009588900000000, -0.0000633900000000, -0.0077177100000000 ] - [ 0.0160223200000000, -0.0070574100000000, 0.0014321100000000 ] - [ 0.0160223200000000, 0.0070574100000000, 0.0014321100000000 ] - [ 0.0041488400000000, 0.0012869700000000, 0.0012847500000000 ] - [ 0.0041488400000000, -0.0012869700000000, 0.0012847500000000 ] - [ 0.0005098600000000, 0.0000000000000000, -0.0059384300000000 ] - [ -0.0030676300000000, 0.0007709300000000, -0.0021776500000000 ] - [ -0.0037716400000000, 0.0000000000000000, -0.0013218100000000 ] - [ -0.0030676300000000, -0.0007709300000000, -0.0021776500000000 ] - [ 0.0053130200000000, 0.0036421900000000, -0.0035242000000000 ] - [ 0.0053130200000000, -0.0036421900000000, -0.0035242000000000 ] - [ 0.0039443000000000, -0.0003036000000000, -0.0011953300000000 ] - [ 0.0039443000000000, 0.0003036000000000, -0.0011953300000000 ] - [ -0.0047782700000000, 0.0000000000000000, 0.0003847700000000 ] - [ -0.0042373400000000, -0.0005261800000000, 0.0010423900000000 ] - [ -0.0042734700000000, 0.0000000000000000, 0.0011534500000000 ] - [ -0.0042373400000000, 0.0005261800000000, 0.0010423900000000 ] - [ -0.0038727600000000, 0.0000000000000000, 0.0023223200000000 ] - [ -0.0019131900000000, -0.0017690300000000, -0.0001055800000000 ] - [ -0.0016115000000000, 0.0000000000000000, -0.0010071800000000 ] - [ -0.0019131900000000, 0.0017690300000000, -0.0001055800000000 ] - [ -0.0005908000000000, 0.0013724700000000, 0.0015298600000000 ] - [ -0.0005908000000000, -0.0013724700000000, 0.0015298600000000 ] - [ 0.0012154100000000, -0.0003300500000000, 0.0012538600000000 ] - [ 0.0012154100000000, 0.0003300500000000, 0.0012538600000000 ] - [ -0.0026738500000000, 0.0000000000000000, 0.0026148000000000 ] - [ -0.0017572000000000, 0.0002829000000000, 0.0011133600000000 ] - [ -0.0016266100000000, 0.0000000000000000, 0.0010854400000000 ] - [ -0.0017572000000000, -0.0002829000000000, 0.0011133600000000 ] - [ 0.0024983100000000, -0.0005091600000000, -0.0004039100000000 ] - [ 0.0024983100000000, 0.0005091600000000, -0.0004039100000000 ] - [ 0.0021053800000000, -0.0000384200000000, -0.0012561900000000 ] - [ 0.0021053800000000, 0.0000384200000000, -0.0012561900000000 ] - [ 0.0007328500000000, 0.0000000000000000, 0.0035367000000000 ] - [ 0.0006483100000000, 0.0007724200000000, 0.0013051800000000 ] - [ 0.0002289500000000, 0.0000000000000000, 0.0012514000000000 ] - [ 0.0006483100000000, -0.0007724200000000, 0.0013051800000000 ] - [ -0.0000147500000000, -0.0000825500000000, -0.0014795600000000 ] - [ -0.0000147500000000, 0.0000825500000000, -0.0014795600000000 ] - [ -0.0000375100000000, 0.0000956900000000, -0.0013404400000000 ] - [ -0.0000375100000000, -0.0000956900000000, -0.0013404400000000 ] - [ -0.0046507100000000, 0.0000000000000000, -0.0026599600000000 ] - [ -0.0013225000000000, -0.0013008000000000, -0.0015576100000000 ] - [ 0.0000528600000000, 0.0000000000000000, -0.0012725500000000 ] - [ -0.0013225000000000, 0.0013008000000000, -0.0015576100000000 ] - [ 0.0003156900000000, 0.0008995500000000, 0.0020725100000000 ] - [ 0.0003156900000000, -0.0008995500000000, 0.0020725100000000 ] - [ -0.0001721500000000, -0.0001788900000000, 0.0012550500000000 ] - [ -0.0001721500000000, 0.0001788900000000, 0.0012550500000000 ] - [ 0.0031220100000000, -0.0026778000000000, 0.0036212100000000 ] - [ 0.0031220100000000, 0.0026778000000000, 0.0036212100000000 ] - [ -0.0044231200000000, -0.0001178200000000, 0.0028006500000000 ] - [ -0.0044231200000000, 0.0001178200000000, 0.0028006500000000 ] - [ 0.0047982300000000, 0.0000000000000000, -0.0017777300000000 ] - [ 0.0047424700000000, 0.0003861400000000, -0.0018815400000000 ] - [ 0.0053340600000000, 0.0000000000000000, -0.0018347100000000 ] - [ 0.0047424700000000, -0.0003861400000000, -0.0018815400000000 ] - [ -0.0070174100000000, -0.0007955300000000, -0.0011106100000000 ] - [ -0.0070174100000000, 0.0007955300000000, -0.0011106100000000 ] - [ -0.0059629200000000, 0.0001024900000000, -0.0015816700000000 ] - [ -0.0059629200000000, -0.0001024900000000, -0.0015816700000000 ] - [ 0.0060952500000000, 0.0000000000000000, 0.0017021900000000 ] - [ 0.0061402000000000, 0.0002796000000000, 0.0013924700000000 ] - [ 0.0061328300000000, 0.0000000000000000, 0.0014249800000000 ] - [ 0.0061402000000000, -0.0002796000000000, 0.0013924700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0354088700000000, 0.0000000000000000, 0.0207192200000000 ] - [ 0.0060289300000000, -0.0019879300000000, 0.0103743300000000 ] - [ 0.0010656600000000, 0.0000000000000000, 0.0082978700000000 ] - [ 0.0060289300000000, 0.0019879300000000, 0.0103743300000000 ] - [ -0.0024161000000000, -0.0004199700000000, -0.0091634700000000 ] - [ -0.0024161000000000, 0.0004199700000000, -0.0091634700000000 ] - [ -0.0010013300000000, 0.0000387500000000, -0.0081614600000000 ] - [ -0.0010013300000000, -0.0000387500000000, -0.0081614600000000 ] - [ -0.0003565000000000, 0.0000000000000000, -0.0082809600000000 ] - [ 0.0000899900000000, 0.0001380400000000, -0.0081689200000000 ] - [ 0.0005420800000000, 0.0000000000000000, -0.0081333300000000 ] - [ 0.0000899900000000, -0.0001380400000000, -0.0081689200000000 ] - [ -0.0003242100000000, 0.0000008400000000, 0.0078391300000000 ] - [ -0.0003242100000000, -0.0000008400000000, 0.0078391300000000 ] - [ -0.0004340300000000, 0.0000149500000000, 0.0078045500000000 ] - [ -0.0004340300000000, -0.0000149500000000, 0.0078045500000000 ] - [ -0.0004488100000000, 0.0000000000000000, -0.0176007700000000 ] - [ -0.0005454300000000, -0.0016817300000000, -0.0096635700000000 ] - [ -0.0011487800000000, 0.0000000000000000, -0.0074099800000000 ] - [ -0.0005454300000000, 0.0016817300000000, -0.0096635700000000 ] - [ 0.0009536400000000, -0.0000359500000000, 0.0077460700000000 ] - [ 0.0009536400000000, 0.0000359500000000, 0.0077460700000000 ] - [ 0.0011901200000000, 0.0000373000000000, 0.0076896100000000 ] - [ 0.0011901200000000, -0.0000373000000000, 0.0076896100000000 ] - [ -0.0097200300000000, 0.0000000000000000, 0.0095344000000000 ] - [ -0.0021700100000000, 0.0004466000000000, 0.0077717700000000 ] - [ -0.0014410500000000, 0.0000000000000000, 0.0077520200000000 ] - [ -0.0021700100000000, -0.0004466000000000, 0.0077717700000000 ] - [ 0.0026557500000000, 0.0007730600000000, -0.0066131900000000 ] - [ 0.0026557500000000, -0.0007730600000000, -0.0066131900000000 ] - [ 0.0015274700000000, -0.0000641300000000, -0.0077844500000000 ] - [ 0.0015274700000000, 0.0000641300000000, -0.0077844500000000 ] - [ -0.0077901100000000, 0.0069161000000000, 0.0006280800000000 ] - [ -0.0077901100000000, -0.0069161000000000, 0.0006280800000000 ] - [ 0.0039571900000000, -0.0012809400000000, 0.0007437400000000 ] - [ 0.0039571900000000, 0.0012809400000000, 0.0007437400000000 ] - [ -0.0085851200000000, 0.0000000000000000, 0.0038588500000000 ] - [ -0.0050545400000000, -0.0007587900000000, 0.0001465000000000 ] - [ -0.0043465800000000, 0.0000000000000000, -0.0007009300000000 ] - [ -0.0050545400000000, 0.0007587900000000, 0.0001465000000000 ] - [ 0.0028176300000000, -0.0036319900000000, 0.0015097500000000 ] - [ 0.0028176300000000, 0.0036319900000000, 0.0015097500000000 ] - [ 0.0041753700000000, 0.0003036000000000, -0.0008253900000000 ] - [ 0.0041753700000000, -0.0003036000000000, -0.0008253900000000 ] - [ -0.0033243200000000, 0.0000000000000000, 0.0016349700000000 ] - [ -0.0038622400000000, 0.0005276700000000, 0.0009808500000000 ] - [ -0.0038320800000000, 0.0000000000000000, 0.0008687700000000 ] - [ -0.0038622400000000, -0.0005276700000000, 0.0009808500000000 ] - [ 0.0005547100000000, 0.0000000000000000, -0.0044617400000000 ] - [ -0.0015348300000000, 0.0017547400000000, -0.0020047900000000 ] - [ -0.0018355100000000, 0.0000000000000000, -0.0011034600000000 ] - [ -0.0015348300000000, -0.0017547400000000, -0.0020047900000000 ] - [ 0.0040361600000000, -0.0013565700000000, 0.0005918600000000 ] - [ 0.0040361600000000, 0.0013565700000000, 0.0005918600000000 ] - [ 0.0022378900000000, 0.0003259800000000, 0.0008575400000000 ] - [ 0.0022378900000000, -0.0003259800000000, 0.0008575400000000 ] - [ -0.0007891200000000, 0.0000000000000000, -0.0004917200000000 ] - [ -0.0016989200000000, -0.0002840600000000, 0.0009968100000000 ] - [ -0.0018285000000000, 0.0000000000000000, 0.0010249400000000 ] - [ -0.0016989200000000, 0.0002840600000000, 0.0009968100000000 ] - [ 0.0009524200000000, 0.0005084800000000, -0.0017044500000000 ] - [ 0.0009524200000000, -0.0005084800000000, -0.0017044500000000 ] - [ 0.0013430500000000, 0.0000399100000000, -0.0008559000000000 ] - [ 0.0013430500000000, -0.0000399100000000, -0.0008559000000000 ] - [ -0.0005761400000000, 0.0000000000000000, -0.0011054500000000 ] - [ -0.0004661900000000, -0.0007706500000000, 0.0010827000000000 ] - [ -0.0000450500000000, 0.0000000000000000, 0.0011343200000000 ] - [ -0.0004661900000000, 0.0007706500000000, 0.0010827000000000 ] - [ -0.0001809500000000, 0.0000821000000000, -0.0008964500000000 ] - [ -0.0001809500000000, -0.0000821000000000, -0.0008964500000000 ] - [ -0.0001534900000000, -0.0000957600000000, -0.0010417400000000 ] - [ -0.0001534900000000, 0.0000957600000000, -0.0010417400000000 ] - [ 0.0048393500000000, 0.0000000000000000, 0.0002588900000000 ] - [ 0.0015167800000000, 0.0012988100000000, -0.0008304500000000 ] - [ 0.0001369300000000, 0.0000000000000000, -0.0011112900000000 ] - [ 0.0015167800000000, -0.0012988100000000, -0.0008304500000000 ] - [ -0.0004865300000000, -0.0008898100000000, 0.0003242500000000 ] - [ -0.0004865300000000, 0.0008898100000000, 0.0003242500000000 ] - [ -0.0000086400000000, 0.0001760900000000, 0.0011319600000000 ] - [ -0.0000086400000000, -0.0001760900000000, 0.0011319600000000 ] - [ -0.0144461300000000, 0.0024026900000000, 0.0001132100000000 ] - [ -0.0144461300000000, -0.0024026900000000, 0.0001132100000000 ] - [ -0.0071668900000000, 0.0001184800000000, 0.0007519600000000 ] - [ -0.0071668900000000, -0.0001184800000000, 0.0007519600000000 ] - [ 0.0068066500000000, 0.0000000000000000, -0.0017641500000000 ] - [ 0.0068650000000000, -0.0003944300000000, -0.0016607400000000 ] - [ 0.0062694300000000, 0.0000000000000000, -0.0017120800000000 ] - [ 0.0068650000000000, 0.0003944300000000, -0.0016607400000000 ] - [ -0.0045882900000000, 0.0008045900000000, -0.0024551600000000 ] - [ -0.0045882900000000, -0.0008045900000000, -0.0024551600000000 ] - [ -0.0056396800000000, -0.0001052500000000, -0.0019723900000000 ] - [ -0.0056396800000000, 0.0001052500000000, -0.0019723900000000 ] - [ 0.0055048900000000, 0.0000000000000000, 0.0018338200000000 ] - [ 0.0054613100000000, -0.0002675500000000, 0.0021378100000000 ] - [ 0.0054686100000000, 0.0000000000000000, 0.0021178400000000 ] - [ 0.0054613100000000, 0.0002675500000000, 0.0021378100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003656000000000, -0.0428312500000000, 0.0078777600000000 ] - [ -0.0012660300000000, 0.0153088200000000, 0.0068207400000000 ] - [ 0.0006982700000000, 0.0004858800000000, 0.0080694200000000 ] - [ 0.0026414500000000, 0.0149033900000000, 0.0093107300000000 ] - [ -0.0002830000000000, -0.0000243200000000, -0.0074793100000000 ] - [ -0.0011159200000000, -0.0000274400000000, -0.0086611300000000 ] - [ -0.0007374400000000, 0.0002210000000000, -0.0081996000000000 ] - [ -0.0006610000000000, 0.0002201000000000, -0.0079421500000000 ] - [ 0.0007014300000000, -0.0002746200000000, -0.0080715800000000 ] - [ 0.0008376100000000, 0.0000060800000000, -0.0077549000000000 ] - [ 0.0006996700000000, 0.0002676100000000, -0.0080698700000000 ] - [ 0.0005637100000000, 0.0000081300000000, -0.0083858900000000 ] - [ -0.0007008300000000, -0.0001628000000000, 0.0081185200000000 ] - [ -0.0006986700000000, -0.0001617800000000, 0.0080220400000000 ] - [ -0.0007160500000000, 0.0001639200000000, 0.0081719000000000 ] - [ -0.0006845100000000, 0.0001639800000000, 0.0079691600000000 ] - [ -0.0012577500000000, -0.0047059700000000, -0.0077646600000000 ] - [ -0.0010669400000000, 0.0015474700000000, -0.0053720600000000 ] - [ -0.0012440400000000, 0.0008200500000000, -0.0077480500000000 ] - [ -0.0014145800000000, 0.0015425000000000, -0.0101222200000000 ] - [ 0.0012763400000000, -0.0001202400000000, 0.0077666000000000 ] - [ 0.0012142400000000, -0.0001205500000000, 0.0077358400000000 ] - [ 0.0012401900000000, 0.0001115900000000, 0.0077551500000000 ] - [ 0.0012492100000000, 0.0001120800000000, 0.0077486700000000 ] - [ -0.0012270100000000, -0.0010824700000000, 0.0077449200000000 ] - [ -0.0013587000000000, 0.0001269200000000, 0.0079858200000000 ] - [ -0.0012444400000000, 0.0003952600000000, 0.0077516100000000 ] - [ -0.0011326100000000, 0.0001301700000000, 0.0075203800000000 ] - [ 0.0007154500000000, 0.0002733600000000, -0.0054076700000000 ] - [ 0.0017776200000000, 0.0002715500000000, -0.0101141400000000 ] - [ 0.0011871100000000, 0.0003078400000000, -0.0079361500000000 ] - [ 0.0013003200000000, 0.0003048200000000, -0.0075663000000000 ] - [ -0.0038688300000000, -0.0010520500000000, 0.0034945600000000 ] - [ 0.0120189900000000, -0.0010680500000000, -0.0014701900000000 ] - [ 0.0045625700000000, 0.0017668900000000, 0.0007315900000000 ] - [ 0.0035534600000000, 0.0017639800000000, 0.0012907400000000 ] - [ -0.0040554300000000, -0.0008694300000000, -0.0010076700000000 ] - [ -0.0033960300000000, -0.0000165300000000, -0.0017802200000000 ] - [ -0.0040544000000000, 0.0009316600000000, -0.0010130800000000 ] - [ -0.0047069300000000, -0.0000144300000000, -0.0002478600000000 ] - [ 0.0046153100000000, -0.0011122800000000, -0.0023450000000000 ] - [ 0.0034957100000000, -0.0011452800000000, 0.0003195000000000 ] - [ 0.0036833800000000, 0.0010828500000000, -0.0006049500000000 ] - [ 0.0044234800000000, 0.0010785400000000, -0.0014119400000000 ] - [ -0.0040600800000000, -0.0005114400000000, 0.0010071800000000 ] - [ -0.0040971700000000, -0.0000924000000000, 0.0011709700000000 ] - [ -0.0040553300000000, 0.0006705100000000, 0.0010116500000000 ] - [ -0.0040141100000000, -0.0000899900000000, 0.0008513400000000 ] - [ -0.0017357200000000, 0.0030554800000000, -0.0010510800000000 ] - [ -0.0026521400000000, -0.0009717200000000, 0.0002243300000000 ] - [ -0.0017263300000000, -0.0006981400000000, -0.0010538600000000 ] - [ -0.0008111200000000, -0.0009675500000000, -0.0023273100000000 ] - [ 0.0015975000000000, 0.0006290200000000, 0.0009502500000000 ] - [ 0.0018536900000000, 0.0006358900000000, 0.0011576100000000 ] - [ 0.0014828100000000, -0.0006265600000000, 0.0012578500000000 ] - [ 0.0019670600000000, -0.0006246700000000, 0.0008553800000000 ] - [ -0.0017288700000000, 0.0001298100000000, 0.0010624200000000 ] - [ -0.0016244500000000, 0.0000699400000000, 0.0006613000000000 ] - [ -0.0017258300000000, -0.0003561300000000, 0.0010548400000000 ] - [ -0.0018254600000000, 0.0000674600000000, 0.0014468300000000 ] - [ 0.0018360900000000, 0.0005169100000000, -0.0010432100000000 ] - [ 0.0016200800000000, 0.0005206100000000, -0.0010635400000000 ] - [ 0.0018611400000000, -0.0004801700000000, -0.0013559200000000 ] - [ 0.0015906300000000, -0.0004807400000000, -0.0007568300000000 ] - [ 0.0000954900000000, 0.0033826400000000, 0.0011874200000000 ] - [ 0.0007064300000000, -0.0004456600000000, 0.0000483500000000 ] - [ 0.0000933100000000, -0.0005591200000000, 0.0011914900000000 ] - [ -0.0005137900000000, -0.0004447900000000, 0.0023228600000000 ] - [ -0.0001137000000000, 0.0000935500000000, -0.0013261400000000 ] - [ -0.0000711000000000, 0.0000936000000000, -0.0010596000000000 ] - [ -0.0000918700000000, -0.0001334800000000, -0.0012278000000000 ] - [ -0.0000942700000000, -0.0001335000000000, -0.0011577500000000 ] - [ 0.0000810500000000, 0.0026600100000000, -0.0011912700000000 ] - [ -0.0009128300000000, -0.0010818700000000, -0.0014547100000000 ] - [ 0.0000922800000000, -0.0008621400000000, -0.0011925100000000 ] - [ 0.0011024700000000, -0.0010845000000000, -0.0009326000000000 ] - [ 0.0002055600000000, 0.0003281700000000, 0.0010325300000000 ] - [ -0.0003956400000000, 0.0003290700000000, 0.0013519400000000 ] - [ -0.0001668200000000, -0.0003375500000000, 0.0013087400000000 ] - [ -0.0000197200000000, -0.0003366900000000, 0.0010774800000000 ] - [ -0.0117860900000000, 0.0060585200000000, -0.0023808300000000 ] - [ 0.0005141100000000, 0.0062770600000000, 0.0061567300000000 ] - [ -0.0062291700000000, -0.0019365700000000, 0.0013891400000000 ] - [ -0.0053729400000000, -0.0019293800000000, 0.0021597100000000 ] - [ 0.0058002500000000, 0.0006887900000000, -0.0017739500000000 ] - [ 0.0057830600000000, -0.0000880600000000, -0.0016297700000000 ] - [ 0.0057990900000000, -0.0004391900000000, -0.0017744600000000 ] - [ 0.0058132700000000, -0.0000913100000000, -0.0019201700000000 ] - [ -0.0059208800000000, 0.0004185500000000, -0.0015654000000000 ] - [ -0.0056834700000000, 0.0004284700000000, -0.0019800100000000 ] - [ -0.0056530100000000, -0.0004754000000000, -0.0018979100000000 ] - [ -0.0059458200000000, -0.0004749100000000, -0.0016517000000000 ] - [ 0.0058006500000000, 0.0010227700000000, 0.0017796100000000 ] - [ 0.0057559100000000, -0.0001586700000000, 0.0020081400000000 ] - [ 0.0058000400000000, -0.0005325400000000, 0.0017732200000000 ] - [ 0.0058457900000000, -0.0001589200000000, 0.0015399600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0123358200000000, 0.0000000000000000, -0.0218635800000000 ] - [ -0.0016089300000000, 0.0012080000000000, 0.0037179500000000 ] - [ 0.0004704200000000, 0.0000000000000000, 0.0076299300000000 ] - [ -0.0016089300000000, -0.0012080000000000, 0.0037179500000000 ] - [ 0.0003748500000000, 0.0005867400000000, -0.0068778200000000 ] - [ 0.0003748500000000, -0.0005867400000000, -0.0068778200000000 ] - [ -0.0006097800000000, -0.0001278600000000, -0.0080427300000000 ] - [ -0.0006097800000000, 0.0001278600000000, -0.0080427300000000 ] - [ 0.0004842200000000, 0.0000000000000000, -0.0082702900000000 ] - [ 0.0006007100000000, 0.0003165600000000, -0.0078692300000000 ] - [ 0.0006378000000000, 0.0000000000000000, -0.0080205300000000 ] - [ 0.0006007100000000, -0.0003165600000000, -0.0078692300000000 ] - [ -0.0009309900000000, -0.0000494800000000, 0.0092016400000000 ] - [ -0.0009309900000000, 0.0000494800000000, 0.0092016400000000 ] - [ -0.0009658100000000, -0.0001002200000000, 0.0084292100000000 ] - [ -0.0009658100000000, 0.0001002200000000, 0.0084292100000000 ] - [ 0.0073929800000000, 0.0000000000000000, 0.0042236900000000 ] - [ -0.0008636600000000, 0.0015948000000000, -0.0067647600000000 ] - [ -0.0011309300000000, 0.0000000000000000, -0.0080518300000000 ] - [ -0.0008636600000000, -0.0015948000000000, -0.0067647600000000 ] - [ 0.0010953900000000, -0.0000565600000000, 0.0085399200000000 ] - [ 0.0010953900000000, 0.0000565600000000, 0.0085399200000000 ] - [ 0.0011902600000000, -0.0000485000000000, 0.0080750700000000 ] - [ 0.0011902600000000, 0.0000485000000000, 0.0080750700000000 ] - [ -0.0026654900000000, 0.0000000000000000, 0.0046727600000000 ] - [ -0.0011377800000000, 0.0000132200000000, 0.0070055500000000 ] - [ -0.0012560200000000, 0.0000000000000000, 0.0074914100000000 ] - [ -0.0011377800000000, -0.0000132200000000, 0.0070055500000000 ] - [ -0.0001721100000000, 0.0022704600000000, -0.0028223500000000 ] - [ -0.0001721100000000, -0.0022704600000000, -0.0028223500000000 ] - [ 0.0011063500000000, -0.0002272100000000, -0.0074801000000000 ] - [ 0.0011063500000000, 0.0002272100000000, -0.0074801000000000 ] - [ 0.0067482800000000, 0.0018548100000000, -0.0046441200000000 ] - [ 0.0067482800000000, -0.0018548100000000, -0.0046441200000000 ] - [ 0.0037708000000000, 0.0004517400000000, 0.0004516600000000 ] - [ 0.0037708000000000, -0.0004517400000000, 0.0004516600000000 ] - [ -0.0057713200000000, 0.0000000000000000, 0.0006851700000000 ] - [ -0.0039715900000000, -0.0009481000000000, -0.0012894800000000 ] - [ -0.0041656500000000, 0.0000000000000000, -0.0011519800000000 ] - [ -0.0039715900000000, 0.0009481000000000, -0.0012894800000000 ] - [ 0.0001417800000000, -0.0067562200000000, 0.0035690400000000 ] - [ 0.0001417800000000, 0.0067562200000000, 0.0035690400000000 ] - [ 0.0036606600000000, 0.0008869100000000, -0.0004914900000000 ] - [ 0.0036606600000000, -0.0008869100000000, -0.0004914900000000 ] - [ -0.0029969200000000, 0.0000000000000000, 0.0041189900000000 ] - [ -0.0036932500000000, 0.0006346400000000, 0.0025048200000000 ] - [ -0.0039709800000000, 0.0000000000000000, 0.0015662800000000 ] - [ -0.0036932500000000, -0.0006346400000000, 0.0025048200000000 ] - [ 0.0011387900000000, 0.0000000000000000, 0.0000686900000000 ] - [ -0.0017146400000000, -0.0000130200000000, 0.0003014800000000 ] - [ -0.0016394500000000, 0.0000000000000000, -0.0008438800000000 ] - [ -0.0017146400000000, 0.0000130200000000, 0.0003014800000000 ] - [ 0.0021792800000000, -0.0011151000000000, 0.0012894200000000 ] - [ 0.0021792800000000, 0.0011151000000000, 0.0012894200000000 ] - [ 0.0017388700000000, 0.0000531600000000, 0.0012649700000000 ] - [ 0.0017388700000000, -0.0000531600000000, 0.0012649700000000 ] - [ -0.0003621100000000, 0.0000000000000000, -0.0023826300000000 ] - [ -0.0015282100000000, -0.0003535000000000, 0.0007226700000000 ] - [ -0.0016530100000000, 0.0000000000000000, 0.0009406000000000 ] - [ -0.0015282100000000, 0.0003535000000000, 0.0007226700000000 ] - [ 0.0012981400000000, 0.0011185400000000, -0.0033545800000000 ] - [ 0.0012981400000000, -0.0011185400000000, -0.0033545800000000 ] - [ 0.0016043000000000, -0.0002681600000000, -0.0016970000000000 ] - [ 0.0016043000000000, 0.0002681600000000, -0.0016970000000000 ] - [ 0.0007803300000000, 0.0000000000000000, 0.0056952100000000 ] - [ 0.0001854100000000, -0.0020214700000000, 0.0015263800000000 ] - [ 0.0000345100000000, 0.0000000000000000, 0.0013293200000000 ] - [ 0.0001854100000000, 0.0020214700000000, 0.0015263800000000 ] - [ -0.0002203800000000, 0.0001410800000000, -0.0024335100000000 ] - [ -0.0002203800000000, -0.0001410800000000, -0.0024335100000000 ] - [ -0.0001469700000000, 0.0000276800000000, -0.0014416500000000 ] - [ -0.0001469700000000, -0.0000276800000000, -0.0014416500000000 ] - [ -0.0020459700000000, 0.0000000000000000, 0.0004944700000000 ] - [ -0.0007375200000000, -0.0008413500000000, -0.0008750000000000 ] - [ 0.0002224500000000, 0.0000000000000000, -0.0010570700000000 ] - [ -0.0007375200000000, 0.0008413500000000, -0.0008750000000000 ] - [ 0.0006545100000000, -0.0004537900000000, 0.0005118600000000 ] - [ 0.0006545100000000, 0.0004537900000000, 0.0005118600000000 ] - [ -0.0000356100000000, 0.0000982800000000, 0.0011465400000000 ] - [ -0.0000356100000000, -0.0000982800000000, 0.0011465400000000 ] - [ -0.0023235200000000, -0.0033197800000000, 0.0081115600000000 ] - [ -0.0023235200000000, 0.0033197800000000, 0.0081115600000000 ] - [ -0.0047419200000000, -0.0000692800000000, 0.0030014500000000 ] - [ -0.0047419200000000, 0.0000692800000000, 0.0030014500000000 ] - [ 0.0055450100000000, 0.0000000000000000, -0.0027001800000000 ] - [ 0.0055323100000000, 0.0004917500000000, -0.0024863700000000 ] - [ 0.0056910500000000, 0.0000000000000000, -0.0020225100000000 ] - [ 0.0055323100000000, -0.0004917500000000, -0.0024863700000000 ] - [ -0.0037847400000000, 0.0006143600000000, -0.0005662300000000 ] - [ -0.0037847400000000, -0.0006143600000000, -0.0005662300000000 ] - [ -0.0056118100000000, -0.0001976900000000, -0.0014695800000000 ] - [ -0.0056118100000000, 0.0001976900000000, -0.0014695800000000 ] - [ 0.0058386200000000, 0.0000000000000000, -0.0005406300000000 ] - [ 0.0058380600000000, 0.0007974300000000, -0.0002793000000000 ] - [ 0.0059160000000000, 0.0000000000000000, 0.0010167500000000 ] - [ 0.0058380600000000, -0.0007974300000000, -0.0002793000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0134793000000000, 0.0000000000000000, 0.0373586100000000 ] - [ 0.0030102000000000, -0.0012814000000000, 0.0124269200000000 ] - [ 0.0009307600000000, 0.0000000000000000, 0.0085158600000000 ] - [ 