# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1f5934e7-f96c-4f7b-84c1-b2f8f91a6a78/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 RbInPHO5 / P4_32_12 (96) / materials id 733729](https://mdr.nims.go.jp/datasets/7c5672f2-c214-4923-9da1-8d47eff2196d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4_32_12" number: 96 Hall_symbol: "P 4nw 2abw"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.401282719999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.401282719999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.250597740000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.480623290000000, 0.816465990000000, 0.293011700000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.519376710000000, 0.183534010000000, 0.793011700000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.316465990000000, 0.019376710000000, 0.543011700000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.683534010000000, 0.980623290000000, 0.043011700000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.183534010000000, 0.519376710000000, 0.206988300000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.816465990000000, 0.480623290000000, 0.706988300000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.019376710000000, 0.316465990000000, 0.456988300000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.980623290000000, 0.683534010000000, 0.956988300000000 ] mass: 85.467800 - symbol: In # 9 coordinates: [ 0.093548150000000, 0.906451850000000, 0.250000000000000 ] mass: 114.818000 - symbol: In # 10 coordinates: [ 0.906451850000000, 0.093548150000000, 0.750000000000000 ] mass: 114.818000 - symbol: In # 11 coordinates: [ 0.406451850000000, 0.406451850000000, 0.500000000000000 ] mass: 114.818000 - symbol: In # 12 coordinates: [ 0.593548150000000, 0.593548150000000, 0.000000000000000 ] mass: 114.818000 - symbol: In # 13 coordinates: [ 0.654796890000000, 0.345203110000000, 0.250000000000000 ] mass: 114.818000 - symbol: In # 14 coordinates: [ 0.345203110000000, 0.654796890000000, 0.750000000000000 ] mass: 114.818000 - symbol: In # 15 coordinates: [ 0.845203110000000, 0.845203110000000, 0.500000000000000 ] mass: 114.818000 - symbol: In # 16 coordinates: [ 0.154796890000000, 0.154796890000000, 0.000000000000000 ] mass: 114.818000 - symbol: P # 17 coordinates: [ 0.342397540000000, 0.186501870000000, 0.254351550000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.657602460000000, 0.813498130000000, 0.754351550000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.686501870000000, 0.157602460000000, 0.504351550000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.313498130000000, 0.842397540000000, 0.004351550000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.813498130000000, 0.657602460000000, 0.245648450000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.186501870000000, 0.342397540000000, 0.745648450000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.157602460000000, 0.686501870000000, 0.495648450000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.842397540000000, 0.313498130000000, 0.995648450000000 ] mass: 30.973762 - symbol: H # 25 coordinates: [ 0.624069400000000, 0.559227890000000, 0.398615190000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.375930600000000, 0.440772110000000, 0.898615190000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.059227890000000, 0.875930600000000, 0.648615190000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.940772110000000, 0.124069400000000, 0.148615190000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.440772110000000, 0.375930600000000, 0.101384810000000 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.559227890000000, 0.624069400000000, 0.601384810000000 ] mass: 1.007940 - symbol: H # 31 coordinates: [ 0.875930600000000, 0.059227890000000, 0.351384810000000 ] mass: 1.007940 - symbol: H # 32 coordinates: [ 0.124069400000000, 0.940772110000000, 0.851384810000000 ] mass: 1.007940 - symbol: O # 33 coordinates: [ 0.331617550000000, 0.005304250000000, 0.992855060000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.668382450000000, 0.994695750000000, 0.492855060000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.505304250000000, 0.168382450000000, 0.242855060000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.494695750000000, 0.831617550000000, 0.742855060000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.994695750000000, 0.668382450000000, 0.507144940000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.005304250000000, 0.331617550000000, 0.007144940000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.168382450000000, 0.505304250000000, 0.757144940000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.831617550000000, 0.494695750000000, 0.257144940000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.210681860000000, 0.802808190000000, 0.107839420000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.789318140000000, 0.197191810000000, 0.607839420000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.302808190000000, 0.289318140000000, 0.357839420000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.697191810000000, 0.710681860000000, 0.857839420000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.197191810000000, 0.789318140000000, 0.392160580000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.802808190000000, 0.210681860000000, 0.892160580000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.289318140000000, 0.302808190000000, 0.642160580000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.710681860000000, 0.697191810000000, 0.142160580000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.276947590000000, 0.039822100000000, 0.282259530000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.723052410000000, 0.960177900000000, 0.782259530000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.539822100000000, 0.223052410000000, 0.532259530000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.460177900000000, 0.776947590000000, 0.032259530000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.960177900000000, 0.723052410000000, 0.217740470000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.039822100000000, 0.276947590000000, 0.717740470000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.223052410000000, 0.539822100000000, 0.467740470000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.776947590000000, 0.460177900000000, 0.967740470000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.281357760000000, 0.253006800000000, 0.137746820000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.718642240000000, 0.746993200000000, 0.637746820000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.753006800000000, 0.218642240000000, 0.387746820000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.246993200000000, 0.781357760000000, 0.887746820000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.746993200000000, 0.718642240000000, 0.362253180000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.253006800000000, 0.281357760000000, 0.862253180000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.218642240000000, 0.753006800000000, 0.612253180000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.781357760000000, 0.246993200000000, 0.112253180000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.947826160000000, 0.988415900000000, 0.376313620000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.052173840000000, 0.011584100000000, 0.876313620000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.488415900000000, 0.552173840000000, 0.626313620000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.511584100000000, 0.447826160000000, 0.126313620000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.011584100000000, 0.052173840000000, 0.123686380000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.988415900000000, 0.947826160000000, 0.623686380000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.552173840000000, 0.488415900000000, 0.373686380000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.447826160000000, 0.511584100000000, 0.873686380000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.106368463728107, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.106368463728107, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.088884166255863 ] # c*unit_cell: lattice: - [ 9.401282719999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.401282719999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.250597740000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.480623290000000, 0.816465990000000, 0.293011700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.519376710000000, 0.183534010000000, 0.793011700000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.316465990000000, 0.019376710000000, 0.543011700000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.683534010000000, 0.980623290000000, 0.043011700000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.183534010000000, 0.519376710000000, 0.206988300000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.816465990000000, 0.480623290000000, 0.706988300000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.019376710000000, 0.316465990000000, 0.456988300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.980623290000000, 0.683534010000000, 0.956988300000000 ] mass: 85.467800 reduced_to: 8 - symbol: In # 9 coordinates: [ 0.093548150000000, 0.906451850000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 9 - symbol: In # 10 coordinates: [ 0.906451850000000, 0.093548150000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 10 - symbol: In # 11 coordinates: [ 0.406451850000000, 0.406451850000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 11 - symbol: In # 12 coordinates: [ 0.593548150000000, 0.593548150000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 12 - symbol: In # 13 coordinates: [ 0.654796890000000, 0.345203110000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 13 - symbol: In # 14 coordinates: [ 0.345203110000000, 0.654796890000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 14 - symbol: In # 15 coordinates: [ 0.845203110000000, 0.845203110000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 15 - symbol: In # 16 coordinates: [ 0.154796890000000, 0.154796890000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.342397540000000, 0.186501870000000, 0.254351550000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.657602460000000, 0.813498130000000, 0.754351550000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.686501870000000, 0.157602460000000, 0.504351550000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.313498130000000, 0.842397540000000, 0.004351550000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.813498130000000, 0.657602460000000, 0.245648450000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.186501870000000, 0.342397540000000, 0.745648450000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.157602460000000, 0.686501870000000, 0.495648450000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.842397540000000, 0.313498130000000, 0.995648450000000 ] mass: 30.973762 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.624069400000000, 0.559227890000000, 0.398615190000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.375930600000000, 0.440772110000000, 0.898615190000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.059227890000000, 0.875930600000000, 0.648615190000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.940772110000000, 0.124069400000000, 0.148615190000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.440772110000000, 0.375930600000000, 0.101384810000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.559227890000000, 0.624069400000000, 0.601384810000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.875930600000000, 0.059227890000000, 0.351384810000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.124069400000000, 0.940772110000000, 0.851384810000000 ] mass: 1.007940 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.331617550000000, 0.005304250000000, 0.992855060000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.668382450000000, 0.994695750000000, 0.492855060000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.505304250000000, 0.168382450000000, 0.242855060000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.494695750000000, 0.831617550000000, 0.742855060000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.994695750000000, 0.668382450000000, 0.507144940000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.005304250000000, 0.331617550000000, 0.007144940000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.168382450000000, 0.505304250000000, 0.757144940000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.831617550000000, 0.494695750000000, 0.257144940000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.210681860000000, 0.802808190000000, 0.107839420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.789318140000000, 0.197191810000000, 0.607839420000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.302808190000000, 0.289318140000000, 0.357839420000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.697191810000000, 0.710681860000000, 0.857839420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.197191810000000, 0.789318140000000, 0.392160580000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.802808190000000, 0.210681860000000, 0.892160580000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.289318140000000, 0.302808190000000, 0.642160580000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.710681860000000, 0.697191810000000, 0.142160580000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.276947590000000, 0.039822100000000, 0.282259530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.723052410000000, 0.960177900000000, 0.782259530000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.539822100000000, 0.223052410000000, 0.532259530000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.460177900000000, 0.776947590000000, 0.032259530000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.960177900000000, 0.723052410000000, 0.217740470000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.039822100000000, 0.276947590000000, 0.717740470000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.223052410000000, 0.539822100000000, 0.467740470000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.776947590000000, 0.460177900000000, 0.967740470000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.281357760000000, 0.253006800000000, 0.137746820000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.718642240000000, 0.746993200000000, 0.637746820000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.753006800000000, 0.218642240000000, 0.387746820000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.246993200000000, 0.781357760000000, 0.887746820000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.746993200000000, 0.718642240000000, 0.362253180000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.253006800000000, 0.281357760000000, 0.862253180000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.218642240000000, 0.753006800000000, 0.612253180000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.781357760000000, 0.246993200000000, 0.112253180000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.947826160000000, 0.988415900000000, 0.376313620000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.052173840000000, 0.011584100000000, 0.876313620000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.488415900000000, 0.552173840000000, 0.626313620000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.511584100000000, 0.447826160000000, 0.126313620000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.011584100000000, 0.052173840000000, 0.123686380000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.988415900000000, 0.947826160000000, 0.623686380000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.552173840000000, 0.488415900000000, 0.373686380000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.447826160000000, 0.511584100000000, 0.873686380000000 ] mass: 15.999400 reduced_to: 72supercell: lattice: - [ 9.401282719999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.401282719999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.250597740000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.480623290000000, 0.816465990000000, 0.293011700000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.519376710000000, 0.183534010000000, 0.793011700000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.316465990000000, 0.019376710000000, 0.543011700000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.683534010000000, 0.980623290000000, 0.043011700000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.183534010000000, 0.519376710000000, 0.206988300000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.816465990000000, 0.480623290000000, 0.706988300000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.019376710000000, 0.316465990000000, 0.456988300000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.980623290000000, 0.683534010000000, 0.956988300000000 ] mass: 85.467800 reduced_to: 8 - symbol: In # 9 coordinates: [ 0.093548150000000, 0.906451850000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 9 - symbol: In # 10 coordinates: [ 0.906451850000000, 0.093548150000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 10 - symbol: In # 11 coordinates: [ 0.406451850000000, 0.406451850000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 11 - symbol: In # 12 coordinates: [ 0.593548150000000, 0.593548150000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 12 - symbol: In # 13 coordinates: [ 0.654796890000000, 0.345203110000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 13 - symbol: In # 14 coordinates: [ 0.345203110000000, 0.654796890000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 14 - symbol: In # 15 coordinates: [ 0.845203110000000, 0.845203110000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 15 - symbol: In # 16 coordinates: [ 0.154796890000000, 0.154796890000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.342397540000000, 0.186501870000000, 0.254351550000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.657602460000000, 0.813498130000000, 0.754351550000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.686501870000000, 0.157602460000000, 0.504351550000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.313498130000000, 0.842397540000000, 0.004351550000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.813498130000000, 