# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e78fe696-2cba-46da-a9c7-f0c6c54d2895/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 ErCo(CN)6 / P6_3/mmc (194) / materials id 6185](https://mdr.nims.go.jp/datasets/1bca0331-2287-4990-84a0-623bc9971f95) ## 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: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.326586780000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.663293380000000, 6.345010260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.867905710000000 ] # c points: - symbol: C # 1 coordinates: [ 0.118094870000000, 0.881905130000000, 0.416653870000000 ] mass: 12.010700 - symbol: C # 2 coordinates: [ 0.763810280000000, 0.881905130000000, 0.416653870000000 ] mass: 12.010700 - symbol: C # 3 coordinates: [ 0.118094870000000, 0.236189720000000, 0.416653870000000 ] mass: 12.010700 - symbol: C # 4 coordinates: [ 0.881905130000000, 0.763810280000000, 0.916653870000000 ] mass: 12.010700 - symbol: C # 5 coordinates: [ 0.763810280000000, 0.881905130000000, 0.083346130000000 ] mass: 12.010700 - symbol: C # 6 coordinates: [ 0.881905130000000, 0.763810280000000, 0.583346130000000 ] mass: 12.010700 - symbol: C # 7 coordinates: [ 0.881905130000000, 0.118094870000000, 0.583346130000000 ] mass: 12.010700 - symbol: C # 8 coordinates: [ 0.118094870000000, 0.881905130000000, 0.083346130000000 ] mass: 12.010700 - symbol: C # 9 coordinates: [ 0.118094870000000, 0.236189720000000, 0.083346130000000 ] mass: 12.010700 - symbol: C # 10 coordinates: [ 0.881905130000000, 0.118094870000000, 0.916653870000000 ] mass: 12.010700 - symbol: C # 11 coordinates: [ 0.236189720000000, 0.118094870000000, 0.916653870000000 ] mass: 12.010700 - symbol: C # 12 coordinates: [ 0.236189720000000, 0.118094870000000, 0.583346130000000 ] mass: 12.010700 - symbol: N # 13 coordinates: [ 0.807834580000000, 0.615669160000000, 0.862581890000000 ] mass: 14.006700 - symbol: N # 14 coordinates: [ 0.192165420000000, 0.384330840000000, 0.362581890000000 ] mass: 14.006700 - symbol: N # 15 coordinates: [ 0.615669160000000, 0.807834580000000, 0.362581890000000 ] mass: 14.006700 - symbol: N # 16 coordinates: [ 0.192165420000000, 0.807834580000000, 0.362581890000000 ] mass: 14.006700 - symbol: N # 17 coordinates: [ 0.615669160000000, 0.807834580000000, 0.137418110000000 ] mass: 14.006700 - symbol: N # 18 coordinates: [ 0.807834580000000, 0.615669160000000, 0.637418110000000 ] mass: 14.006700 - symbol: N # 19 coordinates: [ 0.807834580000000, 0.192165420000000, 0.637418110000000 ] mass: 14.006700 - symbol: N # 20 coordinates: [ 0.192165420000000, 0.807834580000000, 0.137418110000000 ] mass: 14.006700 - symbol: N # 21 coordinates: [ 0.192165420000000, 0.384330840000000, 0.137418110000000 ] mass: 14.006700 - symbol: N # 22 coordinates: [ 0.807834580000000, 0.192165420000000, 0.862581890000000 ] mass: 14.006700 - symbol: N # 23 coordinates: [ 0.384330840000000, 0.192165420000000, 0.862581890000000 ] mass: 14.006700 - symbol: N # 24 coordinates: [ 0.384330840000000, 0.192165420000000, 0.637418110000000 ] mass: 14.006700 - symbol: Co # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 58.933195 - symbol: Co # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 58.933195 - symbol: Er # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 167.259000 - symbol: Er # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 167.259000 reciprocal_lattice: # without 2pi - [ 0.136489204322234, 0.078802078822030, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.157604158074285, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.077712723619266 ] # c*unit_cell: lattice: - [ 7.326586780000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.663293380000000, 6.345010260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.867905710000000 ] # c points: - symbol: C # 1 coordinates: [ 0.118094870000000, 0.881905130000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 1 - symbol: C # 2 coordinates: [ 0.763810280000000, 0.881905130000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 2 - symbol: C # 3 coordinates: [ 0.118094870000000, 0.236189720000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 3 - symbol: C # 4 coordinates: [ 0.881905130000000, 0.763810280000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 4 - symbol: C # 5 coordinates: [ 0.763810280000000, 0.881905130000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 5 - symbol: C # 6 coordinates: [ 0.881905130000000, 0.763810280000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 6 - symbol: C # 7 coordinates: [ 0.881905130000000, 0.118094870000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 7 - symbol: C # 8 coordinates: [ 0.118094870000000, 0.881905130000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 8 - symbol: C # 9 coordinates: [ 0.118094870000000, 0.236189720000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 10 coordinates: [ 0.881905130000000, 0.118094870000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 10 - symbol: C # 11 coordinates: [ 0.236189720000000, 0.118094870000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 11 - symbol: C # 12 coordinates: [ 0.236189720000000, 0.118094870000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 12 - symbol: N # 13 coordinates: [ 0.807834580000000, 0.615669160000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 14 coordinates: [ 0.192165420000000, 0.384330840000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 14 - symbol: N # 15 coordinates: [ 0.615669160000000, 0.807834580000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 15 - symbol: N # 16 coordinates: [ 0.192165420000000, 0.807834580000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 16 - symbol: N # 17 coordinates: [ 0.615669160000000, 0.807834580000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 17 - symbol: N # 18 coordinates: [ 0.807834580000000, 0.615669160000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 18 - symbol: N # 19 coordinates: [ 0.807834580000000, 0.192165420000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 19 - symbol: N # 20 coordinates: [ 0.192165420000000, 0.807834580000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 20 - symbol: N # 21 coordinates: [ 0.192165420000000, 0.384330840000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 21 - symbol: N # 22 coordinates: [ 0.807834580000000, 0.192165420000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 22 - symbol: N # 23 coordinates: [ 0.384330840000000, 0.192165420000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 23 - symbol: N # 24 coordinates: [ 0.384330840000000, 0.192165420000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 24 - symbol: Co # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 58.933195 reduced_to: 25 - symbol: Co # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 58.933195 reduced_to: 26 - symbol: Er # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 27 - symbol: Er # 28 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 28supercell: lattice: - [ 14.653173560000001, 0.000000000000000, 0.000000000000000 ] # a - [ -7.326586760000000, 12.690020519999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.867905710000000 ] # c points: - symbol: C # 1 coordinates: [ 0.059047435000000, 0.440952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 1 - symbol: C # 2 coordinates: [ 0.559047435000000, 0.440952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 1 - symbol: C # 3 coordinates: [ 0.059047435000000, 0.940952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 1 - symbol: C # 4 coordinates: [ 0.559047435000000, 0.940952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 1 - symbol: C # 5 coordinates: [ 0.381905140000000, 0.440952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 5 - symbol: C # 6 coordinates: [ 0.881905140000000, 0.440952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 5 - symbol: C # 7 coordinates: [ 0.381905140000000, 0.940952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 5 - symbol: C # 8 coordinates: [ 0.881905140000000, 0.940952565000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 5 - symbol: C # 9 coordinates: [ 0.059047435000000, 0.118094860000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 10 coordinates: [ 0.559047435000000, 0.118094860000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 11 coordinates: [ 0.059047435000000, 0.618094860000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 12 coordinates: [ 0.559047435000000, 0.618094860000000, 0.416653870000000 ] mass: 12.010700 reduced_to: 9 - symbol: C # 13 coordinates: [ 0.440952565000000, 0.381905140000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 13 - symbol: C # 14 coordinates: [ 0.940952565000000, 0.381905140000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 13 - symbol: C # 15 coordinates: [ 0.440952565000000, 0.881905140000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 13 - symbol: C # 16 coordinates: [ 0.940952565000000, 0.881905140000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 13 - symbol: C # 17 coordinates: [ 0.381905140000000, 0.440952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 17 - symbol: C # 18 coordinates: [ 0.881905140000000, 0.440952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 17 - symbol: C # 19 coordinates: [ 0.381905140000000, 0.940952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 17 - symbol: C # 20 coordinates: [ 0.881905140000000, 0.940952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 17 - symbol: C # 21 coordinates: [ 0.440952565000000, 0.381905140000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 22 coordinates: [ 0.940952565000000, 0.381905140000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 23 coordinates: [ 0.440952565000000, 0.881905140000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 24 coordinates: [ 0.940952565000000, 0.881905140000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 21 - symbol: C # 25 coordinates: [ 0.440952565000000, 0.059047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.940952565000000, 0.059047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 27 coordinates: [ 0.440952565000000, 0.559047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 28 coordinates: [ 0.940952565000000, 0.559047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 29 coordinates: [ 0.059047435000000, 0.440952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.559047435000000, 0.440952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 31 coordinates: [ 0.059047435000000, 0.940952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 32 coordinates: [ 0.559047435000000, 0.940952565000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 33 coordinates: [ 0.059047435000000, 0.118094860000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 34 coordinates: [ 0.559047435000000, 0.118094860000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 35 coordinates: [ 0.059047435000000, 0.618094860000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 36 coordinates: [ 0.559047435000000, 0.618094860000000, 0.083346130000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 37 coordinates: [ 0.440952565000000, 0.059047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 38 coordinates: [ 0.940952565000000, 0.059047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 39 coordinates: [ 0.440952565000000, 0.559047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 40 coordinates: [ 0.940952565000000, 0.559047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 41 coordinates: [ 0.118094860000000, 0.059047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 42 coordinates: [ 0.618094860000000, 0.059047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 43 coordinates: [ 0.118094860000000, 0.559047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 44 coordinates: [ 0.618094860000000, 0.559047435000000, 0.916653870000000 ] mass: 12.010700 reduced_to: 41 - symbol: C # 45 coordinates: [ 0.118094860000000, 0.059047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 46 coordinates: [ 0.618094860000000, 0.059047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 47 coordinates: [ 0.118094860000000, 0.559047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 45 - symbol: C # 48 coordinates: [ 0.618094860000000, 0.559047435000000, 0.583346130000000 ] mass: 12.010700 reduced_to: 45 - symbol: N # 49 coordinates: [ 0.403917290000000, 0.307834580000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.903917290000000, 0.307834580000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 51 coordinates: [ 0.403917290000000, 0.807834580000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 52 coordinates: [ 0.903917290000000, 0.807834580000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 53 coordinates: [ 0.096082710000000, 0.192165420000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.596082710000000, 0.192165420000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 55 coordinates: [ 0.096082710000000, 0.692165420000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 56 coordinates: [ 0.596082710000000, 0.692165420000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 57 coordinates: [ 0.307834580000000, 0.403917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.807834580000000, 0.403917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 59 coordinates: [ 0.307834580000000, 0.903917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 60 coordinates: [ 0.807834580000000, 0.903917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 61 coordinates: [ 0.096082710000000, 0.403917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.596082710000000, 0.403917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 63 coordinates: [ 0.096082710000000, 0.903917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 64 coordinates: [ 0.596082710000000, 0.903917290000000, 0.362581890000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 65 coordinates: [ 0.307834580000000, 0.403917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 66 coordinates: [ 0.807834580000000, 0.403917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 67 coordinates: [ 0.307834580000000, 0.903917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 