0.0030102000000000, 0.0012814000000000, 0.0124269200000000 ] - [ -0.0017931900000000, -0.0005948900000000, -0.0092740000000000 ] - [ -0.0017931900000000, 0.0005948900000000, -0.0092740000000000 ] - [ -0.0007915700000000, 0.0001297100000000, -0.0081028700000000 ] - [ -0.0007915700000000, -0.0001297100000000, -0.0081028700000000 ] - [ 0.0009164000000000, 0.0000000000000000, -0.0078870000000000 ] - [ 0.0007998400000000, -0.0003140200000000, -0.0082826800000000 ] - [ 0.0007657300000000, 0.0000000000000000, -0.0081297900000000 ] - [ 0.0007998400000000, 0.0003140200000000, -0.0082826800000000 ] - [ -0.0004668300000000, 0.0000473300000000, 0.0069430100000000 ] - [ -0.0004668300000000, -0.0000473300000000, 0.0069430100000000 ] - [ -0.0004337900000000, 0.0001026800000000, 0.0077164600000000 ] - [ -0.0004337900000000, -0.0001026800000000, 0.0077164600000000 ] - [ -0.0097366600000000, 0.0000000000000000, -0.0196013400000000 ] - [ -0.0016143800000000, -0.0015932200000000, -0.0087612600000000 ] - [ -0.0013565400000000, 0.0000000000000000, -0.0074651100000000 ] - [ -0.0016143800000000, 0.0015932200000000, -0.0087612600000000 ] - [ 0.0013919600000000, 0.0000553700000000, 0.0069715400000000 ] - [ 0.0013919600000000, -0.0000553700000000, 0.0069715400000000 ] - [ 0.0012995800000000, 0.0000501900000000, 0.0074370200000000 ] - [ 0.0012995800000000, -0.0000501900000000, 0.0074370200000000 ] - [ 0.0001954000000000, 0.0000000000000000, 0.0108030800000000 ] - [ -0.0013518900000000, -0.0000160200000000, 0.0085022500000000 ] - [ -0.0012335800000000, 0.0000000000000000, 0.0080193400000000 ] - [ -0.0013518900000000, 0.0000160200000000, 0.0085022500000000 ] - [ 0.0026983400000000, -0.0023216400000000, -0.0127659800000000 ] - [ 0.0026983400000000, 0.0023216400000000, -0.0127659800000000 ] - [ 0.0013843700000000, 0.0002308700000000, -0.0080261300000000 ] - [ 0.0013843700000000, -0.0002308700000000, -0.0080261300000000 ] - [ 0.0013233500000000, -0.0018345300000000, 0.0066690200000000 ] - [ 0.0013233500000000, 0.0018345300000000, 0.0066690200000000 ] - [ 0.0043445200000000, -0.0004573000000000, 0.0015590200000000 ] - [ 0.0043445200000000, 0.0004573000000000, 0.0015590200000000 ] - [ -0.0023550200000000, 0.0000000000000000, -0.0026651600000000 ] - [ -0.0041510800000000, 0.0009526800000000, -0.0007014700000000 ] - [ -0.0039543400000000, 0.0000000000000000, -0.0008473400000000 ] - [ -0.0041510800000000, -0.0009526800000000, -0.0007014700000000 ] - [ 0.0079405600000000, 0.0066960300000000, -0.0055315200000000 ] - [ 0.0079405600000000, -0.0066960300000000, -0.0055315200000000 ] - [ 0.0044581600000000, -0.0008804600000000, -0.0015139800000000 ] - [ 0.0044581600000000, 0.0008804600000000, -0.0015139800000000 ] - [ -0.0051270700000000, 0.0000000000000000, -0.0021160200000000 ] - [ -0.0044342800000000, -0.0006251700000000, -0.0005060500000000 ] - [ -0.0041514300000000, 0.0000000000000000, 0.0004347300000000 ] - [ -0.0044342800000000, 0.0006251700000000, -0.0005060500000000 ] - [ -0.0045375200000000, 0.0000000000000000, -0.0022176100000000 ] - [ -0.0017198800000000, 0.0000137600000000, -0.0024157100000000 ] - [ -0.0017957300000000, 0.0000000000000000, -0.0012638900000000 ] - [ -0.0017198800000000, -0.0000137600000000, -0.0024157100000000 ] - [ 0.0012630800000000, 0.0011096400000000, 0.0008064700000000 ] - [ 0.0012630800000000, -0.0011096400000000, 0.0008064700000000 ] - [ 0.0016991700000000, -0.0000518300000000, 0.0008357400000000 ] - [ 0.0016991700000000, 0.0000518300000000, 0.0008357400000000 ] - [ -0.0030721000000000, 0.0000000000000000, 0.0044763400000000 ] - [ -0.0019054600000000, 0.0003490600000000, 0.0013809800000000 ] - [ -0.0017826500000000, 0.0000000000000000, 0.0011637200000000 ] - [ -0.0019054600000000, -0.0003490600000000, 0.0013809800000000 ] - [ 0.0021351000000000, -0.0011113300000000, 0.0012471600000000 ] - [ 0.0021351000000000, 0.0011113300000000, 0.0012471600000000 ] - [ 0.0018298100000000, 0.0002665400000000, -0.0004047200000000 ] - [ 0.0018298100000000, -0.0002665400000000, -0.0004047200000000 ] - [ -0.0007573300000000, 0.0000000000000000, -0.0028348100000000 ] - [ -0.0000105600000000, 0.0020091100000000, 0.0008705400000000 ] - [ 0.0001412900000000, 0.0000000000000000, 0.0010658100000000 ] - [ -0.0000105600000000, -0.0020091100000000, 0.0008705400000000 ] - [ 0.0000474900000000, -0.0001385500000000, 0.0000423800000000 ] - [ 0.0000474900000000, 0.0001385500000000, 0.0000423800000000 ] - [ -0.0000295100000000, -0.0000306800000000, -0.0009516800000000 ] - [ -0.0000295100000000, 0.0000306800000000, -0.0009516800000000 ] - [ 0.0022085300000000, 0.0000000000000000, -0.0028764300000000 ] - [ 0.0009249100000000, 0.0008516700000000, -0.0015163200000000 ] - [ -0.0000418700000000, 0.0000000000000000, -0.0013341400000000 ] - [ 0.0009249100000000, -0.0008516700000000, -0.0015163200000000 ] - [ -0.0008440400000000, 0.0004525600000000, 0.0018740100000000 ] - [ -0.0008440400000000, -0.0004525600000000, 0.0018740100000000 ] - [ -0.0001401000000000, -0.0000986700000000, 0.0012444300000000 ] - [ -0.0001401000000000, 0.0000986700000000, 0.0012444300000000 ] - [ -0.0091490400000000, 0.0031583900000000, -0.0044874200000000 ] - [ -0.0091490400000000, -0.0031583900000000, -0.0044874200000000 ] - [ -0.0068656300000000, 0.0000744800000000, 0.0005628100000000 ] - [ -0.0068656300000000, -0.0000744800000000, 0.0005628100000000 ] - [ 0.0060756200000000, 0.0000000000000000, -0.0008532100000000 ] - [ 0.0060867900000000, -0.0004986000000000, -0.0010684900000000 ] - [ 0.0059222900000000, 0.0000000000000000, -0.0015339500000000 ] - [ 0.0060867900000000, 0.0004986000000000, -0.0010684900000000 ] - [ -0.0078136900000000, -0.0006092000000000, -0.0029748800000000 ] - [ -0.0078136900000000, 0.0006092000000000, -0.0029748800000000 ] - [ -0.0060011100000000, 0.0001967300000000, -0.0020813200000000 ] - [ -0.0060011100000000, -0.0001967300000000, -0.0020813200000000 ] - [ 0.0057705800000000, 0.0000000000000000, 0.0041117700000000 ] - [ 0.0057770800000000, -0.0008129000000000, 0.0038465700000000 ] - [ 0.0056993900000000, 0.0000000000000000, 0.0025367700000000 ] - [ 0.0057770800000000, 0.0008129000000000, 0.0038465700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000803600000000, 0.0000000000000000, 0.0166133200000000 ] - [ 0.0000121600000000, -0.0001781800000000, 0.0084480800000000 ] - [ 0.0006061700000000, 0.0000000000000000, 0.0081839100000000 ] - [ 0.0000121600000000, 0.0001781800000000, 0.0084480800000000 ] - [ -0.0004086800000000, 0.0000309000000000, -0.0082191200000000 ] - [ -0.0004086800000000, -0.0000309000000000, -0.0082191200000000 ] - [ -0.0006446400000000, -0.0000043900000000, -0.0081248800000000 ] - [ -0.0006446400000000, 0.0000043900000000, -0.0081248800000000 ] - [ 0.0091759400000000, 0.0000000000000000, -0.0066205000000000 ] - [ 0.0016238000000000, 0.0001160800000000, -0.0081785300000000 ] - [ 0.0008962200000000, 0.0000000000000000, -0.0080608300000000 ] - [ 0.0016238000000000, -0.0001160800000000, -0.0081785300000000 ] - [ -0.0021252700000000, -0.0005293200000000, 0.0095024300000000 ] - [ -0.0021252700000000, 0.0005293200000000, 0.0095024300000000 ] - [ -0.0009846500000000, -0.0000568800000000, 0.0082089400000000 ] - [ -0.0009846500000000, 0.0000568800000000, 0.0082089400000000 ] - [ -0.0300677100000000, 0.0000000000000000, -0.0173227800000000 ] - [ -0.0040946000000000, 0.0001435500000000, -0.0079718200000000 ] - [ -0.0015021800000000, 0.0000000000000000, -0.0077532200000000 ] - [ -0.0040946000000000, -0.0001435500000000, -0.0079718200000000 ] - [ 0.0017905800000000, 0.0000959500000000, 0.0075986800000000 ] - [ 0.0017905800000000, -0.0000959500000000, 0.0075986800000000 ] - [ 0.0014005500000000, -0.0000370200000000, 0.0076471700000000 ] - [ 0.0014005500000000, 0.0000370200000000, 0.0076471700000000 ] - [ 0.0017674300000000, 0.0000000000000000, 0.0087269000000000 ] - [ -0.0009088900000000, -0.0001470600000000, 0.0080545300000000 ] - [ -0.0011586500000000, 0.0000000000000000, 0.0078714500000000 ] - [ -0.0009088900000000, 0.0001470600000000, 0.0080545300000000 ] - [ 0.0009639200000000, 0.0000596000000000, -0.0078127100000000 ] - [ 0.0009639200000000, -0.0000596000000000, -0.0078127100000000 ] - [ 0.0011905300000000, -0.0000494900000000, -0.0078166100000000 ] - [ 0.0011905300000000, 0.0000494900000000, -0.0078166100000000 ] - [ 0.0038423900000000, -0.0040109600000000, -0.0037553300000000 ] - [ 0.0038423900000000, 0.0040109600000000, -0.0037553300000000 ] - [ 0.0040661800000000, 0.0002665600000000, 0.0007749400000000 ] - [ 0.0040661800000000, -0.0002665600000000, 0.0007749400000000 ] - [ -0.0037826600000000, 0.0000000000000000, -0.0015627300000000 ] - [ -0.0039838400000000, 0.0002464600000000, -0.0012460400000000 ] - [ -0.0039615900000000, 0.0000000000000000, -0.0011065000000000 ] - [ -0.0039838400000000, -0.0002464600000000, -0.0012460400000000 ] - [ 0.0136463000000000, 0.0101045100000000, -0.0052978200000000 ] - [ 0.0136463000000000, -0.0101045100000000, -0.0052978200000000 ] - [ 0.0045519200000000, -0.0010217100000000, -0.0012776400000000 ] - [ 0.0045519200000000, 0.0010217100000000, -0.0012776400000000 ] - [ -0.0036116700000000, 0.0000000000000000, -0.0033897000000000 ] - [ -0.0038200000000000, -0.0019707600000000, -0.0005222900000000 ] - [ -0.0041899200000000, 0.0000000000000000, 0.0006635300000000 ] - [ -0.0038200000000000, 0.0019707600000000, -0.0005222900000000 ] - [ -0.0008016800000000, 0.0000000000000000, -0.0002677700000000 ] - [ -0.0016347100000000, -0.0001035700000000, -0.0009434100000000 ] - [ -0.0017341500000000, 0.0000000000000000, -0.0009714700000000 ] - [ -0.0016347100000000, 0.0001035700000000, -0.0009434100000000 ] - [ 0.0013179400000000, 0.0002723500000000, 0.0017150800000000 ] - [ 0.0013179400000000, -0.0002723500000000, 0.0017150800000000 ] - [ 0.0016122200000000, -0.0000617900000000, 0.0011407300000000 ] - [ 0.0016122200000000, 0.0000617900000000, 0.0011407300000000 ] - [ -0.0043803900000000, 0.0000000000000000, 0.0039111000000000 ] - [ -0.0024040800000000, 0.0007415000000000, 0.0011633900000000 ] - [ -0.0018461800000000, 0.0000000000000000, 0.0010413800000000 ] - [ -0.0024040800000000, -0.0007415000000000, 0.0011633900000000 ] - [ 0.0031622100000000, -0.0012482500000000, 0.0010504100000000 ] - [ 0.0031622100000000, 0.0012482500000000, 0.0010504100000000 ] - [ 0.0020190500000000, 0.0003901300000000, -0.0008940000000000 ] - [ 0.0020190500000000, -0.0003901300000000, -0.0008940000000000 ] - [ 0.0051310500000000, 0.0000000000000000, 0.0039194700000000 ] - [ 0.0004060400000000, 0.0024555500000000, 0.0009958500000000 ] - [ 0.0001726700000000, 0.0000000000000000, 0.0011059600000000 ] - [ 0.0004060400000000, -0.0024555500000000, 0.0009958500000000 ] - [ -0.0006475400000000, -0.0003403300000000, -0.0002771800000000 ] - [ -0.0006475400000000, 0.0003403300000000, -0.0002771800000000 ] - [ -0.0000899300000000, 0.0001470500000000, -0.0010526800000000 ] - [ -0.0000899300000000, -0.0001470500000000, -0.0010526800000000 ] - [ -0.0031590200000000, 0.0000000000000000, 0.0016590000000000 ] - [ 0.0000281900000000, -0.0006093700000000, -0.0010653200000000 ] - [ 0.0000063200000000, 0.0000000000000000, -0.0012361600000000 ] - [ 0.0000281900000000, 0.0006093700000000, -0.0010653200000000 ] - [ -0.0000190400000000, 0.0000114000000000, 0.0010777000000000 ] - [ -0.0000190400000000, -0.0000114000000000, 0.0010777000000000 ] - [ -0.0001202400000000, 0.0000001000000000, 0.0011577100000000 ] - [ -0.0001202400000000, -0.0000001000000000, 0.0011577100000000 ] - [ -0.0017039300000000, 0.0025718400000000, 0.0042544400000000 ] - [ -0.0017039300000000, -0.0025718400000000, 0.0042544400000000 ] - [ -0.0056001800000000, -0.0001027400000000, 0.0021241900000000 ] - [ -0.0056001800000000, 0.0001027400000000, 0.0021241900000000 ] - [ 0.0056205200000000, 0.0000000000000000, -0.0016108900000000 ] - [ 0.0056222200000000, 0.0000067000000000, -0.0016513900000000 ] - [ 0.0057266600000000, 0.0000000000000000, -0.0016793400000000 ] - [ 0.0056222200000000, -0.0000067000000000, -0.0016513900000000 ] - [ -0.0094907700000000, -0.0006199400000000, -0.0019710200000000 ] - [ -0.0094907700000000, 0.0006199400000000, -0.0019710200000000 ] - [ -0.0064027200000000, 0.0000458200000000, -0.0017865600000000 ] - [ -0.0064027200000000, -0.0000458200000000, -0.0017865600000000 ] - [ 0.0069880500000000, 0.0000000000000000, 0.0022141900000000 ] - [ 0.0067978200000000, 0.0000979600000000, 0.0019204300000000 ] - [ 0.0062444700000000, 0.0000000000000000, 0.0017310100000000 ] - [ 0.0067978200000000, -0.0000979600000000, 0.0019204300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015445200000000, 0.0000000000000000, -0.0005153700000000 ] - [ 0.0014096200000000, 0.0001694700000000, 0.0076968800000000 ] - [ 0.0007978200000000, 0.0000000000000000, 0.0079578400000000 ] - [ 0.0014096200000000, -0.0001694700000000, 0.0076968800000000 ] - [ -0.0009919600000000, -0.0000312800000000, -0.0079225200000000 ] - [ -0.0009919600000000, 0.0000312800000000, -0.0079225200000000 ] - [ -0.0007556500000000, 0.0000046900000000, -0.0080159300000000 ] - [ -0.0007556500000000, -0.0000046900000000, -0.0080159300000000 ] - [ -0.0076139600000000, 0.0000000000000000, -0.0094813200000000 ] - [ -0.0002240700000000, -0.0001100100000000, -0.0079646100000000 ] - [ 0.0005035900000000, 0.0000000000000000, -0.0080826600000000 ] - [ -0.0002240700000000, 0.0001100100000000, -0.0079646100000000 ] - [ 0.0007196500000000, 0.0005331300000000, 0.0066325300000000 ] - [ 0.0007196500000000, -0.0005331300000000, 0.0066325300000000 ] - [ -0.0004162200000000, 0.0000563700000000, 0.0079314300000000 ] - [ -0.0004162200000000, -0.0000563700000000, 0.0079314300000000 ] - [ 0.0283778500000000, 0.0000000000000000, 0.0019494100000000 ] - [ 0.0016172300000000, -0.0002118700000000, -0.0075459800000000 ] - [ -0.0009843800000000, 0.0000000000000000, -0.0077513100000000 ] - [ 0.0016172300000000, 0.0002118700000000, -0.0075459800000000 ] - [ 0.0006985900000000, -0.0000971900000000, 0.0079106400000000 ] - [ 0.0006985900000000, 0.0000971900000000, 0.0079106400000000 ] - [ 0.0010892400000000, 0.0000376000000000, 0.0078590300000000 ] - [ 0.0010892400000000, -0.0000376000000000, 0.0078590300000000 ] - [ -0.0042524300000000, 0.0000000000000000, 0.0067641900000000 ] - [ -0.0015829400000000, 0.0001510400000000, 0.0074436900000000 ] - [ -0.0013319600000000, 0.0000000000000000, 0.0076303800000000 ] - [ -0.0015829400000000, -0.0001510400000000, 0.0074436900000000 ] - [ 0.0015270700000000, -0.0000605000000000, -0.0076878300000000 ] - [ 0.0015270700000000, 0.0000605000000000, -0.0076878300000000 ] - [ 0.0013004300000000, 0.0000497700000000, -0.0076844500000000 ] - [ 0.0013004300000000, -0.0000497700000000, -0.0076844500000000 ] - [ 0.0041983800000000, 0.0039726000000000, 0.0057623900000000 ] - [ 0.0041983800000000, -0.0039726000000000, 0.0057623900000000 ] - [ 0.0040351700000000, -0.0002707200000000, 0.0012476200000000 ] - [ 0.0040351700000000, 0.0002707200000000, 0.0012476200000000 ] - [ -0.0043341700000000, 0.0000000000000000, -0.0004599000000000 ] - [ -0.0041357100000000, -0.0002417400000000, -0.0007715600000000 ] - [ -0.0041528600000000, 0.0000000000000000, -0.0009132600000000 ] - [ -0.0041357100000000, 0.0002417400000000, -0.0007715600000000 ] - [ -0.0056610300000000, -0.0102304800000000, 0.0033231700000000 ] - [ -0.0056610300000000, 0.0102304800000000, 0.0033231700000000 ] - [ 0.0035597100000000, 0.0010317300000000, -0.0007391200000000 ] - [ 0.0035597100000000, -0.0010317300000000, -0.0007391200000000 ] - [ -0.0044981600000000, 0.0000000000000000, 0.0054567200000000 ] - [ -0.0042950700000000, 0.0019847700000000, 0.0025530900000000 ] - [ -0.0039199200000000, 0.0000000000000000, 0.0013582500000000 ] - [ -0.0042950700000000, -0.0019847700000000, 0.0025530900000000 ] - [ -0.0026395900000000, 0.0000000000000000, -0.0018478700000000 ] - [ -0.0018085300000000, 0.0001122900000000, -0.0011819100000000 ] - [ -0.0017158800000000, 0.0000000000000000, -0.0011427300000000 ] - [ -0.0018085300000000, -0.0001122900000000, -0.0011819100000000 ] - [ 0.0021379400000000, -0.0002673300000000, 0.0004022900000000 ] - [ 0.0021379400000000, 0.0002673300000000, 0.0004022900000000 ] - [ 0.0018440500000000, 0.0000623700000000, 0.0009702400000000 ] - [ 0.0018440500000000, -0.0000623700000000, 0.0009702400000000 ] - [ 0.0009470100000000, 0.0000000000000000, -0.0018275400000000 ] - [ -0.0010473600000000, -0.0007477900000000, 0.0009419700000000 ] - [ -0.0016059500000000, 0.0000000000000000, 0.0010692400000000 ] - [ -0.0010473600000000, 0.0007477900000000, 0.0009419700000000 ] - [ 0.0002569300000000, 0.0012403400000000, -0.0031558100000000 ] - [ 0.0002569300000000, -0.0012403400000000, -0.0031558100000000 ] - [ 0.0014283800000000, -0.0003921200000000, -0.0012168100000000 ] - [ 0.0014283800000000, 0.0003921200000000, -0.0012168100000000 ] - [ -0.0056709200000000, 0.0000000000000000, -0.0017066000000000 ] - [ -0.0002263800000000, -0.0024798900000000, 0.0013924800000000 ] - [ 0.0000089900000000, 0.0000000000000000, 0.0012807600000000 ] - [ -0.0002263800000000, 0.0024798900000000, 0.0013924800000000 ] - [ 0.0004626000000000, 0.0003452700000000, -0.0021112400000000 ] - [ 0.0004626000000000, -0.0003452700000000, -0.0021112400000000 ] - [ -0.0000965200000000, -0.0001492900000000, -0.0013332800000000 ] - [ -0.0000965200000000, 0.0001492900000000, -0.0013332800000000 ] - [ 0.0033685500000000, 0.0000000000000000, -0.0040240800000000 ] - [ 0.0001710200000000, 0.0006085100000000, -0.0013141100000000 ] - [ 0.0001839400000000, 0.0000000000000000, -0.0011469100000000 ] - [ 0.0001710200000000, -0.0006085100000000, -0.0013141100000000 ] - [ -0.0001669800000000, -0.0000113100000000, 0.0013047700000000 ] - [ -0.0001669800000000, 0.0000113100000000, 0.0013047700000000 ] - [ -0.0000644000000000, 0.0000009500000000, 0.0012254900000000 ] - [ -0.0000644000000000, -0.0000009500000000, 0.0012254900000000 ] - [ -0.0098813000000000, -0.0025877400000000, -0.0007137100000000 ] - [ -0.0098813000000000, 0.0025877400000000, -0.0007137100000000 ] - [ -0.0060006900000000, 0.0001094600000000, 0.0014185900000000 ] - [ -0.0060006900000000, -0.0001094600000000, 0.0014185900000000 ] - [ 0.0059796800000000, 0.0000000000000000, -0.0019394900000000 ] - [ 0.0059784900000000, -0.0000086300000000, -0.0018999900000000 ] - [ 0.0058738500000000, 0.0000000000000000, -0.0018726100000000 ] - [ 0.0059784900000000, 0.0000086300000000, -0.0018999900000000 ] - [ -0.0020987100000000, 0.0006290200000000, -0.0015720600000000 ] - [ -0.0020987100000000, -0.0006290200000000, -0.0015720600000000 ] - [ -0.0051979600000000, -0.0000488000000000, -0.0017599400000000 ] - [ -0.0051979600000000, 0.0000488000000000, -0.0017599400000000 ] - [ 0.0046063100000000, 0.0000000000000000, 0.0013295600000000 ] - [ 0.0048031600000000, -0.0001026500000000, 0.0016242800000000 ] - [ 0.0053557600000000, 0.0000000000000000, 0.0018158700000000 ] - [ 0.0048031600000000, 0.0001026500000000, 0.0016242800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007045800000000, -0.0047061900000000, 0.0080893300000000 ] - [ -0.0009838800000000, 0.0015467200000000, 0.0064713100000000 ] - [ 0.0006976700000000, 0.0008198800000000, 0.0080681300000000 ] - [ 0.0023828600000000, 0.0015427700000000, 0.0096596600000000 ] - [ -0.0006637000000000, -0.0001199700000000, -0.0081264400000000 ] - [ -0.0007358000000000, -0.0001200800000000, -0.0080147400000000 ] - [ -0.0007363900000000, 0.0001121700000000, -0.0081198700000000 ] - [ -0.0006629000000000, 0.0001122500000000, -0.0080214000000000 ] - [ 0.0006883500000000, -0.0010826800000000, -0.0080720700000000 ] - [ 0.0011446900000000, 0.0001278300000000, -0.0080565000000000 ] - [ 0.0006997500000000, 0.0003950900000000, -0.0080701000000000 ] - [ 0.0002594400000000, 0.0001287100000000, -0.0080863300000000 ] - [ -0.0014695900000000, 0.0002766400000000, 0.0057823700000000 ] - [ 0.0000755000000000, 0.0002689300000000, 0.0103736200000000 ] - [ -0.0006354400000000, 0.0003077800000000, 0.0082997700000000 ] - [ -0.0007629400000000, 0.0003056000000000, 0.0078418200000000 ] - [ -0.0012379300000000, -0.0409272100000000, -0.0074430700000000 ] - [ -0.0014252600000000, 0.0150509000000000, -0.0058565900000000 ] - [ -0.0012444800000000, 0.0004856600000000, -0.0077502200000000 ] - [ -0.0010698200000000, 0.0146556800000000, -0.0096238200000000 ] - [ 0.0013410800000000, -0.0001504000000000, 0.0076517800000000 ] - [ 0.0011480300000000, -0.0001513400000000, 0.0078501500000000 ] - [ 0.0012073300000000, 0.0001541300000000, 0.0078278600000000 ] - [ 0.0012819500000000, 0.0001540300000000, 0.0076758500000000 ] - [ -0.0012431300000000, -0.0003853600000000, 0.0077530000000000 ] - [ -0.0010950200000000, 0.0000039300000000, 0.0076765000000000 ] - [ -0.0012445700000000, 0.0003844800000000, 0.0077505000000000 ] - [ -0.0013931500000000, 0.0000055300000000, 0.0078250900000000 ] - [ 0.0013048900000000, -0.0001715200000000, -0.0076994000000000 ] - [ 0.0011848100000000, -0.0001714000000000, -0.0078048100000000 ] - [ 0.0011948900000000, 0.0001668500000000, -0.0078438600000000 ] - [ 0.0012940900000000, 0.0001673700000000, -0.0076604200000000 ] - [ -0.0016024400000000, -0.0010556600000000, 0.0058694500000000 ] - [ 0.0097285200000000, -0.0010665600000000, -0.0038711200000000 ] - [ 0.0044792700000000, 0.0015530900000000, 0.0005871700000000 ] - [ 0.0036330000000000, 0.0015516300000000, 0.0014284300000000 ] - [ -0.0040557100000000, -0.0007198100000000, -0.0010120300000000 ] - [ -0.0035482000000000, -0.0000320600000000, -0.0015844400000000 ] - [ -0.0040556100000000, 0.0007410600000000, -0.0010119600000000 ] - [ -0.0045633700000000, -0.0000304200000000, -0.0004395100000000 ] - [ 0.0083993600000000, -0.0009802400000000, -0.0007750000000000 ] - [ -0.0002940800000000, -0.0010232100000000, -0.0012519800000000 ] - [ 0.0036783600000000, 0.0014744500000000, -0.0006956700000000 ] - [ 0.0044308900000000, 0.0014695500000000, -0.0013194200000000 ] - [ -0.0040506400000000, -0.0031913000000000, 0.0010034800000000 ] - [ -0.0043127200000000, 0.0011267900000000, 0.0022617100000000 ] - [ -0.0040546600000000, 0.0010165500000000, 0.0010129700000000 ] - [ -0.0037949900000000, 0.0011297200000000, -0.0002364700000000 ] - [ -0.0017270300000000, 0.0022452000000000, -0.0010520700000000 ] - [ -0.0022452600000000, -0.0009132100000000, 0.0002713900000000 ] - [ -0.0017260400000000, -0.0006585100000000, -0.0010539200000000 ] - [ -0.0012046400000000, -0.0009140300000000, -0.0023810800000000 ] - [ 0.0017853700000000, 0.0004683100000000, 0.0009447100000000 ] - [ 0.0016676700000000, 0.0004697300000000, 0.0011659500000000 ] - [ 0.0015465300000000, -0.0004767100000000, 0.0012317800000000 ] - [ 0.0019054900000000, -0.0004771100000000, 0.0008810900000000 ] - [ -0.0017268600000000, 0.0010835000000000, 0.0010619500000000 ] - [ -0.0013512400000000, -0.0003264500000000, 0.0007817700000000 ] - [ -0.0017257800000000, -0.0005246700000000, 0.0010548900000000 ] - [ -0.0021030600000000, -0.0003296400000000, 0.0013241900000000 ] - [ 0.0011738400000000, 0.0004647300000000, -0.0000517200000000 ] - [ 0.0022664000000000, 0.0004944900000000, -0.0020435400000000 ] - [ 0.0019359800000000, -0.0008643700000000, -0.0014050100000000 ] - [ 0.0015164200000000, -0.0008635500000000, -0.0007089900000000 ] - [ 0.0001051100000000, 0.0043795200000000, 0.0011949900000000 ] - [ 0.0012927800000000, -0.0007001200000000, 0.0010783200000000 ] - [ 0.0000930700000000, -0.0006727200000000, 0.0011927800000000 ] - [ -0.0010925200000000, -0.0006978100000000, 0.0013050800000000 ] - [ -0.0004395900000000, 0.0002317000000000, -0.0005373900000000 ] - [ 0.0002531300000000, 0.0002315600000000, -0.0018472700000000 ] - [ -0.0000899300000000, -0.0001990900000000, -0.0013153800000000 ] - [ -0.0000976900000000, -0.0001998800000000, -0.0010702800000000 ] - [ 0.0000936800000000, 0.0028183300000000, -0.0011960600000000 ] - [ -0.0010442900000000, -0.0009510900000000, -0.0009563400000000 ] - [ 0.0000927500000000, -0.0007077000000000, -0.0011921300000000 ] - [ 0.0012240700000000, -0.0009480500000000, -0.0014228200000000 ] - [ -0.0000419900000000, 0.0002495400000000, 0.0013357600000000 ] - [ -0.0001426000000000, 0.0002485400000000, 0.0010527400000000 ] - [ -0.0001518800000000, -0.0002972800000000, 0.0012534400000000 ] - [ -0.0000332200000000, -0.0002975800000000, 0.0011324800000000 ] - [ -0.0050883100000000, 0.0052883300000000, 0.0081245600000000 ] - [ -0.0065287900000000, 0.0054753700000000, -0.0049256000000000 ] - [ -0.0055948500000000, -0.0018088800000000, 0.0024768100000000 ] - [ -0.0060048100000000, -0.0018022500000000, 0.0010746500000000 ] - [ 0.0058006500000000, 0.0004298700000000, -0.0017749000000000 ] - [ 0.0057259600000000, -0.0000009100000000, -0.0017926100000000 ] - [ 0.0057999800000000, -0.0004243300000000, -0.0017748600000000 ] - [ 0.0058744500000000, -0.0000016900000000, -0.0017567500000000 ] - [ -0.0057270600000000, 0.0006386900000000, -0.0019611500000000 ] - [ -0.0058811200000000, 0.0006467100000000, -0.0015875500000000 ] - [ -0.0056692000000000, -0.0006464800000000, -0.0016025300000000 ] - [ -0.0059309200000000, -0.0006439500000000, -0.0019446900000000 ] - [ 0.0058003300000000, 0.0008629800000000, 0.0017752200000000 ] - [ 0.0054144900000000, -0.0000215100000000, 0.0014879600000000 ] - [ 0.0057976800000000, -0.0004816700000000, 0.0017752200000000 ] - [ 0.0061799500000000, -0.0000262700000000, 0.0020642300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0104975200000000, 0.0000000000000000, 0.0199031600000000 ] - [ 0.0026101100000000, -0.0023690000000000, 0.0090636700000000 ] - [ 0.0003586300000000, 0.0000000000000000, 0.0077746900000000 ] - [ 0.0026101100000000, 0.0023690000000000, 0.0090636700000000 ] - [ -0.0006966200000000, 0.0000149400000000, -0.0072815300000000 ] - [ -0.0006966200000000, -0.0000149400000000, -0.0072815300000000 ] - [ -0.0006382200000000, 0.0000035000000000, -0.0077469200000000 ] - [ -0.0006382200000000, -0.0000035000000000, -0.0077469200000000 ] - [ 0.0024392600000000, 0.0000000000000000, -0.0111370200000000 ] - [ 0.0007157300000000, 0.0002313600000000, -0.0088161500000000 ] - [ 0.0006985600000000, 0.0000000000000000, -0.0083306600000000 ] - [ 0.0007157300000000, -0.0002313600000000, -0.0088161500000000 ] - [ 0.0004419700000000, -0.0023816400000000, 0.0130757600000000 ] - [ 0.0004419700000000, 0.0023816400000000, 0.0130757600000000 ] - [ -0.0007319000000000, 0.0001864600000000, 0.0083382300000000 ] - [ -0.0007319000000000, -0.0001864600000000, 0.0083382300000000 ] - [ -0.0108468200000000, 0.0000000000000000, -0.0463715100000000 ] - [ -0.0014544900000000, -0.0019127900000000, -0.0147079600000000 ] - [ -0.0012444600000000, 0.0000000000000000, -0.0083769400000000 ] - [ -0.0014544900000000, 0.0019127900000000, -0.0147079600000000 ] - [ 0.0010890500000000, -0.0000994400000000, 0.0083078900000000 ] - [ 0.0010890500000000, 0.0000994400000000, 0.0083078900000000 ] - [ 0.0011386100000000, 0.0000765700000000, 0.0080605900000000 ] - [ 0.0011386100000000, -0.0000765700000000, 0.0080605900000000 ] - [ -0.0022207600000000, 0.0000000000000000, 0.0071646000000000 ] - [ -0.0015490700000000, -0.0000749700000000, 0.0072654500000000 ] - [ -0.0013645200000000, 0.0000000000000000, 0.0075255900000000 ] - [ -0.0015490700000000, 0.0000749700000000, 0.0072654500000000 ] - [ 0.0013067600000000, -0.0000542000000000, -0.0062262900000000 ] - [ 0.0013067600000000, 0.0000542000000000, -0.0062262900000000 ] - [ 0.0013116500000000, 0.0000926600000000, -0.0069840800000000 ] - [ 0.0013116500000000, -0.0000926600000000, -0.0069840800000000 ] - [ -0.0035071300000000, 0.0044905400000000, 0.0081629200000000 ] - [ -0.0035071300000000, -0.0044905400000000, 0.0081629200000000 ] - [ 0.0042615500000000, -0.0014023900000000, 0.0011025700000000 ] - [ 0.0042615500000000, 0.0014023900000000, 0.0011025700000000 ] - [ -0.0049010100000000, 0.0000000000000000, 0.0014886200000000 ] - [ -0.0044139500000000, -0.0000861700000000, 0.0003973300000000 ] - [ -0.0039699300000000, 0.0000000000000000, -0.0005636600000000 ] - [ -0.0044139500000000, 0.0000861700000000, 0.0003973300000000 ] - [ 0.0018090500000000, -0.0001023000000000, -0.0049865900000000 ] - [ 0.0018090500000000, 0.0001023000000000, -0.0049865900000000 ] - [ 0.0040449500000000, 0.0002814800000000, -0.0018713100000000 ] - [ 0.0040449500000000, -0.0002814800000000, -0.0018713100000000 ] - [ -0.0073895900000000, 0.0000000000000000, 0.0052670500000000 ] - [ -0.0049587200000000, 0.0026368000000000, 0.0026600300000000 ] - [ -0.0041957900000000, 0.0000000000000000, 0.0012547000000000 ] - [ -0.0049587200000000, -0.0026368000000000, 0.0026600300000000 ] - [ -0.0005098700000000, 0.0000000000000000, -0.0043329700000000 ] - [ -0.0011860700000000, 0.0014133200000000, -0.0026796700000000 ] - [ -0.0018408500000000, 0.0000000000000000, -0.0010658900000000 ] - [ -0.0011860700000000, -0.0014133200000000, -0.0026796700000000 ] - [ 0.0022754600000000, -0.0004749800000000, -0.0000418500000000 ] - [ 0.0022754600000000, 0.0004749800000000, -0.0000418500000000 ] - [ 0.0020042700000000, 0.0003362000000000, 0.0007113800000000 ] - [ 0.0020042700000000, -0.0003362000000000, 0.0007113800000000 ] - [ -0.0012197400000000, 0.0000000000000000, 0.0022867300000000 ] - [ -0.0007881100000000, -0.0009971400000000, 0.0017209800000000 ] - [ -0.0015503000000000, 0.0000000000000000, 0.0012245300000000 ] - [ -0.0007881100000000, 0.0009971400000000, 0.0017209800000000 ] - [ 0.0038517500000000, 0.0024561600000000, -0.0026020400000000 ] - [ 0.0038517500000000, -0.0024561600000000, -0.0026020400000000 ] - [ 0.0017598900000000, -0.0005383700000000, -0.0009544100000000 ] - [ 0.0017598900000000, 0.0005383700000000, -0.0009544100000000 ] - [ 0.0034459500000000, 0.0000000000000000, 0.0062473800000000 ] - [ 0.0000522900000000, 0.0002103700000000, 0.0024226200000000 ] - [ 0.0001203000000000, 0.0000000000000000, 0.0015077500000000 ] - [ 0.0000522900000000, -0.0002103700000000, 0.0024226200000000 ] - [ 0.0006842300000000, 0.0001258300000000, -0.0026801900000000 ] - [ 0.0006842300000000, -0.0001258300000000, -0.0026801900000000 ] - [ 0.0001133800000000, -0.0002490300000000, -0.0015198000000000 ] - [ 0.0001133800000000, 0.0002490300000000, -0.0015198000000000 ] - [ 0.0034236800000000, 0.0000000000000000, -0.0002116500000000 ] - [ 0.0012616800000000, 0.0018371500000000, -0.0006379400000000 ] - [ 0.0001894800000000, 0.0000000000000000, -0.0010182600000000 ] - [ 0.0012616800000000, -0.0018371500000000, -0.0006379400000000 ] - [ -0.0004114100000000, -0.0001667700000000, -0.0005628400000000 ] - [ -0.0004114100000000, 0.0001667700000000, -0.0005628400000000 ] - [ -0.0001290700000000, 0.0001033100000000, 0.0006886300000000 ] - [ -0.0001290700000000, -0.0001033100000000, 0.0006886300000000 ] - [ -0.0060884300000000, 0.0028460100000000, 0.0102590800000000 ] - [ -0.0060884300000000, -0.0028460100000000, 0.0102590800000000 ] - [ -0.0054690700000000, 0.0002126700000000, 0.0038864700000000 ] - [ -0.0054690700000000, -0.0002126700000000, 0.0038864700000000 ] - [ 0.0058084500000000, 0.0000000000000000, -0.0025419900000000 ] - [ 0.0057722900000000, -0.0000400700000000, -0.0024343400000000 ] - [ 0.0056962800000000, 0.0000000000000000, -0.0022604900000000 ] - [ 0.0057722900000000, 0.0000400700000000, -0.0024343400000000 ] - [ -0.0064306800000000, 0.0004103700000000, -0.0003345700000000 ] - [ -0.0064306800000000, -0.0004103700000000, -0.0003345700000000 ] - [ -0.0058543400000000, -0.0000735100000000, -0.0011878300000000 ] - [ -0.0058543400000000, 0.0000735100000000, -0.0011878300000000 ] - [ 0.0058438400000000, 0.0000000000000000, -0.0004707300000000 ] - [ 0.0061066900000000, -0.0007602800000000, 0.0002116700000000 ] - [ 0.0061235300000000, 0.0000000000000000, 0.0008790300000000 ] - [ 0.0061066900000000, 0.0007602800000000, 0.0002116700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0092513800000000, 0.0000000000000000, -0.0039145300000000 ] - [ -0.0012135200000000, 0.0023811400000000, 0.0070749900000000 ] - [ 0.0010438600000000, 0.0000000000000000, 0.0083697900000000 ] - [ -0.0012135200000000, -0.0023811400000000, 0.0070749900000000 ] - [ -0.0007049100000000, -0.0000159800000000, -0.0088581900000000 ] - [ -0.0007049100000000, 0.0000159800000000, -0.0088581900000000 ] - [ -0.0007619000000000, -0.0000029600000000, -0.0083930000000000 ] - [ -0.0007619000000000, 0.0000029600000000, -0.0083930000000000 ] - [ -0.0010646500000000, 0.0000000000000000, -0.0050147000000000 ] - [ 0.0006823900000000, -0.0002339800000000, -0.0073279400000000 ] - [ 0.0007013700000000, 0.0000000000000000, -0.0078113400000000 ] - [ 0.0006823900000000, 0.0002339800000000, -0.0073279400000000 ] - [ -0.0018210800000000, 0.0023259600000000, 0.0031402000000000 ] - [ -0.0018210800000000, -0.0023259600000000, 0.0031402000000000 ] - [ -0.0006658800000000, -0.0001835200000000, 0.0078000300000000 ] - [ -0.0006658800000000, 0.0001835200000000, 0.0078000300000000 ] - [ 0.0084200800000000, 0.0000000000000000, 0.0319024300000000 ] - [ -0.0010289600000000, 0.0018539000000000, -0.0007665000000000 ] - [ -0.0012428600000000, 0.0000000000000000, -0.0071215400000000 ] - [ -0.0010289600000000, -0.0018539000000000, -0.0007665000000000 ] - [ 0.0014012600000000, 0.0000988400000000, 0.0071952200000000 ] - [ 0.0014012600000000, -0.0000988400000000, 0.0071952200000000 ] - [ 0.0013507000000000, -0.0000754000000000, 0.0074424600000000 ] - [ 0.0013507000000000, 0.0000754000000000, 0.0074424600000000 ] - [ -0.0002581100000000, 0.0000000000000000, 0.0083470500000000 ] - [ -0.0009385000000000, 0.0000737000000000, 0.0082414200000000 ] - [ -0.0011237900000000, 0.0000000000000000, 0.0079784700000000 ] - [ -0.0009385000000000, -0.0000737000000000, 0.0082414200000000 ] - [ 0.0011820100000000, 0.0000513000000000, -0.0092720400000000 ] - [ 0.0011820100000000, -0.0000513000000000, -0.0092720400000000 ] - [ 0.0011795200000000, -0.0000908300000000, -0.0085167000000000 ] - [ 0.0011795200000000, 0.0000908300000000, -0.0085167000000000 ] - [ 0.0116829600000000, -0.0045537500000000, -0.0061991600000000 ] - [ 0.0116829600000000, 0.0045537500000000, -0.0061991600000000 ] - [ 0.0038452500000000, 0.0014064700000000, 0.0009223400000000 ] - [ 0.0038452500000000, -0.0014064700000000, 0.0009223400000000 ] - [ -0.0031962600000000, 0.0000000000000000, -0.0035107400000000 ] - [ -0.0036939900000000, 0.0000968800000000, -0.0024144800000000 ] - [ -0.0041412600000000, 0.0000000000000000, -0.0014550500000000 ] - [ -0.0036939900000000, -0.0000968800000000, -0.0024144800000000 ] - [ 0.0063336500000000, 0.0001496700000000, 0.0029071800000000 ] - [ 0.0063336500000000, -0.0001496700000000, 0.0029071800000000 ] - [ 0.0040722100000000, -0.0002812900000000, -0.0001581500000000 ] - [ 0.0040722100000000, 0.0002812900000000, -0.0001581500000000 ] - [ -0.0007723000000000, 0.0000000000000000, -0.0032215900000000 ] - [ -0.0031619200000000, -0.0026172100000000, -0.0006352700000000 ] - [ -0.0039160800000000, 0.0000000000000000, 0.0007617200000000 ] - [ -0.0031619200000000, 0.0026172100000000, -0.0006352700000000 ] - [ -0.0029532100000000, 0.0000000000000000, 0.0022359000000000 ] - [ -0.0022625600000000, -0.0014165800000000, 0.0005623700000000 ] - [ -0.0016105000000000, 0.0000000000000000, -0.0010485400000000 ] - [ -0.0022625600000000, 0.0014165800000000, 0.0005623700000000 ] - [ 0.0011732100000000, 0.0004777900000000, 0.0021478000000000 ] - [ 0.0011732100000000, -0.0004777900000000, 0.0021478000000000 ] - [ 0.0014482200000000, -0.0003370900000000, 0.0013989300000000 ] - [ 0.0014482200000000, 0.0003370900000000, 0.0013989300000000 ] - [ -0.0022255700000000, 0.0000000000000000, -0.0001512600000000 ] - [ -0.0026562700000000, 0.0009901300000000, 0.0003959400000000 ] - [ -0.0019009000000000, 0.0000000000000000, 0.0008883100000000 ] - [ -0.0026562700000000, -0.0009901300000000, 0.0003959400000000 ] - [ -0.0003878600000000, -0.0024452100000000, 0.0005099500000000 ] - [ -0.0003878600000000, 0.0024452100000000, 0.0005099500000000 ] - [ 0.0016898100000000, 0.0005364200000000, -0.0011483000000000 ] - [ 0.0016898100000000, -0.0005364200000000, -0.0011483000000000 ] - [ -0.0033515400000000, 0.0000000000000000, -0.0038447200000000 ] - [ 0.0001297300000000, -0.0002037800000000, -0.0000355100000000 ] - [ 0.0000639300000000, 0.0000000000000000, 0.0008778800000000 ] - [ 0.0001297300000000, 0.0002037800000000, -0.0000355100000000 ] - [ -0.0008649100000000, -0.0001245400000000, 0.0002926400000000 ] - [ -0.0008649100000000, 0.0001245400000000, 0.0002926400000000 ] - [ -0.0002977700000000, 0.0002458100000000, -0.0008638000000000 ] - [ -0.0002977700000000, -0.0002458100000000, -0.0008638000000000 ] - [ -0.0032234800000000, 0.0000000000000000, -0.0022171600000000 ] - [ -0.0010787800000000, -0.0018441200000000, -0.0017487700000000 ] - [ -0.0000019900000000, 0.0000000000000000, -0.0013665900000000 ] - [ -0.0010787800000000, 0.0018441200000000, -0.0017487700000000 ] - [ 0.0002189200000000, 0.0001703700000000, 0.0029381900000000 ] - [ 0.0002189200000000, -0.0001703700000000, 0.0029381900000000 ] - [ -0.0000574500000000, -0.0001049600000000, 0.0016962800000000 ] - [ -0.0000574500000000, 0.0001049600000000, 0.0016962800000000 ] - [ -0.0055146500000000, -0.0032243800000000, -0.0071473200000000 ] - [ -0.0055146500000000, 0.0032243800000000, -0.0071473200000000 ] - [ -0.0061337700000000, -0.0002120000000000, -0.0003563400000000 ] - [ -0.0061337700000000, 0.0002120000000000, -0.0003563400000000 ] - [ 0.0057894500000000, 0.0000000000000000, -0.0010060900000000 ] - [ 0.0058267100000000, 0.0000376000000000, -0.0011138600000000 ] - [ 0.0059040500000000, 0.0000000000000000, -0.0012887200000000 ] - [ 0.0058267100000000, -0.0000376000000000, -0.0011138600000000 ] - [ -0.0051878300000000, -0.0004153700000000, -0.0032171400000000 ] - [ -0.0051878300000000, 0.0004153700000000, -0.0032171400000000 ] - [ -0.0057462800000000, 0.0000738500000000, -0.0023610600000000 ] - [ -0.0057462800000000, -0.0000738500000000, -0.0023610600000000 ] - [ 0.0057604000000000, 0.0000000000000000, 0.0040049300000000 ] - [ 0.0054993500000000, 0.0007478800000000, 0.0033344100000000 ] - [ 0.0054764800000000, 0.0000000000000000, 0.0026724400000000 ] - [ 0.0054993500000000, -0.0007478800000000, 0.0033344100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0125439900000000, -0.0079046800000000, 0.0107899500000000 ] - [ 0.0007965000000000, -0.0005036700000000, 0.0077877100000000 ] - [ 0.0007965000000000, 0.0005036700000000, 0.0077877100000000 ] - [ 0.0125439900000000, 0.0079046800000000, 0.0107899500000000 ] - [ 0.0038409500000000, 0.0000000000000000, -0.0097862000000000 ] - [ 0.0002905400000000, 0.0006560200000000, -0.0079871000000000 ] - [ -0.0004140900000000, 0.0000000000000000, -0.0081809300000000 ] - [ 0.0002905400000000, -0.0006560200000000, -0.0079871000000000 ] - [ 0.0019371000000000, 0.0005626700000000, -0.0041786100000000 ] - [ 0.0005822500000000, 0.0003703700000000, -0.0076765900000000 ] - [ 0.0005822500000000, -0.0003703700000000, -0.0076765900000000 ] - [ 0.0019371000000000, -0.0005626700000000, -0.0041786100000000 ] - [ -0.0014243400000000, 0.0000000000000000, 0.0070103500000000 ] - [ -0.0008859000000000, -0.0000415700000000, 0.0077050900000000 ] - [ -0.0009209300000000, 0.0000000000000000, 0.0079862500000000 ] - [ -0.0008859000000000, 0.0000415700000000, 0.0077050900000000 ] - [ -0.0014197700000000, -0.0056623400000000, -0.0153337800000000 ] - [ -0.0012283200000000, -0.0004230100000000, -0.0075416200000000 ] - [ -0.0012283200000000, 0.0004230100000000, -0.0075416200000000 ] - [ -0.0014197700000000, 0.0056623400000000, -0.0153337800000000 ] - [ 0.0015188800000000, 0.0000000000000000, 0.0068985600000000 ] - [ 0.0013193400000000, 0.0005071600000000, 0.0073916900000000 ] - [ 0.0013397600000000, 0.0000000000000000, 0.0078373800000000 ] - [ 0.0013193400000000, -0.0005071600000000, 0.0073916900000000 ] - [ 0.0084372300000000, 0.0043779800000000, 0.0100303200000000 ] - [ -0.0007509000000000, 0.0003769700000000, 0.0077659100000000 ] - [ -0.0007509000000000, -0.0003769700000000, 0.0077659100000000 ] - [ 0.0084372300000000, -0.0043779800000000, 0.0100303200000000 ] - [ 0.0016922900000000, 0.0000000000000000, -0.0044493700000000 ] - [ 0.0014859200000000, -0.0002603900000000, -0.0068496900000000 ] - [ 0.0011104000000000, 0.0000000000000000, -0.0076112000000000 ] - [ 0.0014859200000000, 0.0002603900000000, -0.0068496900000000 ] - [ -0.1995332800000000, 0.0000000000000000, 0.0422944400000000 ] - [ -0.0092879200000000, 0.0020951200000000, -0.0081087100000000 ] - [ 0.0012200100000000, 0.0000000000000000, -0.0003769100000000 ] - [ -0.0092879200000000, -0.0020951200000000, -0.0081087100000000 ] - [ -0.0172633900000000, 0.0157250200000000, -0.0107634900000000 ] - [ -0.0059148800000000, 0.0003726200000000, -0.0018942500000000 ] - [ -0.0059148800000000, -0.0003726200000000, -0.0018942500000000 ] - [ -0.0172633900000000, -0.0157250200000000, -0.0107634900000000 ] - [ 0.0075224800000000, 0.0000000000000000, -0.0013191100000000 ] - [ 0.0063337300000000, -0.0003828700000000, -0.0009239300000000 ] - [ 0.0052327900000000, 0.0000000000000000, -0.0009056800000000 ] - [ 0.0063337300000000, 0.0003828700000000, -0.0009239300000000 ] - [ -0.0026049900000000, 0.0004374800000000, 0.0007114300000000 ] - [ -0.0029456600000000, -0.0000852700000000, 0.0009637500000000 ] - [ -0.0029456600000000, 0.0000852700000000, 0.0009637500000000 ] - [ -0.0026049900000000, -0.0004374800000000, 0.0007114300000000 ] - [ 0.0176157200000000, -0.0058730400000000, 0.0036249600000000 ] - [ -0.0005271100000000, 0.0009018600000000, -0.0011287200000000 ] - [ -0.0005271100000000, -0.0009018600000000, -0.0011287200000000 ] - [ 0.0176157200000000, 0.0058730400000000, 0.0036249600000000 ] - [ 0.0392781400000000, 0.0000000000000000, -0.0157935700000000 ] - [ 0.0050554100000000, -0.0014680500000000, 0.0031604300000000 ] - [ 0.0022875100000000, 0.0000000000000000, 0.0015556900000000 ] - [ 0.0050554100000000, 0.0014680500000000, 0.0031604300000000 ] - [ -0.0029021800000000, -0.0003253200000000, 0.0009941400000000 ] - [ -0.0024039300000000, -0.0001011100000000, 0.0008310900000000 ] - [ -0.0024039300000000, 0.0001011100000000, 0.0008310900000000 ] - [ -0.0029021800000000, 0.0003253200000000, 0.0009941400000000 ] - [ 0.0011159900000000, 0.0000000000000000, -0.0005376700000000 ] - [ 0.0007452100000000, 0.0003527700000000, -0.0004942700000000 ] - [ 0.0011944800000000, 0.0000000000000000, -0.0010114500000000 ] - [ 0.0007452100000000, -0.0003527700000000, -0.0004942700000000 ] - [ -0.0022969100000000, 0.0006162600000000, 0.0024780200000000 ] - [ -0.0005973300000000, 0.0000106000000000, 0.0013938400000000 ] - [ -0.0005973300000000, -0.0000106000000000, 0.0013938400000000 ] - [ -0.0022969100000000, -0.0006162600000000, 0.0024780200000000 ] - [ -0.0011597600000000, 0.0000000000000000, -0.0002460500000000 ] - [ -0.0007891200000000, -0.0002428500000000, -0.0008938800000000 ] - [ -0.0005782600000000, 0.0000000000000000, -0.0010702600000000 ] - [ -0.0007891200000000, 0.0002428500000000, -0.0008938800000000 ] - [ 0.0216426200000000, 0.0135267500000000, 0.0121065200000000 ] - [ 0.0008772400000000, -0.0024988400000000, -0.0008244200000000 ] - [ 0.0008772400000000, 0.0024988400000000, -0.0008244200000000 ] - [ 0.0216426200000000, -0.0135267500000000, 0.0121065200000000 ] - [ 0.0056326500000000, 0.0000000000000000, 0.0054144500000000 ] - [ 0.0011754000000000, 0.0009525800000000, 0.0005385000000000 ] - [ 0.0004375700000000, 0.0000000000000000, 0.0013925800000000 ] - [ 0.0011754000000000, -0.0009525800000000, 0.0005385000000000 ] - [ 0.0692714300000000, 0.0000000000000000, -0.0343231800000000 ] - [ -0.0029455400000000, 0.0020828900000000, 0.0022367300000000 ] - [ -0.0044969700000000, 0.0000000000000000, 0.0013652600000000 ] - [ -0.0029455400000000, -0.0020828900000000, 0.0022367300000000 ] - [ 0.0031183200000000, -0.0023374400000000, 0.0015852200000000 ] - [ 0.0058492700000000, -0.0002703500000000, -0.0018611100000000 ] - [ 0.0058492700000000, 0.0002703500000000, -0.0018611100000000 ] - [ 0.0031183200000000, 0.0023374400000000, 0.0015852200000000 ] - [ -0.0076065800000000, 0.0000000000000000, -0.0033129700000000 ] - [ -0.0065314800000000, -0.0010760700000000, -0.0032416100000000 ] - [ -0.0062634600000000, 0.0000000000000000, -0.0022576300000000 ] - [ -0.0065314800000000, 0.0010760700000000, -0.0032416100000000 ] - [ 0.0058071100000000, 0.0001473100000000, 0.0011048000000000 ] - [ 0.0055336300000000, 0.0003432200000000, 0.0012152900000000 ] - [ 0.0055336300000000, -0.0003432200000000, 0.0012152900000000 ] - [ 0.0058071100000000, -0.0001473100000000, 0.0011048000000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0112680900000000, 0.0079849000000000, 0.0053588600000000 ] - [ 0.0006052500000000, 0.0005061400000000, 0.0083535900000000 ] - [ 0.0006052500000000, -0.0005061400000000, 0.0083535900000000 ] - [ -0.0112680900000000, -0.0079849000000000, 0.0053588600000000 ] - [ -0.0052523200000000, 0.0000000000000000, -0.0063594200000000 ] - [ -0.0016960000000000, -0.0006562100000000, -0.0081580800000000 ] - [ -0.0009890000000000, 0.0000000000000000, -0.0079617300000000 ] - [ -0.0016960000000000, 0.0006562100000000, -0.0081580800000000 ] - [ -0.0005586000000000, -0.0005568100000000, -0.0119681600000000 ] - [ 0.0008127900000000, -0.0003713800000000, -0.0084660700000000 ] - [ 0.0008127900000000, 0.0003713800000000, -0.0084660700000000 ] - [ -0.0005586000000000, 0.0005568100000000, -0.0119681600000000 ] - [ 0.0000282600000000, 0.0000000000000000, 0.0091326000000000 ] - [ -0.0005109000000000, 0.0000421000000000, 0.0084377200000000 ] - [ -0.0004782800000000, 0.0000000000000000, 0.0081564400000000 ] - [ -0.0005109000000000, -0.0000421000000000, 0.0084377200000000 ] - [ -0.0010641000000000, 0.0056691700000000, -0.0001433700000000 ] - [ -0.0012593600000000, 0.0004242300000000, -0.0079588700000000 ] - [ -0.0012593600000000, -0.0004242300000000, -0.0079588700000000 ] - [ -0.0010641000000000, -0.0056691700000000, -0.0001433700000000 ] - [ 0.0009673600000000, 0.0000000000000000, 0.0086039800000000 ] - [ 0.0011674600000000, -0.0005084200000000, 0.0081124200000000 ] - [ 0.0011484900000000, 0.0000000000000000, 0.0076666000000000 ] - [ 0.0011674600000000, 0.0005084200000000, 0.0081124200000000 ] - [ -0.0108688500000000, -0.0043160500000000, 0.0055062900000000 ] - [ -0.0017440900000000, -0.0003764100000000, 0.0077388700000000 ] - [ -0.0017440900000000, 0.0003764100000000, 0.0077388700000000 ] - [ -0.0108688500000000, 0.0043160500000000, 0.0055062900000000 ] - [ 0.0008063700000000, 0.0000000000000000, -0.0110675800000000 ] - [ 0.0010107400000000, 0.0002577800000000, -0.0086475300000000 ] - [ 0.0013806700000000, 0.0000000000000000, -0.0078911500000000 ] - [ 0.0010107400000000, -0.0002577800000000, -0.0086475300000000 ] - [ 0.2106952900000000, 0.0000000000000000, -0.0420016900000000 ] - [ 0.0174161000000000, -0.0022102700000000, 0.0101234100000000 ] - [ 0.0068969000000000, 0.0000000000000000, 0.0023990100000000 ] - [ 0.0174161000000000, 0.0022102700000000, 0.0101234100000000 ] - [ 0.0090821700000000, -0.0157193500000000, 0.0087559100000000 ] - [ -0.0022000000000000, -0.0003770200000000, -0.0001279600000000 ] - [ -0.0022000000000000, 0.0003770200000000, -0.0001279600000000 ] - [ 0.0090821700000000, 0.0157193500000000, 0.0087559100000000 ] - [ 0.0006000000000000, 0.0000000000000000, -0.0006930600000000 ] - [ 0.0017764500000000, 0.0003859800000000, -0.0010942100000000 ] - [ 0.0028788400000000, 0.0000000000000000, -0.0011140300000000 ] - [ 