0.657602460000000, 0.245648450000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.186501870000000, 0.342397540000000, 0.745648450000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.157602460000000, 0.686501870000000, 0.495648450000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.842397540000000, 0.313498130000000, 0.995648450000000 ] mass: 30.973762 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.624069400000000, 0.559227890000000, 0.398615190000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.375930600000000, 0.440772110000000, 0.898615190000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.059227890000000, 0.875930600000000, 0.648615190000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.940772110000000, 0.124069400000000, 0.148615190000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.440772110000000, 0.375930600000000, 0.101384810000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.559227890000000, 0.624069400000000, 0.601384810000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.875930600000000, 0.059227890000000, 0.351384810000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.124069400000000, 0.940772110000000, 0.851384810000000 ] mass: 1.007940 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.331617550000000, 0.005304250000000, 0.992855060000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.668382450000000, 0.994695750000000, 0.492855060000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.505304250000000, 0.168382450000000, 0.242855060000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.494695750000000, 0.831617550000000, 0.742855060000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.994695750000000, 0.668382450000000, 0.507144940000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.005304250000000, 0.331617550000000, 0.007144940000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.168382450000000, 0.505304250000000, 0.757144940000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.831617550000000, 0.494695750000000, 0.257144940000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.210681860000000, 0.802808190000000, 0.107839420000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.789318140000000, 0.197191810000000, 0.607839420000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.302808190000000, 0.289318140000000, 0.357839420000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.697191810000000, 0.710681860000000, 0.857839420000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.197191810000000, 0.789318140000000, 0.392160580000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.802808190000000, 0.210681860000000, 0.892160580000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.289318140000000, 0.302808190000000, 0.642160580000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.710681860000000, 0.697191810000000, 0.142160580000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.276947590000000, 0.039822100000000, 0.282259530000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.723052410000000, 0.960177900000000, 0.782259530000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.539822100000000, 0.223052410000000, 0.532259530000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.460177900000000, 0.776947590000000, 0.032259530000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.960177900000000, 0.723052410000000, 0.217740470000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.039822100000000, 0.276947590000000, 0.717740470000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.223052410000000, 0.539822100000000, 0.467740470000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.776947590000000, 0.460177900000000, 0.967740470000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.281357760000000, 0.253006800000000, 0.137746820000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.718642240000000, 0.746993200000000, 0.637746820000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.753006800000000, 0.218642240000000, 0.387746820000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.246993200000000, 0.781357760000000, 0.887746820000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.746993200000000, 0.718642240000000, 0.362253180000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.253006800000000, 0.281357760000000, 0.862253180000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.218642240000000, 0.753006800000000, 0.612253180000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.781357760000000, 0.246993200000000, 0.112253180000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.947826160000000, 0.988415900000000, 0.376313620000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.052173840000000, 0.011584100000000, 0.876313620000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.488415900000000, 0.552173840000000, 0.626313620000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.511584100000000, 0.447826160000000, 0.126313620000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.011584100000000, 0.052173840000000, 0.123686380000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.988415900000000, 0.947826160000000, 0.623686380000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.552173840000000, 0.488415900000000, 0.373686380000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.447826160000000, 0.511584100000000, 0.873686380000000 ] mass: 15.999400 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0410310100000000, 0.0145805200000000, 0.0015733400000000 ] - [ -0.0002165100000000, -0.0001113400000000, 0.0000336700000000 ] - [ -0.0001920300000000, -0.0013974000000000, -0.0022090500000000 ] - [ 0.0003080600000000, 0.0014016800000000, -0.0025395800000000 ] - [ 0.0012580500000000, 0.0020622100000000, 0.0006620900000000 ] - [ 0.0003640000000000, -0.0003210600000000, 0.0000635000000000 ] - [ 0.0010639000000000, 0.0002083600000000, -0.0000042500000000 ] - [ 0.0008320800000000, 0.0000440600000000, -0.0001819600000000 ] - [ 0.0120404800000000, -0.0022637600000000, 0.0014719100000000 ] - [ 0.0006405200000000, 0.0003526300000000, 0.0002306400000000 ] - [ -0.0032396300000000, -0.0001283200000000, -0.0001676000000000 ] - [ -0.0023314300000000, -0.0007925400000000, -0.0029792700000000 ] - [ -0.0010674200000000, -0.0019326800000000, -0.0007581300000000 ] - [ -0.0015571400000000, 0.0008906200000000, -0.0002913700000000 ] - [ 0.0056671000000000, 0.0006958900000000, 0.0042428200000000 ] - [ 0.0013843600000000, -0.0004994900000000, 0.0007989600000000 ] - [ -0.0048893400000000, -0.0070544100000000, 0.0013462100000000 ] - [ -0.0006627700000000, 0.0006356200000000, 0.0009230600000000 ] - [ -0.0004242100000000, 0.0044050700000000, 0.0012108900000000 ] - [ -0.0031266200000000, -0.0009512600000000, 0.0069550000000000 ] - [ 0.0136153500000000, -0.0055169700000000, -0.0032503300000000 ] - [ 0.0004241900000000, -0.0005820500000000, -0.0002729800000000 ] - [ 0.0061041700000000, 0.0040982600000000, -0.0063017900000000 ] - [ 0.0004291200000000, -0.0002398900000000, -0.0004077600000000 ] - [ 0.0000610200000000, -0.0019324700000000, 0.0012257100000000 ] - [ -0.0003686800000000, -0.0009389400000000, 0.0000733000000000 ] - [ 0.0013458500000000, -0.0005457300000000, -0.0000705400000000 ] - [ -0.0004989400000000, 0.0001944300000000, -0.0000505600000000 ] - [ -0.0014043900000000, -0.0004681500000000, -0.0000021300000000 ] - [ 0.0005559500000000, 0.0000447800000000, 0.0002812500000000 ] - [ 0.0001842400000000, 0.0012444600000000, 0.0001313000000000 ] - [ 0.0004619700000000, -0.0010351500000000, -0.0000063300000000 ] - [ 0.0011843800000000, 0.0015677100000000, -0.0015882200000000 ] - [ -0.0006588100000000, -0.0030148600000000, -0.0018117900000000 ] - [ 0.0042213400000000, 0.0003769000000000, -0.0006409900000000 ] - [ 0.0002618800000000, 0.0005199700000000, -0.0005308700000000 ] - [ -0.0044835500000000, -0.0008987100000000, 0.0010248100000000 ] - [ -0.0000375500000000, 0.0007128300000000, 0.0003576600000000 ] - [ -0.0007461500000000, 0.0005925900000000, 0.0005793100000000 ] - [ -0.0009469900000000, 0.0016151400000000, 0.0006784500000000 ] - [ -0.0012462400000000, 0.0000356300000000, -0.0028716800000000 ] - [ 0.0002266400000000, -0.0005576100000000, -0.0003038400000000 ] - [ 0.0006969800000000, 0.0024243900000000, 0.0012143900000000 ] - [ 0.0006138200000000, -0.0008940500000000, 0.0005985100000000 ] - [ 0.0035040500000000, 0.0000706700000000, -0.0007975900000000 ] - [ -0.0005916700000000, -0.0008153100000000, -0.0001814900000000 ] - [ 0.0008539700000000, -0.0001324100000000, -0.0001418100000000 ] - [ 0.0002808500000000, 0.0007565900000000, 0.0010208200000000 ] - [ 0.0047448500000000, -0.0005802000000000, -0.0001975700000000 ] - [ -0.0002306900000000, -0.0010226100000000, 0.0001470300000000 ] - [ 0.0021663700000000, -0.0009199200000000, -0.0001702900000000 ] - [ 0.0024263800000000, -0.0005986700000000, -0.0000087500000000 ] - [ -0.0060093600000000, -0.0013425100000000, 0.0006128900000000 ] - [ 0.0003953200000000, 0.0001392600000000, -0.0001764200000000 ] - [ -0.0006519300000000, -0.0009957400000000, 0.0011462200000000 ] - [ -0.0001896800000000, -0.0002009700000000, 0.0002330700000000 ] - [ 0.0010338300000000, 0.0011771400000000, -0.0003324700000000 ] - [ -0.0002252400000000, 0.0000243000000000, -0.0005243000000000 ] - [ -0.0002223200000000, -0.0010943300000000, 0.0006778100000000 ] - [ 0.0004313100000000, -0.0000247200000000, -0.0006821600000000 ] - [ 0.0089082400000000, -0.0039146200000000, 0.0013927600000000 ] - [ -0.0001380400000000, 0.0005333000000000, -0.0007576200000000 ] - [ -0.0006910800000000, -0.0004877700000000, 0.0014302400000000 ] - [ 0.0000762000000000, 0.0001107900000000, -0.0003710300000000 ] - [ -0.0033699200000000, -0.0007056400000000, 0.0000506900000000 ] - [ 0.0003967700000000, 0.0004829000000000, -0.0004055300000000 ] - [ 0.0004712900000000, 0.0008149900000000, -0.0004992100000000 ] - [ 0.0016911100000000, -0.0002984900000000, -0.0000129500000000 ] - [ -0.0010026600000000, 0.0012566000000000, 0.0001042500000000 ] - [ -0.0012539400000000, -0.0007114700000000, 0.0001006800000000 ] - [ 0.0029031200000000, 0.0016206200000000, -0.0003422900000000 ] - [ -0.0005232000000000, 0.0002313100000000, 0.0002492700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0403775500000000, -0.0141318200000000, -0.0017724700000000 ] - [ 0.0007132400000000, -0.0001627500000000, -0.0000243000000000 ] - [ 0.0004808800000000, 0.0018988900000000, 0.0022204800000000 ] - [ -0.0005971800000000, -0.0018946200000000, 0.0025409200000000 ] - [ -0.0015287500000000, -0.0015806200000000, -0.0006767900000000 ] - [ -0.0000908900000000, -0.0001770500000000, -0.0000712800000000 ] - [ -0.0005663400000000, 0.0000653600000000, -0.0000033600000000 ] - [ -0.0013288800000000, -0.0003187100000000, 0.0001703800000000 ] - [ -0.0112052700000000, 0.0013811800000000, -0.0015020200000000 ] - [ -0.0015690500000000, 0.0005755700000000, -0.0002282900000000 ] - [ 0.0023251700000000, -0.0007953400000000, 0.0001603000000000 ] - [ 0.0032277100000000, 0.0017259800000000, 0.0029857500000000 ] - [ 0.0015121300000000, 0.0014594500000000, 0.0007579500000000 ] - [ 0.0010983500000000, -0.0004260100000000, 0.0002978900000000 ] - [ -0.0061098300000000, -0.0011521600000000, -0.0041983400000000 ] - [ -0.0009106000000000, 0.0009657800000000, -0.0008016200000000 ] - [ 0.0032314100000000, 0.0067927100000000, -0.0010397400000000 ] - [ 0.0023445300000000, -0.0003715200000000, -0.0006075000000000 ] - [ 0.0001554500000000, -0.0027149600000000, -0.0009004000000000 ] - [ 0.0034551600000000, -0.0007460100000000, -0.0066581700000000 ] - [ -0.0132332800000000, 0.0071058600000000, 0.0029045500000000 ] - [ -0.0006825700000000, -0.0011086900000000, -0.0000339200000000 ] - [ -0.0044471400000000, -0.0043757100000000, 0.0060303100000000 ] - [ -0.0021216400000000, 0.0004999000000000, 0.0000975200000000 ] - [ 0.0004586900000000, 0.0037262900000000, -0.0011007700000000 ] - [ -0.0001701400000000, -0.0008720900000000, 0.0000461500000000 ] - [ 0.0004656100000000, 0.0000062400000000, 0.0001902800000000 ] - [ -0.0013140600000000, 0.0003474000000000, 0.0001692100000000 ] - [ -0.0004038300000000, -0.0000729700000000, -0.0001175800000000 ] - [ 0.0012514700000000, 0.0004955600000000, -0.0004031300000000 ] - [ -0.0007252100000000, 0.0005757200000000, -0.0002495700000000 ] - [ 0.0000794500000000, -0.0007772500000000, -0.0001122200000000 ] - [ -0.0000482000000000, 0.0002170400000000, 0.0007120600000000 ] - [ -0.0004664200000000, 0.0012371200000000, 0.0009444000000000 ] - [ -0.0024528300000000, -0.0015085000000000, -0.0002353000000000 ] - [ -0.0020407900000000, 0.0006291100000000, -0.0003475500000000 ] - [ 0.0026983700000000, -0.0002539100000000, -0.0001479000000000 ] - [ 0.0018212000000000, 0.0004371000000000, 0.0005206000000000 ] - [ -0.0004041000000000, 0.0011891400000000, 0.0002966700000000 ] - [ 0.0020934800000000, -0.0033804800000000, 0.0002005900000000 ] - [ -0.0004675600000000, -0.0004849000000000, 0.0037135000000000 ] - [ 0.0014369900000000, 0.0010096300000000, 0.0011542800000000 ] - [ -0.0011541800000000, -0.0007602200000000, -0.0003579100000000 ] - [ -0.0001594000000000, -0.0007669900000000, 0.0002487400000000 ] - [ -0.0033778800000000, 0.0015583300000000, 0.0001003600000000 ] - [ 0.0001421100000000, -0.0008450700000000, -0.0006674100000000 ] - [ 0.0008054100000000, -0.0003173600000000, -0.0007083500000000 ] - [ -0.0018041200000000, -0.0003660800000000, -0.0019041500000000 ] - [ -0.0042897100000000, 0.0025753900000000, 0.0004551900000000 ] - [ -0.0003701000000000, -0.0007932000000000, 0.0001171500000000 ] - [ -0.0003462500000000, 0.0003138400000000, 0.0004372000000000 ] - [ -0.0042590500000000, 0.0012024200000000, 0.0002688400000000 ] - [ 0.0041917700000000, 0.0007506800000000, -0.0008738300000000 ] - [ 0.0014195200000000, 0.0004626400000000, -0.0000902200000000 ] - [ 0.0000428900000000, 0.0028307100000000, -0.0014197600000000 ] - [ 0.0007936300000000, -0.0016134100000000, -0.0004977400000000 ] - [ -0.0000924600000000, -0.0013335000000000, 0.0016850800000000 ] - [ -0.0007194500000000, 0.0001312200000000, 0.0018734600000000 ] - [ 0.0000719600000000, 0.0001408800000000, 0.0006768700000000 ] - [ -0.0002865000000000, 0.0009737300000000, 0.0020358400000000 ] - [ -0.0082468500000000, 0.0027482900000000, -0.0026228100000000 ] - [ -0.0000203100000000, 0.0004167100000000, -0.0006001800000000 ] - [ -0.0002617900000000, 0.0003323700000000, -0.0028031800000000 ] - [ 0.0008771400000000, 0.0000461300000000, -0.0009844200000000 ] - [ 0.0015116900000000, 0.0000325100000000, -0.0004555800000000 ] - [ 0.0014569200000000, 0.0001803700000000, 0.0000042200000000 ] - [ -0.0011361400000000, 0.0010395900000000, 0.0001016600000000 ] - [ -0.0010219200000000, -0.0015597500000000, -0.0003916100000000 ] - [ 0.0016636100000000, 0.0005940100000000, 0.0003016600000000 ] - [ 0.0005915100000000, -0.0011459500000000, 0.0002958900000000 ] - [ -0.0010293800000000, -0.0022932400000000, 0.0007456200000000 ] - [ -0.0013349100000000, 0.0004300000000000, 0.0001478000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0141570300000000, -0.0147482800000000, 0.0007314800000000 ] - [ 0.0002742600000000, 0.0000854500000000, 0.0000685000000000 ] - [ -0.0011275600000000, 0.0006952900000000, 0.0025082900000000 ] - [ 0.0011237600000000, -0.0005930200000000, -0.0018778100000000 ] - [ 0.0013487900000000, 0.0016448900000000, 0.0005753300000000 ] - [ 0.0000131600000000, -0.0000197400000000, -0.0000889800000000 ] - [ 0.0001761400000000, 0.0006638300000000, -0.0000378700000000 ] - [ -0.0004296000000000, -0.0002898100000000, 0.0002432800000000 ] - [ -0.0032134100000000, -0.0037227600000000, -0.0005841800000000 ] - [ -0.0003609900000000, 0.0004828000000000, 0.0002423300000000 ] - [ 0.0010398800000000, 0.0035431700000000, -0.0015674100000000 ] - [ -0.0000216500000000, 0.0012311000000000, 0.0036564400000000 ] - [ 0.0004600000000000, 0.0057579100000000, 0.0007381100000000 ] - [ 0.0002296800000000, -0.0002612000000000, -0.0004139300000000 ] - [ -0.0000574000000000, -0.0031086600000000, -0.0007391500000000 ] - [ -0.0004154400000000, 0.0006664400000000, -0.0009730900000000 ] - [ -0.0053280600000000, 0.0093483900000000, -0.0006863100000000 ] - [ 0.0009546600000000, -0.0009900800000000, 0.0001380700000000 ] - [ 0.0006719300000000, 0.0038756400000000, 0.0014211100000000 ] - [ 0.0010316700000000, -0.0040345600000000, -0.0005721100000000 ] - [ -0.0061018400000000, 0.0019224300000000, 0.0004737100000000 ] - [ -0.0002047700000000, -0.0002147000000000, -0.0001532600000000 ] - [ 0.0020769800000000, -0.0023185700000000, -0.0007332400000000 ] - [ -0.0010710100000000, 0.0013765400000000, -0.0003965700000000 ] - [ -0.0017721500000000, 0.0030327500000000, -0.0014799800000000 ] - [ -0.0001345600000000, -0.0007066500000000, 0.0001495600000000 ] - [ 0.0009336700000000, -0.0005016300000000, 0.0000378400000000 ] - [ -0.0009397100000000, 0.0004867500000000, 0.0000553000000000 ] - [ -0.0002777500000000, 0.0004247400000000, -0.0003499000000000 ] - [ 0.0005802400000000, 0.0000856600000000, -0.0006366600000000 ] - [ 0.0000627800000000, 0.0010971700000000, -0.0000222500000000 ] - [ 0.0002710700000000, -0.0010606600000000, -0.0000469300000000 ] - [ 0.0008852000000000, 0.0020006200000000, 0.0003802500000000 ] - [ -0.0018510500000000, -0.0010841500000000, -0.0014959400000000 ] - [ 0.0003537300000000, -0.0051369500000000, 0.0000095400000000 ] - [ -0.0009205300000000, 0.0010759300000000, -0.0005089400000000 ] - [ -0.0006260000000000, -0.0001637400000000, 0.0005432800000000 ] - [ 0.0010840800000000, 0.0001147300000000, 0.0004746300000000 ] - [ -0.0006354900000000, 0.0004897600000000, 0.0004643800000000 ] - [ 0.0013718300000000, -0.0017177300000000, 0.0003265200000000 ] - [ -0.0009388700000000, 0.0013881300000000, 0.0007696000000000 ] - [ 0.0003597600000000, -0.0003970300000000, -0.0001920400000000 ] - [ 0.0003808400000000, -0.0021691600000000, -0.0012187200000000 ] - [ 0.0002060000000000, -0.0003958100000000, 0.0000550600000000 ] - [ 0.0014886100000000, 0.0029071600000000, -0.0014856000000000 ] - [ -0.0002861600000000, -0.0012535600000000, -0.0004913400000000 ] - [ 0.0008301900000000, -0.0007817700000000, -0.0004817200000000 ] - [ -0.0007858300000000, 0.0013818900000000, -0.0008721000000000 ] - [ -0.0031461000000000, 0.0056919700000000, 0.0000697100000000 ] - [ -0.0001875400000000, -0.0003637300000000, 0.0002540600000000 ] - [ 0.0011442300000000, -0.0018324100000000, -0.0001376200000000 ] - [ -0.0018535700000000, 0.0021127800000000, 0.0000390200000000 ] - [ 0.0008137100000000, 