68 coordinates: [ 0.807834580000000, 0.903917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 65 - symbol: N # 69 coordinates: [ 0.403917290000000, 0.307834580000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 70 coordinates: [ 0.903917290000000, 0.307834580000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 71 coordinates: [ 0.403917290000000, 0.807834580000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 72 coordinates: [ 0.903917290000000, 0.807834580000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 69 - symbol: N # 73 coordinates: [ 0.403917290000000, 0.096082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 74 coordinates: [ 0.903917290000000, 0.096082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 75 coordinates: [ 0.403917290000000, 0.596082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 76 coordinates: [ 0.903917290000000, 0.596082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 73 - symbol: N # 77 coordinates: [ 0.096082710000000, 0.403917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 78 coordinates: [ 0.596082710000000, 0.403917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 79 coordinates: [ 0.096082710000000, 0.903917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 80 coordinates: [ 0.596082710000000, 0.903917290000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 77 - symbol: N # 81 coordinates: [ 0.096082710000000, 0.192165420000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 82 coordinates: [ 0.596082710000000, 0.192165420000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 83 coordinates: [ 0.096082710000000, 0.692165420000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 84 coordinates: [ 0.596082710000000, 0.692165420000000, 0.137418110000000 ] mass: 14.006700 reduced_to: 81 - symbol: N # 85 coordinates: [ 0.403917290000000, 0.096082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 86 coordinates: [ 0.903917290000000, 0.096082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 87 coordinates: [ 0.403917290000000, 0.596082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 88 coordinates: [ 0.903917290000000, 0.596082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 85 - symbol: N # 89 coordinates: [ 0.192165420000000, 0.096082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 90 coordinates: [ 0.692165420000000, 0.096082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 91 coordinates: [ 0.192165420000000, 0.596082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 92 coordinates: [ 0.692165420000000, 0.596082710000000, 0.862581890000000 ] mass: 14.006700 reduced_to: 89 - symbol: N # 93 coordinates: [ 0.192165420000000, 0.096082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 94 coordinates: [ 0.692165420000000, 0.096082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 95 coordinates: [ 0.192165420000000, 0.596082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 93 - symbol: N # 96 coordinates: [ 0.692165420000000, 0.596082710000000, 0.637418110000000 ] mass: 14.006700 reduced_to: 93 - symbol: Co # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 58.933195 reduced_to: 97 - symbol: Co # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 58.933195 reduced_to: 97 - symbol: Co # 99 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 58.933195 reduced_to: 97 - symbol: Co # 100 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 58.933195 reduced_to: 97 - symbol: Co # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 58.933195 reduced_to: 101 - symbol: Co # 102 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 58.933195 reduced_to: 101 - symbol: Co # 103 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 58.933195 reduced_to: 101 - symbol: Co # 104 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 58.933195 reduced_to: 101 - symbol: Er # 105 coordinates: [ 0.333333335000000, 0.166666665000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 105 - symbol: Er # 106 coordinates: [ 0.833333335000000, 0.166666665000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 105 - symbol: Er # 107 coordinates: [ 0.333333335000000, 0.666666665000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 105 - symbol: Er # 108 coordinates: [ 0.833333335000000, 0.666666665000000, 0.750000000000000 ] mass: 167.259000 reduced_to: 105 - symbol: Er # 109 coordinates: [ 0.166666665000000, 0.333333335000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 110 coordinates: [ 0.666666665000000, 0.333333335000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 111 coordinates: [ 0.166666665000000, 0.833333335000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 109 - symbol: Er # 112 coordinates: [ 0.666666665000000, 0.833333335000000, 0.250000000000000 ] mass: 167.259000 reduced_to: 109born_effective_charge:- # 1 (C) - [ 0.973242410000000, -0.342909670000000, -0.498260200000000 ] - [ -0.342909670000000, 0.577284430000000, 0.287670660000000 ] - [ -0.516064820000000, 0.297950160000000, 0.815397990000000 ]- # 2 (C) - [ 0.973242410423339, 0.342909668187096, 0.498260198233596 ] - [ 0.342909671324075, 0.577284429576662, 0.287670661488943 ] - [ 0.516064818916139, 0.297950163503982, 0.815397990000000 ]- # 3 (C) - [ 0.379305439576661, -0.000000001475900, 0.000000001766403 ] - [ 0.000000001964729, 1.171221400423339, -0.575341321488943 ] - [ 0.000000001083861, -0.595900323503982, 0.815397990000000 ]- # 4 (C) - [ 0.379305439576661, -0.000000001475900, -0.000000001766403 ] - [ 0.000000001964729, 1.171221400423339, 0.575341321488943 ] - [ -0.000000001083861, 0.595900323503982, 0.815397990000000 ]- # 5 (C) - [ 0.973242410423339, 0.342909668187096, -0.498260198233596 ] - [ 0.342909671324075, 0.577284429576662, -0.287670661488943 ] - [ -0.516064818916139, -0.297950163503982, 0.815397990000000 ]- # 6 (C) - [ 0.379305439576661, -0.000000001475900, 0.000000001766403 ] - [ 0.000000001964729, 1.171221400423339, -0.575341321488943 ] - [ 0.000000001083861, -0.595900323503982, 0.815397990000000 ]- # 7 (C) - [ 0.973242410000000, -0.342909670000000, -0.498260200000000 ] - [ -0.342909670000000, 0.577284430000000, 0.287670660000000 ] - [ -0.516064820000000, 0.297950160000000, 0.815397990000000 ]- # 8 (C) - [ 0.973242410000000, -0.342909670000000, 0.498260200000000 ] - [ -0.342909670000000, 0.577284430000000, -0.287670660000000 ] - [ 0.516064820000000, -0.297950160000000, 0.815397990000000 ]- # 9 (C) - [ 0.379305439576661, -0.000000001475900, -0.000000001766403 ] - [ 0.000000001964729, 1.171221400423339, 0.575341321488943 ] - [ -0.000000001083861, 0.595900323503982, 0.815397990000000 ]- # 10 (C) - [ 0.973242410000000, -0.342909670000000, 0.498260200000000 ] - [ -0.342909670000000, 0.577284430000000, -0.287670660000000 ] - [ 0.516064820000000, -0.297950160000000, 0.815397990000000 ]- # 11 (C) - [ 0.973242410423339, 0.342909668187096, -0.498260198233596 ] - [ 0.342909671324075, 0.577284429576662, -0.287670661488943 ] - [ -0.516064818916139, -0.297950163503982, 0.815397990000000 ]- # 12 (C) - [ 0.973242410423339, 0.342909668187096, 0.498260198233596 ] - [ 0.342909671324075, 0.577284429576662, 0.287670661488943 ] - [ 0.516064818916139, 0.297950163503982, 0.815397990000000 ]- # 13 (N) - [ -0.387669310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.959571890000000, -1.048875640000000 ] - [ 0.000000000000000, -1.107834040000000, -1.388499090000000 ]- # 14 (N) - [ -0.387669310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.959571890000000, 1.048875640000000 ] - [ -0.000000000000000, 1.107834040000000, -1.388499090000000 ]- # 15 (N) - [ -1.566596245000000, -0.680653783578512, -0.908352947573231 ] - [ -0.680653782975788, -0.780644955000000, -0.524437818568398 ] - [ -0.959412424011351, -0.553917021512074, -1.388499090000000 ]- # 16 (N) - [ -1.566596245000000, 0.680653779862436, 0.908352947573231 ] - [ 0.680653786691864, -0.780644955000000, -0.524437821431602 ] - [ 0.959412424011351, -0.553917018487926, -1.388499090000000 ]- # 17 (N) - [ -1.566596245000000, -0.680653783578512, 0.908352947573231 ] - [ -0.680653782975788, -0.780644955000000, 0.524437818568398 ] - [ 0.959412424011351, 0.553917021512074, -1.388499090000000 ]- # 18 (N) - [ -0.387669310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.959571890000000, 1.048875640000000 ] - [ -0.000000000000000, 1.107834040000000, -1.388499090000000 ]- # 19 (N) - [ -1.566596245000000, 0.680653779862436, 0.908352947573231 ] - [ 0.680653786691864, -0.780644955000000, -0.524437821431602 ] - [ 0.959412424011351, -0.553917018487926, -1.388499090000000 ]- # 20 (N) - [ -1.566596245000000, 0.680653779862436, -0.908352947573231 ] - [ 0.680653786691864, -0.780644955000000, 0.524437821431602 ] - [ -0.959412424011351, 0.553917018487926, -1.388499090000000 ]- # 21 (N) - [ -0.387669310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.959571890000000, -1.048875640000000 ] - [ 0.000000000000000, -1.107834040000000, -1.388499090000000 ]- # 22 (N) - [ -1.566596245000000, 0.680653779862436, -0.908352947573231 ] - [ 0.680653786691864, -0.780644955000000, 0.524437821431602 ] - [ -0.959412424011351, 0.553917018487926, -1.388499090000000 ]- # 23 (N) - [ -1.566596245000000, -0.680653783578512, 0.908352947573231 ] - [ -0.680653782975788, -0.780644955000000, 0.524437818568398 ] - [ 0.959412424011351, 0.553917021512074, -1.388499090000000 ]- # 24 (N) - [ -1.566596245000000, -0.680653783578512, -0.908352947573231 ] - [ -0.680653782975788, -0.780644955000000, -0.524437818568398 ] - [ -0.959412424011351, -0.553917021512074, -1.388499090000000 ]- # 25 (Co) - [ -1.704569520000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.704569520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.742698560000000 ]- # 26 (Co) - [ -1.704569520000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.704569520000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.742698560000000 ]- # 27 (Er) - [ 4.094712630000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.094712630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.181305180000000 ]- # 28 (Er) - [ 4.094712630000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.094712630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.181305180000000 ]dielectric_constant: - [ 2.464177310000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.464177320000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.644555510000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.6528599700000000, 0.3357704500000000, 0.4974653800000000 ] - [ 0.0004828500000000, -0.0001198900000000, 0.0000137600000000 ] - [ 0.0002112400000000, -0.0002816600000000, 0.0001099400000000 ] - [ -0.0005261200000000, 0.0003530700000000, 0.0006064300000000 ] - [ 0.0015134300000000, 0.0007511600000000, 0.0012787300000000 ] - [ 0.0159041400000000, -0.0011848800000000, -0.0013208900000000 ] - [ 0.0001746100000000, 0.0001442500000000, 0.0003269200000000 ] - [ 0.0001437000000000, -0.0001096100000000, 0.0003754400000000 ] - [ 0.0000060000000000, -0.0016083600000000, 0.0013115300000000 ] - [ 0.0000074800000000, -0.0000050600000000, 0.0002217100000000 ] - [ -0.0000961200000000, -0.0080838800000000, 0.0007467600000000 ] - [ 0.0002133600000000, -0.0000981400000000, 0.0003682000000000 ] - [ 0.0000813800000000, 0.0002716000000000, 0.0003216600000000 ] - [ -0.0001896900000000, -0.0000850400000000, -0.0000569300000000 ] - [ -0.0000049300000000, 0.0002928500000000, 0.0003665700000000 ] - [ 0.0000057100000000, 0.0002005900000000, 0.0003308800000000 ] - [ 0.0007507200000000, 0.0004184800000000, -0.0007852200000000 ] - [ -0.0004582200000000, -0.0000651300000000, -0.0001081700000000 ] - [ 0.0002190300000000, 0.0001491800000000, -0.0003645800000000 ] - [ 0.0002202700000000, 0.0000476300000000, -0.0004083800000000 ] - [ 0.0002148500000000, 0.0001813700000000, -0.0001984600000000 ] - [ -0.0000849700000000, 0.0030977100000000, -0.0076798300000000 ] - [ -0.0000151100000000, 0.0003371800000000, -0.0003920200000000 ] - [ 0.0000193600000000, 0.0000565400000000, -0.0002495500000000 ] - [ 0.0004587900000000, -0.0002195400000000, -0.0005560300000000 ] - [ -0.0000772400000000, -0.0001537700000000, 0.0000073700000000 ] - [ 0.0002913400000000, 0.0000472200000000, -0.0001139600000000 ] - [ 0.0113468000000000, -0.0115877200000000, -0.0165599800000000 ] - [ -0.0019541100000000, 0.0010548600000000, -0.0014040400000000 ] - [ 0.0000444900000000, 0.0000430400000000, -0.0002545800000000 ] - [ -0.0000470800000000, -0.0000397600000000, -0.0002770000000000 ] - [ -0.0003869600000000, 0.0002452100000000, -0.0004924700000000 ] - [ 0.0000085100000000, -0.0008183800000000, -0.0007728500000000 ] - [ -0.0000021000000000, -0.0001753300000000, -0.0003203000000000 ] - [ -0.0002155200000000, 0.0001991300000000, -0.0002370400000000 ] - [ 0.0000854000000000, -0.0002603000000000, -0.0004259100000000 ] - [ 0.0003320800000000, -0.0001733500000000, 0.0004434600000000 ] - [ 0.0000891500000000, -0.0001208000000000, 0.0002037700000000 ] - [ 0.0002347800000000, -0.0000664600000000, 0.0002661400000000 ] - [ 0.0001840800000000, -0.0001439100000000, 0.0003591300000000 ] - [ -0.0001880800000000, -0.0001835700000000, 0.0002983300000000 ] - [ -0.0001913900000000, -0.0000857600000000, 0.0003263700000000 ] - [ -0.0001728000000000, 0.0000806400000000, 0.0000276100000000 ] - [ -0.0001698900000000, -0.0001237000000000, 0.0003493400000000 ] - [ -0.0000976400000000, -0.0002560500000000, -0.0001924600000000 ] - [ -0.0001278200000000, -0.0000082800000000, -0.0002869900000000 ] - [ -0.0075570800000000, 0.0012122500000000, 0.0013890900000000 ] - [ 0.0000151500000000, -0.0000620500000000, -0.0002563200000000 ] - [ -0.0000549600000000, -0.0003688000000000, -0.0002840500000000 ] - [ 0.0000670900000000, -0.0001452500000000, 0.0003707700000000 ] - [ -0.0000015300000000, -0.0004588500000000, -0.0002486500000000 ] - [ -0.0000262400000000, -0.0002163200000000, -0.0001424700000000 ] - [ -0.0007752100000000, 0.0025515600000000, -0.0008340200000000 ] - [ -0.0002364100000000, -0.0000296400000000, -0.0002266100000000 ] - [ -0.0001131900000000, 0.0052412200000000, -0.0030714000000000 ] - [ -0.0000863400000000, 0.0002793300000000, -0.0002276700000000 ] - [ -0.0026235900000000, -0.0005640600000000, -0.0008641000000000 ] - [ -0.0066638600000000, -0.0022261600000000, -0.0034842900000000 ] - [ -0.0002729400000000, -0.0000319100000000, -0.0003508800000000 ] - [ -0.0002513800000000, -0.0000876200000000, -0.0002140900000000 ] - [ 0.5540225100000000, -0.3048056800000000, -0.4523500100000000 ] - [ -0.0006012900000000, 0.0000526400000000, 0.0001041900000000 ] - [ -0.0001773300000000, 0.0003198100000000, 0.0000113700000000 ] - [ 0.0007130700000000, -0.0004513800000000, -0.0005596900000000 ] - [ -0.0013410700000000, -0.0005363100000000, 0.0013015900000000 ] - [ 0.0000969100000000, -0.0000622200000000, -0.0005584500000000 ] - [ -0.0002356200000000, -0.0002038400000000, 0.0001610500000000 ] - [ -0.0003524100000000, -0.0001582900000000, 0.0003125900000000 ] - [ -0.0001234300000000, -0.0002732300000000, 0.0001677500000000 ] - [ -0.0001108300000000, -0.0044478000000000, 0.0041969700000000 ] - [ 0.0001321800000000, -0.0005277000000000, 0.0003908500000000 ] - [ -0.0001136200000000, 0.0000311500000000, 0.0000536800000000 ] - [ -0.0006719200000000, 0.0003794800000000, 0.0004952000000000 ] - [ 0.0001443200000000, -0.0001000800000000, -0.0000373100000000 ] - [ -0.0001548400000000, 0.0000147100000000, 0.0000635100000000 ] - [ -0.0017126500000000, 0.0020920400000000, 0.0029079600000000 ] - [ 0.0014451500000000, -0.0008100100000000, 0.0032571200000000 ] - [ -0.0001500900000000, 0.0000835800000000, -0.0001131200000000 ] - [ -0.0000030400000000, 0.0000114200000000, 0.0000033200000000 ] - [ 0.0005983700000000, -0.0003642000000000, 0.0004609600000000 ] - [ -0.0002426300000000, 0.0014085200000000, 0.0012538900000000 ] - [ 0.0000475000000000, 0.0001124900000000, 0.0000071200000000 ] - [ 0.0001460800000000, 0.0001291800000000, -0.0002677600000000 ] - [ -0.0000585900000000, 0.0003964800000000, 0.0003327600000000 ] - [ -0.0005596400000000, 0.0003163000000000, -0.0003979500000000 ] - [ 0.0000032400000000, 0.0000666200000000, -0.0000076500000000 ] - [ -0.0002119400000000, 0.0000664900000000, -0.0001710200000000 ] - [ -0.0002391100000000, 0.0001454900000000, 0.0000376900000000 ] - [ 0.0002988200000000, 0.0002278200000000, -0.0002682900000000 ] - [ 0.0002369600000000, 0.0001386600000000, -0.0001101600000000 ] - [ 0.0003043500000000, 0.0001091400000000, 0.0000598800000000 ] - [ 0.0001603900000000, 0.0001213000000000, -0.0001460800000000 ] - [ 0.0001815100000000, 0.0002376300000000, 0.0001529900000000 ] - [ 0.0002862500000000, -0.0000773600000000, 0.0002899500000000 ] - [ 0.0037054100000000, 0.0013907900000000, 0.0022292100000000 ] - [ -0.0000814800000000, 0.0000835500000000, 0.0000650600000000 ] - [ 0.0000003200000000, 0.0008365100000000, -0.0005895100000000 ] - [ 0.0000160900000000, -0.0001928300000000, 0.0000693700000000 ] - [ 0.0763742800000000, -0.0125497500000000, -0.0185820900000000 ] - [ -0.0009106300000000, -0.0003142600000000, -0.0004658200000000 ] - [ -0.0000112300000000, 0.0003809000000000, 0.0002497100000000 ] - [ 0.0000056500000000, -0.0001056200000000, -0.0000157800000000 ] - [ 0.0011414800000000, -0.0004314100000000, 0.0004832200000000 ] - [ -0.0004298400000000, -0.0001356900000000, 0.0001975600000000 ] - [ 0.0005332800000000, -0.0003133300000000, 0.0000820600000000 ] - [ -0.0006366500000000, 0.0019455400000000, -0.0016873900000000 ] - [ -0.0012914700000000, -0.0000205900000000, -0.0008502700000000 ] - [ 0.0011685400000000, -0.0006200200000000, -0.0008167100000000 ] - [ 0.0095063600000000, -0.0059482200000000, -0.0099663600000000 ] - [ 0.0024770100000000, 0.0011573500000000, 0.0026090800000000 ] - [ 0.0001287100000000, -0.0018225400000000, 0.0017986500000000 ] - [ -0.0002506800000000, 0.0002392500000000, -0.0000680200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.6385420000000001, -0.3203228900000000, -0.4742214100000000 ] - [ -0.0010597100000000, 0.0004521800000000, 0.0008305700000000 ] - [ -0.0007813900000000, 0.0006113300000000, 0.0007251900000000 ] - [ -0.0000741500000000, -0.0000090400000000, 0.0002568400000000 ] - [ -0.0009656700000000, -0.0004339100000000, -0.0004582600000000 ] - [ -0.0155855000000000, 0.0014793500000000, 0.0021105900000000 ] - [ 0.0004076000000000, 0.0001885000000000, 0.0005196300000000 ] - [ 0.0004005700000000, 0.0004276800000000, 0.0004406900000000 ] - [ -0.0000075700000000, 0.0009992800000000, -0.0005066900000000 ] - [ -0.0000077100000000, -0.0006728700000000, 0.0006349900000000 ] - [ 0.0001581800000000, 0.0075871200000000, 0.0000671200000000 ] - [ -0.0002173000000000, -0.0005421900000000, 0.0004557800000000 ] - [ -0.0000842700000000, 0.0003905600000000, 0.0005157700000000 ] - [ 0.0001952200000000, 0.0007442000000000, 0.0008955200000000 ] - [ 0.0000048400000000, 0.0003272700000000, 0.0004455300000000 ] - [ -0.0000066300000000, 0.0004507300000000, 0.0004998800000000 ] - [ -0.0001904500000000, -0.0000912800000000, -0.0000450700000000 ] - [ 0.0010373600000000, 0.0003928600000000, -0.0007256900000000 ] - [ 0.0003142200000000, 0.0001562300000000, -0.0004436500000000 ] - [ 0.0003422600000000, 0.0002810400000000, -0.0004225600000000 ] - [ -0.0002157000000000, 0.0004532000000000, -0.0006200100000000 ] - [ 0.0001454000000000, -0.0025072400000000, 0.0069845300000000 ] - [ 0.0000162100000000, 0.0003290100000000, -0.0004541100000000 ] - [ -0.0000202600000000, 0.0005739700000000, -0.0005724400000000 ] - [ 0.0001388200000000, -0.0001223100000000, -0.0003032000000000 ] - [ 0.0006391800000000, -0.0001638800000000, -0.0008421200000000 ] - [ 0.0002806300000000, -0.0003801400000000, -0.0007272300000000 ] - [ -0.0109150900000000, 0.0114288000000000, 0.0159581600000000 ] - [ 0.0014134100000000, -0.0007393000000000, 0.0005791900000000 ] - [ -0.0006429200000000, 0.0002999200000000, -0.0006016000000000 ] - [ -0.0005393100000000, 0.0003811600000000, -0.0005709300000000 ] - [ -0.0001694600000000, 0.0000756800000000, -0.0003333300000000 ] - [ -0.0000086000000000, 0.0001793900000000, -0.0000503200000000 ] - [ 0.0000028400000000, -0.0004435000000000, -0.0004901000000000 ] - [ 0.0002251300000000, -0.0008594600000000, -0.0005947300000000 ] - [ -0.0000918800000000, -0.0004002000000000, -0.0004097600000000 ] - [ 0.0002254300000000, -0.0001496800000000, 0.0003809800000000 ] - [ 0.0004932600000000, -0.0002137200000000, 0.0006453400000000 ] - [ 0.0003513300000000, -0.0002755100000000, 0.0005861600000000 ] - [ 0.0004033400000000, -0.0001950300000000, 0.0004851000000000 ] - [ -0.0003752100000000, -0.0001395500000000, 0.0005340100000000 ] - [ -0.0003495400000000, -0.0002277600000000, 0.0004870300000000 ] - [ -0.0003885900000000, -0.0004119700000000, 0.0008110500000000 ] - [ -0.0004030500000000, -0.0002069500000000, 0.0004850100000000 ] - [ -0.0004512500000000, -0.0000556100000000, -0.0006304900000000 ] - [ -0.0004570200000000, -0.0003280400000000, -0.0005619500000000 ] - [ 0.0071137600000000, -0.0015216600000000, -0.0021962200000000 ] - [ -0.0005716500000000, -0.0002610100000000, -0.0005688900000000 ] - [ 0.0000539800000000, -0.0005487200000000, -0.0003450500000000 ] - [ -0.0000708800000000, -0.0007848000000000, -0.0010123300000000 ] - [ 0.0000015100000000, -0.0004716400000000, -0.0003764000000000 ] - [ 0.0000239300000000, -0.0007049100000000, -0.0004784700000000 ] - [ 0.0007920000000000, -0.0016934600000000, 0.0002600300000000 ] - [ 0.0002427500000000, 0.0010093000000000, -0.0004175400000000 ] - [ 0.0001063800000000, -0.0043728000000000, 0.0024792500000000 ] - [ 0.0000855600000000, 0.0006572600000000, -0.0004036200000000 ] - [ 0.0018220400000000, 0.0001139300000000, 0.0002585000000000 ] - [ 0.0059105800000000, 0.0017843200000000, 0.0029018200000000 ] - [ -0.0005545500000000, -0.0004554200000000, -0.0002943900000000 ] - [ -0.0005194800000000, -0.0003615600000000, -0.0003807300000000 ] - [ -0.5369058600000000, 0.2876887000000000, 0.4271331900000000 ] - [ 0.0014496200000000, -0.0005302900000000, -0.0007493300000000 ] - [ 0.0009658800000000, -0.0007830700000000, -0.0006228500000000 ] - [ 0.0001339900000000, -0.0000407600000000, -0.0000983900000000 ] - [ 0.0005732200000000, 0.0001062200000000, -0.0007111900000000 ] - [ -0.0009068300000000, -0.0004066500000000, 0.0012070300000000 ] - [ -0.0005704900000000, -0.0002660500000000, 0.0004668500000000 ] - [ -0.0004412700000000, -0.0003012500000000, 0.0003020700000000 ] - [ 0.0001272300000000, -0.0006557800000000, 0.0004662600000000 ] - [ 0.0000978200000000, 0.0035715700000000, -0.0036197300000000 ] - [ -0.0001324400000000, -0.0004331700000000, 0.0002523500000000 ] - [ 0.0001102300000000, -0.0009348400000000, 0.0005409000000000 ] - [ -0.0001694000000000, 0.0001157900000000, 0.0001635600000000 ] - [ -0.0009357300000000, 0.0005608600000000, 0.0006532000000000 ] - [ -0.0006739600000000, 0.0004608500000000, 0.0005831300000000 ] - [ 0.0009037400000000, -0.0016508100000000, -0.0023106500000000 ] - [ -0.0006434400000000, 0.0003565400000000, -0.0026951100000000 ] - [ 0.0009694000000000, -0.0005587000000000, 0.0007591000000000 ] - [ 0.0008149300000000, -0.0004778900000000, 0.0006283200000000 ] - [ 0.0002243600000000, -0.0001122700000000, 0.0001822200000000 ] - [ 0.0002489200000000, -0.0005041100000000, -0.0006554100000000 ] - [ -0.0000480800000000, 0.0008289700000000, 0.0006280700000000 ] - [ -0.0001425900000000, 0.0008003700000000, 0.0009037700000000 ] - [ 0.0000545600000000, 0.0005226200000000, 0.0002917300000000 ] - [ -0.0002605400000000, 0.0001609300000000, -0.0002454800000000 ] - [ -0.0008168800000000, 0.0004033700000000, -0.0006236100000000 ] - [ -0.0005991500000000, 0.0003991900000000, -0.0004665800000000 ] - [ -0.0005816800000000, 0.0003244400000000, -0.0006927600000000 ] - [ 0.0004971200000000, 0.0002353800000000, -0.0003492300000000 ] - [ 0.0005703000000000, 0.0003302500000000, -0.0005219900000000 ] - [ 0.0004998000000000, 0.0003530300000000, -0.0006874600000000 ] - [ 0.0006345000000000, 0.0003379700000000, -0.0004857000000000 ] - [ 0.0005911600000000, 0.0002135500000000, 0.0004438300000000 ] - [ 0.0005395500000000, 0.0005661200000000, 0.0003520900000000 ] - [ -0.0029196500000000, -0.0009297400000000, -0.0016092700000000 ] - [ 0.0009046600000000, 0.0003830100000000, 0.0005671400000000 ] - [ -0.0000002300000000, -0.0008529500000000, 0.0005992500000000 ] - [ -0.0000149700000000, 0.0001999000000000, -0.0000725100000000 ] - [ -0.0785505000000000, 0.0138460000000000, 0.0204761400000000 ] - [ 0.0009221600000000, 0.0003127500000000, 0.0004665000000000 ] - [ 0.0000106700000000, -0.0003906400000000, -0.0002550000000000 ] - [ -0.0000050200000000, 0.0001076800000000, 0.0000142900000000 ] - [ -0.0011745200000000, 0.0004427600000000, -0.0004960600000000 ] - [ 0.0004397000000000, 0.0001388000000000, -0.0002032100000000 ] - [ -0.0005467700000000, 0.0003200600000000, -0.0000909000000000 ] - [ 0.0006473800000000, -0.0019721100000000, 0.0017224800000000 ] - [ 0.0012880700000000, 0.0000109600000000, 0.0008542400000000 ] - [ -0.0012004800000000, 0.0006394400000000, 0.0008283500000000 ] - [ -0.0097510700000000, 0.0059308300000000, 0.0100277300000000 ] - [ -0.0025216400000000, -0.0011852300000000, -0.0026676300000000 ] - [ -0.0001304500000000, 0.0018470600000000, -0.0018338400000000 ] - [ 0.0002597200000000, -0.0002359100000000, 0.0000750900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.4767606200000000, -0.2752578700000000, -0.4897260300000000 ] - [ -0.0006773700000000, 0.0002686900000000, 0.0005503300000000 ] - [ -0.0005713800000000, 0.0004522800000000, 0.0005503300000000 ] - [ -0.0000983300000000, 0.0000567700000000, 0.0002162500000000 ] - [ -0.0006203800000000, -0.0004079300000000, -0.0004533400000000 ] - [ 0.0019353500000000, -0.0012517300000000, -0.0060463400000000 ] - [ 0.0002827600000000, 0.0001816100000000, 0.0003693200000000 ] - [ 0.0003538700000000, 0.0003359100000000, 0.0003673800000000 ] - [ 0.0000430800000000, 0.0007412300000000, -0.0004533400000000 ] - [ -0.0000159000000000, -0.0003356800000000, 0.0003693200000000 ] - [ 0.0020517000000000, -0.0010502000000000, -0.0060463400000000 ] - [ -0.0001139700000000, -0.0004744100000000, 0.0003673800000000 ] - [ -0.0000374700000000, 0.0003663300000000, 0.0005196300000000 ] - [ 0.0000863300000000, 0.0007999900000000, 0.0010025000000000 ] - [ -0.0000038500000000, 0.0003835100000000, 0.0004939700000000 ] - [ 0.0000070400000000, 0.0003806600000000, 0.0004777800000000 ] - [ -0.0001094000000000, -0.0000689100000000, -0.0000657000000000 ] - [ 0.0005644500000000, 0.0001817300000000, -0.0002623900000000 ] - [ 0.0002222500000000, 0.0001325700000000, -0.0003392500000000 ] - [ 0.0002952700000000, 0.0002244500000000, -0.0003605600000000 ] - [ -0.0001043100000000, 0.0003950400000000, -0.0006132900000000 ] - [ -0.0091802800000000, -0.0029832800000000, 0.0089298200000000 ] - [ -0.0000009000000000, 0.0005438100000000, -0.0006156300000000 ] - [ 0.0000063900000000, 0.0004805100000000, -0.0005524800000000 ] - [ 0.0001423000000000, -0.0000821600000000, -0.0003543700000000 ] - [ 0.0006894600000000, -0.0002611000000000, -0.0008722600000000 ] - [ 0.0005708500000000, -0.0004665400000000, -0.0008722600000000 ] - [ -0.0161174000000000, 0.0093053900000000, 0.0043343200000000 ] - [ 0.0007202800000000, -0.0004158500000000, 0.0007730800000000 ] - [ -0.0004415000000000, 0.0002042500000000, -0.0004531600000000 ] - [ -0.0003976300000000, 0.0002802200000000, -0.0004531600000000 ] - [ -0.0001543600000000, 0.0000891200000000, -0.0002771000000000 ] - [ 0.0000049800000000, 0.0001292000000000, -0.0000657000000000 ] - [ -0.0000036900000000, -0.0002587600000000, -0.0003392500000000 ] - [ 0.0001248400000000, -0.0005796900000000, -0.0002623900000000 ] - [ -0.0000467500000000, -0.0003679300000000, -0.0003605600000000 ] - [ 0.0002025200000000, -0.0001169300000000, 0.0003928500000000 ] - [ 0.0004688200000000, -0.0002179300000000, 0.0006269100000000 ] - [ 0.0004231500000000, -0.0002970400000000, 0.0006269100000000 ] - [ 0.0003317500000000, -0.0001915400000000, 0.0006099700000000 ] - [ -0.0003359900000000, -0.0001507200000000, 0.0005196300000000 ] - [ -0.0003340500000000, -0.0001884300000000, 0.0004939700000000 ] - [ -0.0006496500000000, -0.0004747600000000, 0.0010025000000000 ] - [ -0.0003261500000000, -0.0001964300000000, 0.0004777800000000 ] - [ -0.0003942700000000, -0.0001071800000000, -0.0006132900000000 ] - [ -0.0004714000000000, -0.0002711200000000, -0.0006156300000000 ] - [ -0.0020065400000000, 0.0094420000000000, 0.0089298200000000 ] - [ -0.0004129400000000, -0.0002457900000000, -0.0005524800000000 ] - [ 