0.0017764500000000, -0.0003859800000000, -0.0010942100000000 ] - [ -0.0055092100000000, -0.0004378800000000, 0.0013134400000000 ] - [ -0.0051655700000000, 0.0000868800000000, 0.0010610300000000 ] - [ -0.0051655700000000, -0.0000868800000000, 0.0010610300000000 ] - [ -0.0055092100000000, 0.0004378800000000, 0.0013134400000000 ] - [ -0.0210423500000000, 0.0060064500000000, -0.0058304500000000 ] - [ -0.0029279100000000, -0.0008934600000000, -0.0009808300000000 ] - [ -0.0029279100000000, 0.0008934600000000, -0.0009808300000000 ] - [ -0.0210423500000000, -0.0060064500000000, -0.0058304500000000 ] - [ -0.0344118900000000, 0.0000000000000000, 0.0162359800000000 ] - [ -0.0015839400000000, 0.0014695800000000, -0.0010547800000000 ] - [ 0.0011691900000000, 0.0000000000000000, 0.0005537500000000 ] - [ -0.0015839400000000, -0.0014695800000000, -0.0010547800000000 ] - [ -0.0005464600000000, 0.0003229800000000, 0.0011140500000000 ] - [ -0.0010478200000000, 0.0001007400000000, 0.0012782800000000 ] - [ -0.0010478200000000, -0.0001007400000000, 0.0012782800000000 ] - [ -0.0005464600000000, -0.0003229800000000, 0.0011140500000000 ] - [ 0.0023367300000000, 0.0000000000000000, -0.0015756400000000 ] - [ 0.0027090500000000, -0.0003560800000000, -0.0016191900000000 ] - [ 0.0022567700000000, 0.0000000000000000, -0.0011003400000000 ] - [ 0.0027090500000000, 0.0003560800000000, -0.0016191900000000 ] - [ 0.0024708800000000, -0.0006077300000000, -0.0001001600000000 ] - [ 0.0007834800000000, -0.0000102700000000, 0.0009907300000000 ] - [ 0.0007834800000000, 0.0000102700000000, 0.0009907300000000 ] - [ 0.0024708800000000, 0.0006077300000000, -0.0001001600000000 ] - [ 0.0009769300000000, 0.0000000000000000, -0.0021398500000000 ] - [ 0.0006038200000000, 0.0002426300000000, -0.0014918900000000 ] - [ 0.0003922300000000, 0.0000000000000000, -0.0013150000000000 ] - [ 0.0006038200000000, -0.0002426300000000, -0.0014918900000000 ] - [ -0.0214217100000000, -0.0130261900000000, -0.0141668300000000 ] - [ -0.0006909400000000, 0.0025169100000000, -0.0015586300000000 ] - [ -0.0006909400000000, -0.0025169100000000, -0.0015586300000000 ] - [ -0.0214217100000000, 0.0130261900000000, -0.0141668300000000 ] - [ -0.0058164500000000, 0.0000000000000000, -0.0030320000000000 ] - [ -0.0013610900000000, -0.0009429600000000, 0.0018371000000000 ] - [ -0.0006248300000000, 0.0000000000000000, 0.0009912000000000 ] - [ -0.0013610900000000, 0.0009429600000000, 0.0018371000000000 ] - [ -0.0851880500000000, 0.0000000000000000, 0.0407533100000000 ] - [ -0.0086799100000000, -0.0021020500000000, 0.0013162700000000 ] - [ -0.0071137300000000, 0.0000000000000000, 0.0021832300000000 ] - [ -0.0086799100000000, 0.0021020500000000, 0.0013162700000000 ] - [ 0.0084915800000000, 0.0023443100000000, -0.0051393200000000 ] - [ 0.0057562100000000, 0.0002719500000000, -0.0016873500000000 ] - [ 0.0057562100000000, -0.0002719500000000, -0.0016873500000000 ] - [ 0.0084915800000000, -0.0023443100000000, -0.0051393200000000 ] - [ -0.0039992900000000, 0.0000000000000000, -0.0002575100000000 ] - [ -0.0050592600000000, 0.0010666800000000, -0.0003230400000000 ] - [ -0.0053353700000000, 0.0000000000000000, -0.0012954800000000 ] - [ -0.0050592600000000, -0.0010666800000000, -0.0003230400000000 ] - [ 0.0057913100000000, -0.0001517900000000, 0.0024496800000000 ] - [ 0.0060664700000000, -0.0003429900000000, 0.0023332400000000 ] - [ 0.0060664700000000, 0.0003429900000000, 0.0023332400000000 ] - [ 0.0057913100000000, 0.0001517900000000, 0.0024496800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0062996900000000, -0.0010797700000000, 0.0099176200000000 ] - [ -0.0005895300000000, 0.0017652200000000, 0.0076121500000000 ] - [ 0.0019781600000000, 0.0017581100000000, 0.0085213600000000 ] - [ 0.0076730800000000, -0.0010484200000000, 0.0062263800000000 ] - [ -0.0007063900000000, -0.0008657100000000, -0.0080663900000000 ] - [ 0.0000676400000000, -0.0000129600000000, -0.0090216500000000 ] - [ -0.0006988200000000, 0.0009357500000000, -0.0080712100000000 ] - [ -0.0014618800000000, -0.0000095700000000, -0.0071224600000000 ] - [ 0.0043359500000000, -0.0011322400000000, -0.0013441700000000 ] - [ 0.0010045500000000, 0.0010755100000000, -0.0071859900000000 ] - [ 0.0003966900000000, 0.0010786900000000, -0.0089550000000000 ] - [ -0.0029380300000000, -0.0011337600000000, -0.0147960700000000 ] - [ -0.0006989700000000, -0.0005065800000000, 0.0080708300000000 ] - [ -0.0012267400000000, -0.0000867000000000, 0.0074401800000000 ] - [ -0.0007006700000000, 0.0006750900000000, 0.0080708800000000 ] - [ -0.0001729800000000, -0.0000862800000000, 0.0086996200000000 ] - [ -0.0052400700000000, -0.0010789000000000, -0.0032246000000000 ] - [ -0.0015134900000000, 0.0015519200000000, -0.0063409400000000 ] - [ -0.0009760800000000, 0.0015452500000000, -0.0091497400000000 ] - [ 0.0027435000000000, -0.0010508600000000, -0.0122680700000000 ] - [ 0.0012443000000000, -0.0007164500000000, 0.0077501900000000 ] - [ 0.0014887300000000, -0.0000281500000000, 0.0076585700000000 ] - [ 0.0012449300000000, 0.0007449800000000, 0.0077501600000000 ] - [ 0.0010007400000000, -0.0000254900000000, 0.0078420300000000 ] - [ 0.0089306500000000, -0.0010105700000000, 0.0078793800000000 ] - [ -0.0002168700000000, 0.0014679200000000, 0.0080345700000000 ] - [ -0.0022703500000000, 0.0014691100000000, 0.0074721200000000 ] - [ -0.0114033100000000, -0.0010003000000000, 0.0076274300000000 ] - [ 0.0012485800000000, -0.0031874100000000, -0.0077475400000000 ] - [ -0.0007332500000000, 0.0011308500000000, -0.0103753100000000 ] - [ 0.0012437600000000, 0.0010205100000000, -0.0077522400000000 ] - [ 0.0032222300000000, 0.0011336700000000, -0.0051213600000000 ] - [ 0.0031525900000000, -0.2333993600000000, 0.0007149800000000 ] - [ 0.0019148100000000, 0.0488378700000000, 0.0018259200000000 ] - [ 0.0040552600000000, 0.0076243300000000, 0.0010134000000000 ] - [ 0.0062216400000000, 0.0481064800000000, 0.0002147400000000 ] - [ 0.0116990800000000, -0.0033874300000000, -0.0245918000000000 ] - [ -0.0036831200000000, 0.0063284400000000, -0.0035435300000000 ] - [ -0.0044329000000000, 0.0063134100000000, 0.0014980300000000 ] - [ -0.0197442200000000, -0.0033332800000000, 0.0224261400000000 ] - [ 0.0040548000000000, -0.0032974600000000, -0.0010107300000000 ] - [ 0.0044364600000000, 0.0006417600000000, -0.0000261400000000 ] - [ 0.0040546100000000, 0.0019985600000000, -0.0010092800000000 ] - [ 0.0036678300000000, 0.0006423700000000, -0.0019954000000000 ] - [ -0.0036178300000000, -0.0012035200000000, 0.0013741800000000 ] - [ -0.0041411900000000, 0.0011826700000000, 0.0009526600000000 ] - [ -0.0039692500000000, 0.0011841500000000, 0.0010716800000000 ] - [ -0.0044932500000000, -0.0012033900000000, 0.0006515700000000 ] - [ -0.0111941300000000, 0.0239225500000000, -0.0076657800000000 ] - [ -0.0011999500000000, -0.0048747200000000, -0.0005251000000000 ] - [ -0.0022482400000000, -0.0048685600000000, -0.0015791400000000 ] - [ 0.0071152800000000, 0.0225448400000000, 0.0044258500000000 ] - [ 0.0015959800000000, 0.0203408800000000, 0.0011779900000000 ] - [ -0.0033101500000000, -0.0059739100000000, 0.0060050000000000 ] - [ 0.0017255900000000, -0.0033082400000000, 0.0010557000000000 ] - [ 0.0067546200000000, -0.0059459400000000, -0.0038621700000000 ] - [ -0.0025581300000000, 0.0007547800000000, 0.0003885200000000 ] - [ -0.0018309800000000, -0.0007559100000000, 0.0007086000000000 ] - [ -0.0016204800000000, -0.0007584800000000, 0.0014009000000000 ] - [ -0.0008925100000000, 0.0007547300000000, 0.0017209900000000 ] - [ 0.0017279100000000, 0.0015737300000000, -0.0010570600000000 ] - [ 0.0017852300000000, -0.0002391800000000, -0.0013066200000000 ] - [ 0.0017266800000000, -0.0010599300000000, -0.0010566800000000 ] - [ 0.0016678800000000, -0.0002401900000000, -0.0008048700000000 ] - [ 0.0005802100000000, 0.0010385900000000, 0.0001499400000000 ] - [ 0.0002156200000000, -0.0009541200000000, 0.0008081000000000 ] - [ -0.0000263100000000, -0.0009551400000000, 0.0015738700000000 ] - [ -0.0003930900000000, 0.0010350500000000, 0.0022332200000000 ] - [ -0.0000917500000000, 0.0005324000000000, -0.0011942600000000 ] - [ -0.0001928300000000, 0.0000751600000000, -0.0006792000000000 ] - [ -0.0000931000000000, -0.0006756400000000, -0.0011924100000000 ] - [ 0.0000067300000000, 0.0000746700000000, -0.0017064000000000 ] - [ 0.0143122200000000, 0.0450022300000000, 0.0175698900000000 ] - [ -0.0004079900000000, -0.0059451300000000, -0.0018985300000000 ] - [ 0.0005872000000000, -0.0059450400000000, -0.0004942700000000 ] - [ -0.0128143600000000, 0.0427589100000000, -0.0183959100000000 ] - [ -0.0001046100000000, 0.0067247700000000, 0.0011853000000000 ] - [ 0.0000445900000000, -0.0029636600000000, 0.0054065700000000 ] - [ -0.0000928800000000, -0.0019735300000000, 0.0011937500000000 ] - [ -0.0002229600000000, -0.0029685900000000, -0.0030193200000000 ] - [ -0.0055574500000000, 0.0136999000000000, 0.0016387700000000 ] - [ 0.0013390000000000, -0.0042791200000000, -0.0021303300000000 ] - [ -0.0057977900000000, -0.0024959900000000, 0.0017730500000000 ] - [ -0.0128992000000000, -0.0042419800000000, 0.0056570100000000 ] - [ 0.0054263900000000, 0.0020208000000000, -0.0014943000000000 ] - [ 0.0047352600000000, -0.0017399600000000, -0.0008446400000000 ] - [ 0.0068600500000000, -0.0017405700000000, -0.0026968200000000 ] - [ 0.0061778900000000, 0.0020091000000000, -0.0020614300000000 ] - [ -0.0057993400000000, 0.0034048700000000, -0.0017783200000000 ] - [ -0.0067398800000000, -0.0009521600000000, -0.0026211300000000 ] - [ -0.0057992900000000, -0.0017036700000000, -0.0017757000000000 ] - [ -0.0048491100000000, -0.0009580100000000, -0.0009238700000000 ] - [ 0.0057131100000000, 0.0013814300000000, 0.0014568100000000 ] - [ 0.0056048900000000, -0.0014191500000000, 0.0024766600000000 ] - [ 0.0059965000000000, -0.0014224600000000, 0.0010687500000000 ] - [ 0.0058859800000000, 0.0013815600000000, 0.0020918500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011150100000000, 0.0024727200000000, 0.0024056200000000 ] - [ 0.0009706100000000, 0.0002786900000000, 0.0075066100000000 ] - [ 0.0009706100000000, -0.0002786900000000, 0.0075066100000000 ] - [ 0.0011150100000000, -0.0024727200000000, 0.0024056200000000 ] - [ -0.0056011000000000, 0.0000000000000000, -0.0063800800000000 ] - [ -0.0018609600000000, -0.0007661200000000, -0.0083545100000000 ] - [ -0.0010106100000000, 0.0000000000000000, -0.0082147600000000 ] - [ -0.0018609600000000, 0.0007661200000000, -0.0083545100000000 ] - [ 0.0032269000000000, 0.0013428900000000, -0.0035086700000000 ] - [ 0.0008857100000000, 0.0004027200000000, -0.0075536100000000 ] - [ 0.0008857100000000, -0.0004027200000000, -0.0075536100000000 ] - [ 0.0032269000000000, -0.0013428900000000, -0.0035086700000000 ] - [ -0.0000793600000000, 0.0000000000000000, 0.0111745700000000 ] - [ -0.0007314400000000, -0.0001581300000000, 0.0095673100000000 ] - [ -0.0008436400000000, 0.0000000000000000, 0.0086263700000000 ] - [ -0.0007314400000000, 0.0001581300000000, 0.0095673100000000 ] - [ -0.0060300300000000, 0.0048892600000000, -0.0005605000000000 ] - [ -0.0014805900000000, 0.0004216400000000, -0.0076650100000000 ] - [ -0.0014805900000000, -0.0004216400000000, -0.0076650100000000 ] - [ -0.0060300300000000, -0.0048892600000000, -0.0005605000000000 ] - [ 0.0006959700000000, 0.0000000000000000, 0.0102494600000000 ] - [ 0.0010075000000000, -0.0005719600000000, 0.0091579400000000 ] - [ 0.0011477300000000, 0.0000000000000000, 0.0081981700000000 ] - [ 0.0010075000000000, 0.0005719600000000, 0.0091579400000000 ] - [ 0.0030516500000000, -0.0002418800000000, 0.0037983500000000 ] - [ -0.0009762800000000, 0.0003105000000000, 0.0068946400000000 ] - [ -0.0009762800000000, -0.0003105000000000, 0.0068946400000000 ] - [ 0.0030516500000000, 0.0002418800000000, 0.0037983500000000 ] - [ 0.0056488900000000, 0.0000000000000000, -0.0035185800000000 ] - [ 0.0027819300000000, -0.0012487400000000, -0.0060997000000000 ] - [ 0.0015911500000000, 0.0000000000000000, -0.0075051700000000 ] - [ 0.0027819300000000, 0.0012487400000000, -0.0060997000000000 ] - [ 0.0458272400000000, 0.0000000000000000, -0.1930676600000000 ] - [ -0.0050544900000000, -0.0008386800000000, -0.0218055300000000 ] - [ 0.0026714400000000, 0.0000000000000000, -0.0032440400000000 ] - [ -0.0050544900000000, 0.0008386800000000, -0.0218055300000000 ] - [ -0.0137426300000000, -0.0233593800000000, 0.0272021800000000 ] - [ -0.0049394100000000, -0.0025171900000000, -0.0003358200000000 ] - [ -0.0049394100000000, 0.0025171900000000, -0.0003358200000000 ] - [ -0.0137426300000000, 0.0233593800000000, 0.0272021800000000 ] - [ 0.0043690400000000, 0.0000000000000000, 0.0009698300000000 ] - [ 0.0039686400000000, 0.0009863100000000, 0.0000138500000000 ] - [ 0.0039524000000000, 0.0000000000000000, -0.0005098600000000 ] - [ 0.0039686400000000, -0.0009863100000000, 0.0000138500000000 ] - [ -0.0037582900000000, -0.0003590100000000, 0.0033096800000000 ] - [ -0.0040087600000000, 0.0000613500000000, 0.0020374100000000 ] - [ -0.0040087600000000, -0.0000613500000000, 0.0020374100000000 ] - [ -0.0037582900000000, 0.0003590100000000, 0.0033096800000000 ] - [ 0.0038082300000000, -0.0038914300000000, 0.0244101500000000 ] - [ -0.0020711300000000, 0.0027867600000000, 0.0002310100000000 ] - [ -0.0020711300000000, -0.0027867600000000, 0.0002310100000000 ] - [ 0.0038082300000000, 0.0038914300000000, 0.0244101500000000 ] - [ -0.0184381000000000, 0.0000000000000000, 0.0295477800000000 ] - [ 0.0050265100000000, 0.0046921300000000, 0.0041099500000000 ] - [ 0.0022562300000000, 0.0000000000000000, 0.0017444000000000 ] - [ 0.0050265100000000, -0.0046921300000000, 0.0041099500000000 ] - [ -0.0021787700000000, -0.0000748300000000, -0.0002389700000000 ] - [ -0.0016331100000000, -0.0001290900000000, 0.0005783600000000 ] - [ -0.0016331100000000, 0.0001290900000000, 0.0005783600000000 ] - [ -0.0021787700000000, 0.0000748300000000, -0.0002389700000000 ] - [ 0.0018426900000000, 0.0000000000000000, -0.0027443200000000 ] - [ 0.0019209500000000, -0.0005069700000000, -0.0022586700000000 ] - [ 0.0016679000000000, 0.0000000000000000, -0.0015805000000000 ] - [ 0.0019209500000000, 0.0005069700000000, -0.0022586700000000 ] - [ 0.0010927900000000, -0.0006966000000000, 0.0014415700000000 ] - [ 0.0000774700000000, -0.0002923600000000, 0.0012261000000000 ] - [ 0.0000774700000000, 0.0002923600000000, 0.0012261000000000 ] - [ 0.0010927900000000, 0.0006966000000000, 0.0014415700000000 ] - [ -0.0001715100000000, 0.0000000000000000, -0.0029860000000000 ] - [ -0.0002028700000000, 0.0002812100000000, -0.0018691400000000 ] - [ -0.0000863100000000, 0.0000000000000000, -0.0014030600000000 ] - [ -0.0002028700000000, -0.0002812100000000, -0.0018691400000000 ] - [ 0.0127254600000000, 0.0158312600000000, 0.0279428100000000 ] - [ 0.0001570300000000, -0.0028652700000000, -0.0001159500000000 ] - [ 0.0001570300000000, 0.0028652700000000, -0.0001159500000000 ] - [ 0.0127254600000000, -0.0158312600000000, 0.0279428100000000 ] - [ -0.0028007600000000, 0.0000000000000000, -0.0079101500000000 ] - [ -0.0002754300000000, 0.0030728900000000, -0.0012152600000000 ] - [ -0.0001660700000000, 0.0000000000000000, 0.0008359100000000 ] - [ -0.0002754300000000, -0.0030728900000000, -0.0012152600000000 ] - [ -0.0422347400000000, 0.0000000000000000, 0.0352240500000000 ] - [ -0.0047683400000000, -0.0016116400000000, 0.0052501600000000 ] - [ -0.0059567900000000, 0.0000000000000000, 0.0025866700000000 ] - [ -0.0047683400000000, 0.0016116400000000, 0.0052501600000000 ] - [ 0.0094999900000000, 0.0021181900000000, -0.0060734900000000 ] - [ 0.0065148800000000, 0.0003299100000000, -0.0024620400000000 ] - [ 0.0065148800000000, -0.0003299100000000, -0.0024620400000000 ] - [ 0.0094999900000000, -0.0021181900000000, -0.0060734900000000 ] - [ -0.0072449100000000, 0.0000000000000000, -0.0020420800000000 ] - [ -0.0066669500000000, -0.0005175100000000, -0.0011797200000000 ] - [ -0.0060099500000000, 0.0000000000000000, -0.0014137400000000 ] - [ -0.0066669500000000, 0.0005175100000000, -0.0011797200000000 ] - [ 0.0059388900000000, 0.0007513800000000, 0.0001548500000000 ] - [ 0.0060959100000000, 0.0003434800000000, 0.0007394400000000 ] - [ 0.0060959100000000, -0.0003434800000000, 0.0007394400000000 ] - [ 0.0059388900000000, -0.0007513800000000, 0.0001548500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003130900000000, -0.0024914500000000, 0.0137430600000000 ] - [ 0.0004323400000000, -0.0002803400000000, 0.0086383500000000 ] - [ 0.0004323400000000, 0.0002803400000000, 0.0086383500000000 ] - [ 0.0003130900000000, 0.0024914500000000, 0.0137430600000000 ] - [ 0.0041931500000000, 0.0000000000000000, -0.0097552100000000 ] - [ 0.0004623100000000, 0.0007663100000000, -0.0077902300000000 ] - [ -0.0003914800000000, 0.0000000000000000, -0.0079323400000000 ] - [ 0.0004623100000000, -0.0007663100000000, -0.0077902300000000 ] - [ -0.0018064200000000, -0.0013206600000000, -0.0126324900000000 ] - [ 0.0005188200000000, -0.0004036700000000, -0.0085994300000000 ] - [ 0.0005188200000000, 0.0004036700000000, -0.0085994300000000 ] - [ -0.0018064200000000, 0.0013206600000000, -0.0126324900000000 ] - [ -0.0013311800000000, 0.0000000000000000, 0.0049628800000000 ] - [ -0.0006720400000000, 0.0001618600000000, 0.0065800300000000 ] - [ -0.0005611300000000, 0.0000000000000000, 0.0075219200000000 ] - [ -0.0006720400000000, -0.0001618600000000, 0.0065800300000000 ] - [ 0.0034871400000000, -0.0048511900000000, -0.0149282700000000 ] - [ -0.0010083900000000, -0.0004194400000000, -0.0078521600000000 ] - [ -0.0010083900000000, 0.0004194400000000, -0.0078521600000000 ] - [ 0.0034871400000000, 0.0048511900000000, -0.0149282700000000 ] - [ 0.0017995700000000, 0.0000000000000000, 0.0052570000000000 ] - [ 0.0014831300000000, 0.0005734800000000, 0.0063520500000000 ] - [ 0.0013422500000000, 0.0000000000000000, 0.0073121600000000 ] - [ 0.0014831300000000, -0.0005734800000000, 0.0063520500000000 ] - [ -0.0055716400000000, 0.0002359500000000, 0.0116994100000000 ] - [ -0.0015159400000000, -0.0003126500000000, 0.0086153600000000 ] - [ -0.0015159400000000, 0.0003126500000000, 0.0086153600000000 ] - [ -0.0055716400000000, -0.0002359500000000, 0.0116994100000000 ] - [ -0.0031962700000000, 0.0000000000000000, -0.0120136300000000 ] - [ -0.0002927200000000, 0.0012501100000000, -0.0094015700000000 ] - [ 0.0008986200000000, 0.0000000000000000, -0.0080043300000000 ] - [ -0.0002927200000000, -0.0012501100000000, -0.0094015700000000 ] - [ -0.0384090500000000, 0.0000000000000000, 0.1972300000000000 ] - [ 0.0131848000000000, 0.0007747100000000, 0.0238397400000000 ] - [ 0.0054541700000000, 0.0000000000000000, 0.0052518100000000 ] - [ 0.0131848000000000, -0.0007747100000000, 0.0238397400000000 ] - [ 0.0057708600000000, 0.0236623800000000, -0.0294922700000000 ] - [ -0.0031814400000000, 0.0025259700000000, -0.0016665200000000 ] - [ -0.0031814400000000, -0.0025259700000000, -0.0016665200000000 ] - [ 0.0057708600000000, -0.0236623800000000, -0.0294922700000000 ] - [ 0.0037485400000000, 0.0000000000000000, -0.0029810000000000 ] - [ 0.0041464700000000, -0.0009796700000000, -0.0020227900000000 ] - [ 0.0041661200000000, 0.0000000000000000, -0.0014969300000000 ] - [ 0.0041464700000000, 0.0009796700000000, -0.0020227900000000 ] - [ -0.0043660700000000, 0.0003630500000000, -0.0013016700000000 ] - [ -0.0041150000000000, -0.0000566700000000, -0.0000328200000000 ] - [ -0.0041150000000000, 0.0000566700000000, -0.0000328200000000 ] - [ -0.0043660700000000, -0.0003630500000000, -0.0013016700000000 ] - [ -0.0075741600000000, 0.0046989400000000, -0.0270623500000000 ] - [ -0.0013660100000000, -0.0027851300000000, -0.0023369800000000 ] - [ -0.0013660100000000, 0.0027851300000000, -0.0023369800000000 ] - [ -0.0075741600000000, -0.0046989400000000, -0.0270623500000000 ] - [ 0.0234773200000000, 0.0000000000000000, -0.0287647800000000 ] - [ -0.0015812600000000, -0.0047035600000000, -0.0020142200000000 ] - [ 0.0011837100000000, 0.0000000000000000, 0.0003550900000000 ] - [ -0.0015812600000000, 0.0047035600000000, -0.0020142200000000 ] - [ -0.0012603700000000, 0.0000704400000000, 0.0023404500000000 ] - [ -0.0018019200000000, 0.0001288200000000, 0.0015240400000000 ] - [ -0.0018019200000000, -0.0001288200000000, 0.0015240400000000 ] - [ -0.0012603700000000, -0.0000704400000000, 0.0023404500000000 ] - [ 0.0016048800000000, 0.0000000000000000, 0.0006366500000000 ] - [ 0.0015220100000000, 0.0005004900000000, 0.0001503800000000 ] - [ 0.0017687400000000, 0.0000000000000000, -0.0005258200000000 ] - [ 0.0015220100000000, -0.0005004900000000, 0.0001503800000000 ] - [ -0.0009058400000000, 0.0007012800000000, 0.0009572700000000 ] - [ 0.0001016200000000, 0.0002928300000000, 0.0011636900000000 ] - [ 0.0001016200000000, -0.0002928300000000, 0.0011636900000000 ] - [ -0.0009058400000000, -0.0007012800000000, 0.0009572700000000 ] - [ -0.0000025800000000, 0.0000000000000000, 0.0005889300000000 ] - [ 0.0000257000000000, -0.0002835800000000, -0.0005257700000000 ] - [ -0.0000916500000000, 0.0000000000000000, -0.0009885500000000 ] - [ 0.0000257000000000, 0.0002835800000000, -0.0005257700000000 ] - [ -0.0121140400000000, -0.0150188100000000, -0.0300840700000000 ] - [ 0.0000207800000000, 0.0028779100000000, -0.0022734000000000 ] - [ 0.0000207800000000, -0.0028779100000000, -0.0022734000000000 ] - [ -0.0121140400000000, 0.0150188100000000, -0.0300840700000000 ] - [ 0.0026141900000000, 0.0000000000000000, 0.0103517300000000 ] - [ 0.0001023900000000, -0.0030816600000000, 0.0035941500000000 ] - [ -0.0000117300000000, 0.0000000000000000, 0.0015515500000000 ] - [ 0.0001023900000000, 0.0030816600000000, 0.0035941500000000 ] - [ 0.0293085400000000, 0.0000000000000000, -0.0313908500000000 ] - [ -0.0068574500000000, 0.0016081300000000, -0.0016835100000000 ] - [ -0.0056607000000000, 0.0000000000000000, 0.0009734800000000 ] - [ -0.0068574500000000, -0.0016081300000000, -0.0016835100000000 ] - [ 0.0021021400000000, -0.0021167800000000, 0.0025119400000000 ] - [ 0.0050996900000000, -0.0003300500000000, -0.0010959200000000 ] - [ 0.0050996900000000, 0.0003300500000000, -0.0010959200000000 ] - [ 0.0021021400000000, 0.0021167800000000, 0.0025119400000000 ] - [ -0.0043778000000000, 0.0000000000000000, -0.0015133500000000 ] - [ -0.0049461300000000, 0.0005153900000000, -0.0023645500000000 ] - [ -0.0056059300000000, 0.0000000000000000, -0.0021391900000000 ] - [ -0.0049461300000000, -0.0005153900000000, -0.0023645500000000 ] - [ 0.0056795800000000, -0.0007600800000000, 0.0033999900000000 ] - [ 0.0055238600000000, -0.0003438200000000, 0.0028074800000000 ] - [ 0.0055238600000000, 0.0003438200000000, 0.0028074800000000 ] - [ 0.0056795800000000, 0.0007600800000000, 0.0033999900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015593100000000, 0.0000000000000000, 0.0109165700000000 ] - [ 0.0005053600000000, 0.0009198800000000, 0.0080775800000000 ] - [ 0.0008115400000000, 0.0000000000000000, 0.0081565100000000 ] - [ 0.0005053600000000, -0.0009198800000000, 0.0080775800000000 ] - [ -0.0030109000000000, -0.0001289500000000, -0.0076178700000000 ] - [ -0.0030109000000000, 0.0001289500000000, -0.0076178700000000 ] - [ -0.0012113400000000, -0.0002425900000000, -0.0080592700000000 ] - [ -0.0012113400000000, 0.0002425900000000, -0.0080592700000000 ] - [ -0.0002381700000000, 0.0000000000000000, -0.0094278000000000 ] - [ 0.0006723300000000, -0.0001001700000000, -0.0082669100000000 ] - [ 0.0008016300000000, 0.0000000000000000, -0.0081434600000000 ] - [ 0.0006723300000000, 0.0001001700000000, -0.0082669100000000 ] - [ 0.0000699400000000, 0.0001071000000000, 0.0084971700000000 ] - [ 0.0000699400000000, -0.0001071000000000, 0.0084971700000000 ] - [ -0.0003195200000000, 0.0001352100000000, 0.0081919800000000 ] - [ -0.0003195200000000, -0.0001352100000000, 0.0081919800000000 ] - [ -0.0003298900000000, 0.0000000000000000, -0.0065252200000000 ] - [ -0.0011581800000000, 0.0005224900000000, -0.0072114300000000 ] - [ -0.0012538300000000, 0.0000000000000000, -0.0078668500000000 ] - [ -0.0011581800000000, -0.0005224900000000, -0.0072114300000000 ] - [ 0.0008365800000000, 0.0000585800000000, 0.0083032900000000 ] - [ 0.0008365800000000, -0.0000585800000000, 0.0083032900000000 ] - [ 0.0011293300000000, -0.0001796600000000, 0.0080304000000000 ] - [ 0.0011293300000000, 0.0001796600000000, 0.0080304000000000 ] - [ -0.0038937400000000, 0.0000000000000000, 0.0072423900000000 ] - [ -0.0019221900000000, -0.0003768400000000, 0.0068156300000000 ] - [ -0.0013649700000000, 0.0000000000000000, 0.0075769000000000 ] - [ -0.0019221900000000, 0.0003768400000000, 0.0068156300000000 ] - [ 0.0026894500000000, -0.0005513800000000, -0.0098709000000000 ] - [ 0.0026894500000000, 0.0005513800000000, -0.0098709000000000 ] - [ 0.0015389700000000, 0.0002089200000000, -0.0077880000000000 ] - [ 0.0015389700000000, -0.0002089200000000, -0.0077880000000000 ] - [ 0.0233459400000000, -0.0092885100000000, 0.0067780200000000 ] - [ 0.0233459400000000, 0.0092885100000000, 0.0067780200000000 ] - [ 0.0052585900000000, -0.0005184300000000, 0.0006682100000000 ] - [ 0.0052585900000000, 0.0005184300000000, 0.0006682100000000 ] - [ 0.0334494200000000, 0.0000000000000000, -0.0228456000000000 ] - [ -0.0007228700000000, -0.0050269900000000, 0.0022900500000000 ] - [ -0.0034949400000000, 0.0000000000000000, -0.0004814900000000 ] - [ -0.0007228700000000, 0.0050269900000000, 0.0022900500000000 ] - [ 0.0028809400000000, -0.0008282100000000, -0.0005590500000000 ] - [ 0.0028809400000000, 0.0008282100000000, -0.0005590500000000 ] - [ 0.0033782200000000, 0.0001052400000000, -0.0011021300000000 ] - [ 0.0033782200000000, -0.0001052400000000, -0.0011021300000000 ] - [ -0.0046671600000000, 0.0000000000000000, 0.0008993100000000 ] - [ -0.0050369400000000, 0.0000577900000000, 0.0008196800000000 ] - [ -0.0045869400000000, 0.0000000000000000, 0.0010697900000000 ] - [ -0.0050369400000000, -0.0000577900000000, 0.0008196800000000 ] - [ -0.1024060300000000, 0.0000000000000000, 0.0108173900000000 ] - [ -0.0042517100000000, -0.0004384300000000, -0.0002999000000000 ] - [ -0.0023323100000000, 0.0000000000000000, -0.0009385700000000 ] - [ -0.0042517100000000, 0.0004384300000000, -0.0002999000000000 ] - [ 0.0146768800000000, -0.0176565600000000, -0.0023071800000000 ] - [ 0.0146768800000000, 0.0176565600000000, -0.0023071800000000 ] - [ 0.0013192700000000, 0.0010367600000000, 0.0010596400000000 ] - [ 0.0013192700000000, -0.0010367600000000, 0.0010596400000000 ] - [ -0.0008524400000000, 0.0000000000000000, 0.0006604700000000 ] - [ -0.0014143400000000, 0.0000105200000000, 0.0010333400000000 ] - [ -0.0013888000000000, 0.0000000000000000, 0.0010951300000000 ] - [ -0.0014143400000000, -0.0000105200000000, 0.0010333400000000 ] - [ 0.0018286000000000, 0.0000838100000000, -0.0012950500000000 ] - [ 0.0018286000000000, -0.0000838100000000, -0.0012950500000000 ] - [ 0.0020641100000000, -0.0001798600000000, -0.0010223100000000 ] - [ 0.0020641100000000, 0.0001798600000000, -0.0010223100000000 ] - [ 0.0010702100000000, 0.0000000000000000, -0.0016377200000000 ] - [ 0.0005391300000000, -0.0002515600000000, 0.0010585100000000 ] - [ 0.0003374200000000, 0.0000000000000000, 0.0011586200000000 ] - [ 0.0005391300000000, 0.0002515600000000, 0.0010585100000000 ] - [ 0.0007775900000000, -0.0000513300000000, -0.0013122500000000 ] - [ 0.0007775900000000, 0.0000513300000000, -0.0013122500000000 ] - [ 0.0002383800000000, -0.0000196400000000, -0.0013661300000000 ] - [ 0.0002383800000000, 0.0000196400000000, -0.0013661300000000 ] - [ 0.0041998600000000, 0.0000000000000000, 0.0120396700000000 ] - [ -0.0000233700000000, 0.0013791700000000, -0.0002647500000000 ] - [ -0.0001705700000000, 0.0000000000000000, -0.0010738100000000 ] - [ -0.0000233700000000, -0.0013791700000000, -0.0002647500000000 ] - [ -0.0025702400000000, -0.0013910800000000, -0.0009430800000000 ] - [ -0.0025702400000000, 0.0013910800000000, -0.0009430800000000 ] - [ -0.0005313300000000, 0.0003210100000000, 0.0009203900000000 ] - [ -0.0005313300000000, -0.0003210100000000, 0.0009203900000000 ] - [ -0.0051484600000000, 0.0038209200000000, -0.0039339200000000 ] - [ -0.0051484600000000, -0.0038209200000000, -0.0039339200000000 ] - [ -0.0064705700000000, -0.0002222600000000, 0.0019004300000000 ] - [ -0.0064705700000000, 0.0002222600000000, 0.0019004300000000 ] - [ 0.0080886300000000, 0.0000000000000000, -0.0030918400000000 ] - [ 0.0070116800000000, 0.0007665200000000, -0.0031150000000000 ] - [ 0.0059744500000000, 0.0000000000000000, -0.0018775500000000 ] - [ 0.0070116800000000, -0.0007665200000000, -0.0031150000000000 ] - [ -0.0053438400000000, -0.0000020000000000, -0.0014719000000000 ] - [ -0.0053438400000000, 0.0000020000000000, -0.0014719000000000 ] - [ -0.0056679800000000, 0.0002369400000000, -0.0012714100000000 ] - [ -0.0056679800000000, -0.0002369400000000, -0.0012714100000000 ] - [ 0.0053171900000000, 0.0000000000000000, 0.0025284700000000 ] - [ 0.0053525700000000, -0.0011816700000000, 0.0034866100000000 ] - [ 0.0058685500000000, 0.0000000000000000, 0.0020437200000000 ] - [ 0.0053525700000000, 0.0011816700000000, 0.0034866100000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028714500000000, 0.0000000000000000, 0.0052325400000000 ] - [ 0.0008860400000000, -0.0009212500000000, 0.0080634900000000 ] - [ 0.0005901700000000, 0.0000000000000000, 0.0079912200000000 ] - [ 0.0008860400000000, 0.0009212500000000, 0.0080634900000000 ] - [ 0.0016130200000000, 0.0001274700000000, -0.0085261600000000 ] - [ 0.0016130200000000, -0.0001274700000000, -0.0085261600000000 ] - [ -0.0001909900000000, 0.0002421600000000, -0.0080894700000000 ] - [ -0.0001909900000000, -0.0002421600000000, -0.0080894700000000 ] - [ 0.0016486900000000, 0.0000000000000000, -0.0067097800000000 ] - [ 0.0007333900000000, 0.0001012400000000, -0.0078804900000000 ] - [ 0.0006033000000000, 0.0000000000000000, -0.0080039100000000 ] - [ 0.0007333900000000, -0.0001012400000000, -0.0078804900000000 ] - [ -0.0014793500000000, -0.0001083600000000, 0.0076494200000000 ] - [ -0.0014793500000000, 0.0001083600000000, 0.0076494200000000 ] - [ -0.0010855800000000, -0.0001357900000000, 0.0079568100000000 ] - [ -0.0010855800000000, 0.0001357900000000, 0.0079568100000000 ] - [ -0.0021693300000000, 0.0000000000000000, -0.0089764100000000 ] - [ -0.0013320900000000, -0.0005186800000000, -0.0082952700000000 ] - [ -0.0012361700000000, 0.0000000000000000, -0.0076443400000000 ] - [ -0.0013320900000000, 0.0005186800000000, -0.0082952700000000 ] - [ 0.0016568600000000, -0.0000593900000000, 0.0072081900000000 ] - [ 0.0016568600000000, 0.0000593900000000, 0.0072081900000000 ] - [ 0.0013615400000000, 0.0001797800000000, 0.0074818400000000 ] - [ 0.0013615400000000, -0.0001797800000000, 0.0074818400000000 ] - [ 0.0014342500000000, 0.0000000000000000, 0.0082565200000000 ] - [ -0.0005655300000000, 0.0003746400000000, 0.0086926400000000 ] - [ -0.0011232200000000, 0.0000000000000000, 0.0079353200000000 ] - [ -0.0005655300000000, -0.0003746400000000, 0.0086926400000000 ] - [ -0.0002167100000000, 0.0005416300000000, -0.0056384800000000 ] - [ -0.0002167100000000, -0.0005416300000000, -0.0056384800000000 ] - [ 0.0009487000000000, -0.0002109200000000, -0.0077245600000000 ] - [ 0.0009487000000000, 0.0002109200000000, -0.0077245600000000 ] - [ -0.0153045700000000, 0.0090116300000000, -0.0046298400000000 ] - [ -0.0153045700000000, -0.0090116300000000, -0.0046298400000000 ] - [ 0.0028635500000000, 0.0005295300000000, 0.0013404400000000 ] - [ 0.0028635500000000, -0.0005295300000000, 0.0013404400000000 ] - [ -0.0402488000000000, 0.0000000000000000, 0.0191005100000000 ] - [ -0.0073699800000000, 0.0050392600000000, -0.0042877300000000 ] - [ -0.0046221300000000, 0.0000000000000000, -0.0015228900000000 ] - [ -0.0073699800000000, -0.0050392600000000, -0.0042877300000000 ] - [ 0.0052454000000000, 0.0008381100000000, -0.0014483800000000 ] - [ 0.0052454000000000, -0.0008381100000000, -0.0014483800000000 ] - [ 0.0047409600000000, -0.0001047700000000, -0.0009009900000000 ] - [ 0.0047409600000000, 0.0001047700000000, -0.0009009900000000 ] - [ -0.0034544200000000, 0.0000000000000000, 0.0011044200000000 ] - [ -0.0030815800000000, -0.0000606800000000, 0.0011863000000000 ] - [ -0.0035353500000000, 0.0000000000000000, 0.0009334900000000 ] - [ -0.0030815800000000, 0.0000606800000000, 0.0011863000000000 ] - [ 0.0975642200000000, 0.0000000000000000, -0.0115645200000000 ] - [ 0.0008157000000000, 0.0004183700000000, -0.0018008100000000 ] - [ -0.0011028600000000, 0.0000000000000000, -0.0011642300000000 ] - [ 0.0008157000000000, -0.0004183700000000, -0.0018008100000000 ] - [ -0.0110750200000000, 0.0173914900000000, 0.0043897000000000 ] - [ -0.0110750200000000, -0.0173914900000000, 0.0043897000000000 ] - [ 0.0021114600000000, -0.0010320400000000, 0.0010457500000000 ] - [ 0.0021114600000000, 0.0010320400000000, 0.0010457500000000 ] - [ -0.0025902200000000, 0.0000000000000000, 0.0014465800000000 ] - [ -0.0020213300000000, -0.0000103400000000, 0.0010681600000000 ] - [ -0.0020465000000000, 0.0000000000000000, 0.0010077400000000 ] - [ -0.0020213300000000, 0.0000103400000000, 0.0010681600000000 ] - [ 0.0016077700000000, -0.0000845200000000, -0.0008077800000000 ] - [ 0.0016077700000000, 0.0000845200000000, -0.0008077800000000 ] - [ 0.0013720200000000, 0.0001804600000000, -0.0010834700000000 ] - [ 0.0013720200000000, -0.0001804600000000, -0.0010834700000000 ] - [ -0.0008981700000000, 0.0000000000000000, 0.0040693100000000 ] - [ -0.0003605600000000, 0.0002534100000000, 0.0013330900000000 ] - [ -0.0001609100000000, 0.0000000000000000, 0.0012340000000000 ] - [ -0.0003605600000000, -0.0002534100000000, 0.0013330900000000 ] - [ -0.0009585000000000, 0.0000519100000000, -0.0010838500000000 ] - [ -0.0009585000000000, -0.0000519100000000, -0.0010838500000000 ] - [ -0.0004158800000000, 0.0000199800000000, -0.0010255300000000 ] - [ -0.0004158800000000, -0.0000199800000000, -0.0010255300000000 ] - [ -0.0041038300000000, 0.0000000000000000, -0.0143736600000000 ] - [ 0.0001943700000000, -0.0013964700000000, -0.0021335600000000 ] - [ 0.0003466600000000, 0.0000000000000000, -0.0013180200000000 ] - [ 0.0001943700000000, 0.0013964700000000, -0.0021335600000000 ] - [ 0.0023896300000000, 0.0014007700000000, 0.0033474600000000 ] - [ 0.0023896300000000, -0.0014007700000000, 0.0033474600000000 ] - [ 0.0003556500000000, -0.0003240500000000, 0.0014737800000000 ] - [ 0.0003556500000000, 0.0003240500000000, 0.0014737800000000 ] - [ -0.0064228800000000, -0.0038246200000000, 0.0074962800000000 ] - [ -0.0064228800000000, 0.0038246200000000, 0.0074962800000000 ] - [ -0.0051381300000000, 0.0002203600000000, 0.0016540100000000 ] - [ -0.0051381300000000, -0.0002203600000000, 0.0016540100000000 ] - [ 0.0034992300000000, 0.0000000000000000, -0.0004459700000000 ] - [ 0.0046018900000000, -0.0007656400000000, -0.0004468100000000 ] - [ 0.0056371100000000, 0.0000000000000000, -0.0016761500000000 ] - [ 0.0046018900000000, 0.0007656400000000, -0.0004468100000000 ] - [ -0.0062760800000000, -0.0000000200000000, -0.0020806200000000 ] - [ -0.0062760800000000, 0.0000000200000000, -0.0020806200000000 ] - [ -0.0059471700000000, -0.0002368200000000, -0.0022818400000000 ] - [ -0.0059471700000000, 0.0002368200000000, -0.0022818400000000 ] - [ 0.0063003500000000, 0.0000000000000000, 0.0010249100000000 ] - [ 0.0062685800000000, 0.0011904000000000, 0.0000551600000000 ] - [ 0.0057472300000000, 0.0000000000000000, 0.0015095500000000 ] - [ 0.0062685800000000, -0.0011904000000000, 0.0000551600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007171900000000, 0.0030567900000000, 0.0080650000000000 ] - [ 0.0024664300000000, -0.0009691500000000, 0.0080827200000000 ] - [ 0.0007013800000000, -0.0006970300000000, 0.0080702600000000 ] - [ -0.0010578900000000, -0.0009679700000000, 0.0080547500000000 ] - [ 0.0006641900000000, 0.0006322800000000, -0.0091807900000000 ] - [ -0.0020646400000000, 0.0006323100000000, -0.0069560600000000 ] - [ -0.0010278700000000, -0.0006260300000000, -0.0080173000000000 ] - [ -0.0003718300000000, -0.0006270800000000, -0.0081222700000000 ] - [ 0.0007045100000000, 0.0001306000000000, -0.0080629800000000 ] - [ 0.0004161200000000, 0.0000706100000000, -0.0084224100000000 ] - [ 0.0006998900000000, -0.0003555600000000, -0.0080711300000000 ] - [ 0.0009835800000000, 0.0000689400000000, -0.0077198800000000 ] - [ -0.0012109400000000, 0.0005185100000000, 0.0069535500000000 ] - [ -0.0001934200000000, 0.0005182100000000, 0.0091829100000000 ] - [ -0.0007396100000000, -0.0004794900000000, 0.0083382900000000 ] - [ -0.0006610700000000, -0.0004814200000000, 0.0078040300000000 ] - [ -0.0012472700000000, 0.0022463300000000, -0.0077528500000000 ] - [ -0.0011372400000000, -0.0009126700000000, -0.0091688300000000 ] - [ -0.0012446300000000, -0.0006576300000000, -0.0077527500000000 ] - [ -0.0013532200000000, -0.0009116500000000, -0.0063387100000000 ] - [ 0.0015160300000000, 0.0004679800000000, 0.0072748500000000 ] - [ 0.0009762300000000, 0.0004685100000000, 0.0082272400000000 ] - [ 0.0011825500000000, -0.0004773200000000, 0.0080885800000000 ] - [ 0.0013068100000000, -0.0004784600000000, 0.0074146700000000 ] - [ -0.0012361400000000, 0.0010841000000000, 0.0077490900000000 ] - [ -0.0019895100000000, -0.0003261300000000, 0.0067570500000000 ] - [ -0.0012452000000000, -0.0005237400000000, 0.0077508300000000 ] - [ -0.0005003800000000, -0.0003275600000000, 0.0087444200000000 ] - [ -0.0000031800000000, 0.0004730700000000, -0.0101968900000000 ] - [ 0.0024847600000000, 0.0004845200000000, -0.0052955600000000 ] - [ 0.0016367100000000, -0.0008653600000000, -0.0072107000000000 ] - [ 0.0008544600000000, -0.0008643200000000, -0.0082859400000000 ] - [ -0.0015778000000000, 0.0225608200000000, -0.0026846700000000 ] - [ 0.0103113700000000, 0.0239145000000000, 0.0059201700000000 ] - [ 0.0031489600000000, -0.0048743800000000, -0.0017898500000000 ] - [ 0.0049442300000000, -0.0048594900000000, 0.0037813300000000 ] - [ -0.0041124500000000, 0.0203357500000000, -0.0009307800000000 ] - [ -0.0055363300000000, -0.0059530600000000, 0.0037026700000000 ] - [ -0.0040569700000000, -0.0033133300000000, -0.0010064600000000 ] - [ -0.0025972700000000, -0.0059762800000000, -0.0056937500000000 ] - [ 0.0037328200000000, 0.0007579900000000, -0.0009371000000000 ] - [ 0.0043808800000000, 0.0007607400000000, -0.0010837400000000 ] - [ 0.0041571900000000, -0.0007520400000000, -0.0011392000000000 ] - [ 0.0039548200000000, -0.0007529600000000, -0.0008823600000000 ] - [ -0.0040543200000000, 0.0015687000000000, 0.0010123500000000 ] - [ -0.0037004800000000, -0.0002441800000000, 0.0015153200000000 ] - [ -0.0040547400000000, -0.0010649100000000, 0.0010114100000000 ] - [ -0.0044108700000000, -0.0002443600000000, 0.0005071900000000 ] - [ -0.0024443800000000, -0.0937604200000000, -0.0022605600000000 ] - [ -0.0012899400000000, 0.0092664100000000, -0.0004503500000000 ] - [ -0.0017260900000000, 0.0025947500000000, -0.0010556700000000 ] - [ -0.0021480200000000, 0.0091114400000000, -0.0016676600000000 ] - [ -0.0156929600000000, 0.0081260800000000, 0.0053165400000000 ] - [ 0.0193534200000000, 0.0081025400000000, -0.0032619900000000 ] - [ 0.0027680000000000, 0.0023419800000000, 0.0008411000000000 ] - [ 0.0006989900000000, 0.0023404900000000, 0.0012663200000000 ] - [ -0.0017281600000000, -0.0005697400000000, 0.0010544500000000 ] - [ -0.0017371000000000, 0.0000198600000000, 0.0010883800000000 ] - [ -0.0017266300000000, 0.0005371000000000, 0.0010554100000000 ] - [ -0.0017164300000000, 0.0000209000000000, 0.0010219300000000 ] - [ 0.0018108100000000, -0.0004760800000000, -0.0008098600000000 ] - [ 0.0016420500000000, -0.0004768400000000, -0.0013010000000000 ] - [ 0.0015461200000000, 0.0005158300000000, -0.0011202700000000 ] - [ 0.0019065500000000, 0.0005167400000000, -0.0009907000000000 ] - [ 0.0000930300000000, -0.0006407600000000, 0.0011924400000000 ] - [ -0.0002383500000000, 0.0001577300000000, 0.0016984200000000 ] - [ 0.0000925800000000, 0.0004357500000000, 0.0011929500000000 ] - [ 0.0004227600000000, 0.0001581300000000, 0.0006881200000000 ] - [ 0.0001064600000000, -0.0004023800000000, -0.0003588900000000 ] - [ -0.0002950900000000, -0.0004026200000000, -0.0020293400000000 ] - [ -0.0001038300000000, 0.0003946300000000, -0.0013365700000000 ] - [ -0.0000829100000000, 0.0003951800000000, -0.0010493100000000 ] - [ 0.0000663900000000, -0.0086194100000000, -0.0012396900000000 ] - [ 0.0013853100000000, 0.0018172200000000, 0.0009930100000000 ] - [ 0.0000937500000000, 0.0011711000000000, -0.0011913200000000 ] - [ -0.0012035900000000, 0.0018428500000000, -0.0033834700000000 ] - [ -0.0010036200000000, 0.0019628400000000, 0.0081174100000000 ] - [ 0.0008313200000000, 0.0019107100000000, -0.0057670500000000 ] - [ -0.0000808900000000, 0.0014983900000000, 0.0005324500000000 ] - [ -0.0001037900000000, 0.0015018500000000, 0.0018451900000000 ] - [ 0.0001679000000000, 0.0016285600000000, -0.0067823600000000 ] - [ -0.0118095600000000, 0.0016339000000000, 0.0104003800000000 ] - [ -0.0066202400000000, 0.0012784500000000, 0.0025461000000000 ] - [ -0.0049844100000000, 0.0012776800000000, 0.0010109600000000 ] - [ 0.0057967000000000, -0.0024937300000000, -0.0017759400000000 ] - [ 0.0072144700000000, 0.0009613600000000, -0.0033970000000000 ] - [ 0.0058007100000000, 0.0010685600000000, -0.0017761400000000 ] - [ 0.0043792200000000, 0.0009652800000000, -0.0001534800000000 ] - [ -0.0057050200000000, -0.0006717200000000, -0.0016750200000000 ] - [ -0.0058975600000000, -0.0006736100000000, -0.0018744700000000 ] - [ -0.0058956700000000, 0.0006891900000000, -0.0014862100000000 ] - [ -0.0057055400000000, 0.0006905700000000, -0.0020623500000000 ] - [ 0.0058029200000000, -0.0020362800000000, 0.0017698900000000 ] - [ 0.0061656900000000, 0.0010183200000000, 0.0003870500000000 ] - [ 0.0058005800000000, 0.0010854500000000, 0.0017725100000000 ] - [ 0.0054382300000000, 0.0010180600000000, 0.0031599400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0040880900000000, 0.0000000000000000, 0.0092312000000000 ] - [ 0.0016481400000000, -0.0012752000000000, 0.0094357400000000 ] - [ 0.0007477700000000, 0.0000000000000000, 0.0082837300000000 ] - [ 0.0016481400000000, 0.0012752000000000, 0.0094357400000000 ] - [ -0.0002235600000000, -0.0001033700000000, -0.0078360600000000 ] - [ -0.0002235600000000, 0.0001033700000000, -0.0078360600000000 ] - [ -0.0005010100000000, 0.0002013100000000, -0.0078615500000000 ] - [ -0.0005010100000000, -0.0002013100000000, -0.0078615500000000 ] - [ -0.0008568000000000, 0.0000000000000000, -0.0115151200000000 ] - [ 0.0006425500000000, -0.0003934700000000, -0.0084033300000000 ] - [ 0.0006703200000000, 0.0000000000000000, -0.0081859700000000 ] - [ 0.0006425500000000, 0.0003934700000000, -0.0084033300000000 ] - [ -0.0013481600000000, -0.0000109500000000, 0.0057776700000000 ] - [ -0.0013481600000000, 0.0000109500000000, 0.0057776700000000 ] - [ -0.0005012300000000, 0.0002986200000000, 0.0074291600000000 ] - [ -0.0005012300000000, -0.0002986200000000, 0.0074291600000000 ] - [ -0.0004530900000000, 0.0000000000000000, -0.0110366800000000 ] - [ -0.0011266900000000, -0.0013279300000000, -0.0093740100000000 ] - [ -0.0011593900000000, 0.0000000000000000, -0.0077599000000000 ] - [ -0.0011266900000000, 0.0013279300000000, -0.0093740100000000 ] - [ 0.0018987800000000, -0.0001102500000000, 0.0066553700000000 ] - [ 0.0018987800000000, 0.0001102500000000, 0.0066553700000000 ] - [ 0.0013300600000000, 0.0001755100000000, 0.0074078100000000 ] - [ 0.0013300600000000, -0.0001755100000000, 0.0074078100000000 ] - [ -0.0041210100000000, 0.0000000000000000, 0.0089809400000000 ] - [ -0.0013538100000000, -0.0002706400000000, 0.0084188300000000 ] - [ -0.0012300300000000, 0.0000000000000000, 0.0079212100000000 ] - [ -0.0013538100000000, 0.0002706400000000, 0.0084188300000000 ] - [ -0.0008496800000000, -0.0009924100000000, -0.0093042000000000 ] - [ -0.0008496800000000, 0.0009924100000000, -0.0093042000000000 ] - [ 0.0010821700000000, 0.0003474900000000, -0.0076567300000000 ] - [ 0.0010821700000000, -0.0003474900000000, -0.0076567300000000 ] - [ 0.0089814400000000, -0.0065038400000000, 0.0270355500000000 ] - [ 0.0089814400000000, 0.0065038400000000, 0.0270355500000000 ] - [ 0.0039821700000000, -0.0005193700000000, 0.0023068700000000 ] - [ 0.0039821700000000, 0.0005193700000000, 0.0023068700000000 ] - [ -0.0192442500000000, 0.0000000000000000, 0.0274463300000000 ] - [ -0.0019635700000000, 0.0049406800000000, 0.0020117900000000 ] - [ -0.0035578400000000, 0.0000000000000000, -0.0003265100000000 ] - [ -0.0019635700000000, -0.0049406800000000, 0.0020117900000000 ] - [ 0.0041150300000000, 0.0006646200000000, -0.0023026000000000 ] - [ 0.0041150300000000, -0.0006646200000000, -0.0023026000000000 ] - [ 0.0042799500000000, -0.0003463800000000, -0.0014870700000000 ] - [ 0.0042799500000000, 0.0003463800000000, -0.0014870700000000 ] - [ -0.0045733000000000, 0.0000000000000000, -0.0006744200000000 ] - [ -0.0046162300000000, 0.0002495700000000, -0.0001887400000000 ] - [ -0.0040993800000000, 0.0000000000000000, 0.0004875400000000 ] - [ -0.0046162300000000, -0.0002495700000000, -0.0001887400000000 ] - [ 0.0082269400000000, 0.0000000000000000, -0.1103167000000000 ] - [ -0.0009714800000000, -0.0006287100000000, -0.0038956500000000 ] - [ -0.0016076300000000, 0.0000000000000000, -0.0016998300000000 ] - [ -0.0009714800000000, 0.0006287100000000, -0.0038956500000000 ] - [ -0.0016710700000000, 0.0043307400000000, -0.0063287000000000 ] - [ -0.0016710700000000, -0.0043307400000000, -0.0063287000000000 ] - [ 0.0017269300000000, -0.0002174400000000, 0.0006195700000000 ] - [ 0.0017269300000000, 0.0002174400000000, 0.0006195700000000 ] - [ -0.0013273300000000, 0.0000000000000000, 0.0021590700000000 ] - [ -0.0017044200000000, 0.0000340300000000, 0.0016040300000000 ] - [ -0.0017664400000000, 0.0000000000000000, 0.0012494800000000 ] - [ -0.0017044200000000, -0.0000340300000000, 0.0016040300000000 ] - [ 0.0019652600000000, -0.0002451500000000, -0.0000213100000000 ] - [ 0.0019652600000000, 0.0002451500000000, -0.0000213100000000 ] - [ 0.0016915600000000, 0.0000652700000000, -0.0003853900000000 ] - [ 0.0016915600000000, -0.0000652700000000, -0.0003853900000000 ] - [ -0.0004715700000000, 0.0000000000000000, 0.0024640300000000 ] - [ -0.0002113600000000, 0.0005559800000000, 0.0014049500000000 ] - [ 0.0000274000000000, 0.0000000000000000, 0.0012359500000000 ] - [ -0.0002113600000000, -0.0005559800000000, 0.0014049500000000 ] - [ 0.0003389100000000, 0.0000549800000000, -0.0005850700000000 ] - [ 0.0003389100000000, -0.0000549800000000, -0.0005850700000000 ] - [ 0.0000000900000000, -0.0001664300000000, -0.0010482300000000 ] - [ 0.0000000900000000, 0.0001664300000000, -0.0010482300000000 ] - [ 0.0176563300000000, 0.0000000000000000, 0.0182888500000000 ] - [ 0.0009651000000000, 0.0021074400000000, -0.0013223300000000 ] - [ 0.0002174900000000, 0.0000000000000000, -0.0013724300000000 ] - [ 0.0009651000000000, -0.0021074400000000, -0.0013223300000000 ] - [ -0.0020301100000000, 0.0098794500000000, 0.0085168800000000 ] - [ -0.0020301100000000, -0.0098794500000000, 0.0085168800000000 ] - [ -0.0000640900000000, -0.0010026300000000, 0.0010712300000000 ] - [ -0.0000640900000000, 0.0010026300000000, 0.0010712300000000 ] - [ -0.0126243000000000, -0.0070031600000000, 0.0099816000000000 ] - [ -0.0126243000000000, 0.0070031600000000, 0.0099816000000000 ] - [ -0.0057512500000000, 0.0004321400000000, 0.0013888900000000 ] - [ -0.0057512500000000, -0.0004321400000000, 