0.0005340800000000, -0.0003698000000000 ] - [ 0.0008201900000000, 0.0000696600000000, -0.0001728300000000 ] - [ -0.0014310600000000, 0.0010252300000000, 0.0006632300000000 ] - [ 0.0008177600000000, -0.0017667600000000, -0.0002682900000000 ] - [ 0.0014177600000000, -0.0021345600000000, 0.0023865600000000 ] - [ -0.0003724500000000, 0.0007079900000000, 0.0009850200000000 ] - [ -0.0004350800000000, -0.0018216500000000, 0.0007172100000000 ] - [ -0.0001318500000000, 0.0009732300000000, 0.0007681500000000 ] - [ -0.0025488400000000, 0.0018675300000000, -0.0008072100000000 ] - [ -0.0000751600000000, 0.0001614200000000, -0.0005201700000000 ] - [ -0.0005006200000000, 0.0006590700000000, -0.0003919200000000 ] - [ 0.0003408100000000, -0.0007335700000000, -0.0003734000000000 ] - [ -0.0008670000000000, 0.0002901400000000, -0.0003492300000000 ] - [ 0.0010202600000000, 0.0004241900000000, -0.0000875700000000 ] - [ -0.0004336700000000, 0.0009304000000000, 0.0008585500000000 ] - [ 0.0003340600000000, -0.0034116400000000, -0.0008333800000000 ] - [ 0.0007226600000000, 0.0008568900000000, 0.0005527100000000 ] - [ -0.0003349500000000, -0.0005644500000000, 0.0001290800000000 ] - [ 0.0011432400000000, -0.0040226200000000, 0.0009196500000000 ] - [ -0.0011229100000000, 0.0002378500000000, 0.0000119100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0145515900000000, 0.0147981100000000, -0.0007475600000000 ] - [ 0.0002225800000000, -0.0003608700000000, -0.0000591100000000 ] - [ 0.0013926800000000, -0.0002102700000000, -0.0024830400000000 ] - [ -0.0013964200000000, 0.0000800600000000, 0.0018828000000000 ] - [ -0.0016369600000000, -0.0011423000000000, -0.0005886500000000 ] - [ 0.0002613100000000, -0.0004744500000000, 0.0000803400000000 ] - [ 0.0003190200000000, -0.0003890500000000, 0.0000301800000000 ] - [ -0.0000665200000000, 0.0000178300000000, -0.0002508600000000 ] - [ 0.0041425800000000, 0.0027646300000000, 0.0005851600000000 ] - [ -0.0005627200000000, 0.0004365100000000, -0.0002416200000000 ] - [ -0.0019727700000000, -0.0044702000000000, 0.0015929000000000 ] - [ 0.0009515700000000, -0.0002777800000000, -0.0036674300000000 ] - [ 0.0000411000000000, -0.0062210500000000, -0.0007408500000000 ] - [ -0.0006997300000000, 0.0007372100000000, 0.0004156700000000 ] - [ -0.0004211100000000, 0.0026302600000000, 0.0007262800000000 ] - [ 0.0008783600000000, -0.0002077600000000, 0.0009643000000000 ] - [ 0.0035496900000000, -0.0095407000000000, 0.0009811600000000 ] - [ 0.0007321900000000, 0.0012476900000000, 0.0001696300000000 ] - [ -0.0009184800000000, -0.0022030700000000, -0.0010911400000000 ] - [ -0.0007474800000000, 0.0023169600000000, 0.0009195100000000 ] - [ 0.0063689500000000, -0.0001895900000000, -0.0007837000000000 ] - [ -0.0000599800000000, -0.0014688700000000, -0.0001529400000000 ] - [ -0.0003874100000000, 0.0020963300000000, 0.0004052000000000 ] - [ -0.0006166300000000, -0.0011112600000000, 0.0000785800000000 ] - [ 0.0023384000000000, -0.0012381600000000, 0.0016177200000000 ] - [ -0.0004048200000000, -0.0011040300000000, -0.0000324200000000 ] - [ 0.0008782700000000, -0.0000388200000000, 0.0000806400000000 ] - [ -0.0008703000000000, 0.0000513200000000, 0.0000634400000000 ] - [ -0.0015369700000000, -0.0009631900000000, 0.0002308500000000 ] - [ 0.0012318800000000, 0.0004573500000000, 0.0005181800000000 ] - [ -0.0005991900000000, 0.0007109300000000, -0.0000965500000000 ] - [ 0.0002691600000000, -0.0007525500000000, -0.0000715000000000 ] - [ 0.0002690600000000, -0.0002079500000000, -0.0012541100000000 ] - [ 0.0007046400000000, -0.0006605900000000, 0.0006295500000000 ] - [ 0.0014130200000000, 0.0039958600000000, -0.0008840900000000 ] - [ -0.0008538200000000, 0.0000783600000000, -0.0003679700000000 ] - [ -0.0011479200000000, -0.0009977500000000, 0.0003376400000000 ] - [ 0.0006923700000000, 0.0010380900000000, 0.0004043300000000 ] - [ -0.0005170900000000, 0.0012799400000000, 0.0004118100000000 ] - [ -0.0002220800000000, -0.0000770100000000, 0.0005517400000000 ] - [ -0.0007259400000000, -0.0018311100000000, 0.0000629900000000 ] - [ 0.0012919200000000, 0.0008540300000000, 0.0010296400000000 ] - [ -0.0008195500000000, 0.0038197300000000, 0.0020558000000000 ] - [ 0.0002470300000000, -0.0012586800000000, 0.0007844400000000 ] - [ -0.0010342800000000, -0.0012419600000000, 0.0006470400000000 ] - [ -0.0001655100000000, -0.0003994700000000, -0.0003480000000000 ] - [ 0.0008261700000000, 0.0003281900000000, -0.0003628100000000 ] - [ -0.0008314800000000, -0.0009540100000000, 0.0000086300000000 ] - [ 0.0035704100000000, -0.0036431100000000, 0.0001764800000000 ] - [ -0.0004225800000000, -0.0014586100000000, 0.0000128000000000 ] - [ 0.0006754300000000, 0.0012233000000000, 0.0003968500000000 ] - [ 0.0000238800000000, -0.0014986600000000, 0.0002219200000000 ] - [ -0.0026362200000000, -0.0011490000000000, 0.0001010900000000 ] - [ 0.0010071600000000, 0.0005410400000000, -0.0000946600000000 ] - [ 0.0008311000000000, 0.0007858300000000, -0.0009358000000000 ] - [ -0.0002071900000000, -0.0000647700000000, 0.0000036300000000 ] - [ -0.0004491600000000, 0.0019755800000000, -0.0010128700000000 ] - [ -0.0005797900000000, -0.0005515400000000, 0.0003806700000000 ] - [ 0.0002726800000000, 0.0008733400000000, 0.0006354700000000 ] - [ 0.0002827300000000, -0.0000204800000000, 0.0005850300000000 ] - [ 0.0027495900000000, -0.0028213500000000, -0.0005480400000000 ] - [ -0.0000799900000000, 0.0007902100000000, -0.0008413900000000 ] - [ -0.0004501700000000, -0.0008184700000000, -0.0009629200000000 ] - [ 0.0006049900000000, 0.0008888500000000, -0.0009817700000000 ] - [ -0.0009878200000000, -0.0009414700000000, -0.0000481000000000 ] - [ 0.0008344100000000, 0.0002366000000000, -0.0003092200000000 ] - [ -0.0002240000000000, 0.0009182800000000, -0.0012612200000000 ] - [ 0.0003199800000000, 0.0015549700000000, 0.0004536200000000 ] - [ -0.0000632700000000, 0.0010034500000000, -0.0001550700000000 ] - [ -0.0003234600000000, -0.0012872100000000, 0.0002683800000000 ] - [ 0.0007275900000000, 0.0033010800000000, -0.0005138700000000 ] - [ -0.0007315000000000, 0.0004152700000000, 0.0003872100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014153300000000, 0.0009223700000000, -0.0196486400000000 ] - [ 0.0002195200000000, -0.0001989700000000, 0.0008663500000000 ] - [ -0.0017546900000000, 0.0028016100000000, 0.0023763800000000 ] - [ -0.0026163700000000, -0.0024492600000000, 0.0023625500000000 ] - [ 0.0004473900000000, 0.0009187400000000, -0.0009534600000000 ] - [ 0.0002215300000000, -0.0003162600000000, 0.0005273300000000 ] - [ 0.0002477600000000, 0.0001702300000000, -0.0002196900000000 ] - [ -0.0000728800000000, 0.0001100000000000, 0.0004218600000000 ] - [ 0.0018292600000000, -0.0008846500000000, -0.0044833100000000 ] - [ -0.0002372300000000, 0.0004886400000000, 0.0019029400000000 ] - [ -0.0011031500000000, -0.0020206300000000, -0.0000029600000000 ] - [ -0.0019608800000000, 0.0043490900000000, 0.0042002600000000 ] - [ -0.0001491100000000, -0.0002369900000000, -0.0027621800000000 ] - [ -0.0006142200000000, 0.0003405800000000, 0.0036061100000000 ] - [ 0.0027976800000000, -0.0006102000000000, 0.0007199000000000 ] - [ 0.0011384200000000, -0.0010538300000000, 0.0004198500000000 ] - [ 0.0001105200000000, -0.0008467900000000, -0.0026260800000000 ] - [ 0.0010710700000000, 0.0001337700000000, 0.0039597600000000 ] - [ 0.0010447000000000, 0.0050050700000000, 0.0002903300000000 ] - [ 0.0070109900000000, -0.0026157000000000, 0.0085922900000000 ] - [ -0.0022862900000000, 0.0013934400000000, -0.0073775600000000 ] - [ -0.0002951300000000, -0.0007976200000000, 0.0016697600000000 ] - [ -0.0020270200000000, -0.0012346700000000, 0.0013018300000000 ] - [ -0.0011081100000000, 0.0004137600000000, 0.0002070400000000 ] - [ 0.0014619400000000, -0.0006701100000000, 0.0000071300000000 ] - [ -0.0001353400000000, -0.0007126800000000, 0.0000845300000000 ] - [ 0.0006304200000000, -0.0001597400000000, 0.0002734600000000 ] - [ -0.0009882400000000, 0.0002073900000000, -0.0001367800000000 ] - [ -0.0005638600000000, -0.0002453800000000, 0.0000145700000000 ] - [ 0.0014793900000000, -0.0001027900000000, 0.0007402300000000 ] - [ -0.0000459300000000, 0.0009117500000000, -0.0003551000000000 ] - [ 0.0005748400000000, -0.0011714800000000, 0.0002404200000000 ] - [ -0.0009422200000000, 0.0028763300000000, -0.0018540300000000 ] - [ -0.0022877200000000, -0.0028487700000000, -0.0009794400000000 ] - [ 0.0007797700000000, 0.0000043600000000, 0.0010492600000000 ] - [ -0.0009529200000000, 0.0006755500000000, -0.0020190400000000 ] - [ -0.0001300000000000, -0.0004532200000000, 0.0002773900000000 ] - [ 0.0009949300000000, 0.0005023700000000, 0.0003106700000000 ] - [ -0.0005608900000000, 0.0007951300000000, -0.0002686900000000 ] - [ 0.0006653100000000, -0.0013982500000000, 0.0019632000000000 ] - [ -0.0036400400000000, 0.0000624400000000, 0.0005903300000000 ] - [ 0.0000350300000000, -0.0007248100000000, -0.0006200400000000 ] - [ -0.0003716000000000, 0.0014538900000000, 0.0018608500000000 ] - [ 0.0003642700000000, -0.0001916100000000, -0.0017635600000000 ] - [ -0.0014144500000000, 0.0004050000000000, 0.0021255800000000 ] - [ -0.0001292600000000, -0.0008275000000000, -0.0011016800000000 ] - [ 0.0013097400000000, -0.0005174100000000, -0.0014414800000000 ] - [ -0.0005024500000000, 