0.0000258000000000, -0.0005594900000000, -0.0003851800000000 ] - [ -0.0000214500000000, -0.0009515100000000, -0.0012164500000000 ] - [ 0.0000137400000000, -0.0007886500000000, -0.0006380100000000 ] - [ 0.0000141000000000, -0.0006777900000000, -0.0004713400000000 ] - [ 0.0007049300000000, -0.0013156800000000, 0.0001529900000000 ] - [ 0.0000642900000000, 0.0004772000000000, -0.0002151500000000 ] - [ -0.0002474600000000, -0.0018736000000000, 0.0022841800000000 ] - [ 0.0000409600000000, 0.0006160000000000, -0.0003664900000000 ] - [ 0.0014918700000000, 0.0000473500000000, 0.0001529900000000 ] - [ 0.0014988600000000, 0.0011511000000000, 0.0022841800000000 ] - [ -0.0003811300000000, -0.0002942800000000, -0.0002151500000000 ] - [ -0.0005129900000000, -0.0003434700000000, -0.0003664900000000 ] - [ -0.4291382500000000, 0.2477630800000000, 0.4050269500000000 ] - [ 0.0008278300000000, -0.0003695000000000, -0.0004962100000000 ] - [ 0.0007339100000000, -0.0005321700000000, -0.0004962100000000 ] - [ 0.0001888500000000, -0.0001090300000000, -0.0001305400000000 ] - [ 0.0004513700000000, 0.0000215900000000, -0.0004543600000000 ] - [ -0.0006517000000000, -0.0002550600000000, 0.0005007100000000 ] - [ -0.0004322400000000, -0.0002018400000000, 0.0003606300000000 ] - [ -0.0004250900000000, -0.0002810600000000, 0.0002959600000000 ] - [ 0.0000619300000000, -0.0006462000000000, 0.0004740800000000 ] - [ 0.0014011600000000, 0.0037221800000000, -0.0041247100000000 ] - [ -0.0002142700000000, -0.0008940400000000, 0.0004626500000000 ] - [ 0.0000884600000000, -0.0008873600000000, 0.0005365200000000 ] - [ -0.0002468700000000, 0.0001425300000000, 0.0002357700000000 ] - [ -0.0010086800000000, 0.0007289300000000, 0.0007395700000000 ] - [ -0.0011356100000000, 0.0005090700000000, 0.0007395700000000 ] - [ 0.0022186300000000, -0.0012809300000000, -0.0000219000000000 ] - [ -0.0003170400000000, 0.0001830400000000, -0.0015778700000000 ] - [ 0.0005989300000000, -0.0003556800000000, 0.0004632100000000 ] - [ 0.0006074900000000, -0.0003408400000000, 0.0004632100000000 ] - [ 0.0002751000000000, -0.0001588300000000, 0.0002191200000000 ] - [ 0.0002069800000000, -0.0004017000000000, -0.0004543600000000 ] - [ -0.0000413200000000, 0.0004752500000000, 0.0003606300000000 ] - [ -0.0001049600000000, 0.0006919200000000, 0.0005007100000000 ] - [ 0.0000308600000000, 0.0005086700000000, 0.0002959600000000 ] - [ -0.0003347900000000, 0.0001932900000000, -0.0003186900000000 ] - [ -0.0008787800000000, 0.0004509100000000, -0.0007284300000000 ] - [ -0.0008298900000000, 0.0005355900000000, -0.0007284300000000 ] - [ -0.0006199400000000, 0.0003579200000000, -0.0006856900000000 ] - [ 0.0004974300000000, 0.0002574000000000, -0.0003851800000000 ] - [ 0.0006898600000000, 0.0003824300000000, -0.0006380100000000 ] - [ 0.0008133100000000, 0.0004943300000000, -0.0012164500000000 ] - [ 0.0005940400000000, 0.0003266800000000, -0.0004713400000000 ] - [ 0.0005905900000000, 0.0002694700000000, 0.0004740800000000 ] - [ 0.0006671300000000, 0.0006325800000000, 0.0004626500000000 ] - [ -0.0025229200000000, -0.0030745300000000, -0.0041247100000000 ] - [ 0.0008127100000000, 0.0003670800000000, 0.0005365200000000 ] - [ -0.0001239700000000, -0.0006102100000000, 0.0006434500000000 ] - [ 0.0000881600000000, -0.0000509000000000, 0.0002368300000000 ] - [ -0.0207271300000000, 0.0119668100000000, 0.0709494900000000 ] - [ 0.0004664800000000, 0.0004124700000000, 0.0006434500000000 ] - [ -0.0000488800000000, -0.0002707000000000, -0.0002946500000000 ] - [ 0.0000460200000000, -0.0000265700000000, -0.0001613500000000 ] - [ -0.0005498800000000, 0.0003174800000000, -0.0008651300000000 ] - [ 0.0002099900000000, 0.0001776800000000, -0.0002946500000000 ] - [ -0.0003638600000000, 0.0002100800000000, -0.0000164000000000 ] - [ 0.0004104700000000, -0.0023402400000000, 0.0021160800000000 ] - [ 0.0022319400000000, 0.0008146400000000, 0.0021160800000000 ] - [ -0.0008952900000000, 0.0005169000000000, 0.0007864500000000 ] - [ -0.0089878400000000, 0.0051891300000000, 0.0077116100000000 ] - [ -0.0006428000000000, -0.0001849100000000, -0.0010285700000000 ] - [ -0.0001612600000000, 0.0006491400000000, -0.0010285700000000 ] - [ 0.0002399200000000, -0.0001385200000000, 0.0000149500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.4948838400000000, 0.2857213200000000, 0.4951127800000000 ] - [ 0.0000454200000000, 0.0000928800000000, 0.0003327100000000 ] - [ -0.0000577300000000, -0.0000857800000000, 0.0003327100000000 ] - [ -0.0005466400000000, 0.0003156000000000, 0.0006866400000000 ] - [ 0.0012137000000000, 0.0007474300000000, 0.0013045100000000 ] - [ -0.0013699100000000, 0.0015856000000000, 0.0067968500000000 ] - [ 0.0003367400000000, 0.0001770700000000, 0.0005098600000000 ] - [ 0.0002508200000000, 0.0000158000000000, 0.0004964300000000 ] - [ -0.0000404400000000, -0.0014248100000000, 0.0013045100000000 ] - [ 0.0000150300000000, -0.0003801600000000, 0.0005098600000000 ] - [ -0.0020581300000000, 0.0003935700000000, 0.0067968500000000 ] - [ 0.0001117200000000, -0.0002251200000000, 0.0004964300000000 ] - [ 0.0000396800000000, 0.0003454700000000, 0.0003582500000000 ] - [ -0.0000879100000000, -0.0000998300000000, -0.0001336700000000 ] - [ 0.0000046400000000, 0.0002907300000000, 0.0003539300000000 ] - [ -0.0000043800000000, 0.0003293600000000, 0.0004006400000000 ] - [ 0.0007259100000000, 0.0004254800000000, -0.0008091400000000 ] - [ 0.0000382900000000, 0.0001678700000000, -0.0006012000000000 ] - [ 0.0003585100000000, 0.0002043400000000, -0.0005083000000000 ] - [ 0.0003192200000000, 0.0001314000000000, -0.0005099200000000 ] - [ 0.0001045000000000, 0.0003031800000000, -0.0002565400000000 ] - [ 0.0090695600000000, 0.0035555200000000, -0.0096906400000000 ] - [ 0.0000028200000000, 0.0001798800000000, -0.0002693800000000 ] - [ -0.0000054000000000, 0.0002254600000000, -0.0003208300000000 ] - [ 0.0004976800000000, -0.0002873300000000, -0.0005392800000000 ] - [ -0.0000587000000000, -0.0001005800000000, -0.0000176400000000 ] - [ 0.0000577600000000, 0.0001011200000000, -0.0000176400000000 ] - [ 0.0165329300000000, -0.0095452900000000, -0.0051701500000000 ] - [ -0.0013495800000000, 0.0007791800000000, -0.0016605600000000 ] - [ -0.0001908600000000, 0.0001602600000000, -0.0004366500000000 ] - [ -0.0002342100000000, 0.0000851600000000, -0.0004366500000000 ] - [ -0.0004424400000000, 0.0002554400000000, -0.0005830900000000 ] - [ -0.0000055300000000, -0.0008414000000000, -0.0008091400000000 ] - [ 0.0000023000000000, -0.0004126500000000, -0.0005083000000000 ] - [ -0.0001262400000000, -0.0001170900000000, -0.0006012000000000 ] - [ 0.0000458200000000, -0.0003421500000000, -0.0005099200000000 ] - [ 0.0003941000000000, -0.0002275300000000, 0.0004659500000000 ] - [ 0.0001572600000000, -0.0001422100000000, 0.0002585500000000 ] - [ 0.0002017800000000, -0.0000650900000000, 0.0002585500000000 ] - [ 0.0002886500000000, -0.0001666500000000, 0.0002730200000000 ] - [ -0.0002793400000000, -0.0002071000000000, 0.0003582500000000 ] - [ -0.0002494600000000, -0.0001493800000000, 0.0003539300000000 ] - [ 0.0000425000000000, 0.0001260500000000, -0.0001336700000000 ] - [ -0.0002874300000000, -0.0001608900000000, 0.0004006400000000 ] - [ -0.0002103100000000, -0.0002420900000000, -0.0002565400000000 ] - [ -0.0001543700000000, -0.0000923800000000, -0.0002693800000000 ] - [ 0.0014556100000000, -0.0096322300000000, -0.0096906400000000 ] - [ -0.0001979500000000, -0.0001080600000000, -0.0003208300000000 ] - [ -0.0000223600000000, -0.0004201300000000, -0.0002678900000000 ] - [ 0.0000159600000000, -0.0000617200000000, 0.0005280300000000 ] - [ -0.0000163400000000, -0.0002178100000000, -0.0000413000000000 ] - [ -0.0000126400000000, -0.0003162400000000, -0.0001879900000000 ] - [ -0.0006879100000000, 0.0022992700000000, -0.0008395300000000 ] - [ -0.0000649100000000, 0.0005211900000000, -0.0004557500000000 ] - [ 0.0002467900000000, 0.0028573900000000, -0.0029201900000000 ] - [ -0.0000398800000000, 0.0003986600000000, -0.0003133200000000 ] - [ -0.0023351800000000, -0.0005538900000000, -0.0008395300000000 ] - [ -0.0023511700000000, -0.0016424200000000, -0.0029201900000000 ] - [ -0.0004838100000000, -0.0002043800000000, -0.0004557500000000 ] - [ -0.0003651900000000, -0.0001647900000000, -0.0003133200000000 ] - [ 0.4493531400000000, -0.2594341600000000, -0.4116512000000000 ] - [ 0.0000712300000000, -0.0001518200000000, -0.0002074700000000 ] - [ 0.0001671000000000, 0.0000142300000000, -0.0002074700000000 ] - [ 0.0006929200000000, -0.0004000600000000, -0.0005491400000000 ] - [ -0.0012913700000000, -0.0005042100000000, 0.0011037200000000 ] - [ -0.0002188700000000, -0.0002516400000000, 0.0001743200000000 ] - [ -0.0004377300000000, -0.0003009700000000, 0.0003126400000000 ] - [ -0.0004193100000000, -0.0002070800000000, 0.0003567100000000 ] - [ -0.0000572700000000, -0.0003662800000000, 0.0002074500000000 ] - [ -0.0013919800000000, -0.0046667700000000, 0.0047541000000000 ] - [ 0.0002135800000000, -0.0001131400000000, 0.0002138000000000 ] - [ -0.0000869700000000, -0.0001431400000000, 0.0001539200000000 ] - [ -0.0006280200000000, 0.0003625900000000, 0.0004522400000000 ] - [ 0.0000998600000000, -0.0002032000000000, -0.0000323000000000 ] - [ 0.0002259100000000, 0.0000151200000000, -0.0000323000000000 ] - [ -0.0030498500000000, 0.0017608300000000, 0.0006904700000000 ] - [ 0.0011983900000000, -0.0006918900000000, 0.0022952300000000 ] - [ 0.0002703100000000, -0.0001476100000000, 0.0002047500000000 ] - [ 0.0002629900000000, -0.0001602900000000, 0.0002047500000000 ] - [ 0.0006016400000000, -0.0003473600000000, 0.0004592700000000 ] - [ -0.0002090200000000, 0.0013704600000000, 0.0011037200000000 ] - [ 0.0000417900000000, 0.0005295700000000, 0.0003126400000000 ] - [ 0.0001084900000000, 0.0003153700000000, 0.0001743200000000 ] - [ -0.0000303100000000, 0.0004666700000000, 0.0003567100000000 ] - [ -0.0005420000000000, 0.0003129200000000, -0.0003661600000000 ] - [ 0.0000013600000000, 0.0000547800000000, 0.0000509800000000 ] - [ -0.0000467600000000, -0.0000285700000000, 0.0000509800000000 ] - [ -0.0002716600000000, 0.0001568400000000, -0.0000122000000000 ] - [ 0.0003526700000000, 0.0002294300000000, -0.0002678900000000 ] - [ 0.0001804600000000, 0.0001230500000000, -0.0000413000000000 ] - [ 0.0000614300000000, 0.0000170400000000, 0.0005280300000000 ] - [ 0.0002675500000000, 0.0001690600000000, -0.0001879900000000 ] - [ 0.0002885700000000, 0.0002327400000000, 0.0002074500000000 ] - [ 0.0002047800000000, -0.0001284000000000, 0.0002138000000000 ] - [ 0.0033455500000000, 0.0035388800000000, 0.0047541000000000 ] - [ 0.0000804800000000, 0.0001468900000000, 0.0001539200000000 ] - [ 0.0001201700000000, 0.0005989300000000, -0.0006283500000000 ] - [ -0.0000851900000000, 0.0000491900000000, -0.0002274000000000 ] - [ 0.0190817900000000, -0.0110168800000000, -0.0697034400000000 ] - [ -0.0004586000000000, -0.0004035300000000, -0.0006283500000000 ] - [ 0.0000497500000000, 0.0002681900000000, 0.0002913400000000 ] - [ -0.0000447700000000, 0.0000258500000000, 0.0001540900000000 ] - [ 0.0005566300000000, -0.0003213700000000, 0.0008593600000000 ] - [ -0.0002073900000000, -0.0001771800000000, 0.0002913400000000 ] - [ 0.0003543900000000, -0.0002046100000000, 0.0000113800000000 ] - [ -0.0004055400000000, 0.0023020100000000, -0.0020855700000000 ] - [ -0.0021963700000000, -0.0007997900000000, -0.0020855700000000 ] - [ 0.0008688900000000, -0.0005016500000000, -0.0007787300000000 ] - [ 0.0090250400000000, -0.0052106100000000, -0.0075348300000000 ] - [ 0.0006483700000000, 0.0001914800000000, 0.0010340800000000 ] - [ 0.0001583500000000, -0.0006572500000000, 0.0010340800000000 ] - [ -0.0002301000000000, 0.0001328500000000, -0.0000121400000000 ]- atom: 49 displacement: [ -0.0049999999983397, 0.0086602540388030, 0.0000000000000000 ] forces: - [ -0.0001597800000000, 0.0001097800000000, 0.0003139100000000 ] - [ -0.0000213500000000, 0.0001734800000000, 0.0000182500000000 ] - [ -0.0002556200000000, -0.0000340900000000, 0.0001392200000000 ] - [ -0.0000718600000000, 0.0000163000000000, 0.0002407100000000 ] - [ -0.0000592600000000, 0.0001446200000000, -0.0000085900000000 ] - [ 0.0002048600000000, 0.0001270100000000, 0.0003300600000000 ] - [ 0.0002670300000000, -0.0000301200000000, 0.0001620300000000 ] - [ 0.0000667200000000, 0.0000143300000000, 0.0002303500000000 ] - [ -0.0001570700000000, 0.0000718700000000, -0.0000572800000000 ] - [ 0.0001426600000000, -0.0000126700000000, 0.0000072600000000 ] - [ 0.0000079300000000, -0.0004592400000000, 0.0004875500000000 ] - [ -0.0000087000000000, -0.0000919900000000, 0.0002092200000000 ] - [ -0.0131544300000000, 0.6319374200000000, 0.4517684000000000 ] - [ 0.0000311200000000, 0.0006401900000000, 0.0006337600000000 ] - [ 0.0002732100000000, -0.0007337400000000, 0.0000089300000000 ] - [ -0.0002042900000000, -0.0004582200000000, 0.0001131600000000 ] - [ 0.0037834400000000, 0.0011917800000000, -0.0047046100000000 ] - [ 0.0001459700000000, 0.0001078600000000, -0.0002885400000000 ] - [ 0.0002249500000000, -0.0002326400000000, 0.0000575400000000 ] - [ -0.0000911500000000, -0.0000745600000000, -0.0001195600000000 ] - [ -0.0000141600000000, 0.0014676700000000, -0.0011346400000000 ] - [ 0.0000167300000000, 0.0005170500000000, -0.0005468700000000 ] - [ 0.0001566100000000, -0.0002335500000000, -0.0002338800000000 ] - [ -0.0001610700000000, -0.0002527700000000, -0.0002084500000000 ] - [ 0.0012449900000000, -0.0007106700000000, -0.0012714300000000 ] - [ -0.0000708000000000, -0.0001494800000000, -0.0003964300000000 ] - [ -0.0000993200000000, 0.0002169400000000, -0.0001760200000000 ] - [ 0.0002350900000000, -0.0001307200000000, -0.0003823100000000 ] - [ -0.0000298900000000, 0.0000590500000000, -0.0002380200000000 ] - [ -0.0036905300000000, 0.0020107000000000, -0.0033134000000000 ] - [ -0.0003768300000000, -0.0000461800000000, -0.0001739800000000 ] - [ 0.0002032100000000, -0.0001492700000000, -0.0000279400000000 ] - [ -0.0002111100000000, 0.0001856200000000, 0.0001550400000000 ] - [ 0.0002902600000000, 0.0001742900000000, 0.0002934200000000 ] - [ 0.0000149500000000, -0.0005659200000000, -0.0005702300000000 ] - [ -0.0009757400000000, -0.0023573200000000, -0.0030103300000000 ] - [ 0.0025032200000000, -0.0014259100000000, 0.0023054100000000 ] - [ -0.0000584800000000, -0.0001869900000000, 