0.0013888900000000 ] - [ 0.0037974800000000, 0.0000000000000000, -0.0008280500000000 ] - [ 0.0044225600000000, -0.0004735300000000, -0.0014484400000000 ] - [ 0.0054955000000000, 0.0000000000000000, -0.0016748700000000 ] - [ 0.0044225600000000, 0.0004735300000000, -0.0014484400000000 ] - [ -0.0053611200000000, -0.0005765700000000, -0.0015731900000000 ] - [ -0.0053611200000000, 0.0005765700000000, -0.0015731900000000 ] - [ -0.0057958600000000, 0.0000887300000000, -0.0019719300000000 ] - [ -0.0057958600000000, -0.0000887300000000, -0.0019719300000000 ] - [ 0.0058016400000000, 0.0000000000000000, 0.0022868200000000 ] - [ 0.0056091200000000, -0.0011538100000000, 0.0035068500000000 ] - [ 0.0057174600000000, 0.0000000000000000, 0.0021988000000000 ] - [ 0.0056091200000000, 0.0011538100000000, 0.0035068500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0026979900000000, 0.0000000000000000, 0.0069340900000000 ] - [ -0.0002514400000000, 0.0012772000000000, 0.0067102000000000 ] - [ 0.0006516400000000, 0.0000000000000000, 0.0078574600000000 ] - [ -0.0002514400000000, -0.0012772000000000, 0.0067102000000000 ] - [ -0.0011615400000000, 0.0001042700000000, -0.0083135400000000 ] - [ -0.0011615400000000, -0.0001042700000000, -0.0083135400000000 ] - [ -0.0008971200000000, -0.0002006400000000, -0.0082825600000000 ] - [ -0.0008971200000000, 0.0002006400000000, -0.0082825600000000 ] - [ 0.0022495300000000, 0.0000000000000000, -0.0046471500000000 ] - [ 0.0007589100000000, 0.0003913100000000, -0.0077352100000000 ] - [ 0.0007301800000000, 0.0000000000000000, -0.0079544300000000 ] - [ 0.0007589100000000, -0.0003913100000000, -0.0077352100000000 ] - [ -0.0000469800000000, 0.0000089200000000, 0.0103733200000000 ] - [ -0.0000469800000000, -0.0000089200000000, 0.0103733200000000 ] - [ -0.0009011900000000, -0.0002999500000000, 0.0087136100000000 ] - [ -0.0009011900000000, 0.0002999500000000, 0.0087136100000000 ] - [ -0.0020333400000000, 0.0000000000000000, -0.0044663600000000 ] - [ -0.0013648400000000, 0.0013246300000000, -0.0061319700000000 ] - [ -0.0013304200000000, 0.0000000000000000, -0.0077410700000000 ] - [ -0.0013648400000000, -0.0013246300000000, -0.0061319700000000 ] - [ 0.0005861200000000, 0.0001109500000000, 0.0088460700000000 ] - [ 0.0005861200000000, -0.0001109500000000, 0.0088460700000000 ] - [ 0.0011596200000000, -0.0001756100000000, 0.0080948400000000 ] - [ 0.0011596200000000, 0.0001756100000000, 0.0080948400000000 ] - [ 0.0016183100000000, 0.0000000000000000, 0.0065420100000000 ] - [ -0.0011317100000000, 0.0002715900000000, 0.0070929800000000 ] - [ -0.0012583100000000, 0.0000000000000000, 0.0075852000000000 ] - [ -0.0011317100000000, -0.0002715900000000, 0.0070929800000000 ] - [ 0.0033567900000000, 0.0009993700000000, -0.0061917000000000 ] - [ 0.0033567900000000, -0.0009993700000000, -0.0061917000000000 ] - [ 0.0014051500000000, -0.0003490700000000, -0.0078501600000000 ] - [ 0.0014051500000000, 0.0003490700000000, -0.0078501600000000 ] - [ -0.0004766200000000, 0.0055754200000000, -0.0244438700000000 ] - [ -0.0004766200000000, -0.0055754200000000, -0.0244438700000000 ] - [ 0.0041303000000000, 0.0005343800000000, -0.0002694400000000 ] - [ 0.0041303000000000, -0.0005343800000000, -0.0002694400000000 ] - [ 0.0127840700000000, 0.0000000000000000, -0.0308599000000000 ] - [ -0.0061794500000000, -0.0049269000000000, -0.0041057500000000 ] - [ -0.0045596400000000, 0.0000000000000000, -0.0017094300000000 ] - [ -0.0061794500000000, 0.0049269000000000, -0.0041057500000000 ] - [ 0.0039951700000000, -0.0006679100000000, 0.0002865500000000 ] - [ 0.0039951700000000, 0.0006679100000000, 0.0002865500000000 ] - [ 0.0038334700000000, 0.0003454500000000, -0.0005312600000000 ] - [ 0.0038334700000000, -0.0003454500000000, -0.0005312600000000 ] - [ -0.0035364500000000, 0.0000000000000000, 0.0026988000000000 ] - [ -0.0034916500000000, -0.0002516400000000, 0.0022133600000000 ] - [ -0.0040105900000000, 0.0000000000000000, 0.0015352900000000 ] - [ -0.0034916500000000, 0.0002516400000000, 0.0022133600000000 ] - [ -0.0141536700000000, 0.0000000000000000, 0.1081213200000000 ] - [ -0.0024806500000000, 0.0005893000000000, 0.0017888600000000 ] - [ -0.0018409100000000, 0.0000000000000000, -0.0004094500000000 ] - [ -0.0024806500000000, -0.0005893000000000, 0.0017888600000000 ] - [ 0.0050313800000000, -0.0042466900000000, 0.0085278000000000 ] - [ 0.0050313800000000, 0.0042466900000000, 0.0085278000000000 ] - [ 0.0017209600000000, 0.0002075100000000, 0.0014948200000000 ] - [ 0.0017209600000000, -0.0002075100000000, 0.0014948200000000 ] - [ -0.0021217200000000, 0.0000000000000000, -0.0000514700000000 ] - [ -0.0017480400000000, -0.0000328200000000, 0.0005063500000000 ] - [ -0.0016868200000000, 0.0000000000000000, 0.0008605600000000 ] - [ -0.0017480400000000, 0.0000328200000000, 0.0005063500000000 ] - [ 0.0014842100000000, 0.0002456900000000, -0.0020928000000000 ] - [ 0.0014842100000000, -0.0002456900000000, -0.0020928000000000 ] - [ 0.0017595000000000, -0.0000642400000000, -0.0017281100000000 ] - [ 0.0017595000000000, 0.0000642400000000, -0.0017281100000000 ] - [ 0.0006606700000000, 0.0000000000000000, -0.0000928600000000 ] - [ 0.0003960700000000, -0.0005546200000000, 0.0009790200000000 ] - [ 0.0001584700000000, 0.0000000000000000, 0.0011477400000000 ] - [ 0.0003960700000000, 0.0005546200000000, 0.0009790200000000 ] - [ -0.0005287700000000, -0.0000539900000000, -0.0017986000000000 ] - [ -0.0005287700000000, 0.0000539900000000, -0.0017986000000000 ] - [ -0.0001885800000000, 0.0001672500000000, -0.0013353400000000 ] - [ -0.0001885800000000, -0.0001672500000000, -0.0013353400000000 ] - [ -0.0171501200000000, 0.0000000000000000, -0.0203751300000000 ] - [ -0.0007872100000000, -0.0021203100000000, -0.0010749400000000 ] - [ -0.0000306600000000, 0.0000000000000000, -0.0010140700000000 ] - [ -0.0007872100000000, 0.0021203100000000, -0.0010749400000000 ] - [ 0.0018783700000000, -0.0100340800000000, -0.0062432800000000 ] - [ 0.0018783700000000, 0.0100340800000000, -0.0062432800000000 ] - [ -0.0001196800000000, 0.0010098100000000, 0.0013205800000000 ] - [ -0.0001196800000000, -0.0010098100000000, 0.0013205800000000 ] - [ 0.0009710400000000, 0.0069109000000000, -0.0063714700000000 ] - [ 0.0009710400000000, -0.0069109000000000, -0.0063714700000000 ] - [ -0.0058456600000000, -0.0004327600000000, 0.0021544100000000 ] - [ -0.0058456600000000, 0.0004327600000000, 0.0021544100000000 ] - [ 0.0077683600000000, 0.0000000000000000, -0.0026960900000000 ] - [ 0.0071809900000000, 0.0004721400000000, -0.0020841900000000 ] - [ 0.0061048500000000, 0.0000000000000000, -0.0018704500000000 ] - [ 0.0071809900000000, -0.0004721400000000, -0.0020841900000000 ] - [ -0.0062326300000000, 0.0005732000000000, -0.0019778500000000 ] - [ -0.0062326300000000, -0.0005732000000000, -0.0019778500000000 ] - [ -0.0058046800000000, -0.0000894500000000, -0.0015818100000000 ] - [ -0.0058046800000000, 0.0000894500000000, -0.0015818100000000 ] - [ 0.0057963100000000, 0.0000000000000000, 0.0012720300000000 ] - [ 0.0059929600000000, 0.0011598000000000, 0.0000330000000000 ] - [ 0.0058831000000000, 0.0000000000000000, 0.0013495300000000 ] - [ 0.0059929600000000, -0.0011598000000000, 0.0000330000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013605500000000, 0.0000000000000000, 0.0088254600000000 ] - [ 0.0012614400000000, -0.0006112600000000, 0.0081625200000000 ] - [ 0.0008382800000000, 0.0000000000000000, 0.0080122200000000 ] - [ 0.0012614400000000, 0.0006112600000000, 0.0081625200000000 ] - [ -0.0006186700000000, -0.0000209000000000, -0.0081992100000000 ] - [ -0.0006186700000000, 0.0000209000000000, -0.0081992100000000 ] - [ -0.0006429900000000, 0.0000010100000000, -0.0081246600000000 ] - [ -0.0006429900000000, -0.0000010100000000, -0.0081246600000000 ] - [ -0.0040646800000000, 0.0000000000000000, -0.0059379300000000 ] - [ -0.0007215200000000, 0.0010054800000000, -0.0072362300000000 ] - [ 0.0006570600000000, 0.0000000000000000, -0.0081978800000000 ] - [ -0.0007215200000000, -0.0010054800000000, -0.0072362300000000 ] - [ -0.0002903500000000, 0.0003025500000000, 0.0073119700000000 ] - [ -0.0002903500000000, -0.0003025500000000, 0.0073119700000000 ] - [ -0.0007803600000000, -0.0000736400000000, 0.0080133500000000 ] - [ -0.0007803600000000, 0.0000736400000000, 0.0080133500000000 ] - [ 0.0044552800000000, 0.0000000000000000, -0.0042750400000000 ] - [ -0.0009190600000000, -0.0011954700000000, -0.0077900000000000 ] - [ -0.0011616600000000, 0.0000000000000000, -0.0077245100000000 ] - [ -0.0009190600000000, 0.0011954700000000, -0.0077900000000000 ] - [ 0.0006876300000000, -0.0003461100000000, 0.0085274300000000 ] - [ 0.0006876300000000, 0.0003461100000000, 0.0085274300000000 ] - [ 0.0012466200000000, 0.0000039500000000, 0.0079580000000000 ] - [ 0.0012466200000000, -0.0000039500000000, 0.0079580000000000 ] - [ -0.0045155000000000, 0.0000000000000000, 0.0044304500000000 ] - [ -0.0013192900000000, 0.0011340600000000, 0.0065808100000000 ] - [ -0.0013335400000000, 0.0000000000000000, 0.0076557200000000 ] - [ -0.0013192900000000, -0.0011340600000000, 0.0065808100000000 ] - [ 0.0013200400000000, 0.0000505800000000, -0.0074350100000000 ] - [ 0.0013200400000000, -0.0000505800000000, -0.0074350100000000 ] - [ 0.0012175100000000, -0.0000595400000000, -0.0077159100000000 ] - [ 0.0012175100000000, 0.0000595400000000, -0.0077159100000000 ] - [ 0.0016711000000000, 0.0004895900000000, 0.0020126800000000 ] - [ 0.0016711000000000, -0.0004895900000000, 0.0020126800000000 ] - [ 0.0033651600000000, -0.0001232000000000, 0.0009953800000000 ] - [ 0.0033651600000000, 0.0001232000000000, 0.0009953800000000 ] - [ -0.0051254100000000, 0.0000000000000000, -0.0010905200000000 ] - [ -0.0047536200000000, -0.0001012700000000, -0.0011206500000000 ] - [ -0.0045416600000000, 0.0000000000000000, -0.0010042900000000 ] - [ -0.0047536200000000, 0.0001012700000000, -0.0011206500000000 ] - [ 0.0255724800000000, 0.0132428400000000, -0.0132391100000000 ] - [ 0.0255724800000000, -0.0132428400000000, -0.0132391100000000 ] - [ 0.0048326800000000, 0.0005072900000000, -0.0010706300000000 ] - [ 0.0048326800000000, -0.0005072900000000, -0.0010706300000000 ] - [ 0.0016649300000000, 0.0000000000000000, 0.0037436200000000 ] - [ -0.0027921700000000, 0.0001458900000000, 0.0012075000000000 ] - [ -0.0035249600000000, 0.0000000000000000, 0.0010871800000000 ] - [ -0.0027921700000000, -0.0001458900000000, 0.0012075000000000 ] - [ -0.0007517500000000, 0.0000000000000000, -0.0016228300000000 ] - [ -0.0012818600000000, 0.0003320300000000, -0.0013608800000000 ] - [ -0.0014829200000000, 0.0000000000000000, -0.0011212700000000 ] - [ -0.0012818600000000, -0.0003320300000000, -0.0013608800000000 ] - [ 0.0025992700000000, 0.0001996200000000, 0.0014877900000000 ] - [ 0.0025992700000000, -0.0001996200000000, 0.0014877900000000 ] - [ 0.0020586300000000, -0.0000098600000000, 0.0011496200000000 ] - [ 0.0020586300000000, 0.0000098600000000, 0.0011496200000000 ] - [ 0.0024392700000000, 0.0000000000000000, -0.0162833000000000 ] - [ -0.0018346800000000, -0.0013039600000000, 0.0001736200000000 ] - [ -0.0019886000000000, 0.0000000000000000, 0.0009310900000000 ] - [ -0.0018346800000000, 0.0013039600000000, 0.0001736200000000 ] - [ -0.0007587600000000, -0.0009012300000000, 0.0008731500000000 ] - [ -0.0007587600000000, 0.0009012300000000, 0.0008731500000000 ] - [ 0.0012863900000000, 0.0000086200000000, -0.0010854600000000 ] - [ 0.0012863900000000, -0.0000086200000000, -0.0010854600000000 ] - [ -0.0684340500000000, 0.0000000000000000, 0.0390959800000000 ] - [ -0.0017056300000000, 0.0003545400000000, 0.0016558000000000 ] - [ -0.0001617700000000, 0.0000000000000000, 0.0012680700000000 ] - [ -0.0017056300000000, -0.0003545400000000, 0.0016558000000000 ] - [ -0.0006419500000000, 0.0010815700000000, -0.0016943700000000 ] - [ -0.0006419500000000, -0.0010815700000000, -0.0016943700000000 ] - [ -0.0003784500000000, -0.0000877300000000, -0.0011908000000000 ] - [ -0.0003784500000000, 0.0000877300000000, -0.0011908000000000 ] - [ 0.0039013800000000, 0.0000000000000000, -0.0024700700000000 ] - [ 0.0010727000000000, 0.0001452500000000, -0.0007958500000000 ] - [ 0.0003929200000000, 0.0000000000000000, -0.0010572800000000 ] - [ 0.0010727000000000, -0.0001452500000000, -0.0007958500000000 ] - [ 0.0004739500000000, -0.0000569100000000, 0.0017011100000000 ] - [ 0.0004739500000000, 0.0000569100000000, 0.0017011100000000 ] - [ 0.0001329600000000, 0.0000974300000000, 0.0012332400000000 ] - [ 0.0001329600000000, -0.0000974300000000, 0.0012332400000000 ] - [ -0.0044525400000000, -0.0012812600000000, -0.0001390500000000 ] - [ -0.0044525400000000, 0.0012812600000000, -0.0001390500000000 ] - [ -0.0056497100000000, 0.0003228300000000, 0.0014061600000000 ] - [ -0.0056497100000000, -0.0003228300000000, 0.0014061600000000 ] - [ 0.0059450600000000, 0.0000000000000000, -0.0018193900000000 ] - [ 0.0058760200000000, 0.0000068600000000, -0.0020212700000000 ] - [ 0.0059576000000000, 0.0000000000000000, -0.0020547900000000 ] - [ 0.0058760200000000, -0.0000068600000000, -0.0020212700000000 ] - [ 0.0048951400000000, 0.0058415500000000, -0.0018255200000000 ] - [ 0.0048951400000000, -0.0058415500000000, -0.0018255200000000 ] - [ -0.0060455300000000, -0.0003876000000000, -0.0018509800000000 ] - [ -0.0060455300000000, 0.0003876000000000, -0.0018509800000000 ] - [ 0.0053559800000000, 0.0000000000000000, 0.0015759700000000 ] - [ 0.0052971400000000, 0.0004832200000000, 0.0016345600000000 ] - [ 0.0055586800000000, 0.0000000000000000, 0.0016551300000000 ] - [ 0.0052971400000000, -0.0004832200000000, 0.0016345600000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000496800000000, 0.0000000000000000, 0.0072947200000000 ] - [ 0.0001460500000000, 0.0006095700000000, 0.0079756200000000 ] - [ 0.0005643200000000, 0.0000000000000000, 0.0081288800000000 ] - [ 0.0001460500000000, -0.0006095700000000, 0.0079756200000000 ] - [ -0.0007850500000000, 0.0000215200000000, -0.0079401200000000 ] - [ -0.0007850500000000, -0.0000215200000000, -0.0079401200000000 ] - [ -0.0007597100000000, -0.0000014500000000, -0.0080167200000000 ] - [ -0.0007597100000000, 0.0000014500000000, -0.0080167200000000 ] - [ 0.0054259300000000, 0.0000000000000000, -0.0102027700000000 ] - [ 0.0021174800000000, -0.0010095300000000, -0.0089098300000000 ] - [ 0.0007401700000000, 0.0000000000000000, -0.0079429300000000 ] - [ 0.0021174800000000, 0.0010095300000000, -0.0089098300000000 ] - [ -0.0010932500000000, -0.0002988800000000, 0.0088201600000000 ] - [ -0.0010932500000000, 0.0002988800000000, 0.0088201600000000 ] - [ -0.0006167900000000, 0.0000739900000000, 0.0081271900000000 ] - [ -0.0006167900000000, -0.0000739900000000, 0.0081271900000000 ] - [ -0.0063465300000000, 0.0000000000000000, -0.0110759000000000 ] - [ -0.0015526000000000, 0.0011901400000000, -0.0077129100000000 ] - [ -0.0013234900000000, 0.0000000000000000, -0.0077804700000000 ] - [ -0.0015526000000000, -0.0011901400000000, -0.0077129100000000 ] - [ 0.0017971100000000, 0.0003468200000000, 0.0069789900000000 ] - [ 0.0017971100000000, -0.0003468200000000, 0.0069789900000000 ] - [ 0.0012403400000000, -0.0000040100000000, 0.0075476500000000 ] - [ 0.0012403400000000, 0.0000040100000000, 0.0075476500000000 ] - [ 0.0020119800000000, 0.0000000000000000, 0.0110784900000000 ] - [ -0.0011769600000000, -0.0011343100000000, 0.0089219400000000 ] - [ -0.0011577400000000, 0.0000000000000000, 0.0078466500000000 ] - [ -0.0011769600000000, 0.0011343100000000, 0.0089219400000000 ] - [ 0.0011721800000000, -0.0000501300000000, -0.0080662300000000 ] - [ 0.0011721800000000, 0.0000501300000000, -0.0080662300000000 ] - [ 0.0012727300000000, 0.0000596200000000, -0.0077879900000000 ] - [ 0.0012727300000000, -0.0000596200000000, -0.0077879900000000 ] - [ 0.0064395000000000, -0.0004837000000000, 0.0000229800000000 ] - [ 0.0064395000000000, 0.0004837000000000, 0.0000229800000000 ] - [ 0.0047466800000000, 0.0001189900000000, 0.0010275000000000 ] - [ 0.0047466800000000, -0.0001189900000000, 0.0010275000000000 ] - [ -0.0029875600000000, 0.0000000000000000, -0.0009303000000000 ] - [ -0.0033604500000000, 0.0000984500000000, -0.0008999500000000 ] - [ -0.0035706000000000, 0.0000000000000000, -0.0010172500000000 ] - [ -0.0033604500000000, -0.0000984500000000, -0.0008999500000000 ] - [ -0.0174929500000000, -0.0138648900000000, 0.0115891700000000 ] - [ -0.0174929500000000, 0.0138648900000000, 0.0115891700000000 ] - [ 0.0032643200000000, -0.0004881200000000, -0.0009411400000000 ] - [ 0.0032643200000000, 0.0004881200000000, -0.0009411400000000 ] - [ -0.0097836300000000, 0.0000000000000000, -0.0016654900000000 ] - [ -0.0053285300000000, -0.0001216300000000, 0.0008365300000000 ] - [ -0.0045880200000000, 0.0000000000000000, 0.0009406100000000 ] - [ -0.0053285300000000, 0.0001216300000000, 0.0008365300000000 ] - [ -0.0027092200000000, 0.0000000000000000, -0.0004908800000000 ] - [ -0.0021719100000000, -0.0003285200000000, -0.0007536400000000 ] - [ -0.0019707000000000, 0.0000000000000000, -0.0009902600000000 ] - [ -0.0021719100000000, 0.0003285200000000, -0.0007536400000000 ] - [ 0.0008535200000000, -0.0002019400000000, 0.0006199800000000 ] - [ 0.0008535200000000, 0.0002019400000000, 0.0006199800000000 ] - [ 0.0013943400000000, 0.0000109500000000, 0.0009609200000000 ] - [ 0.0013943400000000, -0.0000109500000000, 0.0009609200000000 ] - [ -0.0058536000000000, 0.0000000000000000, 0.0185208300000000 ] - [ -0.0016067700000000, 0.0012846300000000, 0.0019260700000000 ] - [ -0.0014616300000000, 0.0000000000000000, 0.0011791500000000 ] - [ -0.0016067700000000, -0.0012846300000000, 0.0019260700000000 ] - [ 0.0041910100000000, 0.0009333600000000, -0.0030346500000000 ] - [ 0.0041910100000000, -0.0009333600000000, -0.0030346500000000 ] - [ 0.0021627100000000, -0.0000139800000000, -0.0010298700000000 ] - [ 0.0021627100000000, 0.0000139800000000, -0.0010298700000000 ] - [ 0.0682329100000000, 0.0000000000000000, -0.0376092100000000 ] - [ 0.0018828800000000, -0.0003901700000000, 0.0007254000000000 ] - [ 0.0003486800000000, 0.0000000000000000, 0.0011157800000000 ] - [ 0.0018828800000000, 0.0003901700000000, 0.0007254000000000 ] - [ 0.0004639200000000, -0.0010830300000000, -0.0006978100000000 ] - [ 0.0004639200000000, 0.0010830300000000, -0.0006978100000000 ] - [ 0.0001920600000000, 0.0000863100000000, -0.0011964500000000 ] - [ 0.0001920600000000, -0.0000863100000000, -0.0011964500000000 ] - [ -0.0037019900000000, 0.0000000000000000, 0.0000692700000000 ] - [ -0.0008838700000000, -0.0001396200000000, -0.0015882800000000 ] - [ -0.0002061900000000, 0.0000000000000000, -0.0013262200000000 ] - [ -0.0008838700000000, 0.0001396200000000, -0.0015882800000000 ] - [ -0.0006604600000000, 0.0000577800000000, 0.0006868900000000 ] - [ -0.0006604600000000, -0.0000577800000000, 0.0006868900000000 ] - [ -0.0003203500000000, -0.0000961800000000, 0.0011511500000000 ] - [ -0.0003203500000000, 0.0000961800000000, 0.0011511500000000 ] - [ -0.0071287600000000, 0.0012679400000000, 0.0036711300000000 ] - [ -0.0071287600000000, -0.0012679400000000, 0.0036711300000000 ] - [ -0.0059549600000000, -0.0003208800000000, 0.0021405600000000 ] - [ -0.0059549600000000, 0.0003208800000000, 0.0021405600000000 ] - [ 0.0056566900000000, 0.0000000000000000, -0.0017302900000000 ] - [ 0.0057251700000000, -0.0000052800000000, -0.0015288000000000 ] - [ 0.0056426900000000, 0.0000000000000000, -0.0014945600000000 ] - [ 0.0057251700000000, 0.0000052800000000, -0.0015288000000000 ] - [ -0.0165535200000000, -0.0059282000000000, -0.0017274400000000 ] - [ -0.0165535200000000, 0.0059282000000000, -0.0017274400000000 ] - [ -0.0055470800000000, 0.0003874400000000, -0.0016960300000000 ] - [ -0.0055470800000000, -0.0003874400000000, -0.0016960300000000 ] - [ 0.0062318500000000, 0.0000000000000000, 0.0019652100000000 ] - [ 0.0062915200000000, -0.0004847300000000, 0.0019086700000000 ] - [ 0.0060368700000000, 0.0000000000000000, 0.0018956500000000 ] - [ 0.0062915200000000, 0.0004847300000000, 0.0019086700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007034200000000, 0.0033844700000000, 0.0080814100000000 ] - [ -0.0000773200000000, -0.0004442400000000, 0.0100976900000000 ] - [ 0.0006991900000000, -0.0005574200000000, 0.0080732500000000 ] - [ 0.0014662000000000, -0.0004430900000000, 0.0060665100000000 ] - [ -0.0007830900000000, 0.0000912700000000, -0.0079306400000000 ] - [ -0.0006189300000000, 0.0000929000000000, -0.0082100400000000 ] - [ -0.0006039300000000, -0.0001338100000000, -0.0080408000000000 ] - [ -0.0007953600000000, -0.0001350000000000, -0.0080992800000000 ] - [ 0.0007011300000000, 0.0026610400000000, -0.0080784800000000 ] - [ 0.0020011000000000, -0.0010798000000000, -0.0089195300000000 ] - [ 0.0007013200000000, -0.0008600500000000, -0.0080719100000000 ] - [ -0.0005986300000000, -0.0010834500000000, -0.0072249800000000 ] - [ 0.0001917800000000, 0.0003263100000000, 0.0085238800000000 ] - [ -0.0015975200000000, 0.0003286000000000, 0.0076176600000000 ] - [ -0.0008778100000000, -0.0003372900000000, 0.0079704800000000 ] - [ -0.0005229300000000, -0.0003393300000000, 0.0081682600000000 ] - [ -0.0012655300000000, 0.0043820100000000, -0.0077605700000000 ] - [ -0.0037263200000000, -0.0006975400000000, -0.0079615900000000 ] - [ -0.0012475300000000, -0.0006710300000000, -0.0077523200000000 ] - [ 0.0012099000000000, -0.0006956900000000, -0.0075475700000000 ] - [ 0.0009008200000000, 0.0002272500000000, 0.0078788000000000 ] - [ 0.0015863900000000, 0.0002327500000000, 0.0076285100000000 ] - [ 0.0013933600000000, -0.0002008300000000, 0.0075027000000000 ] - [ 0.0010969100000000, -0.0002021800000000, 0.0079978900000000 ] - [ -0.0012456400000000, 0.0028200700000000, 0.0077516900000000 ] - [ -0.0006321700000000, -0.0009468600000000, 0.0095940600000000 ] - [ -0.0012438800000000, -0.0007055800000000, 0.0077532700000000 ] - [ -0.0018499400000000, -0.0009488900000000, 0.0059124200000000 ] - [ 0.0012567300000000, 0.0002460800000000, -0.0075850300000000 ] - [ 0.0012340800000000, 0.0002479400000000, -0.0079215400000000 ] - [ 0.0012444300000000, -0.0002980400000000, -0.0078553200000000 ] - [ 0.0012454300000000, -0.0002997900000000, -0.0076464800000000 ] - [ 0.0046657000000000, 0.0010351300000000, 0.0003127500000000 ] - [ 0.0034414600000000, 0.0010495600000000, 0.0017125700000000 ] - [ 0.0040434700000000, -0.0009485200000000, 0.0013056200000000 ] - [ 0.0040643900000000, -0.0009495600000000, 0.0007205100000000 ] - [ -0.0040540700000000, 0.0005267900000000, -0.0010122200000000 ] - [ -0.0042997200000000, 0.0000729400000000, -0.0007270600000000 ] - [ -0.0040556800000000, -0.0006819400000000, -0.0010101900000000 ] - [ -0.0038137200000000, 0.0000653700000000, -0.0012914200000000 ] - [ 0.0166751700000000, 0.0427766200000000, -0.0156454100000000 ] - [ -0.0098981300000000, 0.0449939900000000, 0.0152198900000000 ] - [ 0.0065791600000000, -0.0059496100000000, -0.0039002700000000 ] - [ 0.0015618100000000, -0.0059295400000000, 0.0018416400000000 ] - [ -0.0040320500000000, 0.0067186900000000, 0.0010234800000000 ] - [ -0.0031071400000000, -0.0029675600000000, -0.0020721000000000 ] - [ -0.0040545100000000, -0.0019795800000000, 0.0010060700000000 ] - [ -0.0050042000000000, -0.0029759200000000, 0.0040809500000000 ] - [ -0.0017329500000000, -0.0006404100000000, -0.0010554700000000 ] - [ -0.0014719700000000, 0.0001578900000000, -0.0016137900000000 ] - [ -0.0017261100000000, 0.0004365500000000, -0.0010567700000000 ] - [ -0.0019772100000000, 0.0001597100000000, -0.0005030800000000 ] - [ 0.0016747000000000, -0.0004001300000000, 0.0011096400000000 ] - [ 0.0017781100000000, -0.0004067500000000, 0.0010004200000000 ] - [ 0.0017066800000000, 0.0003932100000000, 0.0008873900000000 ] - [ 0.0017461200000000, 0.0003947600000000, 0.0012212400000000 ] - [ -0.0017080900000000, -0.0086185100000000, 0.0010038300000000 ] - [ -0.0031125100000000, 0.0018169400000000, 0.0031674500000000 ] - [ -0.0017272800000000, 0.0011715100000000, 0.0010570900000000 ] - [ -0.0003380900000000, 0.0018447500000000, -0.0010605200000000 ] - [ 0.0003480700000000, 0.0019440300000000, -0.0109653200000000 ] - [ 0.0031407400000000, 0.0019276100000000, 0.0089475300000000 ] - [ 0.0020499500000000, 0.0014997600000000, -0.0000417100000000 ] - [ 0.0014056100000000, 0.0014989300000000, -0.0020535900000000 ] - [ 0.0014469100000000, -0.1173140100000000, -0.0004077700000000 ] - [ -0.0002736400000000, 0.0123390900000000, 0.0022216700000000 ] - [ 0.0000938300000000, 0.0035383600000000, 0.0011920300000000 ] - [ 0.0004712000000000, 0.0121351000000000, 0.0001546100000000 ] - [ 0.0009865000000000, -0.0006538600000000, -0.0023905500000000 ] - [ -0.0011781700000000, -0.0006622000000000, 0.0000054300000000 ] - [ -0.0001805900000000, 0.0004812500000000, -0.0008454100000000 ] - [ -0.0000064700000000, 0.0004844600000000, -0.0015375300000000 ] - [ 0.0000938700000000, -0.0009377400000000, -0.0011891800000000 ] - [ -0.0000493600000000, 0.0004107200000000, -0.0015675500000000 ] - [ 0.0000932200000000, 0.0005275800000000, -0.0011930500000000 ] - [ 0.0002358700000000, 0.0004113000000000, -0.0008185200000000 ] - [ -0.0001519200000000, -0.0001665500000000, 0.0010859000000000 ] - [ -0.0000368300000000, -0.0001677100000000, 0.0012969500000000 ] - [ 0.0000042400000000, 0.0001832000000000, 0.0012422000000000 ] - [ -0.0001895100000000, 0.0001852400000000, 0.0011421700000000 ] - [ -0.0081289300000000, -0.0006349600000000, 0.0030570100000000 ] - [ -0.0034445600000000, -0.0006441200000000, 0.0004783500000000 ] - [ -0.0057340500000000, 0.0006754600000000, 0.0016512000000000 ] - [ -0.0058626300000000, 0.0006757300000000, 0.0018964000000000 ] - [ 0.0057994600000000, -0.0003978000000000, -0.0017752500000000 ] - [ 0.0058447400000000, -0.0001115000000000, -0.0018093600000000 ] - [ 0.0058005900000000, 0.0005644400000000, -0.0017748800000000 ] - [ 0.0057564800000000, -0.0001047000000000, -0.0017417800000000 ] - [ 0.0052525900000000, 0.0020627000000000, -0.0009315400000000 ] - [ -0.0169463600000000, 0.0020423100000000, -0.0026213000000000 ] - [ -0.0071361500000000, 0.0013963000000000, -0.0021299600000000 ] - [ -0.0044809800000000, 0.0013954400000000, -0.0014206200000000 ] - [ 0.0058027000000000, -0.0014608400000000, 0.0017781100000000 ] - [ 0.0067310100000000, 0.0004702000000000, 0.0029376400000000 ] - [ 0.0058014000000000, 0.0008012200000000, 0.0017754600000000 ] - [ 0.0048721300000000, 0.0004784000000000, 0.0006175800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0030767100000000, 0.0000000000000000, 0.0121680700000000 ] - [ 0.0008121500000000, 0.0011328900000000, 0.0083952400000000 ] - [ 0.0007583000000000, 0.0000000000000000, 0.0082053300000000 ] - [ 0.0008121500000000, -0.0011328900000000, 0.0083952400000000 ] - [ -0.0009902400000000, -0.0001319100000000, -0.0093099300000000 ] - [ -0.0009902400000000, 0.0001319100000000, -0.0093099300000000 ] - [ -0.0008492900000000, -0.0000350900000000, -0.0083194200000000 ] - [ -0.0008492900000000, 0.0000350900000000, -0.0083194200000000 ] - [ 0.0021561200000000, 0.0000000000000000, -0.0063862700000000 ] - [ 0.0010608900000000, -0.0002564200000000, -0.0077520200000000 ] - [ 0.0007807200000000, 0.0000000000000000, -0.0079359000000000 ] - [ 0.0010608900000000, 0.0002564200000000, -0.0077520200000000 ] - [ -0.0015762900000000, 0.0001586800000000, 0.0073980800000000 ] - [ -0.0015762900000000, -0.0001586800000000, 0.0073980800000000 ] - [ -0.0007633500000000, -0.0001162800000000, 0.0080276200000000 ] - [ -0.0007633500000000, 0.0001162800000000, 0.0080276200000000 ] - [ 0.0015759500000000, 0.0000000000000000, -0.0027294700000000 ] - [ -0.0014398400000000, 0.0001143600000000, -0.0065255500000000 ] - [ -0.0013312400000000, 0.0000000000000000, -0.0074383900000000 ] - [ -0.0014398400000000, -0.0001143600000000, -0.0065255500000000 ] - [ 0.0021629300000000, 0.0006571200000000, 0.0062648600000000 ] - [ 0.0021629300000000, -0.0006571200000000, 0.0062648600000000 ] - [ 0.0013847300000000, -0.0001231700000000, 0.0074260200000000 ] - [ 0.0013847300000000, 0.0001231700000000, 0.0074260200000000 ] - [ -0.0040871500000000, 0.0000000000000000, 0.0087335600000000 ] - [ -0.0013694200000000, 0.0002348800000000, 0.0083005100000000 ] - [ -0.0012004600000000, 0.0000000000000000, 0.0079255900000000 ] - [ -0.0013694200000000, -0.0002348800000000, 0.0083005100000000 ] - [ 0.0013562600000000, -0.0001396000000000, -0.0094937000000000 ] - [ 0.0013562600000000, 0.0001396000000000, -0.0094937000000000 ] - [ 0.0012782200000000, -0.0000612800000000, -0.0082546400000000 ] - [ 0.0012782200000000, 0.0000612800000000, -0.0082546400000000 ] - [ 0.0053398300000000, -0.0010379600000000, 0.0012499500000000 ] - [ 0.0053398300000000, 0.0010379600000000, 0.0012499500000000 ] - [ 0.0042565600000000, 0.0003815300000000, 0.0010425900000000 ] - [ 0.0042565600000000, -0.0003815300000000, 0.0010425900000000 ] - [ -0.0031130200000000, 0.0000000000000000, -0.0027963900000000 ] - [ -0.0037582400000000, 0.0005105100000000, -0.0016844800000000 ] - [ -0.0039342800000000, 0.0000000000000000, -0.0012208100000000 ] - [ -0.0037582400000000, -0.0005105100000000, -0.0016844800000000 ] - [ -0.0093158800000000, -0.0184356400000000, 0.0281050300000000 ] - [ -0.0093158800000000, 0.0184356400000000, 0.0281050300000000 ] - [ 0.0036852400000000, -0.0006945500000000, 0.0000746800000000 ] - [ 0.0036852400000000, 0.0006945500000000, 0.0000746800000000 ] - [ -0.0082817300000000, 0.0000000000000000, -0.0081233000000000 ] - [ -0.0034028400000000, -0.0042136500000000, -0.0013874900000000 ] - [ -0.0042561300000000, 0.0000000000000000, 0.0006580700000000 ] - [ -0.0034028400000000, 0.0042136500000000, -0.0013874900000000 ] - [ -0.0045590700000000, 0.0000000000000000, 0.0002199600000000 ] - [ -0.0018590500000000, -0.0005022400000000, -0.0008418400000000 ] - [ -0.0017590200000000, 0.0000000000000000, -0.0010105100000000 ] - [ -0.0018590500000000, 0.0005022400000000, -0.0008418400000000 ] - [ 0.0016090200000000, 0.0008309900000000, 0.0016614400000000 ] - [ 0.0016090200000000, -0.0008309900000000, 0.0016614400000000 ] - [ 0.0015532200000000, -0.0001429000000000, 0.0011999900000000 ] - [ 0.0015532200000000, 0.0001429000000000, 0.0011999900000000 ] - [ -0.0150717500000000, 0.0000000000000000, 0.0205192600000000 ] - [ -0.0026551800000000, 0.0021817000000000, 0.0009235100000000 ] - [ -0.0018445900000000, 0.0000000000000000, 0.0008749500000000 ] - [ -0.0026551800000000, -0.0021817000000000, 0.0009235100000000 ] - [ 0.0038757400000000, -0.0069779600000000, 0.0063481500000000 ] - [ 0.0038757400000000, 0.0069779600000000, 0.0063481500000000 ] - [ 0.0019975700000000, 0.0006569200000000, -0.0011832000000000 ] - [ 0.0019975700000000, -0.0006569200000000, -0.0011832000000000 ] - [ 0.0389050100000000, 0.0000000000000000, -0.0846848700000000 ] - [ 0.0005581400000000, -0.0010480700000000, -0.0007867900000000 ] - [ 0.0001692600000000, 0.0000000000000000, 0.0009808200000000 ] - [ 0.0005581400000000, 0.0010480700000000, -0.0007867900000000 ] - [ -0.0005920500000000, -0.0011989000000000, 0.0014060500000000 ] - [ -0.0005920500000000, 0.0011989000000000, 0.0014060500000000 ] - [ -0.0000911100000000, 0.0003460000000000, -0.0008657300000000 ] - [ -0.0000911100000000, -0.0003460000000000, -0.0008657300000000 ] - [ 0.0013568400000000, 0.0000000000000000, -0.0030173800000000 ] - [ -0.0002998900000000, -0.0003728200000000, -0.0015902300000000 ] - [ -0.0000402100000000, 0.0000000000000000, -0.0013015700000000 ] - [ -0.0002998900000000, 0.0003728200000000, -0.0015902300000000 ] - [ -0.0005982500000000, 0.0001050000000000, 0.0020639400000000 ] - [ -0.0005982500000000, -0.0001050000000000, 0.0020639400000000 ] - [ -0.0001338400000000, -0.0000489900000000, 0.0013817900000000 ] - [ -0.0001338400000000, 0.0000489900000000, 0.0013817900000000 ] - [ -0.0079263400000000, 0.0011016200000000, 0.0009289500000000 ] - [ -0.0079263400000000, -0.0011016200000000, 0.0009289500000000 ] - [ -0.0061463200000000, -0.0001975700000000, 0.0011271300000000 ] - [ -0.0061463200000000, 0.0001975700000000, 0.0011271300000000 ] - [ 0.0057238000000000, 0.0000000000000000, -0.0008726600000000 ] - [ 0.0060497700000000, 0.0000677100000000, -0.0007083000000000 ] - [ 0.0059289800000000, 0.0000000000000000, -0.0012922500000000 ] - [ 0.0060497700000000, -0.0000677100000000, -0.0007083000000000 ] - [ -0.0060999300000000, -0.0000610200000000, -0.0053322000000000 ] - [ -0.0060999300000000, 0.0000610200000000, -0.0053322000000000 ] - [ -0.0057976800000000, 0.0000753200000000, -0.0023045000000000 ] - [ -0.0057976800000000, -0.0000753200000000, -0.0023045000000000 ] - [ 0.0069687500000000, 0.0000000000000000, 0.0040031300000000 ] - [ 0.0067771800000000, 0.0002260800000000, 0.0040960000000000 ] - [ 0.0058934400000000, 0.0000000000000000, 0.0023580400000000 ] - [ 0.0067771800000000, -0.0002260800000000, 0.0040960000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0015598800000000, 0.0000000000000000, 0.0036390000000000 ] - [ 0.0005925700000000, -0.0011418000000000, 0.0077392100000000 ] - [ 0.0006445400000000, 0.0000000000000000, 0.0079389900000000 ] - [ 0.0005925700000000, 0.0011418000000000, 0.0077392100000000 ] - [ -0.0004089500000000, 0.0001350900000000, -0.0068328600000000 ] - [ -0.0004089500000000, -0.0001350900000000, -0.0068328600000000 ] - [ -0.0005530200000000, 0.0000349200000000, -0.0078293600000000 ] - [ -0.0005530200000000, -0.0000349200000000, -0.0078293600000000 ] - [ -0.0007603200000000, 0.0000000000000000, -0.0097560100000000 ] - [ 0.0003356700000000, 0.0002656600000000, -0.0083914800000000 ] - [ 0.0006230400000000, 0.0000000000000000, -0.0082124200000000 ] - [ 0.0003356700000000, -0.0002656600000000, -0.0083914800000000 ] - [ 0.0001695600000000, -0.0001601000000000, 0.0087582400000000 ] - [ 0.0001695600000000, 0.0001601000000000, 0.0087582400000000 ] - [ -0.0006424400000000, 0.0001150300000000, 0.0081240300000000 ] - [ -0.0006424400000000, -0.0001150300000000, 0.0081240300000000 ] - [ -0.0040473500000000, 0.0000000000000000, -0.0128302700000000 ] - [ -0.0010429100000000, -0.0001126700000000, -0.0089920900000000 ] - [ -0.0011567600000000, 0.0000000000000000, -0.0080756100000000 ] - [ -0.0010429100000000, 0.0001126700000000, -0.0089920900000000 ] - [ 0.0003293000000000, -0.0006525000000000, 0.0092465600000000 ] - [ 0.0003293000000000, 0.0006525000000000, 0.0092465600000000 ] - [ 0.0011052200000000, 0.0001224400000000, 0.0080894600000000 ] - [ 0.0011052200000000, -0.0001224400000000, 0.0080894600000000 ] - [ 0.0015963700000000, 0.0000000000000000, 0.0067353600000000 ] - [ -0.0011208000000000, -0.0002316900000000, 0.0071977300000000 ] - [ -0.0012899900000000, 0.0000000000000000, 0.0075835000000000 ] - [ -0.0011208000000000, 0.0002316900000000, 0.0071977300000000 ] - [ 0.0011291000000000, 0.0001439400000000, -0.0060004600000000 ] - [ 0.0011291000000000, -0.0001439400000000, -0.0060004600000000 ] - [ 0.0012106200000000, 0.0000597800000000, -0.0072544800000000 ] - [ 0.0012106200000000, -0.0000597800000000, -0.0072544800000000 ] - [ 0.0027678700000000, 0.0010470400000000, 0.0007477000000000 ] - [ 0.0027678700000000, -0.0010470400000000, 0.0007477000000000 ] - [ 0.0038586300000000, -0.0003848900000000, 0.0009608100000000 ] - [ 0.0038586300000000, 0.0003848900000000, 0.0009608100000000 ] - [ -0.0050168100000000, 0.0000000000000000, 0.0007986400000000 ] - [ -0.0043639100000000, -0.0005161500000000, -0.0003229000000000 ] - [ -0.0041867200000000, 0.0000000000000000, -0.0007880700000000 ] - [ -0.0043639100000000, 0.0005161500000000, -0.0003229000000000 ] - [ 0.0169681200000000, 0.0175118800000000, -0.0299007200000000 ] - [ 0.0169681200000000, -0.0175118800000000, -0.0299007200000000 ] - [ 0.0044254200000000, 0.0007102200000000, -0.0020631700000000 ] - [ 0.0044254200000000, -0.0007102200000000, -0.0020631700000000 ] - [ 0.0001581500000000, 0.0000000000000000, 0.0101188800000000 ] - [ -0.0047089200000000, 0.0042121200000000, 0.0034020000000000 ] - [ -0.0038648600000000, 0.0000000000000000, 0.0013519000000000 ] - [ -0.0047089200000000, -0.0042121200000000, 0.0034020000000000 ] - [ 0.0011542900000000, 0.0000000000000000, -0.0023267400000000 ] - [ -0.0015760800000000, 0.0005073100000000, -0.0012592100000000 ] - [ -0.0016766100000000, 0.0000000000000000, -0.0010911900000000 ] - [ -0.0015760800000000, -0.0005073100000000, -0.0012592100000000 ] - [ 0.0018289700000000, -0.0008397000000000, 0.0004422100000000 ] - [ 0.0018289700000000, 0.0008397000000000, 0.0004422100000000 ] - [ 0.0018849000000000, 0.0001445500000000, 0.0009049700000000 ] - [ 0.0018849000000000, -0.0001445500000000, 0.0009049700000000 ] - [ 0.0113481600000000, 0.0000000000000000, -0.0181533600000000 ] - [ -0.0007787300000000, -0.0021950300000000, 0.0011619100000000 ] - [ -0.0015916600000000, 0.0000000000000000, 0.0012253400000000 ] - [ -0.0007787300000000, 0.0021950300000000, 0.0011619100000000 ] - [ -0.0004234900000000, 0.0069083800000000, -0.0084057500000000 ] - [ -0.0004234900000000, -0.0069083800000000, -0.0084057500000000 ] - [ 0.0014366400000000, -0.0006554700000000, -0.0009275000000000 ] - [ 0.0014366400000000, 0.0006554700000000, -0.0009275000000000 ] - [ -0.0378202300000000, 0.0000000000000000, 0.0866889600000000 ] - [ -0.0003826300000000, 0.0010185800000000, 0.0031890800000000 ] - [ 0.0000068000000000, 0.0000000000000000, 0.0014109100000000 ] - [ -0.0003826300000000, -0.0010185800000000, 0.0031890800000000 ] - [ 0.0004144600000000, 0.0011975500000000, -0.0037989600000000 ] - [ 0.0004144600000000, -0.0011975500000000, -0.0037989600000000 ] - [ -0.0000862800000000, -0.0003461200000000, -0.0015294700000000 ] - [ -0.0000862800000000, 0.0003461200000000, -0.0015294700000000 ] - [ -0.0011932600000000, 0.0000000000000000, 0.0006457400000000 ] - [ 0.0004821500000000, 0.0003748500000000, -0.0007958700000000 ] - [ 0.0002187100000000, 0.0000000000000000, -0.0010877000000000 ] - [ 0.0004821500000000, -0.0003748500000000, -0.0007958700000000 ] - [ 0.0004256600000000, -0.0001068600000000, 0.0003234100000000 ] - [ 0.0004256600000000, 0.0001068600000000, 0.0003234100000000 ] - [ -0.0000413500000000, 0.0000514400000000, 0.0010093600000000 ] - [ -0.0000413500000000, -0.0000514400000000, 0.0010093600000000 ] - [ -0.0036670900000000, -0.0011163900000000, 0.0026280300000000 ] - [ -0.0036670900000000, 0.0011163900000000, 0.0026280300000000 ] - [ -0.0054658300000000, 0.0001988700000000, 0.0024353300000000 ] - [ -0.0054658300000000, -0.0001988700000000, 0.0024353300000000 ] - [ 0.0058937500000000, 0.0000000000000000, -0.0026876000000000 ] - [ 0.0055649600000000, -0.0000634300000000, -0.0028485600000000 ] - [ 0.0056828000000000, 0.0000000000000000, -0.0022650300000000 ] - [ 0.0055649600000000, 0.0000634300000000, -0.0028485600000000 ] - [ -0.0054616400000000, 0.0000962000000000, 0.0017934900000000 ] - [ -0.0054616400000000, -0.0000962000000000, 0.0017934900000000 ] - [ -0.0058151000000000, -0.0000791800000000, -0.0012466000000000 ] - [ -0.0058151000000000, 0.0000791800000000, -0.0012466000000000 ] - [ 0.0046458600000000, 0.0000000000000000, -0.0004559300000000 ] - [ 0.0048431200000000, -0.0002181000000000, -0.0005528900000000 ] - [ 0.0057244600000000, 0.0000000000000000, 0.0011903300000000 ] - [ 0.0048431200000000, 0.0002181000000000, -0.0005528900000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0093781200000000, -0.0060151200000000, 0.0114020900000000 ] - [ 0.0020629400000000, 0.0004241100000000, 0.0091184400000000 ] - [ 0.0020629400000000, -0.0004241100000000, 0.0091184400000000 ] - [ 0.0093781200000000, 0.0060151200000000, 0.0114020900000000 ] - [ -0.0017017300000000, 0.0000000000000000, -0.0083261000000000 ] - [ -0.0017578800000000, -0.0000144000000000, -0.0083374200000000 ] - [ -0.0011663300000000, 0.0000000000000000, -0.0081775700000000 ] - [ -0.0017578800000000, 0.0000144000000000, -0.0083374200000000 ] - [ -0.0005140400000000, -0.0001190500000000, -0.0100870800000000 ] - [ 0.0005398300000000, -0.0001470400000000, -0.0082606300000000 ] - [ 0.0005398300000000, 0.0001470400000000, -0.0082606300000000 ] - [ -0.0005140400000000, 0.0001190500000000, -0.0100870800000000 ] - [ -0.0004061400000000, 0.0000000000000000, 0.0080357800000000 ] - [ -0.0003631300000000, -0.0000433100000000, 0.0080391500000000 ] - [ -0.0003702900000000, 0.0000000000000000, 0.0079576800000000 ] - [ -0.0003631300000000, 0.0000433100000000, 0.0080391500000000 ] - [ 0.0028313800000000, 0.0006992300000000, -0.0080521700000000 ] - [ -0.0010465100000000, -0.0002022400000000, -0.0074257400000000 ] - [ -0.0010465100000000, 0.0002022400000000, -0.0074257400000000 ] - [ 0.0028313800000000, -0.0006992300000000, -0.0080521700000000 ] - [ 0.0010664700000000, 0.0000000000000000, 0.0077616400000000 ] - [ 0.0010671400000000, -0.0000740000000000, 0.0077253600000000 ] - [ 0.0011716100000000, 0.0000000000000000, 0.0076487300000000 ] - [ 0.0010671400000000, 0.0000740000000000, 0.0077253600000000 ] - [ -0.0049469800000000, 0.0000802200000000, 0.0083745600000000 ] - [ -0.0018475700000000, -0.0001325500000000, 0.0078058800000000 ] - [ -0.0018475700000000, 0.0001325500000000, 0.0078058800000000 ] - [ -0.0049469800000000, -0.0000802200000000, 0.0083745600000000 ] - [ 0.0024331300000000, 0.0000000000000000, -0.0077916300000000 ] - [ 0.0022390900000000, -0.0003823500000000, -0.0080485800000000 ] - [ 0.0016878400000000, 0.0000000000000000, -0.0080715000000000 ] - [ 0.0022390900000000, 0.0003823500000000, -0.0080485800000000 ] - [ 0.0834287300000000, 0.0000000000000000, -0.0362241600000000 ] - [ 0.0069399300000000, -0.0071250300000000, 0.0020579200000000 ] - [ 0.0053683900000000, 0.0000000000000000, 0.0008571600000000 ] - [ 0.0069399300000000, 0.0071250300000000, 0.0020579200000000 ] - [ -0.0067371000000000, -0.0003757800000000, 0.0026959200000000 ] - [ -0.0040063800000000, -0.0010611000000000, -0.0002943200000000 ] - [ -0.0040063800000000, 0.0010611000000000, -0.0002943200000000 ] - [ -0.0067371000000000, 0.0003757800000000, 0.0026959200000000 ] - [ 0.0022588100000000, 0.0000000000000000, 0.0004190100000000 ] - [ 0.0033147400000000, 0.0009402700000000, -0.0001511100000000 ] - [ 0.0035901400000000, 0.0000000000000000, -0.0008040700000000 ] - [ 0.0033147400000000, -0.0009402700000000, -0.0001511100000000 ] - [ -0.0040519200000000, -0.0000885300000000, 0.0008751800000000 ] - [ -0.0043235500000000, -0.0001941500000000, 0.0007195900000000 ] - [ -0.0043235500000000, 0.0001941500000000, 0.0007195900000000 ] - [ -0.0040519200000000, 0.0000885300000000, 0.0008751800000000 ] - [ -0.0011170300000000, 0.0060079900000000, -0.0078686200000000 ] - [ -0.0023987400000000, 0.0008176000000000, -0.0010068800000000 ] - [ -0.0023987400000000, -0.0008176000000000, -0.0010068800000000 ] - [ -0.0011170300000000, -0.0060079900000000, -0.0078686200000000 ] - [ 0.0040150500000000, 0.0000000000000000, -0.0009185600000000 ] - [ 0.0029353000000000, 0.0014170800000000, -0.0003291700000000 ] - [ 0.0019002000000000, 0.0000000000000000, 0.0007497500000000 ] - [ 0.0029353000000000, -0.0014170800000000, -0.0003291700000000 ] - [ -0.0012661200000000, 0.0000961900000000, 0.0006248000000000 ] - [ -0.0015907600000000, 0.0000946200000000, 0.0010525700000000 ] - [ -0.0015907600000000, -0.0000946200000000, 0.0010525700000000 ] - [ -0.0012661200000000, -0.0000961900000000, 0.0006248000000000 ] - [ 0.0012446200000000, 0.0000000000000000, -0.0010555500000000 ] - [ 0.0012830200000000, 0.0003605000000000, -0.0008661700000000 ] - [ 0.0017951300000000, 0.0000000000000000, -0.0009740900000000 ] - [ 0.0012830200000000, -0.0003605000000000, -0.0008661700000000 ] - [ 0.0014154100000000, -0.0023184700000000, -0.0009329700000000 ] - [ 0.0002486300000000, -0.0000617500000000, 0.0008473400000000 ] - [ 0.0002486300000000, 0.0000617500000000, 0.0008473400000000 ] - [ 0.0014154100000000, 0.0023184700000000, -0.0009329700000000 ] - [ 0.0000511200000000, 0.0000000000000000, -0.0012694600000000 ] - [ -0.0000171000000000, 0.0000440000000000, -0.0009459700000000 ] - [ 0.0000652700000000, 0.0000000000000000, -0.0010644600000000 ] - [ -0.0000171000000000, -0.0000440000000000, -0.0009459700000000 ] - [ 0.0108881100000000, 0.0111866000000000, -0.0008571900000000 ] - [ -0.0001584900000000, 0.0013327300000000, -0.0011938100000000 ] - [ -0.0001584900000000, -0.0013327300000000, -0.0011938100000000 ] - [ 0.0108881100000000, -0.0111866000000000, -0.0008571900000000 ] - [ -0.0005318700000000, 0.0000000000000000, 0.0000211900000000 ] - [ -0.0005902400000000, 0.0009283200000000, 0.0002138700000000 ] - [ -0.0003325600000000, 0.0000000000000000, 0.0010987200000000 ] - [ -0.0005902400000000, -0.0009283200000000, 0.0002138700000000 ] - [ -0.1256940200000000, 0.0000000000000000, 0.0463497300000000 ] - [ -0.0089975100000000, 0.0006635800000000, 0.0017007000000000 ] - [ -0.0081344600000000, 0.0000000000000000, 0.0006374100000000 ] - [ -0.0089975100000000, -0.0006635800000000, 0.0017007000000000 ] - [ 0.0066619200000000, 0.0001725700000000, -0.0019231600000000 ] - [ 0.0065703700000000, -0.0000155300000000, -0.0016955600000000 ] - [ 0.0065703700000000, 0.0000155300000000, -0.0016955600000000 ] - [ 0.0066619200000000, -0.0001725700000000, -0.0019231600000000 ] - [ -0.0049717100000000, 0.0000000000000000, -0.0018246600000000 ] - [ -0.0046904800000000, 0.0000814800000000, -0.0014878600000000 ] - [ -0.0055387800000000, 0.0000000000000000, -0.0017625000000000 ] - [ -0.0046904800000000, -0.0000814800000000, -0.0014878600000000 ] - [ 0.0057632700000000, 0.0001876100000000, 0.0022323200000000 ] - [ 0.0056680400000000, -0.0001390200000000, 0.0026425000000000 ] - [ 0.0056680400000000, 0.0001390200000000, 0.0026425000000000 ] - [ 0.0057632700000000, -0.0001876100000000, 0.0022323200000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0081906400000000, 0.0062845100000000, 0.0045878600000000 ] - [ -0.0006814200000000, -0.0004323400000000, 0.0070088000000000 ] - [ -0.0006814200000000, 0.0004323400000000, 0.0070088000000000 ] - [ -0.0081906400000000, -0.0062845100000000, 0.0045878600000000 ] - [ 0.0003063900000000, 0.0000000000000000, -0.0078109100000000 ] - [ 0.0003645200000000, 0.0000155600000000, -0.0077978300000000 ] - [ -0.0002309400000000, 0.0000000000000000, -0.0079608200000000 ] - [ 0.0003645200000000, -0.0000155600000000, -0.0077978300000000 ] - [ 0.0019145300000000, 0.0001183400000000, -0.0060719600000000 ] - [ 0.0008629900000000, 0.0001459300000000, -0.0078842400000000 ] - [ 0.0008629900000000, -0.0001459300000000, -0.0078842400000000 ] - [ 0.0019145300000000, -0.0001183400000000, -0.0060719600000000 ] - [ -0.0009970600000000, 0.0000000000000000, 0.0081176000000000 ] - [ -0.0010422400000000, 0.0000458200000000, 0.0081150600000000 ] - [ -0.0010341000000000, 0.0000000000000000, 0.0081895400000000 ] - [ -0.0010422400000000, -0.0000458200000000, 0.0081150600000000 ] - [ -0.0053450100000000, -0.0007413600000000, -0.0074777500000000 ] - [ -0.0014473800000000, 0.0002073700000000, -0.0080895700000000 ] - [ -0.0014473800000000, -0.0002073700000000, -0.0080895700000000 ] - [ -0.0053450100000000, 0.0007413600000000, -0.0074777500000000 ] - [ 0.0014240100000000, 0.0000000000000000, 0.0077409700000000 ] - [ 0.0014232100000000, 0.0000745800000000, 0.0077792200000000 ] - [ 0.0013176100000000, 0.0000000000000000, 0.0078567300000000 ] - [ 0.0014232100000000, -0.0000745800000000, 0.0077792200000000 ] - [ 0.0024449700000000, -0.0000741300000000, 0.0071309500000000 ] - [ -0.0006417400000000, 0.0001298600000000, 0.0076970200000000 ] - [ -0.0006417400000000, -0.0001298600000000, 0.0076970200000000 ] - [ 0.0024449700000000, 