0.0004552700000000 ] - [ 0.0044781500000000, -0.0049685500000000, 0.0023069100000000 ] - [ 0.0001404800000000, -0.0000747600000000, 0.0003143900000000 ] - [ -0.0017156100000000, -0.0009340200000000, 0.0016103200000000 ] - [ 0.0003160100000000, -0.0001818600000000, 0.0003729300000000 ] - [ -0.0000429000000000, -0.0000568700000000, 0.0002662000000000 ] - [ -0.0043665500000000, -0.0034086500000000, 0.0025477900000000 ] - [ -0.0009726600000000, -0.0006082600000000, -0.0010406400000000 ] - [ 0.0000123700000000, -0.0001918200000000, -0.0004451500000000 ] - [ -0.0001715200000000, -0.0001125500000000, -0.0003446600000000 ] - [ -0.0000324800000000, 0.0001871700000000, -0.0002747000000000 ] - [ 0.0091807700000000, -0.6791200700000000, -0.4891463000000000 ] - [ -0.0000608000000000, -0.0008843100000000, -0.0005728600000000 ] - [ -0.0002910200000000, 0.0008324500000000, 0.0002546400000000 ] - [ 0.0002629700000000, 0.0005346300000000, 0.0000701600000000 ] - [ 0.0000602000000000, -0.0003507800000000, 0.0002964000000000 ] - [ -0.0000552000000000, -0.0002687700000000, 0.0001949200000000 ] - [ -0.0000000200000000, 0.0007110900000000, -0.0003881900000000 ] - [ 0.0000006600000000, 0.0003062900000000, 0.0003892900000000 ] - [ -0.0002109800000000, -0.0002302200000000, 0.0003571000000000 ] - [ -0.0002032800000000, -0.0001539500000000, -0.0000719000000000 ] - [ -0.0002023200000000, -0.0000199900000000, -0.0001085400000000 ] - [ 0.0002978200000000, 0.0002041800000000, 0.0003056000000000 ] - [ 0.0001226000000000, -0.0001071400000000, -0.0000098400000000 ] - [ 0.0003140800000000, -0.0002854600000000, 0.0002471200000000 ] - [ 0.0002295400000000, -0.0000336100000000, -0.0000921200000000 ] - [ -0.0003052700000000, 0.0002075700000000, 0.0002755200000000 ] - [ -0.0036642200000000, -0.0021332300000000, 0.0033129900000000 ] - [ -0.0000996900000000, -0.0003252600000000, 0.0002650400000000 ] - [ -0.0001050200000000, 0.0001053300000000, -0.0000349500000000 ] - [ 0.0003228600000000, 0.0004820500000000, -0.0001526700000000 ] - [ 0.0008564800000000, -0.0036031400000000, 0.0018858500000000 ] - [ -0.0000303100000000, -0.0007491200000000, 0.0004485700000000 ] - [ -0.0000628000000000, 0.0004141000000000, -0.0002161700000000 ] - [ 0.0000582000000000, 0.0003618700000000, -0.0002226200000000 ] - [ -0.0038908300000000, 0.0014344700000000, 0.0029130400000000 ] - [ -0.0001468800000000, 0.0001176000000000, 0.0001569300000000 ] - [ -0.0002316200000000, 0.0001253900000000, -0.0003324000000000 ] - [ -0.0001876200000000, 0.0001033100000000, 0.0000834000000000 ] - [ -0.0000379900000000, -0.0002461800000000, 0.0002279100000000 ] - [ 0.0036883900000000, -0.0023497900000000, 0.0030746700000000 ] - [ 0.0003237000000000, -0.0000197900000000, 0.0001450100000000 ] - [ -0.0005532100000000, 0.0006001600000000, -0.0003302200000000 ] - [ -0.0000785000000000, -0.0004640000000000, -0.0001527000000000 ] - [ 0.0000226700000000, -0.0005030500000000, -0.0002964100000000 ] - [ 0.0000117200000000, 0.0008394200000000, 0.0005071800000000 ] - [ 0.0001694800000000, 0.0047033900000000, 0.0036795500000000 ] - [ -0.0042205400000000, 0.0054357800000000, -0.0015097000000000 ] - [ -0.0001954300000000, 0.0001309800000000, -0.0002179900000000 ] - [ -0.0037837900000000, 0.0025469000000000, -0.0030664300000000 ] - [ -0.0000501200000000, 0.0002277700000000, -0.0003060900000000 ] - [ 0.0037679300000000, 0.0026812000000000, -0.0017426400000000 ] - [ -0.0000581900000000, 0.0000878300000000, -0.0000900300000000 ] - [ -0.0000571300000000, 0.0002679700000000, -0.0002487200000000 ] - [ 0.0037846800000000, 0.0021713200000000, -0.0031514600000000 ] - [ 0.0052742000000000, 0.0014176400000000, 0.0037784300000000 ] - [ 0.0001129000000000, 0.0001428700000000, 0.0002052400000000 ] - [ 0.0001164100000000, 0.0001069900000000, 0.0000279900000000 ] - [ 0.0003081100000000, 0.0000799900000000, -0.0002246600000000 ] - [ 0.0008516600000000, 0.0006022700000000, 0.0007470600000000 ] - [ -0.0008433900000000, 0.0005830500000000, 0.0007187300000000 ] - [ -0.0000446500000000, -0.0000184100000000, 0.0000304000000000 ] - [ 0.0000393300000000, -0.0009863800000000, 0.0006174100000000 ] - [ 0.0011053800000000, 0.0005997200000000, -0.0009478600000000 ] - [ -0.0015595600000000, 0.0008552400000000, -0.0013277800000000 ] - [ -0.0000738900000000, -0.0000334200000000, -0.0000181900000000 ] - [ 0.0073017600000000, 0.0131314200000000, 0.0178379200000000 ] - [ -0.0055318900000000, 0.0323560500000000, 0.0170729400000000 ] - [ 0.0003043400000000, 0.0006853300000000, 0.0000742100000000 ] - [ 0.0021403500000000, -0.0020896700000000, 0.0020770200000000 ] - [ -0.0019355700000000, -0.0015656300000000, 0.0020348900000000 ] - [ 0.0017816800000000, 0.0019423800000000, -0.0019894000000000 ] - [ -0.0016297000000000, 0.0020825300000000, -0.0015831400000000 ] - [ -0.0001507600000000, -0.0009486100000000, -0.0000439600000000 ] - [ 0.0001545200000000, -0.0032082900000000, -0.0020975400000000 ]- atom: 49 displacement: [ 0.0049999999983397, -0.0086602540388030, 0.0000000000000000 ] forces: - [ -0.0003898300000000, 0.0002069900000000, 0.0005081600000000 ] - [ -0.0005189000000000, 0.0001339700000000, 0.0007999100000000 ] - [ -0.0002831900000000, 0.0003465000000000, 0.0006757400000000 ] - [ -0.0005089300000000, 0.0003191200000000, 0.0006065600000000 ] - [ 0.0005829400000000, 0.0001551500000000, 0.0008128500000000 ] - [ 0.0003286400000000, 0.0001823000000000, 0.0004790100000000 ] - [ 0.0002945800000000, 0.0003559700000000, 0.0006719500000000 ] - [ 0.0004569400000000, 0.0002892000000000, 0.0005702400000000 ] - [ 0.0001569700000000, -0.0006790300000000, 0.0008629800000000 ] - [ -0.0001445700000000, -0.0006378200000000, 0.0008292700000000 ] - [ -0.0000092200000000, -0.0001543800000000, 0.0003193100000000 ] - [ 0.0000088400000000, -0.0005079000000000, 0.0005878400000000 ] - [ 0.0191969400000000, -0.6090756100000000, -0.4268213700000000 ] - [ -0.0000309900000000, -0.0000209400000000, 0.0001729400000000 ] - [ -0.0002744700000000, 0.0013404300000000, 0.0007916500000000 ] - [ 0.0002075200000000, 0.0010832300000000, 0.0006975000000000 ] - [ -0.0032649700000000, -0.0008785200000000, 0.0039104500000000 ] - [ 0.0003936600000000, 0.0002040000000000, -0.0005221700000000 ] - [ 0.0002916000000000, 0.0005332800000000, -0.0008572800000000 ] - [ 0.0006296500000000, 0.0003877600000000, -0.0006943600000000 ] - [ 0.0000171200000000, -0.0009002400000000, 0.0003535000000000 ] - [ -0.0000145500000000, 0.0000991700000000, -0.0002608100000000 ] - [ -0.0001584900000000, 0.0008850500000000, -0.0006002000000000 ] - [ 0.0001641700000000, 0.0008614600000000, -0.0005928700000000 ] - [ -0.0006753100000000, 0.0003817900000000, 0.0004319100000000 ] - [ 0.0006126200000000, -0.0001585500000000, -0.0004157600000000 ] - [ 0.0006420000000000, -0.0005339200000000, -0.0006372400000000 ] - [ 0.0003146700000000, -0.0001873400000000, -0.0004395500000000 ] - [ -0.0005286200000000, 0.0002637400000000, -0.0005880600000000 ] - [ 0.0031497000000000, -0.0016794900000000, 0.0025104500000000 ] - [ -0.0001725100000000, 0.0003651000000000, -0.0006501400000000 ] - [ -0.0007424600000000, 0.0004615700000000, -0.0007856900000000 ] - [ 0.0002116800000000, -0.0008098900000000, -0.0009706900000000 ] - [ -0.0002914100000000, -0.0007763800000000, -0.0010943600000000 ] - [ -0.0000140900000000, -0.0000508600000000, -0.0002362200000000 ] - [ 0.0009618900000000, 0.0017774100000000, 0.0022137500000000 ] - [ -0.0019654700000000, 0.0011131800000000, -0.0014952900000000 ] - [ 0.0006108600000000, -0.0001294700000000, 0.0003663700000000 ] - [ -0.0039555300000000, 0.0046758400000000, -0.0015006400000000 ] - [ 0.0004192200000000, -0.0002479400000000, 0.0005108700000000 ] - [ 0.0011874900000000, 0.0006263600000000, -0.0008053700000000 ] - [ -0.0008375700000000, -0.0001188900000000, 0.0004232400000000 ] - [ -0.0004984800000000, -0.0002566100000000, 0.0005469100000000 ] - [ 0.0038436800000000, 0.0031139900000000, -0.0017489900000000 ] - [ 0.0004547600000000, 0.0003087800000000, 0.0002465500000000 ] - [ -0.0005762900000000, -0.0001316900000000, -0.0003857200000000 ] - [ -0.0003598900000000, -0.0001966500000000, -0.0004626200000000 ] - [ -0.0004931400000000, -0.0004965900000000, -0.0005254100000000 ] - [ -0.0151678500000000, 0.6569114400000000, 0.4652718000000000 ] - [ 0.0000576500000000, 0.0000360200000000, 0.0000055800000000 ] - [ 0.0002927500000000, -0.0017002800000000, -0.0008242500000000 ] - [ -0.0002663900000000, -0.0013835200000000, -0.0006285100000000 ] - [ -0.0000593400000000, 0.0011725500000000, -0.0008345700000000 ] - [ 0.0000580400000000, 0.0011342800000000, -0.0007660200000000 ] - [ 0.0000022500000000, 0.0001601000000000, -0.0001946600000000 ] - [ 0.0000007600000000, 0.0005460300000000, -0.0009602300000000 ] - [ -0.0005248200000000, -0.0001916300000000, -0.0009238900000000 ] - [ -0.0005503800000000, -0.0002811000000000, -0.0005061300000000 ] - [ -0.0005453600000000, -0.0004188300000000, -0.0004672300000000 ] - [ -0.0010079300000000, -0.0006169500000000, -0.0008474500000000 ] - [ 0.0006486100000000, -0.0003361200000000, -0.0005824800000000 ] - [ 0.0004407800000000, -0.0001467000000000, -0.0008264700000000 ] - [ 0.0004930100000000, -0.0003861000000000, -0.0004595600000000 ] - [ 0.0010719200000000, -0.0006522200000000, -0.0008662800000000 ] - [ 0.0029570400000000, 0.0017235100000000, -0.0027713900000000 ] - [ -0.0006417000000000, -0.0001039500000000, 0.0003054500000000 ] - [ -0.0006410000000000, -0.0005395600000000, 0.0006043200000000 ] - [ -0.0010568000000000, -0.0009074800000000, 0.0007103100000000 ] - [ -0.0008393100000000, 0.0027806200000000, -0.0013792500000000 ] - [ 0.0000290500000000, -0.0001157500000000, 0.0001307100000000 ] - [ 0.0000589500000000, -0.0012826100000000, 0.0007882000000000 ] - [ -0.0000602800000000, -0.0011854300000000, 0.0007618000000000 ] - [ 0.0031525100000000, -0.0009962000000000, -0.0023407100000000 ] - [ -0.0005775800000000, 0.0003051900000000, 0.0003971400000000 ] - [ -0.0005192100000000, 0.0003061900000000, 0.0009136600000000 ] - [ -0.0005821600000000, 0.0003367400000000, 0.0005071400000000 ] - [ 0.0008023200000000, -0.0001925100000000, 0.0003600300000000 ] - [ -0.0029648600000000, 0.0019284900000000, -0.0025229900000000 ] - [ 0.0004153500000000, -0.0004054000000000, 0.0004183400000000 ] - [ 0.0013202400000000, -0.0010456000000000, 0.0009183600000000 ] - [ 0.0000822100000000, 0.0013136400000000, 0.0007088800000000 ] - [ -0.0000237300000000, 0.0013701400000000, 0.0008673500000000 ] - [ -0.0000066000000000, 0.0000093800000000, 0.0000589900000000 ] - [ -0.0001684800000000, -0.0038839800000000, -0.0031337800000000 ] - [ 0.0034981200000000, -0.0050660300000000, 0.0009166200000000 ] - [ -0.0005467300000000, 0.0002971500000000, -0.0003468800000000 ] - [ 0.0030594800000000, -0.0021286000000000, 0.0025134500000000 ] - [ -0.0007108600000000, 0.0002091600000000, -0.0002803100000000 ] - [ -0.0030573800000000, -0.0022747300000000, 0.0011995400000000 ] - [ 0.0007991500000000, 0.0003420500000000, -0.0004770900000000 ] - [ 0.0008004900000000, 0.0001606600000000, -0.0003203900000000 ] - [ -0.0030753300000000, -0.0017622500000000, 0.0026040200000000 ] - [ -0.0046160100000000, -0.0010247300000000, -0.0032752500000000 ] - [ 0.0006295300000000, 0.0002911800000000, 0.0003652000000000 ] - [ 0.0006377300000000, 0.0003259400000000, 0.0005495100000000 ] - [ 0.0004308600000000, 0.0003428400000000, 0.0007954100000000 ] - [ -0.0008598900000000, -0.0006069900000000, -0.0007558400000000 ] - [ 0.0008525200000000, -0.0005866800000000, -0.0007248300000000 ] - [ 0.0000443300000000, 0.0000171900000000, -0.0000292900000000 ] - [ -0.0000392600000000, 0.0010086600000000, -0.0006277400000000 ] - [ -0.0011138600000000, -0.0006034800000000, 0.0009578900000000 ] - [ 0.0015681700000000, -0.0008578500000000, 0.0013341200000000 ] - [ 0.0000742700000000, 0.0000336600000000, 0.0000166600000000 ] - [ -0.0071331300000000, -0.0133249000000000, -0.0177425200000000 ] - [ 0.0053181400000000, -0.0330344200000000, -0.0179218600000000 ] - [ -0.0003119300000000, -0.0006938900000000, -0.0000590700000000 ] - [ -0.0021632800000000, 0.0021110500000000, -0.0021023100000000 ] - [ 0.0019565900000000, 0.0015821100000000, -0.0020576000000000 ] - [ -0.0018075500000000, -0.0019560700000000, 0.0020129300000000 ] - [ 0.0016537700000000, -0.0021025200000000, 0.0016095300000000 ] - [ 0.0001590000000000, 0.0009556600000000, 0.0000288500000000 ] - [ -0.0001558500000000, 0.0032407900000000, 0.0021159300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002543000000000, 0.0001506800000000, 0.0003588100000000 ] - [ 0.0003813900000000, 0.0001459800000000, -0.0004288800000000 ] - [ -0.0002124600000000, -0.0000411000000000, 0.0001170900000000 ] - [ -0.0001191100000000, 0.0000526900000000, 0.0002644600000000 ] - [ -0.0003813900000000, 0.0001459800000000, -0.0004288800000000 ] - [ 0.0002543000000000, 0.0001506800000000, 0.0003588100000000 ] - [ 0.0002124600000000, -0.0000411000000000, 0.0001170900000000 ] - [ 0.0001191100000000, 0.0000526900000000, 0.0002644600000000 ] - [ -0.0001461800000000, -0.0000603900000000, 0.0000184200000000 ] - [ 0.0001461800000000, -0.0000603900000000, 0.0000184200000000 ] - [ 0.0000000000000000, -0.0004130500000000, 0.0004440200000000 ] - [ 0.0000000000000000, 0.0000754500000000, 0.0001003300000000 ] - [ 0.0000000000000000, 0.5190200400000000, 0.4117728800000000 ] - [ 0.0000000000000000, 0.0005838000000000, 0.0006236100000000 ] - [ 0.0001160400000000, -0.0000889400000000, 0.0002818600000000 ] - [ -0.0001160400000000, -0.0000889400000000, 0.0002818600000000 ] - [ 0.0042092200000000, 0.0001332500000000, -0.0048552000000000 ] - [ 0.0001296300000000, 0.0000916000000000, -0.0002839400000000 ] - [ 0.0003599100000000, 0.0000959600000000, -0.0003066800000000 ] - [ 0.0000582700000000, 0.0000143200000000, -0.0002383100000000 ] - [ 0.0000000000000000, 0.0037938400000000, -0.0023853300000000 ] - [ 0.0000000000000000, 0.0004824900000000, -0.0005355100000000 ] - [ 0.0001362500000000, -0.0001074200000000, -0.0002759200000000 ] - [ -0.0001362500000000, -0.0001074200000000, -0.0002759200000000 ] - [ 0.0012429200000000, -0.0007635700000000, -0.0011871000000000 ] - [ -0.0000327400000000, -0.0001617000000000, -0.0003899500000000 ] - [ -0.0002775600000000, 0.0005040800000000, -0.0002775000000000 ] - [ 