0.0000741300000000, 0.0071309500000000 ] - [ 0.0000512900000000, 0.0000000000000000, -0.0077078200000000 ] - [ 0.0002442600000000, 0.0003826700000000, -0.0074411100000000 ] - [ 0.0007987800000000, 0.0000000000000000, -0.0074238200000000 ] - [ 0.0002442600000000, -0.0003826700000000, -0.0074411100000000 ] - [ -0.0710288300000000, 0.0000000000000000, 0.0353704300000000 ] - [ 0.0012054000000000, 0.0071122400000000, -0.0000157300000000 ] - [ 0.0027521200000000, 0.0000000000000000, 0.0011670400000000 ] - [ 0.0012054000000000, -0.0071122400000000, -0.0000157300000000 ] - [ -0.0013643900000000, 0.0003754300000000, -0.0047171300000000 ] - [ -0.0040997800000000, 0.0010633900000000, -0.0017253300000000 ] - [ -0.0040997800000000, -0.0010633900000000, -0.0017253300000000 ] - [ -0.0013643900000000, -0.0003754300000000, -0.0047171300000000 ] - [ 0.0058660900000000, 0.0000000000000000, -0.0024626400000000 ] - [ 0.0047876100000000, -0.0009510600000000, -0.0018857500000000 ] - [ 0.0045183900000000, 0.0000000000000000, -0.0012222100000000 ] - [ 0.0047876100000000, 0.0009510600000000, -0.0018857500000000 ] - [ -0.0040679700000000, 0.0000842500000000, 0.0011500000000000 ] - [ -0.0037908000000000, 0.0001975100000000, 0.0013076600000000 ] - [ -0.0037908000000000, -0.0001975100000000, 0.0013076600000000 ] - [ -0.0040679700000000, -0.0000842500000000, 0.0011500000000000 ] - [ -0.0023806000000000, -0.0059692400000000, 0.0057273700000000 ] - [ -0.0010545000000000, -0.0008179200000000, -0.0011015800000000 ] - [ -0.0010545000000000, 0.0008179200000000, -0.0011015800000000 ] - [ -0.0023806000000000, 0.0059692400000000, 0.0057273700000000 ] - [ -0.0005886700000000, 0.0000000000000000, 0.0030527200000000 ] - [ 0.0005135000000000, -0.0014181500000000, 0.0024290800000000 ] - [ 0.0015508900000000, 0.0000000000000000, 0.0013592300000000 ] - [ 0.0005135000000000, 0.0014181500000000, 0.0024290800000000 ] - [ -0.0021862700000000, -0.0000968400000000, 0.0014957900000000 ] - [ -0.0018580600000000, -0.0000954500000000, 0.0010610400000000 ] - [ -0.0018580600000000, 0.0000954500000000, 0.0010610400000000 ] - [ -0.0021862700000000, 0.0000968400000000, 0.0014957900000000 ] - [ 0.0022156300000000, 0.0000000000000000, -0.0010501200000000 ] - [ 0.0021860400000000, -0.0003672900000000, -0.0012501700000000 ] - [ 0.0016606100000000, 0.0000000000000000, -0.0011395100000000 ] - [ 0.0021860400000000, 0.0003672900000000, -0.0012501700000000 ] - [ -0.0012607600000000, 0.0023668000000000, 0.0033387500000000 ] - [ -0.0000571000000000, 0.0000663900000000, 0.0015416900000000 ] - [ -0.0000571000000000, -0.0000663900000000, 0.0015416900000000 ] - [ -0.0012607600000000, -0.0023668000000000, 0.0033387500000000 ] - [ -0.0002371400000000, 0.0000000000000000, -0.0011149400000000 ] - [ -0.0001675800000000, -0.0000438800000000, -0.0014448300000000 ] - [ -0.0002494500000000, 0.0000000000000000, -0.0013239500000000 ] - [ -0.0001675800000000, 0.0000438800000000, -0.0014448300000000 ] - [ -0.0105615100000000, -0.0110139200000000, -0.0015100800000000 ] - [ 0.0003400800000000, -0.0013221100000000, -0.0011901600000000 ] - [ 0.0003400800000000, 0.0013221100000000, -0.0011901600000000 ] - [ -0.0105615100000000, 0.0110139200000000, -0.0015100800000000 ] - [ 0.0003442700000000, 0.0000000000000000, 0.0023590100000000 ] - [ 0.0004042700000000, -0.0009309500000000, 0.0021627500000000 ] - [ 0.0001457700000000, 0.0000000000000000, 0.0012827900000000 ] - [ 0.0004042700000000, 0.0009309500000000, 0.0021627500000000 ] - [ 0.1101144000000000, 0.0000000000000000, -0.0396325600000000 ] - [ -0.0026002700000000, -0.0006938000000000, 0.0018648300000000 ] - [ -0.0034548500000000, 0.0000000000000000, 0.0029401200000000 ] - [ -0.0026002700000000, 0.0006938000000000, 0.0018648300000000 ] - [ 0.0049365100000000, -0.0001751600000000, -0.0016273900000000 ] - [ 0.0050249400000000, 0.0000170200000000, -0.0018575000000000 ] - [ 0.0050249400000000, -0.0000170200000000, -0.0018575000000000 ] - [ 0.0049365100000000, 0.0001751600000000, -0.0016273900000000 ] - [ -0.0066344500000000, 0.0000000000000000, -0.0017156600000000 ] - [ -0.0069125900000000, -0.0000773700000000, -0.0020552900000000 ] - [ -0.0060621300000000, 0.0000000000000000, -0.0017828000000000 ] - [ -0.0069125900000000, 0.0000773700000000, -0.0020552900000000 ] - [ 0.0058427600000000, -0.0001891200000000, 0.0013100500000000 ] - [ 0.0059407200000000, 0.0001389400000000, 0.0008912600000000 ] - [ 0.0059407200000000, -0.0001389400000000, 0.0008912600000000 ] - [ 0.0058427600000000, 0.0001891200000000, 0.0013100500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019645100000000, 0.0062740200000000, 0.0047440500000000 ] - [ 0.0008178700000000, -0.0019282600000000, 0.0081434700000000 ] - [ 0.0005817500000000, -0.0019249700000000, 0.0079999200000000 ] - [ 0.0031168200000000, 0.0060736400000000, 0.0112236700000000 ] - [ -0.0006971900000000, 0.0006830400000000, -0.0080695600000000 ] - [ -0.0003067900000000, -0.0000960300000000, -0.0075747000000000 ] - [ -0.0006990300000000, -0.0004452500000000, -0.0080702900000000 ] - [ -0.0010879200000000, -0.0000956200000000, -0.0085648500000000 ] - [ -0.0000981200000000, 0.0004307100000000, -0.0086774300000000 ] - [ 0.0005960000000000, -0.0004683100000000, -0.0082671100000000 ] - [ 0.0008037700000000, -0.0004693700000000, -0.0078728200000000 ] - [ 0.0015021300000000, 0.0004296000000000, -0.0074535000000000 ] - [ -0.0007001900000000, 0.0010168100000000, 0.0080657200000000 ] - [ -0.0004265000000000, -0.0001653600000000, 0.0072606800000000 ] - [ -0.0006995500000000, -0.0005385000000000, 0.0080694900000000 ] - [ -0.0009740100000000, -0.0001631000000000, 0.0088710700000000 ] - [ 0.0013428300000000, 0.0054684500000000, -0.0045885800000000 ] - [ -0.0011386100000000, -0.0017994100000000, -0.0079647800000000 ] - [ -0.0013508400000000, -0.0017983100000000, -0.0075391600000000 ] - [ -0.0038168300000000, 0.0053074100000000, -0.0106570200000000 ] - [ 0.0012447700000000, 0.0004244300000000, 0.0077511500000000 ] - [ 0.0012525300000000, -0.0000073100000000, 0.0077124800000000 ] - [ 0.0012447100000000, -0.0004304700000000, 0.0077514900000000 ] - [ 0.0012370900000000, -0.0000076900000000, 0.0077901200000000 ] - [ -0.0018618500000000, 0.0006491900000000, 0.0073367200000000 ] - [ -0.0012906500000000, -0.0006382900000000, 0.0076771200000000 ] - [ -0.0011961200000000, -0.0006391000000000, 0.0078249300000000 ] - [ -0.0006129400000000, 0.0006498400000000, 0.0081622700000000 ] - [ 0.0012424500000000, 0.0008568100000000, -0.0077551600000000 ] - [ 0.0013431300000000, -0.0000287500000000, -0.0069981100000000 ] - [ 0.0012442200000000, -0.0004882300000000, -0.0077513700000000 ] - [ 0.0011424400000000, -0.0000304400000000, -0.0085064300000000 ] - [ 0.0038923700000000, 0.0137098600000000, 0.0011014800000000 ] - [ 0.0019467100000000, -0.0042361300000000, 0.0026294900000000 ] - [ 0.0040524900000000, -0.0024864300000000, 0.0010113000000000 ] - [ 0.0061323300000000, -0.0042643600000000, -0.0005917000000000 ] - [ -0.0063875100000000, 0.0020044400000000, 0.0010927500000000 ] - [ -0.0043272400000000, -0.0017469900000000, -0.0006837200000000 ] - [ -0.0037842800000000, -0.0017538100000000, -0.0013440000000000 ] - [ -0.0017054800000000, 0.0020048900000000, -0.0031416200000000 ] - [ 0.0040558000000000, 0.0034149000000000, -0.0010078300000000 ] - [ 0.0051270000000000, -0.0009432200000000, -0.0015258200000000 ] - [ 0.0040569200000000, -0.0016938200000000, -0.0010098300000000 ] - [ 0.0029839100000000, -0.0009475400000000, -0.0004927600000000 ] - [ -0.0039042500000000, 0.0013713700000000, 0.0002544800000000 ] - [ -0.0037111700000000, -0.0014303200000000, 0.0006670800000000 ] - [ -0.0043979900000000, -0.0014319300000000, 0.0013541400000000 ] - [ -0.0042041500000000, 0.0013712700000000, 0.0017654900000000 ] - [ 0.0021030100000000, 0.0016142500000000, -0.0080214600000000 ] - [ -0.0015037300000000, 0.0012811700000000, -0.0014890600000000 ] - [ -0.0019468500000000, 0.0012854600000000, -0.0006237300000000 ] - [ -0.0055431300000000, 0.0016580800000000, 0.0058920500000000 ] - [ 0.0017214900000000, -0.0024990700000000, 0.0010607800000000 ] - [ 0.0024886100000000, 0.0009543700000000, 0.0005863800000000 ] - [ 0.0017255100000000, 0.0010630400000000, 0.0010565700000000 ] - [ 0.0009564200000000, 0.0009617200000000, 0.0015324900000000 ] - [ -0.0017279800000000, -0.0006673100000000, 0.0016292800000000 ] - [ -0.0019636100000000, 0.0006949700000000, 0.0011437700000000 ] - [ -0.0014898700000000, 0.0006953100000000, 0.0009657600000000 ] - [ -0.0017259000000000, -0.0006676800000000, 0.0004795800000000 ] - [ 0.0017238100000000, -0.0020416800000000, -0.0010554600000000 ] - [ 0.0005385300000000, 0.0010130400000000, 0.0001010100000000 ] - [ 0.0017244600000000, 0.0010802200000000, -0.0010545200000000 ] - [ 0.0029105000000000, 0.0010126300000000, -0.0022126000000000 ] - [ -0.0011810200000000, -0.0006328000000000, 0.0023013900000000 ] - [ -0.0002293000000000, 0.0006798400000000, 0.0013904900000000 ] - [ 0.0004144800000000, 0.0006803100000000, 0.0009939800000000 ] - [ 0.0013681500000000, -0.0006370600000000, 0.0000832300000000 ] - [ -0.0000928600000000, -0.0004023100000000, -0.0011920200000000 ] - [ -0.0000870400000000, -0.0001128100000000, -0.0011267700000000 ] - [ -0.0000935400000000, 0.0005602000000000, -0.0011924600000000 ] - [ -0.0000990200000000, -0.0001122800000000, -0.0012579900000000 ] - [ 0.0059864800000000, 0.0020312100000000, -0.0011165400000000 ] - [ 0.0004820200000000, 0.0013980500000000, -0.0011152400000000 ] - [ -0.0002930800000000, 0.0014028200000000, -0.0012696100000000 ] - [ -0.0057829900000000, 0.0020824400000000, -0.0012734500000000 ] - [ -0.0000925800000000, -0.0014651500000000, 0.0011958300000000 ] - [ 0.0003913600000000, 0.0004683900000000, 0.0009738500000000 ] - [ -0.0000926000000000, 0.0007964500000000, 0.0011933400000000 ] - [ -0.0005769200000000, 0.0004716100000000, 0.0014180900000000 ] - [ -0.0054164700000000, -0.0503920600000000, 0.0016224400000000 ] - [ -0.0064791700000000, 0.0062468900000000, 0.0019683500000000 ] - [ -0.0057975200000000, 0.0037105300000000, 0.0017724800000000 ] - [ -0.0051216200000000, 0.0061515900000000, 0.0015814600000000 ] - [ 0.0059718400000000, -0.0008829900000000, -0.0018774600000000 ] - [ 0.0057819300000000, 0.0009223000000000, -0.0020233000000000 ] - [ 0.0058147100000000, 0.0009224100000000, -0.0015260900000000 ] - [ 0.0056241700000000, -0.0008831400000000, -0.0016699400000000 ] - [ -0.0058005400000000, -0.0020213500000000, -0.0017754600000000 ] - [ -0.0058806100000000, 0.0005326200000000, -0.0016433100000000 ] - [ -0.0058003800000000, 0.0009354200000000, -0.0017747300000000 ] - [ -0.0057216700000000, 0.0005341900000000, -0.0019064500000000 ] - [ 0.0059875600000000, -0.0010855500000000, 0.0019434000000000 ] - [ 0.0056598600000000, 0.0013515600000000, 0.0016181300000000 ] - [ 0.0059377700000000, 0.0013523600000000, 0.0019319200000000 ] - [ 0.0056110600000000, -0.0010855900000000, 0.0016092100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0023979100000000, -0.0042065000000000, 0.0143505000000000 ] - [ 0.0017249600000000, 0.0003857900000000, 0.0092947400000000 ] - [ 0.0017249600000000, -0.0003857900000000, 0.0092947400000000 ] - [ 0.0023979100000000, 0.0042065000000000, 0.0143505000000000 ] - [ -0.0007080400000000, 0.0000000000000000, -0.0089991800000000 ] - [ -0.0008112400000000, 0.0001460400000000, -0.0087844300000000 ] - [ -0.0007612600000000, 0.0000000000000000, -0.0083180000000000 ] - [ -0.0008112400000000, -0.0001460400000000, -0.0087844300000000 ] - [ 0.0000274900000000, -0.0002067400000000, -0.0068593000000000 ] - [ 0.0005029700000000, -0.0001227800000000, -0.0077655700000000 ] - [ 0.0005029700000000, 0.0001227800000000, -0.0077655700000000 ] - [ 0.0000274900000000, 0.0002067400000000, -0.0068593000000000 ] - [ -0.0006369200000000, 0.0000000000000000, 0.0057403000000000 ] - [ -0.0003257700000000, -0.0002344400000000, 0.0059993000000000 ] - [ -0.0003514100000000, 0.0000000000000000, 0.0073106400000000 ] - [ -0.0003257700000000, 0.0002344400000000, 0.0059993000000000 ] - [ 0.0012494700000000, 0.0067168100000000, 0.0011322000000000 ] - [ -0.0008891700000000, -0.0007074100000000, -0.0056141800000000 ] - [ -0.0008891700000000, 0.0007074100000000, -0.0056141800000000 ] - [ 0.0012494700000000, -0.0067168100000000, 0.0011322000000000 ] - [ 0.0014097200000000, 0.0000000000000000, 0.0069821400000000 ] - [ 0.0013688300000000, -0.0000175400000000, 0.0070896700000000 ] - [ 0.0013412800000000, 0.0000000000000000, 0.0072644000000000 ] - [ 0.0013688300000000, 0.0000175400000000, 0.0070896700000000 ] - [ -0.0010368300000000, 0.0001872900000000, 0.0091945200000000 ] - [ -0.0012306800000000, 0.0001720400000000, 0.0083396300000000 ] - [ -0.0012306800000000, -0.0001720400000000, 0.0083396300000000 ] - [ -0.0010368300000000, -0.0001872900000000, 0.0091945200000000 ] - [ 0.0008029300000000, 0.0000000000000000, -0.0099916700000000 ] - [ 0.0010983900000000, 0.0002881300000000, -0.0093160400000000 ] - [ 0.0012876800000000, 0.0000000000000000, -0.0086513200000000 ] - [ 0.0010983900000000, -0.0002881300000000, -0.0093160400000000 ] - [ -0.0327528300000000, 0.0000000000000000, 0.0341505700000000 ] - [ 0.0045114200000000, 0.0039133000000000, 0.0044643200000000 ] - [ 0.0036433600000000, 0.0000000000000000, 0.0018189500000000 ] - [ 0.0045114200000000, -0.0039133000000000, 0.0044643200000000 ] - [ -0.0006927100000000, 0.0002868800000000, -0.0053103900000000 ] - [ -0.0041439900000000, 0.0009274000000000, -0.0016986800000000 ] - [ -0.0041439900000000, -0.0009274000000000, -0.0016986800000000 ] - [ -0.0006927100000000, -0.0002868800000000, -0.0053103900000000 ] - [ 0.0055857300000000, 0.0000000000000000, -0.0012785800000000 ] - [ 0.0055208300000000, -0.0008485900000000, -0.0004188000000000 ] - [ 0.0045398300000000, 0.0000000000000000, -0.0006492000000000 ] - [ 0.0055208300000000, 0.0008485900000000, -0.0004188000000000 ] - [ -0.0033802600000000, 0.0003217000000000, -0.0006115800000000 ] - [ -0.0034935300000000, -0.0007053900000000, -0.0000228100000000 ] - [ -0.0034935300000000, 0.0007053900000000, -0.0000228100000000 ] - [ -0.0033802600000000, -0.0003217000000000, -0.0006115800000000 ] - [ -0.0074125300000000, -0.0085431300000000, 0.0070933100000000 ] - [ -0.0016002600000000, -0.0007674400000000, -0.0014374300000000 ] - [ -0.0016002600000000, 0.0007674400000000, -0.0014374300000000 ] - [ -0.0074125300000000, 0.0085431300000000, 0.0070933100000000 ] - [ 0.0003965600000000, 0.0000000000000000, 0.0019998100000000 ] - [ 0.0003940100000000, -0.0016212700000000, 0.0013778400000000 ] - [ 0.0016238400000000, 0.0000000000000000, 0.0011541300000000 ] - [ 0.0003940100000000, 0.0016212700000000, 0.0013778400000000 ] - [ -0.0020290500000000, -0.0001015400000000, 0.0012582300000000 ] - [ -0.0022306700000000, 0.0002886800000000, 0.0008590500000000 ] - [ -0.0022306700000000, -0.0002886800000000, 0.0008590500000000 ] - [ -0.0020290500000000, 0.0001015400000000, 0.0012582300000000 ] - [ 0.0009759300000000, 0.0000000000000000, -0.0005503000000000 ] - [ -0.0000003600000000, 0.0013896100000000, 0.0006887400000000 ] - [ 0.0014543100000000, 0.0000000000000000, -0.0006282700000000 ] - [ -0.0000003600000000, -0.0013896100000000, 0.0006887400000000 ] - [ -0.0018184600000000, 0.0012930400000000, 0.0003481100000000 ] - [ -0.0002764100000000, 0.0001228400000000, 0.0005390300000000 ] - [ -0.0002764100000000, -0.0001228400000000, 0.0005390300000000 ] - [ -0.0018184600000000, -0.0012930400000000, 0.0003481100000000 ] - [ -0.0001389600000000, 0.0000000000000000, -0.0002863600000000 ] - [ -0.0003402500000000, -0.0000345500000000, -0.0001211200000000 ] - [ -0.0003746100000000, 0.0000000000000000, -0.0007068400000000 ] - [ -0.0003402500000000, 0.0000345500000000, -0.0001211200000000 ] - [ 0.0001121300000000, -0.0008721200000000, -0.0047567200000000 ] - [ 0.0001710200000000, -0.0003586600000000, -0.0017250800000000 ] - [ 0.0001710200000000, 0.0003586600000000, -0.0017250800000000 ] - [ 0.0001121300000000, 0.0008721200000000, -0.0047567200000000 ] - [ 0.0001006800000000, 0.0000000000000000, 0.0034234000000000 ] - [ 0.0000442800000000, -0.0011602200000000, 0.0035238200000000 ] - [ 0.0000283800000000, 0.0000000000000000, 0.0017815500000000 ] - [ 0.0000442800000000, 0.0011602200000000, 0.0035238200000000 ] - [ 0.0365682900000000, 0.0000000000000000, -0.0668523400000000 ] - [ -0.0058787900000000, -0.0002153000000000, -0.0018372000000000 ] - [ -0.0069560300000000, 0.0000000000000000, -0.0018489400000000 ] - [ -0.0058787900000000, 0.0002153000000000, -0.0018372000000000 ] - [ 0.0056530800000000, -0.0001051700000000, -0.0006101400000000 ] - [ 0.0058820300000000, -0.0002495700000000, -0.0009852700000000 ] - [ 0.0058820300000000, 0.0002495700000000, -0.0009852700000000 ] - [ 0.0056530800000000, 0.0001051700000000, -0.0006101400000000 ] - [ -0.0057467500000000, 0.0000000000000000, -0.0038286900000000 ] - [ -0.0060863600000000, 0.0001308100000000, -0.0029445000000000 ] - [ -0.0058106200000000, 0.0000000000000000, -0.0025149700000000 ] - [ -0.0060863600000000, -0.0001308100000000, -0.0029445000000000 ] - [ 0.0053382000000000, -0.0001682700000000, 0.0033442500000000 ] - [ 0.0049197700000000, 0.0001572000000000, 0.0036613600000000 ] - [ 0.0049197700000000, -0.0001572000000000, 0.0036613600000000 ] - [ 0.0053382000000000, 0.0001682700000000, 0.0033442500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011079300000000, 0.0043287600000000, 0.0017468800000000 ] - [ -0.0003237600000000, -0.0003842800000000, 0.0068508200000000 ] - [ -0.0003237600000000, 0.0003842800000000, 0.0068508200000000 ] - [ -0.0011079300000000, -0.0043287600000000, 0.0017468800000000 ] - [ -0.0006946600000000, 0.0000000000000000, -0.0071472600000000 ] - [ -0.0005905500000000, -0.0001446000000000, -0.0073605100000000 ] - [ -0.0006393300000000, 0.0000000000000000, -0.0078249000000000 ] - [ -0.0005905500000000, 0.0001446000000000, -0.0073605100000000 ] - [ 0.0013716300000000, 0.0002081700000000, -0.0092632800000000 ] - [ 0.0008942000000000, 0.0001232200000000, -0.0083721400000000 ] - [ 0.0008942000000000, -0.0001232200000000, -0.0083721400000000 ] - [ 0.0013716300000000, -0.0002081700000000, -0.0092632800000000 ] - [ -0.0007689400000000, 0.0000000000000000, 0.0103875500000000 ] - [ -0.0010707800000000, 0.0002337300000000, 0.0101197500000000 ] - [ -0.0010444300000000, 0.0000000000000000, 0.0088239900000000 ] - [ -0.0010707800000000, -0.0002337300000000, 0.0101197500000000 ] - [ -0.0037188100000000, -0.0063356000000000, -0.0162737000000000 ] - [ -0.0015947700000000, 0.0006960000000000, -0.0098575900000000 ] - [ -0.0015947700000000, -0.0006960000000000, -0.0098575900000000 ] - [ -0.0037188100000000, 0.0063356000000000, -0.0162737000000000 ] - [ 0.0010802700000000, 0.0000000000000000, 0.0085186600000000 ] - [ 0.0011204000000000, 0.0000182500000000, 0.0084104000000000 ] - [ 0.0011483000000000, 0.0000000000000000, 0.0082363300000000 ] - [ 0.0011204000000000, -0.0000182500000000, 0.0084104000000000 ] - [ -0.0014361700000000, -0.0001863900000000, 0.0063122600000000 ] - [ -0.0012573300000000, -0.0001700500000000, 0.0071661000000000 ] - [ -0.0012573300000000, 0.0001700500000000, 0.0071661000000000 ] - [ -0.0014361700000000, 0.0001863900000000, 0.0063122600000000 ] - [ 0.0016873200000000, 0.0000000000000000, -0.0055154700000000 ] - [ 0.0013939100000000, -0.0002882500000000, -0.0061939300000000 ] - [ 0.0012024800000000, 0.0000000000000000, -0.0068571200000000 ] - [ 0.0013939100000000, 0.0002882500000000, -0.0061939300000000 ] - [ 0.0422838100000000, 0.0000000000000000, -0.0324683000000000 ] - [ 0.0035915400000000, -0.0038736600000000, -0.0024756000000000 ] - [ 0.0044609000000000, 0.0000000000000000, 0.0002008000000000 ] - [ 0.0035915400000000, 0.0038736600000000, -0.0024756000000000 ] - [ -0.0074170400000000, -0.0002798500000000, 0.0032809500000000 ] - [ -0.0039702800000000, -0.0009248500000000, -0.0003269700000000 ] - [ -0.0039702800000000, 0.0009248500000000, -0.0003269700000000 ] - [ -0.0074170400000000, 0.0002798500000000, 0.0032809500000000 ] - [ 0.0025306900000000, 0.0000000000000000, -0.0007448700000000 ] - [ 0.0026023300000000, 0.0008490100000000, -0.0015983100000000 ] - [ 0.0035775900000000, 0.0000000000000000, -0.0013690700000000 ] - [ 0.0026023300000000, -0.0008490100000000, -0.0015983100000000 ] - [ -0.0047252600000000, -0.0003133600000000, 0.0026274600000000 ] - [ -0.0046114700000000, 0.0007025200000000, 0.0020389300000000 ] - [ -0.0046114700000000, -0.0007025200000000, 0.0020389300000000 ] - [ -0.0047252600000000, 0.0003133600000000, 0.0026274600000000 ] - [ 0.0040143000000000, 0.0086397800000000, -0.0092604300000000 ] - [ -0.0018515300000000, 0.0007674100000000, -0.0006716600000000 ] - [ -0.0018515300000000, -0.0007674100000000, -0.0006716600000000 ] - [ 0.0040143000000000, -0.0086397800000000, -0.0092604300000000 ] - [ 0.0030477900000000, 0.0000000000000000, 0.0001313600000000 ] - [ 0.0030661100000000, 0.0016221500000000, 0.0007423900000000 ] - [ 0.0018295400000000, 0.0000000000000000, 0.0009585700000000 ] - [ 0.0030661100000000, -0.0016221500000000, 0.0007423900000000 ] - [ -0.0014247700000000, 0.0000982300000000, 0.0008539400000000 ] - [ -0.0012250700000000, -0.0002875200000000, 0.0012495100000000 ] - [ -0.0012250700000000, 0.0002875200000000, 0.0012495100000000 ] - [ -0.0014247700000000, -0.0000982300000000, 0.0008539400000000 ] - [ 0.0024841300000000, 0.0000000000000000, -0.0015652100000000 ] - [ 0.0034360600000000, -0.0013831000000000, -0.0027850400000000 ] - [ 0.0019932300000000, 0.0000000000000000, -0.0014776500000000 ] - [ 0.0034360600000000, 0.0013831000000000, -0.0027850400000000 ] - [ 0.0019912400000000, -0.0012859900000000, 0.0020425900000000 ] - [ 0.0004581200000000, -0.0001221100000000, 0.0018418200000000 ] - [ 0.0004581200000000, 0.0001221100000000, 0.0018418200000000 ] - [ 0.0019912400000000, 0.0012859900000000, 0.0020425900000000 ] - [ -0.0000496800000000, 0.0000000000000000, -0.0020953000000000 ] - [ 0.0001521900000000, 0.0000329000000000, -0.0022559900000000 ] - [ 0.0001857200000000, 0.0000000000000000, -0.0016744300000000 ] - [ 0.0001521900000000, -0.0000329000000000, -0.0022559900000000 ] - [ 0.0000144900000000, 0.0008180700000000, 0.0023740600000000 ] - [ 0.0000158000000000, 0.0003502600000000, -0.0006616500000000 ] - [ 0.0000158000000000, -0.0003502600000000, -0.0006616500000000 ] - [ 0.0000144900000000, -0.0008180700000000, 0.0023740600000000 ] - [ -0.0002884500000000, 0.0000000000000000, -0.0010414200000000 ] - [ -0.0002297400000000, 0.0011598200000000, -0.0011302100000000 ] - [ -0.0002122100000000, 0.0000000000000000, 0.0006087700000000 ] - [ -0.0002297400000000, -0.0011598200000000, -0.0011302100000000 ] - [ -0.0493824200000000, 0.0000000000000000, 0.0702305500000000 ] - [ -0.0057147000000000, 0.0001716900000000, 0.0053660100000000 ] - [ -0.0046537300000000, 0.0000000000000000, 0.0053680000000000 ] - [ -0.0057147000000000, -0.0001716900000000, 0.0053660100000000 ] - [ 0.0059487500000000, 0.0001024800000000, -0.0029338600000000 ] - [ 0.0057203200000000, 0.0002477800000000, -0.0025595200000000 ] - [ 0.0057203200000000, -0.0002477800000000, -0.0025595200000000 ] - [ 0.0059487500000000, -0.0001024800000000, -0.0029338600000000 ] - [ -0.0058558000000000, 0.0000000000000000, 0.0002654300000000 ] - [ -0.0055190600000000, -0.0001323300000000, -0.0006123700000000 ] - [ -0.0057904300000000, 0.0000000000000000, -0.0010383500000000 ] - [ -0.0055190600000000, 0.0001323300000000, -0.0006123700000000 ] - [ 0.0062606700000000, 0.0001660400000000, 0.0002119200000000 ] - [ 0.0066711400000000, -0.0001566500000000, -0.0000983800000000 ] - [ 0.0066711400000000, 0.0001566500000000, -0.0000983800000000 ] - [ 0.0062606700000000, -0.0001660400000000, 0.0002119200000000 ]