0.0003048600000000, -0.0001713400000000, -0.0004458800000000 ] - [ -0.0001296300000000, 0.0000916000000000, -0.0002839400000000 ] - [ -0.0042092200000000, 0.0001332500000000, -0.0048552000000000 ] - [ -0.0003599100000000, 0.0000959600000000, -0.0003066800000000 ] - [ -0.0000582700000000, 0.0000143200000000, -0.0002383100000000 ] - [ -0.0000794000000000, 0.0000089900000000, -0.0000445300000000 ] - [ 0.0000794000000000, 0.0000089900000000, -0.0000445300000000 ] - [ 0.0000000000000000, -0.0005048100000000, -0.0005212800000000 ] - [ 0.0000000000000000, -0.0033544700000000, -0.0007635900000000 ] - [ 0.0008394500000000, -0.0004937500000000, 0.0009164400000000 ] - [ 0.0001982300000000, -0.0002536600000000, 0.0005487200000000 ] - [ 0.0030780500000000, -0.0022554200000000, 0.0030311300000000 ] - [ 0.0001931800000000, -0.0001212700000000, 0.0003864200000000 ] - [ -0.0008394500000000, -0.0004937500000000, 0.0009164400000000 ] - [ -0.0001982300000000, -0.0002536600000000, 0.0005487200000000 ] - [ -0.0001931800000000, -0.0001212700000000, 0.0003864200000000 ] - [ -0.0030780500000000, -0.0022554200000000, 0.0030311300000000 ] - [ -0.0012429200000000, -0.0007635700000000, -0.0011871000000000 ] - [ 0.0000327400000000, -0.0001617000000000, -0.0003899500000000 ] - [ -0.0003048600000000, -0.0001713400000000, -0.0004458800000000 ] - [ 0.0002775600000000, 0.0005040800000000, -0.0002775000000000 ] - [ 0.0000000000000000, -0.5619858100000000, -0.4435975300000000 ] - [ 0.0000000000000000, -0.0008139200000000, -0.0005883600000000 ] - [ -0.0002012200000000, 0.0000300600000000, -0.0002526500000000 ] - [ 0.0002012200000000, 0.0000300600000000, -0.0002526500000000 ] - [ 0.0000896500000000, -0.0001196700000000, 0.0002452200000000 ] - [ -0.0000896500000000, -0.0001196700000000, 0.0002452200000000 ] - [ 0.0000000000000000, 0.0005908800000000, -0.0002917800000000 ] - [ 0.0000000000000000, -0.0003044300000000, 0.0007774500000000 ] - [ 0.0002275800000000, 0.0000080700000000, 0.0007677600000000 ] - [ -0.0002329800000000, -0.0001248900000000, -0.0000242700000000 ] - [ -0.0002133100000000, -0.0000424900000000, -0.0000362300000000 ] - [ 0.0001545800000000, 0.0000790000000000, 0.0002428600000000 ] - [ 0.0002329800000000, -0.0001248900000000, -0.0000242700000000 ] - [ -0.0002275800000000, 0.0000080700000000, 0.0007677600000000 ] - [ 0.0002133100000000, -0.0000424900000000, -0.0000362300000000 ] - [ -0.0001545800000000, 0.0000790000000000, 0.0002428600000000 ] - [ -0.0034363500000000, -0.0017028900000000, 0.0032039500000000 ] - [ -0.0000951800000000, -0.0002791900000000, 0.0003233900000000 ] - [ -0.0003997900000000, -0.0001808000000000, 0.0003244400000000 ] - [ 0.0000041800000000, 0.0002353800000000, 0.0001503000000000 ] - [ 0.0000000000000000, -0.0023702500000000, 0.0109501200000000 ] - [ 0.0000000000000000, -0.0006564800000000, 0.0003802300000000 ] - [ -0.0000070600000000, 0.0000882500000000, -0.0001151100000000 ] - [ 0.0000070600000000, 0.0000882500000000, -0.0001151100000000 ] - [ -0.0039403500000000, 0.0012442000000000, 0.0031514500000000 ] - [ -0.0001673500000000, 0.0001541200000000, 0.0001487500000000 ] - [ 0.0000958600000000, -0.0001843200000000, -0.0004229300000000 ] - [ -0.0003343000000000, 0.0001425800000000, 0.0001385800000000 ] - [ 0.0000951800000000, -0.0002791900000000, 0.0003233900000000 ] - [ 0.0034363500000000, -0.0017028900000000, 0.0032039500000000 ] - [ 0.0003997900000000, -0.0001808000000000, 0.0003244400000000 ] - [ -0.0000041800000000, 0.0002353800000000, 0.0001503000000000 ] - [ -0.0001616500000000, -0.0000985200000000, 0.0001391200000000 ] - [ 0.0001616500000000, -0.0000985200000000, 0.0001391200000000 ] - [ 0.0000000000000000, 0.0007382900000000, 0.0004968100000000 ] - [ 0.0000000000000000, 0.0043822000000000, 0.0030261500000000 ] - [ -0.0018778800000000, 0.0007719600000000, -0.0026611900000000 ] - [ -0.0003838600000000, 0.0002816700000000, -0.0004331600000000 ] - [ -0.0032721700000000, 0.0017859000000000, -0.0030472700000000 ] - [ -0.0002209200000000, 0.0002898600000000, -0.0004292800000000 ] - [ 0.0018778800000000, 0.0007719600000000, -0.0026611900000000 ] - [ 0.0003838600000000, 0.0002816700000000, -0.0004331600000000 ] - [ 0.0002209200000000, 0.0002898600000000, -0.0004292800000000 ] - [ 0.0032721700000000, 0.0017859000000000, -0.0030472700000000 ] - [ 0.0039403500000000, 0.0012442000000000, 0.0031514500000000 ] - [ 0.0001673500000000, 0.0001541200000000, 0.0001487500000000 ] - [ 0.0003343000000000, 0.0001425800000000, 0.0001385800000000 ] - [ -0.0000958600000000, -0.0001843200000000, -0.0004229300000000 ] - [ 0.0008002900000000, 0.0005447500000000, 0.0006875100000000 ] - [ -0.0008002900000000, 0.0005447500000000, 0.0006875100000000 ] - [ 0.0000000000000000, 0.0000006600000000, 0.0000822000000000 ] - [ 0.0000000000000000, -0.0023059600000000, 0.0012663400000000 ] - [ 0.0006063300000000, 0.0003500000000000, -0.0005173300000000 ] - [ -0.0006063300000000, 0.0003500000000000, -0.0005173300000000 ] - [ 0.0000000000000000, 0.0000084000000000, -0.0000984300000000 ] - [ 0.0000000000000000, 0.0210715900000000, 0.0011639100000000 ] - [ 0.0000000000000000, 0.0235497600000000, 0.0231606900000000 ] - [ 0.0000000000000000, 0.0003501100000000, 0.0005426500000000 ] - [ 0.0011339800000000, -0.0008953600000000, 0.0023043600000000 ] - [ -0.0011339800000000, -0.0008953600000000, 0.0023043600000000 ] - [ 0.0013823800000000, 0.0013172100000000, -0.0025055400000000 ] - [ -0.0013823800000000, 0.0013172100000000, -0.0025055400000000 ] - [ 0.0000000000000000, -0.0005044900000000, -0.0005823000000000 ] - [ 0.0000000000000000, -0.0021815600000000, -0.0025675900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002967600000000, 0.0001675300000000, 0.0004640100000000 ] - [ -0.0009529700000000, 0.0001803800000000, 0.0012711900000000 ] - [ -0.0003198700000000, 0.0003505900000000, 0.0006931700000000 ] - [ -0.0004220000000000, 0.0002595500000000, 0.0005472100000000 ] - [ 0.0009529700000000, 0.0001803800000000, 0.0012711900000000 ] - [ 0.0002967600000000, 0.0001675300000000, 0.0004640100000000 ] - [ 0.0003198700000000, 0.0003505900000000, 0.0006931700000000 ] - [ 0.0004220000000000, 0.0002595500000000, 0.0005472100000000 ] - [ 0.0001477100000000, -0.0005564500000000, 0.0007906500000000 ] - [ -0.0001477100000000, -0.0005564500000000, 0.0007906500000000 ] - [ 0.0000000000000000, -0.0002056600000000, 0.0003651900000000 ] - [ 0.0000000000000000, -0.0007165200000000, 0.0007266000000000 ] - [ 0.0000000000000000, -0.4963838200000000, -0.4049235300000000 ] - [ 0.0000000000000000, -0.0000201300000000, 0.0001485700000000 ] - [ -0.0001210100000000, 0.0007227100000000, 0.0005350700000000 ] - [ 0.0001210100000000, 0.0007227100000000, 0.0005350700000000 ] - [ -0.0036606600000000, 0.0001867900000000, 0.0040429400000000 ] - [ 0.0003741700000000, 0.0001978200000000, -0.0005007300000000 ] - [ 0.0001864700000000, 0.0002229400000000, -0.0005184000000000 ] - [ 0.0004965300000000, 0.0003078300000000, -0.0005894400000000 ] - [ 0.0000000000000000, -0.0031335000000000, 0.0015318300000000 ] - [ 0.0000000000000000, 0.0001313300000000, -0.0002736200000000 ] - [ -0.0001391200000000, 0.0007202300000000, -0.0005268700000000 ] - [ 0.0001391200000000, 0.0007202300000000, -0.0005268700000000 ] - [ -0.0007081100000000, 0.0004523700000000, 0.0003756100000000 ] - [ 0.0005693300000000, -0.0001457900000000, -0.0004171200000000 ] - [ 0.0008440600000000, -0.0008338800000000, -0.0005584800000000 ] - [ 0.0002420500000000, -0.0001437800000000, -0.0003728100000000 ] - [ -0.0003741700000000, 0.0001978200000000, -0.0005007300000000 ] - [ 0.0036606600000000, 0.0001867900000000, 0.0040429400000000 ] - [ -0.0001864700000000, 0.0002229400000000, -0.0005184000000000 ] - [ -0.0004965300000000, 0.0003078300000000, -0.0005894400000000 ] - [ 0.0000808100000000, -0.0006441700000000, -0.0007797900000000 ] - [ -0.0000808100000000, -0.0006441700000000, -0.0007797900000000 ] - [ 0.0000000000000000, -0.0000544400000000, -0.0002466600000000 ] - [ 0.0000000000000000, 0.0027234500000000, -0.0000325600000000 ] - [ -0.0003054500000000, 0.0001809700000000, -0.0001090200000000 ] - [ 0.0003503300000000, -0.0000599700000000, 0.0002698200000000 ] - [ -0.0025229200000000, 0.0019460000000000, -0.0021924800000000 ] - [ 0.0003073800000000, -0.0001664500000000, 0.0003924600000000 ] - [ 0.0003054500000000, 0.0001809700000000, -0.0001090200000000 ] - [ -0.0003503300000000, -0.0000599700000000, 0.0002698200000000 ] - [ -0.0003073800000000, -0.0001664500000000, 0.0003924600000000 ] - [ 0.0025229200000000, 0.0019460000000000, -0.0021924800000000 ] - [ 0.0007081100000000, 0.0004523700000000, 0.0003756100000000 ] - [ -0.0005693300000000, -0.0001457900000000, -0.0004171200000000 ] - [ -0.0002420500000000, -0.0001437800000000, -0.0003728100000000 ] - [ -0.0008440600000000, -0.0008338800000000, -0.0005584800000000 ] - [ 0.0000000000000000, 0.5399204800000000, 0.4376587000000000 ] - [ 0.0000000000000000, -0.0001127900000000, -0.0000245400000000 ] - [ 0.0001983600000000, -0.0009492700000000, -0.0003576000000000 ] - [ -0.0001983600000000, -0.0009492700000000, -0.0003576000000000 ] - [ -0.0000887300000000, 0.0010509700000000, -0.0008695300000000 ] - [ 0.0000887300000000, 0.0010509700000000, -0.0008695300000000 ] - [ 0.0000000000000000, 0.0003271400000000, -0.0003210900000000 ] - [ 0.0000000000000000, 0.0012283400000000, -0.0013971900000000 ] - [ -0.0010301600000000, -0.0004732100000000, -0.0013895400000000 ] - [ -0.0005657500000000, -0.0003383900000000, -0.0005935200000000 ] - [ -0.0006010400000000, -0.0004261100000000, -0.0005920700000000 ] - [ -0.0009685400000000, -0.0005482900000000, -0.0008706400000000 ] - [ 0.0005657500000000, -0.0003383900000000, -0.0005935200000000 ] - [ 0.0010301600000000, -0.0004732100000000, -0.0013895400000000 ] - [ 0.0006010400000000, -0.0004261100000000, -0.0005920700000000 ] - [ 0.0009685400000000, -0.0005482900000000, -0.0008706400000000 ] - [ 0.0026692300000000, 0.0012626600000000, -0.0026192500000000 ] - [ -0.0007170000000000, -0.0001925600000000, 0.0002994800000000 ] - [ -0.0004025700000000, -0.0002839700000000, 0.0002909800000000 ] - [ -0.0008108500000000, -0.0007018800000000, 0.0004722100000000 ] - [ 0.0000000000000000, 0.0014234500000000, -0.0104975000000000 ] - [ 0.0000000000000000, -0.0002569600000000, 0.0002301300000000 ] - [ 0.0000060300000000, -0.0010231900000000, 0.0007411100000000 ] - [ -0.0000060300000000, -0.0010231900000000, 0.0007411100000000 ] - [ 0.0031418200000000, -0.0007787800000000, -0.0025426600000000 ] - [ -0.0006436900000000, 0.0003142600000000, 0.0004783700000000 ] - [ -0.0009025300000000, 0.0006502000000000, 0.0010477500000000 ] - [ -0.0004680200000000, 0.0003227100000000, 0.0004817300000000 ] - [ 0.0007170000000000, -0.0001925600000000, 0.0002994800000000 ] - [ -0.0026692300000000, 0.0012626600000000, -0.0026192500000000 ] - [ 0.0004025700000000, -0.0002839700000000, 0.0002909800000000 ] - [ 0.0008108500000000, -0.0007018800000000, 0.0004722100000000 ] - [ 0.0001597400000000, 0.0010214900000000, 0.0004712500000000 ] - [ -0.0001597400000000, 0.0010214900000000, 0.0004712500000000 ] - [ 0.0000000000000000, 0.0001907600000000, 0.0001162200000000 ] - [ 0.0000000000000000, -0.0035037800000000, -0.0024507200000000 ] - [ 0.0011101300000000, -0.0003388000000000, 0.0020471200000000 ] - [ -0.0004184000000000, 0.0001829500000000, -0.0001832700000000 ] - [ 0.0025043500000000, -0.0013470200000000, 0.0024614500000000 ] - [ -0.0005927800000000, 0.0001820700000000, -0.0001933700000000 ] - [ -0.0011101300000000, -0.0003388000000000, 0.0020471200000000 ] - [ 0.0004184000000000, 0.0001829500000000, -0.0001832700000000 ] - [ 0.0005927800000000, 0.0001820700000000, -0.0001933700000000 ] - [ -0.0025043500000000, -0.0013470200000000, 0.0024614500000000 ] - [ -0.0031418200000000, -0.0007787800000000, -0.0025426600000000 ] - [ 0.0006436900000000, 0.0003142600000000, 0.0004783700000000 ] - [ 0.0004680200000000, 0.0003227100000000, 0.0004817300000000 ] - [ 0.0009025300000000, 0.0006502000000000, 0.0010477500000000 ] - [ -0.0008041100000000, -0.0005471400000000, -0.0006912900000000 ] - [ 0.0008041100000000, -0.0005471400000000, -0.0006912900000000 ] - [ 0.0000000000000000, -0.0000007200000000, -0.0000834000000000 ] - [ 0.0000000000000000, 0.0023123300000000, -0.0012637800000000 ] - [ -0.0006173300000000, -0.0003574500000000, 0.0005296100000000 ] - [ 0.0006173300000000, -0.0003574500000000, 0.0005296100000000 ] - [ 0.0000000000000000, -0.0000083300000000, 0.0000974700000000 ] - [ 0.0000000000000000, -0.0209811700000000, -0.0014218800000000 ] - [ 0.0000000000000000, -0.0244580500000000, -0.0234247100000000 ] - [ 0.0000000000000000, -0.0003496300000000, -0.0005444100000000 ] - [ -0.0011571400000000, 0.0009145500000000, -0.0023171900000000 ] - [ 0.0011571400000000, 0.0009145500000000, -0.0023171900000000 ] - [ -0.0014067600000000, -0.0013431200000000, 0.0025212800000000 ] - [ 0.0014067600000000, -0.0013431200000000, 0.0025212800000000 ] - [ 0.0000000000000000, 0.0005134500000000, 0.0005690100000000 ] - [ 0.0000000000000000, 0.0022189200000000, 0.0025831500000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003093800000000, 0.0003933200000000, 0.0003132300000000 ] - [ -0.0002871000000000, -0.0000231100000000, 0.0005154600000000 ] - [ 0.0785473200000000, -0.0135603000000000, -0.0202515900000000 ] - [ -0.0012250400000000, 0.0004945300000000, 0.0008984900000000 ] - [ 0.0003081800000000, -0.0000374400000000, 0.0005575600000000 ] - [ 0.0003157300000000, 0.0003707800000000, 0.0003429700000000 ] - [ -0.0006079000000000, -0.0001379700000000, -0.0000281000000000 ] - [ 0.0763838500000000, 0.0128353600000000, 0.0195689900000000 ] - [ 0.0546086700000000, -0.0002823500000000, 0.0003920900000000 ] - [ -0.0003267600000000, -0.0003565500000000, 0.0004359500000000 ] - [ 0.0000016600000000, 0.0005105700000000, -0.0001660500000000 ] - [ 0.0000013500000000, -0.0011775300000000, 0.0010031600000000 ] - [ -0.0000045800000000, -0.0000562200000000, 0.0001569700000000 ] - [ -0.0000084200000000, 0.0007109800000000, 0.0006719500000000 ] - [ -0.0001805200000000, 0.0003539400000000, 0.0004380500000000 ] - [ 0.0003995500000000, 0.0003528200000000, 0.0004317500000000 ] - [ 0.0002833700000000, 0.0000627200000000, -0.0004708500000000 ] - [ 0.0002965700000000, 0.0002741500000000, -0.0003756700000000 ] - [ -0.0001266900000000, 0.0000362100000000, -0.0002304000000000 ] - [ 0.0014494200000000, 0.0006075200000000, -0.0009753900000000 ] - [ 0.0000016500000000, -0.0005105700000000, 0.0001660500000000 ] - [ 0.0000013500000000, 0.0011775300000000, -0.0010031600000000 ] - [ -0.0003267600000000, 0.0003565500000000, -0.0004359500000000 ] - [ 0.0546086700000000, 0.0002823500000000, -0.0003920900000000 ] - [ -0.0006079000000000, 0.0001379700000000, 0.0000281000000000 ] - [ 0.0763838500000000, -0.0128353600000000, -0.0195689900000000 ] - [ 0.0003157300000000, -0.0003707800000000, -0.0003429700000000 ] - [ 0.0003081800000000, 0.0000374400000000, -0.0005575600000000 ] - [ -0.0003053300000000, 0.0002786900000000, -0.0003727400000000 ] - [ -0.0002866000000000, 0.0000599700000000, -0.0004662800000000 ] - [ 0.0008652500000000, -0.0002673900000000, 0.0001292200000000 ] - [ -0.0007416200000000, 0.0003183100000000, -0.0006458300000000 ] - [ 0.0003995500000000, -0.0003528200000000, -0.0004317500000000 ] - [ -0.0001805200000000, -0.0003539400000000, -0.0004380500000000 ] - [ -0.0000045800000000, 0.0000562200000000, -0.0001569700000000 ] - [ -0.0000084200000000, -0.0007109800000000, -0.0006719500000000 ] - [ -0.0001266900000000, -0.0000362100000000, 0.0002304000000000 ] - [ 0.0014494200000000, -0.0006075200000000, 0.0009753900000000 ] - [ 0.0002965700000000, -0.0002741500000000, 0.0003756700000000 ] - [ 0.0002833700000000, -0.0000627200000000, 0.0004708500000000 ] - [ 0.0008652500000000, 0.0002673900000000, -0.0001292200000000 ] - [ -0.0007416200000000, -0.0003183100000000, 0.0006458300000000 ] - [ -0.0002866000000000, -0.0000599700000000, 0.0004662800000000 ] - [ -0.0003053300000000, -0.0002786900000000, 0.0003727400000000 ] - [ 0.0785473200000000, 0.0135603000000000, 0.0202515900000000 ] - [ -0.0012250400000000, -0.0004945300000000, -0.0008984900000000 ] - [ -0.0002871000000000, 0.0000231100000000, -0.0005154600000000 ] - [ -0.0003093800000000, -0.0003933200000000, -0.0003132300000000 ] - [ -0.0000067400000000, 0.0005178500000000, 0.0004863200000000 ] - [ -0.0000105600000000, -0.0014474100000000, -0.0011172400000000 ] - [ 0.0000876600000000, -0.0004752400000000, -0.0003182500000000 ] - [ -0.0000778300000000, -0.0004729500000000, -0.0003334500000000 ] - [ -0.0144322600000000, 0.0003939300000000, -0.0002576400000000 ] - [ 0.0001470200000000, 0.0004844900000000, -0.0003274200000000 ] - [ 0.0004561400000000, -0.0010814100000000, 0.0002962500000000 ] - [ 0.0004509000000000, 0.0020033000000000, -0.0009279900000000 ] - [ -0.0004599200000000, -0.0002778100000000, -0.0003279700000000 ] - [ -0.0004049600000000, -0.0003180100000000, -0.0003153800000000 ] - [ 0.0011091200000000, 0.0001202100000000, 0.0002856200000000 ] - [ 0.0073318900000000, 0.0124331500000000, 0.0176103900000000 ] - [ 0.0003917500000000, -0.0002234300000000, -0.0003289200000000 ] - [ 0.0004220700000000, -0.0001584900000000, -0.0003321600000000 ] - [ 0.0083720900000000, -0.0133000200000000, -0.0188142200000000 ] - [ 0.0019387100000000, -0.0006053100000000, -0.0009377100000000 ] - [ -0.0003246600000000, -0.0002016200000000, 0.0002625400000000 ] - [ -0.0004033400000000, -0.0002852200000000, 0.0003234100000000 ] - [ 0.0005236400000000, 0.0003262900000000, -0.0005580400000000 ] - [ -0.0012817700000000, -0.0006946000000000, 0.0023042900000000 ] - [ 0.0004561400000000, 0.0010814100000000, -0.0002962500000000 ] - [ 0.0004509000000000, -0.0020033000000000, 0.0009279900000000 ] - [ 0.0001470200000000, -0.0004844900000000, 0.0003274200000000 ] - [ -0.0144322600000000, -0.0003939300000000, 0.0002576400000000 ] - [ 0.0011091200000000, -0.0001202100000000, -0.0002856200000000 ] - [ 0.0073318900000000, -0.0124331500000000, -0.0176103900000000 ] - [ -0.0004049600000000, 0.0003180100000000, 0.0003153800000000 ] - [ -0.0004599200000000, 0.0002778100000000, 0.0003279700000000 ] - [ 0.0005166700000000, -0.0002824500000000, 0.0004062700000000 ] - [ 0.0004166200000000, -0.0001919100000000, 0.0003236400000000 ] - [ -0.0004810100000000, 0.0002345400000000, -0.0016945500000000 ] - [ 0.0013360300000000, -0.0007974300000000, 0.0011891000000000 ] - [ -0.0000778300000000, 0.0004729500000000, 0.0003334500000000 ] - [ 0.0000876600000000, 0.0004752400000000, 0.0003182500000000 ] - [ -0.0000067400000000, -0.0005178500000000, -0.0004863200000000 ] - [ -0.0000105600000000, 0.0014474100000000, 0.0011172400000000 ] - [ 0.0005236400000000, -0.0003262900000000, 0.0005580400000000 ] - [ -0.0012817700000000, 0.0006946000000000, -0.0023042900000000 ] - [ -0.0004033400000000, 0.0002852200000000, -0.0003234100000000 ] - [ -0.0003246600000000, 0.0002016200000000, -0.0002625400000000 ] - [ -0.0004810100000000, -0.0002345400000000, 0.0016945500000000 ] - [ 0.0013360300000000, 0.0007974300000000, -0.0011891000000000 ] - [ 0.0004166200000000, 0.0001919100000000, -0.0003236400000000 ] - [ 0.0005166700000000, 0.0002824500000000, -0.0004062700000000 ] - [ 0.0083720900000000, 0.0133000200000000, 0.0188142200000000 ] - [ 0.0019387100000000, 0.0006053100000000, 0.0009377100000000 ] - [ 0.0004220700000000, 0.0001584900000000, 0.0003321600000000 ] - [ 0.0003917500000000, 0.0002234300000000, 0.0003289200000000 ] - [ -0.4043016900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0016941700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000534800000000, -0.0010088900000000, 0.0007077700000000 ] - [ -0.0000534800000000, 0.0010088900000000, -0.0007077700000000 ] - [ -0.0023955100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009641000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000162200000000, -0.0005477800000000, -0.0003146200000000 ] - [ 0.0000162200000000, 0.0005477800000000, 0.0003146200000000 ] - [ -0.0059220500000000, -0.0030426600000000, -0.0055344300000000 ] - [ -0.0058614300000000, 0.0030125800000000, 0.0054754600000000 ] - [ -0.0001834200000000, 0.0000072900000000, -0.0000016600000000 ] - [ -0.0006446200000000, -0.0000702900000000, 0.0000575400000000 ] - [ -0.0006446200000000, 0.0000702900000000, -0.0000575400000000 ] - [ -0.0001834200000000, -0.0000072900000000, 0.0000016600000000 ] - [ -0.0059220500000000, 0.0030426600000000, 0.0055344300000000 ] - [ -0.0058614300000000, -0.0030125800000000, -0.0054754600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009154700000000, 0.0003818300000000, 0.0010879000000000 ] - [ -0.0002511800000000, 0.0001450200000000, 0.0006830400000000 ] - [ -0.0192438900000000, 0.0111104700000000, 0.0699166700000000 ] - [ -0.0007884100000000, 0.0006019000000000, 0.0010879000000000 ] - [ 0.0009154700000000, 0.0003818300000000, 0.0010879000000000 ] - [ 0.0002511800000000, 0.0001450200000000, 0.0006830400000000 ] - [ 0.0007884100000000, 0.0006019000000000, 0.0010879000000000 ] - [ 0.0192438900000000, 0.0111104700000000, 0.0699166700000000 ] - [ 0.0000000000000000, -0.0222209300000000, 0.0699166700000000 ] - [ 0.0000000000000000, -0.0002900400000000, 0.0006830400000000 ] - [ -0.0001270600000000, -0.0009837400000000, 0.0010879000000000 ] - [ 0.0001270600000000, -0.0009837400000000, 0.0010879000000000 ] - [ 0.0000521200000000, 0.0001230400000000, 0.0001659100000000 ] - [ -0.0000521200000000, 0.0001230400000000, 0.0001659100000000 ] - [ 0.0000000000000000, 0.0004029400000000, 0.0003038100000000 ] - [ 0.0000000000000000, -0.0001916400000000, -0.0004104000000000 ] - [ 0.0005837900000000, 0.0002787000000000, -0.0007506200000000 ] - [ 0.0003194100000000, 0.0001844100000000, -0.0006171100000000 ] - [ 0.0005332600000000, 0.0003662300000000, -0.0007506200000000 ] - [ 0.0008141800000000, 0.0004700700000000, -0.0013123500000000 ] - [ 0.0001275300000000, -0.0002410100000000, 0.0001852500000000 ] - [ -0.0001275300000000, -0.0002410100000000, 0.0001852500000000 ] - [ 0.0000000000000000, 0.0004532400000000, -0.0002198400000000 ] - [ 0.0000000000000000, -0.0228746000000000, 0.0707465000000000 ] - [ -0.0001449600000000, 0.0002309500000000, 0.0001852500000000 ] - [ -0.0198099900000000, 0.0114373000000000, 0.0707465000000000 ] - [ 0.0003925200000000, -0.0002266200000000, -0.0002198400000000 ] - [ -0.0002724800000000, 0.0000100600000000, 0.0001852500000000 ] - [ -0.0005837900000000, 0.0002787000000000, -0.0007506200000000 ] - [ -0.0003194100000000, 0.0001844100000000, -0.0006171100000000 ] - [ -0.0008141800000000, 0.0004700700000000, -0.0013123500000000 ] - [ -0.0005332600000000, 0.0003662300000000, -0.0007506200000000 ] - [ 0.0000000000000000, -0.0009401300000000, -0.0013123500000000 ] - [ 0.0000000000000000, -0.0003688200000000, -0.0006171100000000 ] - [ -0.0000505300000000, -0.0006449300000000, -0.0007506200000000 ] - [ 0.0000505300000000, -0.0006449300000000, -0.0007506200000000 ] - [ 0.0001326100000000, -0.0000163800000000, 0.0001659100000000 ] - [ -0.0001659600000000, 0.0000958200000000, -0.0004104000000000 ] - [ 0.0003489600000000, -0.0002014700000000, 0.0003038100000000 ] - [ 0.0000805000000000, -0.0001066600000000, 0.0001659100000000 ] - [ 0.0001659600000000, 0.0000958200000000, -0.0004104000000000 ] - [ -0.0001326100000000, -0.0000163800000000, 0.0001659100000000 ] - [ -0.0003489600000000, -0.0002014700000000, 0.0003038100000000 ] - [ -0.0000805000000000, -0.0001066600000000, 0.0001659100000000 ] - [ 0.0198099900000000, 0.0114373000000000, 0.0707465000000000 ] - [ 0.0001449600000000, 0.0002309500000000, 0.0001852500000000 ] - [ -0.0003925200000000, -0.0002266200000000, -0.0002198400000000 ] - [ 0.0002724800000000, 0.0000100600000000, 0.0001852500000000 ] - [ -0.0000294500000000, 0.0004182400000000, 0.0004034700000000 ] - [ 0.0000294500000000, 0.0004182400000000, 0.0004034700000000 ] - [ 0.0000000000000000, -0.0004038600000000, -0.0002051700000000 ] - [ 0.0000000000000000, 0.0002853500000000, 0.0009745600000000 ] - [ 0.0000000000000000, -0.0198621900000000, 0.0010130800000000 ] - [ 0.0000000000000000, 0.0004461200000000, -0.0003737900000000 ] - [ -0.0003761600000000, 0.0017483600000000, -0.0008019700000000 ] - [ 0.0003761600000000, 0.0017483600000000, -0.0008019700000000 ] - [ -0.0013260400000000, -0.0011999500000000, -0.0008019700000000 ] - [ -0.0003863500000000, -0.0002230600000000, -0.0003737900000000 ] - [ -0.0017022100000000, -0.0005484100000000, -0.0008019700000000 ] - [ 0.0172011600000000, 0.0099311000000000, 0.0010130800000000 ] - [ 0.0013260400000000, -0.0011999500000000, -0.0008019700000000 ] - [ 0.0003863500000000, -0.0002230600000000, -0.0003737900000000 ] - [ -0.0172011600000000, 0.0099311000000000, 0.0010130800000000 ] - [ 0.0017022100000000, -0.0005484100000000, -0.0008019700000000 ] - [ -0.0011269400000000, -0.0006138200000000, 0.0009752600000000 ] - [ -0.0004044300000000, -0.0002335000000000, 0.0003649600000000 ] - [ -0.0010950500000000, -0.0006690400000000, 0.0009752600000000 ] - [ -0.0009998700000000, -0.0005772800000000, 0.0015588300000000 ] - [ 0.0003791800000000, 0.0008898600000000, -0.0002426200000000 ] - [ -0.0003791800000000, 0.0008898600000000, -0.0002426200000000 ] - [ 0.0000000000000000, -0.0004082200000000, 0.0001807600000000 ] - [ 0.0000000000000000, -0.0212276000000000, 0.0015744300000000 ] - [ 0.0009602300000000, -0.0001165500000000, -0.0002426200000000 ] - [ -0.0183836400000000, 0.0106138000000000, 0.0015744300000000 ] - [ -0.0003535300000000, 0.0002041100000000, 0.0001807600000000 ] - [ 0.0005810500000000, -0.0007733100000000, -0.0002426200000000 ] - [ 0.0011269400000000, -0.0006138200000000, 0.0009752600000000 ] - [ 0.0004044300000000, -0.0002335000000000, 0.0003649600000000 ] - [ 0.0009998700000000, -0.0005772800000000, 0.0015588300000000 ] - [ 0.0010950500000000, -0.0006690400000000, 0.0009752600000000 ] - [ 0.0000000000000000, 0.0011545500000000, 0.0015588300000000 ] - [ 0.0000000000000000, 0.0004670000000000, 0.0003649600000000 ] - [ 0.0000318800000000, 0.0012828700000000, 0.0009752600000000 ] - [ -0.0000318800000000, 0.0012828700000000, 0.0009752600000000 ] - [ 0.0003474800000000, -0.0002346200000000, 0.0004034700000000 ] - [ 0.0002471200000000, -0.0001426800000000, 0.0009745600000000 ] - [ -0.0003497500000000, 0.0002019300000000, -0.0002051700000000 ] - [ 0.0003769300000000, -0.0001836200000000, 0.0004034700000000 ] - [ -0.0002471200000000, -0.0001426800000000, 0.0009745600000000 ] - [ -0.0003474800000000, -0.0002346200000000, 0.0004034700000000 ] - [ 0.0003497500000000, 0.0002019300000000, -0.0002051700000000 ] - [ -0.0003769300000000, -0.0001836200000000, 0.0004034700000000 ] - [ 0.0183836400000000, 0.0106138000000000, 0.0015744300000000 ] - [ -0.0009602300000000, -0.0001165500000000, -0.0002426200000000 ] - [ 0.0003535300000000, 0.0002041100000000, 0.0001807600000000 ] - [ -0.0005810500000000, -0.0007733100000000, -0.0002426200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4093939600000000 ] - [ 0.0000000000000000, -0.0008175800000000, -0.0012633500000000 ] - [ 0.0007080500000000, 0.0004087900000000, -0.0012633500000000 ] - [ -0.0007080500000000, 0.0004087900000000, -0.0012633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020382600000000 ] - [ 0.0000000000000000, -0.0003617000000000, 0.0006362200000000 ] - [ 0.0003132400000000, 0.0001808500000000, 0.0006362200000000 ] - [ -0.0003132400000000, 0.0001808500000000, 0.0006362200000000 ] - [ -0.0042446400000000, -0.0024506400000000, -0.0049303000000000 ] - [ 0.0042446400000000, -0.0024506400000000, -0.0049303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000223100000000 ] - [ 0.0000000000000000, 0.0049012900000000, -0.0049303000000000 ] - [ 0.0000000000000000, 0.0048975400000000, -0.0048950500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213900000000 ] - [ 0.0042414000000000, -0.0024487700000000, -0.0048950500000000 ] - [ -0.0042414000000000, -0.0024487700000000, -0.0048950500000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002418200000000, -0.0001390300000000, 0.0000721700000000 ] - [ -0.0009631400000000, 0.0005346100000000, 0.0008570100000000 ] - [ -0.0016091000000000, 0.0017742000000000, 0.0026619000000000 ] - [ 0.0008520400000000, -0.0004439900000000, -0.0004279200000000 ] - [ -0.0003366500000000, -0.0001781600000000, 0.0000356700000000 ] - [ 0.0008424800000000, 0.0004882100000000, 0.0007914500000000 ] - [ -0.0009658400000000, -0.0014049600000000, -0.0017665600000000 ] - [ 0.0014940000000000, 0.0008130000000000, 0.0013236400000000 ] - [ 0.0007157000000000, -0.0015294400000000, 0.0022455900000000 ] - [ 0.0007169400000000, 0.0008067600000000, -0.0013621900000000 ] - [ -0.0000008800000000, -0.0003432100000000, 0.0004279900000000 ] - [ 0.0000840000000000, -0.0003475300000000, 0.0004322400000000 ] - [ -0.0006503000000000, 0.0003564100000000, 0.0004342600000000 ] - [ 0.0001448800000000, 0.0003443500000000, 0.0004281600000000 ] - [ 0.0007408500000000, -0.0018186700000000, -0.0000386100000000 ] - [ 0.0007393500000000, 0.0025384600000000, 0.0009264300000000 ] - [ -0.0003366500000000, -0.0001781600000000, -0.0000356700000000 ] - [ 0.0008424800000000, 0.0004882100000000, -0.0007914500000000 ] - [ -0.0009658400000000, -0.0014049600000000, 0.0017665600000000 ] - [ 0.0014940000000000, 0.0008130000000000, -0.0013236400000000 ] - [ -0.0006503000000000, 0.0003564100000000, -0.0004342600000000 ] - [ 0.0001448800000000, 0.0003443500000000, -0.0004281600000000 ] - [ 0.0007408500000000, -0.0018186700000000, 0.0000386100000000 ] - [ 0.0007393500000000, 0.0025384600000000, -0.0009264300000000 ] - [ 0.0100623900000000, -0.0061912300000000, -0.0095592500000000 ] - [ 0.0028181300000000, -0.0006567300000000, -0.0010976500000000 ] - [ 0.0004526500000000, -0.0003826700000000, -0.0006044100000000 ] - [ 0.0000454600000000, 0.0000562900000000, -0.0001978700000000 ] - [ 0.0002418200000000, -0.0001390300000000, -0.0000721700000000 ] - [ -0.0009631400000000, 0.0005346100000000, -0.0008570100000000 ] - [ -0.0016091000000000, 0.0017742000000000, -0.0026619000000000 ] - [ 0.0008520400000000, -0.0004439900000000, 0.0004279200000000 ] - [ 0.0007157000000000, -0.0015294400000000, -0.0022455900000000 ] - [ 0.0007169400000000, 0.0008067600000000, 0.0013621900000000 ] - [ -0.0000008800000000, -0.0003432100000000, -0.0004279900000000 ] - [ 0.0000840000000000, -0.0003475300000000, -0.0004322400000000 ] - [ 0.0100623900000000, -0.0061912300000000, 0.0095592500000000 ] - [ 0.0028181300000000, -0.0006567300000000, 0.0010976500000000 ] - [ 0.0004526500000000, -0.0003826700000000, 0.0006044100000000 ] - [ 0.0000454600000000, 0.0000562900000000, 0.0001978700000000 ] - [ 0.0092161300000000, 0.0056912100000000, -0.0084639600000000 ] - [ 0.0021729100000000, 0.0002825300000000, -0.0001924800000000 ] - [ -0.0005571600000000, -0.0004066200000000, 0.0006667900000000 ] - [ -0.0001752600000000, 0.0000099700000000, 0.0002760800000000 ] - [ 0.0092161300000000, 0.0056912100000000, 0.0084639600000000 ] - [ 0.0021729100000000, 0.0002825300000000, 0.0001924800000000 ] - [ -0.0005571600000000, -0.0004066200000000, -0.0006667900000000 ] - [ -0.0001752600000000, 0.0000099700000000, -0.0002760800000000 ] - [ 0.0108528400000000, -0.0004586800000000, -0.0003250600000000 ] - [ -0.0006175200000000, -0.0004700100000000, -0.0003182700000000 ] - [ -0.0002057000000000, 0.0019059600000000, 0.0008403800000000 ] - [ -0.0002046400000000, -0.0028201900000000, -0.0014471600000000 ] - [ -0.0001551700000000, 0.0024348900000000, -0.0016963700000000 ] - [ -0.0001509200000000, -0.0015207300000000, 0.0010933200000000 ] - [ 0.0003076600000000, 0.0004677800000000, -0.0003161000000000 ] - [ -0.0003114300000000, 0.0004759900000000, -0.0003189300000000 ] - [ 0.0003774800000000, 0.0004533700000000, 0.0001425300000000 ] - [ -0.0011549400000000, -0.0008457700000000, -0.0007647600000000 ] - [ 0.0022375300000000, 0.0012330600000000, 0.0015530600000000 ] - [ -0.0032589600000000, -0.0017017400000000, -0.0022132300000000 ] - [ -0.0003348700000000, 0.0003700500000000, 0.0001260800000000 ] - [ 0.0012202200000000, -0.0009347100000000, -0.0007883000000000 ] - [ 0.0030369500000000, -0.0016983100000000, -0.0021701500000000 ] - [ -0.0024661100000000, 0.0012427900000000, 0.0016032500000000 ] - [ 0.0003774800000000, 0.0004533700000000, -0.0001425300000000 ] - [ -0.0011549400000000, -0.0008457700000000, 0.0007647600000000 ] - [ 0.0022375300000000, 0.0012330600000000, -0.0015530600000000 ] - [ -0.0032589600000000, -0.0017017400000000, 0.0022132300000000 ] - [ 0.0108528400000000, -0.0004586800000000, 0.0003250600000000 ] - [ -0.0006175200000000, -0.0004700100000000, 0.0003182700000000 ] - [ -0.0002057000000000, 0.0019059600000000, -0.0008403800000000 ] - [ -0.0002046400000000, -0.0028201900000000, 0.0014471600000000 ] - [ 0.0309545600000000, -0.0116809400000000, -0.0209574300000000 ] - [ -0.0033009300000000, 0.0012623800000000, 0.0016784500000000 ] - [ -0.0008154000000000, 0.0008793100000000, 0.0005445500000000 ] - [ 0.0000323600000000, -0.0003763800000000, 0.0000115800000000 ] - [ -0.0003348700000000, 0.0003700500000000, -0.0001260800000000 ] - [ 0.0012202200000000, -0.0009347100000000, 0.0007883000000000 ] - [ 0.0030369500000000, -0.0016983100000000, 0.0021701500000000 ] - [ -0.0024661100000000, 0.0012427900000000, -0.0016032500000000 ] - [ -0.0001551700000000, 0.0024348900000000, 0.0016963700000000 ] - [ -0.0001509200000000, -0.0015207300000000, -0.0010933200000000 ] - [ 0.0003076600000000, 0.0004677800000000, 0.0003161000000000 ] - [ -0.0003114300000000, 0.0004759900000000, 0.0003189300000000 ] - [ 0.0309545600000000, -0.0116809400000000, 0.0209574300000000 ] - [ -0.0033009300000000, 0.0012623800000000, -0.0016784500000000 ] - [ -0.0008154000000000, 0.0008793100000000, -0.0005445500000000 ] - [ 0.0000323600000000, -0.0003763800000000, -0.0000115800000000 ] - [ 0.0310835700000000, 0.0116085900000000, -0.0206339200000000 ] - [ -0.0024974600000000, -0.0007925700000000, 0.0010563500000000 ] - [ 0.0008490700000000, 0.0008448800000000, -0.0006256200000000 ] - [ 0.0000241500000000, -0.0003957100000000, -0.0001002700000000 ] - [ 0.0310835700000000, 0.0116085900000000, 0.0206339200000000 ] - [ -0.0024974600000000, -0.0007925700000000, -0.0010563500000000 ] - [ 0.0008490700000000, 0.0008448800000000, 0.0006256200000000 ] - [ 0.0000241500000000, -0.0003957100000000, 0.0001002700000000 ] - [ -0.0058772200000000, -0.0030184000000000, -0.0042270300000000 ] - [ -0.0059092300000000, 0.0030419000000000, 0.0042658200000000 ] - [ -0.0001831800000000, -0.0000001000000000, 0.0000010700000000 ] - [ -0.0006450300000000, 0.0000249100000000, -0.0000175000000000 ] - [ -0.0058772200000000, -0.0030184000000000, 0.0042270300000000 ] - [ -0.0059092300000000, 0.0030419000000000, -0.0042658200000000 ] - [ -0.0001831800000000, -0.0000001000000000, -0.0000010700000000 ] - [ -0.0006450300000000, 0.0000249100000000, 0.0000175000000000 ] - [ -0.1666078000000000, 0.0012541400000000, 0.0000000000000000 ] - [ 0.0081712300000000, 0.0000270300000000, 0.0000000000000000 ] - [ 0.0002617200000000, -0.0045935500000000, 0.0000000000000000 ] - [ 0.0002499400000000, 0.0045443100000000, 0.0000000000000000 ] - [ 0.0001628800000000, -0.0036916500000000, 0.0000000000000000 ] - [ 0.0001610800000000, 0.0037427500000000, 0.0000000000000000 ] - [ -0.0062790100000000, -0.0000281600000000, 0.0000000000000000 ] - [ 0.0059417200000000, -0.0000256600000000, 0.0000000000000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002013500000000, 0.0001162500000000, 0.0004066900000000 ] - [ -0.0020013500000000, 0.0001654700000000, 0.0025251200000000 ] - [ -0.0011439700000000, 0.0016504900000000, 0.0025251200000000 ] - [ -0.0011112800000000, 0.0006416000000000, 0.0012053500000000 ] - [ 0.0020013500000000, 0.0001654700000000, 0.0025251200000000 ] - [ 0.0002013500000000, 0.0001162500000000, 0.0004066900000000 ] - [ 0.0011439700000000, 0.0016504900000000, 0.0025251200000000 ] - [ 0.0011112800000000, 0.0006416000000000, 0.0012053500000000 ] - [ 0.0008573800000000, -0.0018159600000000, 0.0025251200000000 ] - [ -0.0008573800000000, -0.0018159600000000, 0.0025251200000000 ] - [ 0.0000000000000000, -0.0002325000000000, 0.0004066900000000 ] - [ 0.0000000000000000, -0.0012831900000000, 0.0012053500000000 ] - [ 0.0000000000000000, 0.0119562000000000, 0.0080878800000000 ] - [ 0.0000000000000000, 0.0004321200000000, 0.0004420000000000 ] - [ 0.0008130200000000, -0.0022607900000000, -0.0006292700000000 ] - [ -0.0008130200000000, -0.0022607900000000, -0.0006292700000000 ] - [ -0.0014348100000000, 0.0001615100000000, 0.0016951400000000 ] - [ 0.0003914900000000, 0.0002260200000000, -0.0004432800000000 ] - [ -0.0005775300000000, -0.0013233400000000, 0.0016951400000000 ] - [ -0.0005489300000000, -0.0003169300000000, 0.0003791700000000 ] - [ 0.0000000000000000, -0.0111121600000000, 0.0071409700000000 ] - [ 0.0000000000000000, 0.0002490500000000, -0.0004069400000000 ] - [ -0.0008148500000000, 0.0029135000000000, -0.0014538500000000 ] - [ 0.0008148500000000, 0.0029135000000000, -0.0014538500000000 ] - [ -0.0096234100000000, 0.0055560800000000, 0.0071409700000000 ] - [ 0.0029305900000000, -0.0007510600000000, -0.0014538500000000 ] - [ 0.0021157300000000, -0.0021624300000000, -0.0014538500000000 ] - [ 0.0002156800000000, -0.0001245200000000, -0.0004069400000000 ] - [ -0.0003914900000000, 0.0002260200000000, -0.0004432800000000 ] - [ 0.0014348100000000, 0.0001615100000000, 0.0016951400000000 ] - [ 0.0005775300000000, -0.0013233400000000, 0.0016951400000000 ] - [ 0.0005489300000000, -0.0003169300000000, 0.0003791700000000 ] - [ -0.0008572800000000, 0.0011618300000000, 0.0016951400000000 ] - [ 0.0008572800000000, 0.0011618300000000, 0.0016951400000000 ] - [ 0.0000000000000000, -0.0004520500000000, -0.0004432800000000 ] - [ 0.0000000000000000, 0.0006338500000000, 0.0003791700000000 ] - [ 0.0103543700000000, -0.0059781000000000, 0.0080878800000000 ] - [ -0.0023644200000000, 0.0004263000000000, -0.0006292700000000 ] - [ -0.0015513900000000, 0.0018345000000000, -0.0006292700000000 ] - [ 0.0003742300000000, -0.0002160600000000, 0.0004420000000000 ] - [ -0.0103543700000000, -0.0059781000000000, 0.0080878800000000 ] - [ 0.0023644200000000, 0.0004263000000000, -0.0006292700000000 ] - [ -0.0003742300000000, -0.0002160600000000, 0.0004420000000000 ] - [ 0.0015513900000000, 0.0018345000000000, -0.0006292700000000 ] - [ 0.0096234100000000, 0.0055560800000000, 0.0071409700000000 ] - [ -0.0029305900000000, -0.0007510600000000, -0.0014538500000000 ] - [ -0.0002156800000000, -0.0001245200000000, -0.0004069400000000 ] - [ -0.0021157300000000, -0.0021624300000000, -0.0014538500000000 ] - [ 0.0000000000000000, 0.0201848900000000, 0.0232256200000000 ] - [ 0.0000000000000000, -0.0003979000000000, 0.0002220800000000 ] - [ -0.0000398400000000, 0.0019225200000000, 0.0020044300000000 ] - [ 0.0000398400000000, 0.0019225200000000, 0.0020044300000000 ] - [ -0.0004045700000000, 0.0025573300000000, -0.0028502800000000 ] - [ 0.0004045700000000, 0.0025573300000000, -0.0028502800000000 ] - [ 0.0000000000000000, 0.0005214100000000, -0.0009061800000000 ] - [ 0.0000000000000000, 0.0029192900000000, -0.0029084100000000 ] - [ -0.0024170000000000, -0.0009283000000000, -0.0028502800000000 ] - [ -0.0004515500000000, -0.0002607000000000, -0.0009061800000000 ] - [ -0.0020124300000000, -0.0016290300000000, -0.0028502800000000 ] - [ -0.0025281800000000, -0.0014596400000000, -0.0029084100000000 ] - [ 0.0004515500000000, -0.0002607000000000, -0.0009061800000000 ] - [ 0.0024170000000000, -0.0009283000000000, -0.0028502800000000 ] - [ 0.0020124300000000, -0.0016290300000000, -0.0028502800000000 ] - [ 0.0025281800000000, -0.0014596400000000, -0.0029084100000000 ] - [ 0.0015999400000000, 0.0004540000000000, -0.0022090000000000 ] - [ -0.0003752000000000, -0.0002166200000000, -0.0002583100000000 ] - [ 0.0011931500000000, 0.0011585900000000, -0.0022090000000000 ] - [ 0.0017130700000000, 0.0009890400000000, -0.0022677100000000 ] - [ 0.0000000000000000, -0.0202471400000000, 0.0233884000000000 ] - [ 0.0000000000000000, -0.0005571100000000, 0.0008664900000000 ] - [ 0.0000411300000000, -0.0028663700000000, 0.0026422400000000 ] - [ -0.0000411300000000, -0.0028663700000000, 0.0026422400000000 ] - [ -0.0175345400000000, 0.0101235700000000, 0.0233884000000000 ] - [ -0.0025029200000000, 0.0013975600000000, 0.0026422400000000 ] - [ -0.0024617800000000, 0.0014688100000000, 0.0026422400000000 ] - [ -0.0004824700000000, 0.0002785500000000, 0.0008664900000000 ] - [ 0.0003752000000000, -0.0002166200000000, -0.0002583100000000 ] - [ -0.0015999400000000, 0.0004540000000000, -0.0022090000000000 ] - [ -0.0011931500000000, 0.0011585900000000, -0.0022090000000000 ] - [ -0.0017130700000000, 0.0009890400000000, -0.0022677100000000 ] - [ 0.0004067900000000, -0.0016125900000000, -0.0022090000000000 ] - [ -0.0004067900000000, -0.0016125900000000, -0.0022090000000000 ] - [ 0.0000000000000000, 0.0004332400000000, -0.0002583100000000 ] - [ 0.0000000000000000, -0.0019780800000000, -0.0022677100000000 ] - [ 0.0174806300000000, -0.0100924500000000, 0.0232256200000000 ] - [ 0.0016848700000000, -0.0009267600000000, 0.0020044300000000 ] - [ 0.0016450400000000, -0.0009957600000000, 0.0020044300000000 ] - [ -0.0003445900000000, 0.0001989500000000, 0.0002220800000000 ] - [ -0.0174806300000000, -0.0100924500000000, 0.0232256200000000 ] - [ -0.0016848700000000, -0.0009267600000000, 0.0020044300000000 ] - [ 0.0003445900000000, 0.0001989500000000, 0.0002220800000000 ] - [ -0.0016450400000000, -0.0009957600000000, 0.0020044300000000 ] - [ 0.0175345400000000, 0.0101235700000000, 0.0233884000000000 ] - [ 0.0025029200000000, 0.0013975600000000, 0.0026422400000000 ] - [ 0.0004824700000000, 0.0002785500000000, 0.0008664900000000 ] - [ 0.0024617800000000, 0.0014688100000000, 0.0026422400000000 ] - [ -0.0054975100000000, -0.0031739900000000, -0.0049071000000000 ] - [ 0.0054975100000000, -0.0031739900000000, -0.0049071000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136900000000 ] - [ 0.0000000000000000, 0.0063479800000000, -0.0049071000000000 ] - [ 0.0055184800000000, 0.0031861000000000, -0.0049176000000000 ] - [ -0.0055184800000000, 0.0031861000000000, -0.0049176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000174100000000 ] - [ 0.0000000000000000, -0.0063721900000000, -0.0049176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1657419100000000 ] - [ 0.0000000000000000, 0.0000006000000000, -0.0066876700000000 ] - [ -0.0000005200000000, -0.0000003000000000, -0.0066876700000000 ] - [ 0.0000005200000000, -0.0000003000000000, -0.0066876700000000 ] - [ -0.0000013000000000, 0.0000007500000000, 0.0073696500000000 ] - [ 0.0000013000000000, 0.0000007500000000, 0.0073696500000000 ] - [ 0.0000000000000000, -0.0000015000000000, 0.0073696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0082703400000000 ]