0.0002715400000000, 0.0036332500000000 ] - [ 0.0005698300000000, 0.0004431100000000, 0.0016703900000000 ] - [ -0.0003597700000000, -0.0011128000000000, -0.0010417400000000 ] - [ 0.0010548500000000, -0.0012691300000000, -0.0000198700000000 ] - [ -0.0015169400000000, 0.0005819000000000, 0.0027605100000000 ] - [ -0.0006410000000000, -0.0001693300000000, 0.0015027600000000 ] - [ 0.0009262500000000, 0.0003379600000000, -0.0006478300000000 ] - [ 0.0002825000000000, 0.0019019800000000, -0.0002753400000000 ] - [ 0.0005996500000000, -0.0013087200000000, -0.0004519500000000 ] - [ 0.0004936200000000, -0.0002204300000000, 0.0017386800000000 ] - [ -0.0005840000000000, -0.0000829200000000, -0.0014629900000000 ] - [ -0.0005012300000000, -0.0014624300000000, 0.0018939900000000 ] - [ -0.0012899900000000, -0.0001051200000000, -0.0021323200000000 ] - [ 0.0032205100000000, -0.0010490800000000, 0.0033612000000000 ] - [ -0.0003114100000000, 0.0008742000000000, -0.0018038100000000 ] - [ 0.0001573800000000, 0.0002334300000000, -0.0019320700000000 ] - [ 0.0007204000000000, 0.0003925200000000, -0.0005783800000000 ] - [ -0.0014559700000000, -0.0005095300000000, 0.0007063300000000 ] - [ 0.0002991000000000, 0.0005879000000000, -0.0009814600000000 ] - [ -0.0003564200000000, 0.0014620200000000, -0.0014242800000000 ] - [ 0.0005441600000000, -0.0022175400000000, 0.0001709100000000 ] - [ 0.0002060800000000, 0.0011928400000000, 0.0007064400000000 ] - [ -0.0002081200000000, -0.0012304100000000, -0.0004456700000000 ] - [ 0.0004057700000000, 0.0009769300000000, 0.0016323800000000 ] - [ -0.0012150800000000, -0.0001711100000000, -0.0009276200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019310500000000, -0.0005540200000000, 0.0201705200000000 ] - [ 0.0002780300000000, -0.0000723000000000, -0.0008615700000000 ] - [ 0.0020068900000000, -0.0022785100000000, -0.0023588100000000 ] - [ 0.0023743000000000, 0.0019799400000000, -0.0023726200000000 ] - [ -0.0007174000000000, -0.0004196500000000, 0.0009552800000000 ] - [ 0.0000529900000000, -0.0001820700000000, -0.0005361400000000 ] - [ 0.0002492100000000, 0.0001030000000000, 0.0002105500000000 ] - [ -0.0004257400000000, -0.0003850000000000, -0.0004268300000000 ] - [ -0.0008835400000000, -0.0000367700000000, 0.0045127400000000 ] - [ -0.0006846000000000, 0.0004370100000000, -0.0019088600000000 ] - [ 0.0001813000000000, 0.0010944200000000, -0.0000158300000000 ] - [ 0.0029093300000000, -0.0034678500000000, -0.0042231100000000 ] - [ 0.0005971000000000, -0.0002188600000000, 0.0027719200000000 ] - [ 0.0001544900000000, 0.0001089500000000, -0.0036082000000000 ] - [ -0.0032390000000000, 0.0001546600000000, -0.0007403300000000 ] - [ -0.0006881700000000, 0.0015210100000000, -0.0004098900000000 ] - [ -0.0017870300000000, 0.0005492500000000, 0.0029492600000000 ] - [ 0.0006205700000000, 0.0001262600000000, -0.0036548600000000 ] - [ -0.0012989400000000, -0.0033180300000000, 0.0000060200000000 ] - [ -0.0068300900000000, 0.0009295600000000, -0.0083877500000000 ] - [ 0.0025219600000000, 0.0003076200000000, 0.0071085900000000 ] - [ 0.0000378000000000, -0.0008902200000000, -0.0019794700000000 ] - [ 0.0036936300000000, 0.0009873400000000, -0.0016490300000000 ] - [ -0.0005758600000000, -0.0001564400000000, -0.0005060300000000 ] - [ -0.0009293500000000, 0.0024751700000000, 0.0000961100000000 ] - [ -0.0003972300000000, -0.0010923400000000, 0.0000310600000000 ] - [ 0.0011726000000000, -0.0003718800000000, -0.0001591600000000 ] - [ -0.0008147100000000, 0.0003244100000000, 0.0002527800000000 ] - [ -0.0012419000000000, -0.0002874700000000, -0.0001288500000000 ] - [ 0.0003287200000000, 0.0006302700000000, -0.0008511100000000 ] - [ -0.0004866600000000, 0.0008900900000000, 0.0002402100000000 ] - [ -0.0000451100000000, -0.0006316200000000, -0.0003564000000000 ] - [ 0.0021119200000000, -0.0011473700000000, 0.0009915200000000 ] - [ 0.0011502300000000, 0.0011186400000000, 0.0001348200000000 ] - [ 0.0009704600000000, -0.0011368500000000, -0.0019312000000000 ] - [ -0.0007966600000000, 0.0004771100000000, 0.0011430900000000 ] - [ -0.0016219900000000, -0.0007032500000000, 0.0006071100000000 ] - [ 0.0007498300000000, 0.0006491900000000, 0.0005602800000000 ] - [ -0.0005887200000000, 0.0009533200000000, 0.0011442600000000 ] - [ 0.0004848100000000, -0.0003533900000000, -0.0010969200000000 ] - [ 0.0020092100000000, -0.0005181400000000, 0.0002016000000000 ] - [ 0.0016168600000000, 0.0011838800000000, 0.0014571000000000 ] - [ -0.0000879300000000, 0.0002026900000000, -0.0010253000000000 ] - [ 0.0000897600000000, -0.0014558500000000, 0.0025962700000000 ] - [ 0.0018025200000000, 0.0012294000000000, -0.0029347700000000 ] - [ -0.0003297000000000, -0.0008250800000000, 0.0002704100000000 ] - [ 0.0003386700000000, 0.0000594400000000, 0.0006159000000000 ] - [ -0.0010757000000000, 0.0001445700000000, -0.0045349700000000 ] - [ 0.0000670800000000, 0.0013807700000000, -0.0014072800000000 ] - [ -0.0002685900000000, -0.0007291200000000, 0.0013115300000000 ] - [ 0.0007827300000000, 0.0006405600000000, 0.0002913600000000 ] - [ -0.0003586800000000, 0.0000074200000000, -0.0028175800000000 ] - [ -0.0011929100000000, -0.0004541500000000, -0.0017803600000000 ] - [ 0.0009132300000000, 0.0002870800000000, 0.0003825400000000 ] - [ -0.0009039200000000, -0.0000653800000000, 0.0000161400000000 ] - [ 0.0000246700000000, -0.0005294600000000, 0.0001824600000000 ] - [ 0.0004739300000000, 0.0000504800000000, -0.0003434000000000 ] - [ -0.0003968600000000, 0.0002589300000000, 0.0028745800000000 ] - [ 0.0003251600000000, 0.0004872800000000, -0.0004766600000000 ] - [ 0.0014702700000000, 0.0010794500000000, 0.0035506800000000 ] - [ -0.0030185300000000, 0.0000619900000000, -0.0048058500000000 ] - [ 0.0001366400000000, 0.0000976000000000, 0.0003940000000000 ] - [ -0.0011157600000000, -0.0004053900000000, 0.0005328000000000 ] - [ 0.0002529500000000, -0.0002179900000000, -0.0008383300000000 ] - [ -0.0004048300000000, -0.0001433300000000, -0.0011006300000000 ] - [ 0.0015640100000000, 0.0000654900000000, 0.0005869600000000 ] - [ -0.0003008400000000, 0.0004060800000000, 0.0010294600000000 ] - [ 0.0001116600000000, 0.0003664500000000, -0.0005755700000000 ] - [ 0.0004475200000000, 0.0006669200000000, -0.0003168600000000 ] - [ -0.0004470300000000, -0.0006275900000000, 0.0008459800000000 ] - [ 0.0014561900000000, -0.0016491200000000, -0.0012302600000000 ] - [ -0.0006441800000000, 0.0008307800000000, 0.0013249200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0114179300000000, -0.0035600200000000, 0.0013711500000000 ] - [ 0.0013537500000000, -0.0000355200000000, -0.0002174700000000 ] - [ 0.0008864700000000, 0.0015084800000000, 0.0039229800000000 ] - [ 0.0038672200000000, -0.0005785100000000, 0.0015551800000000 ] - [ -0.0033898600000000, -0.0015639900000000, -0.0004294700000000 ] - [ 0.0001609800000000, -0.0003609900000000, -0.0000319900000000 ] - [ -0.0025321300000000, -0.0013714600000000, -0.0006501600000000 ] - [ -0.0030219100000000, 0.0003523200000000, 0.0024306400000000 ] - [ -0.1664471100000000, 0.0129618100000000, 0.0072583400000000 ] - [ -0.0009128900000000, -0.0001483300000000, -0.0007704100000000 ] - [ 0.0034235700000000, 0.0001421500000000, 0.0025656100000000 ] - [ 0.0062936300000000, -0.0001416400000000, 0.0018983600000000 ] - [ 0.0084905200000000, 0.0025854600000000, 0.0008549800000000 ] - [ 0.0017445500000000, -0.0017171400000000, -0.0007916800000000 ] - [ 0.0053233300000000, 0.0076170100000000, -0.0160211700000000 ] - [ -0.0123246600000000, 0.0009045500000000, -0.0000503300000000 ] - [ 0.0145611300000000, 0.0303980100000000, -0.0069635600000000 ] - [ 0.0044496000000000, 0.0001152200000000, -0.0007349000000000 ] - [ 0.0052512700000000, -0.0023177400000000, -0.0035300800000000 ] - [ 0.0157311600000000, 0.0006823800000000, -0.0193681100000000 ] - [ 0.0271311400000000, 0.0161954000000000, -0.0021912000000000 ] - [ -0.0026993900000000, -0.0017668100000000, 0.0000865300000000 ] - [ -0.0104485700000000, -0.0101200700000000, 0.0111462300000000 ] - [ -0.0003454700000000, -0.0007302100000000, 0.0025669700000000 ] - [ 0.0020532000000000, 0.0022242800000000, -0.0002195300000000 ] - [ -0.0003353600000000, -0.0010183700000000, -0.0000999100000000 ] - [ -0.0004491700000000, 0.0007093700000000, 0.0007351700000000 ] - [ 0.0022846300000000, -0.0032696900000000, 0.0048602100000000 ] - [ 0.0001704700000000, 0.0007123400000000, -0.0002312500000000 ] - [ 0.0015725300000000, 0.0005406700000000, -0.0001201500000000 ] - [ 0.0053991700000000, -0.0043437600000000, -0.0047155200000000 ] - [ -0.0011910400000000, -0.0000054300000000, -0.0007847000000000 ] - [ -0.0007744400000000, -0.0032193000000000, 0.0041960400000000 ] - [ -0.0050043300000000, 0.0013522400000000, 0.0010941600000000 ] - [ -0.0095267000000000, -0.0063307200000000, 0.0009896600000000 ] - [ -0.0036633200000000, 0.0004776700000000, -0.0001885700000000 ] - [ 0.0082033200000000, -0.0003817600000000, -0.0000604800000000 ] - [ 0.0011185500000000, 0.0025008400000000, -0.0006795100000000 ] - [ 0.0004140300000000, 0.0019069700000000, 0.0002831600000000 ] - [ -0.0043519600000000, -0.0090091700000000, 0.0014968500000000 ] - [ 0.0121676500000000, -0.0110001200000000, -0.0107911100000000 ] - [ 0.0001655400000000, 0.0009773000000000, 0.0015571700000000 ] - [ -0.0017662900000000, -0.0092120800000000, -0.0042167500000000 ] - [ -0.0010147900000000, -0.0008182000000000, 0.0004362900000000 ] - [ 0.0190196900000000, -0.0069667600000000, 0.0115898700000000 ] - [ -0.0004367200000000, -0.0010125800000000, -0.0015861900000000 ] - [ 0.0015035000000000, -0.0003111900000000, -0.0014286400000000 ] - [ -0.0096443200000000, -0.0008845000000000, -0.0049039400000000 ] - [ 0.0341036900000000, 0.0163158500000000, 0.0095633200000000 ] - [ -0.0014900100000000, -0.0015403900000000, 0.0001585800000000 ] - [ -0.0030194700000000, 0.0010861400000000, 0.0006442400000000 ] - [ -0.0078222700000000, 0.0022104800000000, 0.0020096700000000 ] - [ 0.0124479300000000, 0.0160616300000000, 0.0049110700000000 ] - [ 0.0026778100000000, 0.0012746300000000, 0.0001127900000000 ] - [ 0.0005567800000000, 0.0048904100000000, -0.0024454200000000 ] - [ -0.0004458600000000, -0.0004641000000000, -0.0010946400000000 ] - [ 0.0022008100000000, -0.0066854500000000, 0.0080378500000000 ] - [ -0.0017821700000000, -0.0001493000000000, 0.0021057600000000 ] - [ -0.0043320000000000, 0.0023991100000000, 0.0021896200000000 ] - [ -0.0000464600000000, 0.0020263100000000, 0.0086471200000000 ] - [ -0.0076853000000000, -0.0033950700000000, 0.0026504100000000 ] - [ 0.0008069400000000, 0.0003816000000000, -0.0002465200000000 ] - [ 0.0003112200000000, 0.0009082500000000, -0.0055607500000000 ] - [ -0.0013820000000000, 0.0012103200000000, -0.0021015400000000 ] - [ 0.0334789100000000, -0.0202212300000000, -0.0244319800000000 ] - [ 0.0031051800000000, -0.0008354500000000, -0.0012653300000000 ] - [ -0.0014290800000000, 0.0010625500000000, -0.0000320900000000 ] - [ -0.0022838000000000, -0.0023086400000000, -0.0001149100000000 ] - [ 0.0205180500000000, -0.0150445700000000, 0.0108426800000000 ] - [ 0.0020026000000000, -0.0015277200000000, 0.0032424300000000 ] - [ -0.0027864300000000, -0.0012767000000000, 0.0006623300000000 ] - [ -0.0015831600000000, 0.0009529800000000, 0.0003965300000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0118255700000000, 0.0037973200000000, -0.0013463300000000 ] - [ -0.0008578100000000, -0.0002374400000000, 0.0002254600000000 ] - [ -0.0006224600000000, -0.0010113100000000, -0.0038988700000000 ] - [ -0.0041474800000000, 0.0000902200000000, -0.0015653900000000 ] - [ 0.0030968500000000, 0.0020797000000000, 0.0004219600000000 ] - [ 0.0001145700000000, -0.0001364300000000, 0.0000240900000000 ] - [ 0.0030308500000000, 0.0016419900000000, 0.0006391300000000 ] - [ 0.0025377800000000, -0.0006218900000000, -0.0024347000000000 ] - [ 0.1667643800000000, -0.0148212200000000, -0.0085113200000000 ] - [ -0.0000026000000000, 0.0010700900000000, 0.0007733200000000 ] - [ -0.0043617200000000, -0.0010583600000000, -0.0025537500000000 ] - [ -0.0053737600000000, 0.0010586200000000, -0.0019143400000000 ] - [ -0.0080159200000000, -0.0030497300000000, -0.0008609400000000 ] - [ -0.0022268200000000, 0.0021915400000000, 0.0007884900000000 ] - [ -0.0057793400000000, -0.0080728200000000, 0.0161054500000000 ] - [ 0.0127413300000000, -0.0004626800000000, 0.0000714000000000 ] - [ -0.0161612200000000, -0.0305502300000000, 0.0073000000000000 ] - [ -0.0027643000000000, 0.0001493400000000, 0.0010459200000000 ] - [ -0.0055029000000000, 0.0040088400000000, 0.0038509300000000 ] - [ -0.0155144000000000, -0.0024474800000000, 0.0196312500000000 ] - [ -0.0268685300000000, -0.0146577100000000, 0.0018284000000000 ] - [ 0.0024324000000000, 0.0000809300000000, -0.0003940000000000 ] - [ 0.0121837500000000, 0.0099181000000000, -0.0115212600000000 ] - [ -0.0013212600000000, 0.0009849700000000, -0.0028767500000000 ] - [ -0.0015167600000000, -0.0004201800000000, 0.0003422100000000 ] - [ -0.0002066400000000, -0.0007934900000000, 0.0002185100000000 ] - [ 0.0022645000000000, -0.0012522500000000, -0.0006154100000000 ] - [ -0.0040728400000000, 0.0038803600000000, -0.0047839900000000 ] - [ -0.0019815100000000, -0.0012501600000000, 0.0001106200000000 ] - [ 0.0002382100000000, -0.0000011600000000, 0.0000026300000000 ] - [ -0.0059913000000000, 0.0062263900000000, 0.0047365400000000 ] - [ 0.0017293400000000, -0.0018088600000000, 0.0006639300000000 ] - [ 0.0019437300000000, 0.0050118900000000, -0.0050550300000000 ] - [ 0.0038319700000000, -0.0031403900000000, -0.0019792200000000 ] - [ 0.0113244600000000, 0.0051700100000000, -0.0018752800000000 ] - [ 0.0018843000000000, 0.0006761900000000, -0.0006892500000000 ] - [ -0.0100104800000000, -0.0007746100000000, 0.0009374700000000 ] - [ 0.0006532700000000, -0.0013333800000000, 0.0015520600000000 ] - [ -0.0015656100000000, -0.0001296400000000, 0.0005942900000000 ] - [ 0.0054851600000000, 0.0072217600000000, -0.0006101400000000 ] - [ -0.0135643200000000, 0.0101841000000000, 0.0109770100000000 ] - [ 0.0014846100000000, -0.0005262400000000, -0.0007163500000000 ] - [ 0.0013061800000000, 0.0108452900000000, 0.0050496300000000 ] - [ 0.0014657200000000, -0.0008391100000000, 0.0004109800000000 ] - [ -0.0185297200000000, 0.0082969600000000, -0.0119693000000000 ] - [ -0.0000219600000000, -0.0006457800000000, 0.0007394000000000 ] - [ 0.0001568300000000, -0.0001442900000000, 0.0005813000000000 ] - [ 0.0079709100000000, 0.0013623500000000, 0.0040654900000000 ] - [ -0.0318418400000000, -0.0129417700000000, -0.0088940200000000 ] - [ 0.0008798400000000, -0.0002837700000000, 0.0001081200000000 ] - [ 0.0048397400000000, -0.0016942100000000, -0.0003818900000000 ] - [ 0.0060346600000000, -0.0015979200000000, -0.0017321000000000 ] - [ -0.0147753600000000, -0.0176532500000000, -0.0053689700000000 ] - [ -0.0008549000000000, -0.0006666900000000, -0.0003800000000000 ] - [ -0.0011610200000000, -0.0031016400000000, 0.0021851200000000 ] - [ 0.0010450900000000, -0.0013532200000000, 0.0008305900000000 ] - [ -0.0012394500000000, 0.0064994800000000, -0.0066485100000000 ] - [ 0.0008302800000000, 0.0003053400000000, -0.0007508700000000 ] - [ 0.0041730100000000, -0.0033528700000000, -0.0008392800000000 ] - [ 0.0002103500000000, -0.0010712500000000, -0.0073057600000000 ] - [ 0.0078323900000000, 0.0024788800000000, -0.0040150200000000 ] - [ -0.0009603700000000, 0.0005682700000000, -0.0011116400000000 ] - [ -0.0012595700000000, -0.0010664900000000, 0.0042334700000000 ] - [ 0.0023171800000000, -0.0010534700000000, 0.0007470200000000 ] - [ -0.0362962600000000, 0.0203484400000000, 0.0253962700000000 ] - [ -0.0012527100000000, 0.0014957600000000, 0.0008575300000000 ] - [ 0.0007706000000000, 0.0007900600000000, -0.0003673000000000 ] - [ 0.0029431000000000, 0.0004571200000000, -0.0002799000000000 ] - [ -0.0197734600000000, 0.0171220500000000, -0.0106916600000000 ] - [ -0.0026675100000000, -0.0003224200000000, -0.0028424000000000 ] - [ 0.0046409000000000, 0.0006253400000000, -0.0002675900000000 ] - [ -0.0002685600000000, -0.0002918600000000, 0.0000025400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012281600000000, -0.0004434800000000, -0.0044976900000000 ] - [ 0.0000207600000000, -0.0003777600000000, 0.0019107900000000 ] - [ 0.0038169000000000, 0.0032407200000000, 0.0042252200000000 ] - [ 0.0014414200000000, -0.0004120300000000, 0.0000163000000000 ] - [ -0.0007254700000000, 0.0017453300000000, -0.0044978100000000 ] - [ -0.0001062200000000, -0.0004794000000000, 0.0019027400000000 ] - [ 0.0000841500000000, 0.0017192200000000, -0.0000025200000000 ] - [ 0.0027241900000000, 0.0035075900000000, 0.0041996000000000 ] - [ 0.0084953400000000, 0.0072786700000000, -0.1742744400000000 ] - [ 0.0002969700000000, 0.0012461400000000, 0.0083010400000000 ] - [ 0.0020986600000000, -0.0023727700000000, 0.0006466100000000 ] - [ -0.0014395600000000, 0.0030210900000000, 0.0006710700000000 ] - [ 0.0011193600000000, 0.0006539100000000, -0.0060649300000000 ] - [ 0.0004295900000000, 0.0008871100000000, 0.0094631700000000 ] - [ -0.0135714400000000, -0.0061781700000000, 0.0113619200000000 ] - [ -0.0057050400000000, -0.0129888800000000, 0.0113421600000000 ] - [ -0.0009373300000000, 0.0056278000000000, -0.0087552700000000 ] - [ 0.0003146300000000, 0.0001328700000000, 0.0063297300000000 ] - [ -0.0012334700000000, 0.0042114000000000, 0.0029544400000000 ] - [ -0.0209211700000000, -0.0030917000000000, 0.0275479500000000 ] - [ 0.0060069400000000, 0.0008002100000000, -0.0091060800000000 ] - [ -0.0001231400000000, -0.0013757000000000, 0.0060188500000000 ] - [ -0.0012823100000000, -0.0212906900000000, 0.0273142300000000 ] - [ 0.0025288100000000, -0.0009713800000000, 0.0026632500000000 ] - [ 0.0001815700000000, 0.0007600300000000, 0.0001066600000000 ] - [ -0.0002479200000000, -0.0007126100000000, 0.0001394900000000 ] - [ 0.0002951600000000, 0.0001209900000000, 0.0013277600000000 ] - [ 0.0023004600000000, -0.0001465200000000, -0.0020513600000000 ] - [ -0.0010536100000000, -0.0003603400000000, -0.0000103400000000 ] - [ 0.0010975000000000, 0.0002902600000000, 0.0000185400000000 ] - [ -0.0006975500000000, 0.0041162700000000, -0.0021285300000000 ] - [ 0.0006655900000000, -0.0015206400000000, 0.0012014800000000 ] - [ 0.0050198000000000, 0.0058272700000000, -0.0056392400000000 ] - [ 0.0018060200000000, -0.0028693700000000, -0.0019780400000000 ] - [ -0.0009222100000000, -0.0023862900000000, 0.0018944300000000 ] - [ -0.0005470200000000, 0.0006482800000000, -0.0029984900000000 ] - [ 0.0040541500000000, 0.0038987400000000, -0.0047812700000000 ] - [ -0.0010917900000000, 0.0029638900000000, -0.0011118400000000 ] - [ -0.0005043300000000, 0.0012344400000000, -0.0021217200000000 ] - [ -0.0012644000000000, -0.0027450500000000, 0.0027819300000000 ] - [ -0.0110319500000000, 0.0147024800000000, 0.0217512300000000 ] - [ 0.0006529500000000, -0.0006808700000000, -0.0018034100000000 ] - [ -0.0011172600000000, 0.0009693200000000, 0.0036959500000000 ] - [ -0.0000418000000000, 0.0002029400000000, -0.0031057500000000 ] - [ 0.0160415500000000, -0.0104619800000000, 0.0221612300000000 ] - [ -0.0011308500000000, -0.0010159400000000, -0.0026635500000000 ] - [ 0.0018605100000000, -0.0004949100000000, -0.0039499700000000 ] - [ -0.0007341000000000, -0.0006686800000000, 0.0028195500000000 ] - [ 0.0074211100000000, 0.0036407400000000, 0.0093935200000000 ] - [ -0.0000346300000000, -0.0010200300000000, -0.0021028900000000 ] - [ 0.0016762900000000, -0.0016778900000000, -0.0006047400000000 ] - [ 0.0099078700000000, -0.0027146000000000, -0.0026002100000000 ] - [ 0.0018860700000000, 0.0069245200000000, 0.0092439000000000 ] - [ 0.0007945600000000, 0.0005625600000000, -0.0023676600000000 ] - [ -0.0033357700000000, 0.0117324700000000, -0.0028633400000000 ] - [ -0.0010722100000000, -0.0001394900000000, -0.0008774500000000 ] - [ 0.0043826700000000, -0.0007564100000000, 0.0071862500000000 ] - [ 0.0013094200000000, -0.0001791800000000, -0.0030249300000000 ] - [ 0.0025787200000000, -0.0042180900000000, 0.0011095800000000 ] - [ 0.0010212100000000, -0.0024122900000000, -0.0107925100000000 ] - [ -0.0006172000000000, 0.0034365000000000, 0.0058647900000000 ] - [ -0.0003384800000000, 0.0022549500000000, -0.0043834200000000 ] - [ -0.0033759000000000, 0.0008783600000000, -0.0121332300000000 ] - [ -0.0032622700000000, 0.0027325600000000, -0.0002557600000000 ] - [ -0.0338555800000000, 0.0189713800000000, 0.0395617500000000 ] - [ -0.0013134500000000, 0.0012831200000000, -0.0063119000000000 ] - [ -0.0012054400000000, 0.0009190800000000, -0.0015698100000000 ] - [ 0.0005221700000000, -0.0015970100000000, 0.0010077900000000 ] - [ 0.0188035100000000, -0.0305290100000000, 0.0389841400000000 ] - [ 0.0006424400000000, -0.0031719800000000, -0.0059289700000000 ] - [ 0.0002533700000000, -0.0001420300000000, 0.0014146000000000 ] - [ -0.0009397200000000, -0.0005400300000000, -0.0011745400000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015373400000000, 0.0003458100000000, -0.0003621200000000 ] - [ -0.0010771600000000, 0.0003279100000000, 0.0003941600000000 ] - [ 0.0005756300000000, 0.0009781900000000, -0.0012767600000000 ] - [ -0.0030070300000000, -0.0011661400000000, 0.0003939900000000 ] - [ 0.0058492500000000, -0.0014363400000000, -0.0000222000000000 ] - [ -0.0003647800000000, 0.0004094500000000, -0.0001257200000000 ] - [ 0.0061431700000000, -0.0000477600000000, 0.0030275900000000 ] - [ 0.0008981700000000, 0.0005108300000000, -0.0009234800000000 ] - [ 0.0087135600000000, 0.0023500300000000, 0.0008887000000000 ] - [ 0.0015143600000000, -0.0014892700000000, -0.0006600100000000 ] - [ 0.0051097900000000, -0.0011214000000000, -0.0132411000000000 ] - [ -0.0120711700000000, -0.0073907500000000, 0.0059471400000000 ] - [ -0.1619328800000000, 0.0055934000000000, -0.0054936800000000 ] - [ 0.0011948700000000, -0.0015075900000000, 0.0006108400000000 ] - [ 0.0003892600000000, -0.0008626600000000, 0.0026314300000000 ] - [ 0.0084086800000000, 0.0008588900000000, 0.0028493600000000 ] - [ 0.0357942200000000, 0.0094179300000000, -0.0009284900000000 ] - [ -0.0013969600000000, -0.0007858700000000, 0.0002025600000000 ] - [ -0.0155873300000000, -0.0021322700000000, 0.0125536500000000 ] - [ 0.0027591000000000, 0.0003539800000000, 0.0007934700000000 ] - [ -0.0062482700000000, 0.0357885100000000, -0.0025008600000000 ] - [ 0.0037301000000000, -0.0002283600000000, 0.0000436000000000 ] - [ 0.0052740200000000, -0.0016663000000000, -0.0006137300000000 ] - [ 0.0091084600000000, 0.0082361800000000, -0.0247682600000000 ] - [ -0.0061020300000000, 0.0010101800000000, 0.0039201800000000 ] - [ 0.0007247500000000, -0.0004124700000000, 0.0012191000000000 ] - [ 0.0013841400000000, -0.0004788500000000, 0.0000190900000000 ] - [ 0.0027525000000000, -0.0032065000000000, -0.0005737900000000 ] - [ 0.0064653200000000, -0.0029437700000000, 0.0052374700000000 ] - [ 0.0000850200000000, -0.0005461200000000, -0.0007987000000000 ] - [ 0.0012858700000000, -0.0019290100000000, 0.0005275400000000 ] - [ 0.0007929400000000, -0.0011491100000000, 0.0000336700000000 ] - [ -0.0004955300000000, -0.0001736900000000, -0.0014963800000000 ] - [ 0.0028897400000000, 0.0025173400000000, -0.0028494400000000 ] - [ 0.0156942500000000, 0.0184291400000000, 0.0013779000000000 ] - [ 0.0007016600000000, 0.0012194900000000, -0.0004219300000000 ] - [ -0.0037812200000000, -0.0006763300000000, -0.0000963500000000 ] - [ -0.0053805600000000, 0.0001075900000000, 0.0034560300000000 ] - [ -0.0020712800000000, 0.0003537700000000, 0.0003914400000000 ] - [ 0.0362276100000000, 0.0123356700000000, 0.0027901900000000 ] - [ -0.0028240900000000, -0.0005572500000000, 0.0007726600000000 ] - [ 0.0014191500000000, 0.0008527900000000, -0.0039336100000000 ] - [ -0.0089208600000000, 0.0014894500000000, 0.0053410800000000 ] - [ 0.0012919200000000, -0.0007477200000000, 0.0005662200000000 ] - [ -0.0016266400000000, 0.0007626400000000, -0.0002949200000000 ] - [ -0.0009531900000000, 0.0010902200000000, 0.0076891800000000 ] - [ -0.0006319300000000, -0.0003894400000000, 0.0007669600000000 ] - [ 0.0071387100000000, -0.0052121200000000, 0.0056769100000000 ] - [ -0.0089461100000000, -0.0067394900000000, 0.0015210000000000 ] - [ 0.0007964000000000, 0.0004186800000000, 0.0002261500000000 ] - [ 0.0092261200000000, -0.0038136300000000, -0.0000333100000000 ] - [ -0.0013369900000000, 0.0020586100000000, -0.0005133500000000 ] - [ -0.0062859400000000, -0.0088176300000000, 0.0013350900000000 ] - [ -0.0017193800000000, -0.0006650100000000, -0.0004728800000000 ] - [ -0.0034054500000000, 0.0028715900000000, 0.0007387800000000 ] - [ 0.0042517800000000, -0.0069536600000000, 0.0044345800000000 ] - [ -0.0094513700000000, -0.0006451400000000, -0.0043453300000000 ] - [ 0.0005441400000000, 0.0006536700000000, 0.0002132700000000 ] - [ 0.0189406500000000, -0.0111264800000000, 0.0111386300000000 ] - [ -0.0010246400000000, 0.0003556100000000, 0.0000859200000000 ] - [ 0.0057462200000000, -0.0065471000000000, -0.0064477900000000 ] - [ -0.0018480500000000, 0.0001973600000000, -0.0014734000000000 ] - [ -0.0016835500000000, 0.0002601000000000, -0.0008005800000000 ] - [ 0.0182957800000000, -0.0143667400000000, -0.0141476500000000 ] - [ -0.0030791600000000, 0.0012062600000000, -0.0007696100000000 ] - [ -0.0004712000000000, 0.0008844300000000, -0.0001772000000000 ] - [ -0.0003534900000000, 0.0021558800000000, 0.0019491500000000 ] - [ 0.0309202700000000, -0.0065557000000000, 0.0178545300000000 ] - [ -0.0045053300000000, 0.0025737800000000, 0.0006248100000000 ] - [ -0.0010559800000000, -0.0005467000000000, -0.0001395400000000 ] - [ 0.0204128500000000, -0.0150973200000000, -0.0156183000000000 ] - [ -0.0022735400000000, 0.0011563300000000, -0.0039235300000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010448900000000, -0.0000723200000000, 0.0003728200000000 ] - [ 0.0015784400000000, -0.0006014400000000, -0.0003861900000000 ] - [ -0.0002987300000000, -0.0004861800000000, 0.0012892900000000 ] - [ 0.0027316200000000, 0.0006822300000000, -0.0003792700000000 ] - [ -0.0061305500000000, 0.0019547600000000, 0.0000073300000000 ] - [ 0.0006334300000000, -0.0009076100000000, 0.0001168400000000 ] - [ -0.0056333800000000, 0.0003160600000000, -0.0030011000000000 ] - [ -0.0013974100000000, -0.0007827700000000, 0.0009120000000000 ] - [ -0.0077932500000000, -0.0032838700000000, -0.0008849200000000 ] - [ -0.0024555500000000, 0.0024180900000000, 0.0006570300000000 ] - [ -0.0059911500000000, 0.0002461200000000, 0.0133177000000000 ] - [ 0.0129949200000000, 0.0082976600000000, -0.0059347200000000 ] - [ 0.1623604800000000, -0.0065703500000000, 0.0066905800000000 ] - [ -0.0016480800000000, 0.0019675200000000, -0.0006112300000000 ] - [ -0.0008680300000000, 0.0004053600000000, -0.0026239000000000 ] - [ -0.0079560000000000, -0.0004098000000000, -0.0028781800000000 ] - [ -0.0376080400000000, -0.0099640200000000, 0.0012047500000000 ] - [ 0.0030849800000000, 0.0010487600000000, 0.0001061900000000 ] - [ 0.0153764300000000, 0.0038633500000000, -0.0123483900000000 ] - [ -0.0024875200000000, -0.0020523400000000, -0.0004866900000000 ] - [ 0.0065266400000000, -0.0340536200000000, 0.0021975600000000 ] - [ -0.0039949600000000, -0.0014533700000000, -0.0003501700000000 ] - [ -0.0035854300000000, 0.0014159700000000, 0.0003099900000000 ] - [ -0.0108306900000000, -0.0080491100000000, 0.0244176300000000 ] - [ 0.0066511200000000, 0.0007758100000000, -0.0038303600000000 ] - [ -0.0012607500000000, -0.0013949800000000, -0.0010981800000000 ] - [ 0.0004254100000000, -0.0000594600000000, 0.0000992800000000 ] - [ -0.0045715700000000, 0.0037385500000000, 0.0006758400000000 ] - [ -0.0083495200000000, 0.0024743000000000, -0.0055133000000000 ] - [ 0.0017234600000000, 0.0010821100000000, 0.0006756000000000 ] - [ -0.0018432100000000, 0.0037421700000000, -0.0006363700000000 ] - [ -0.0002546700000000, -0.0006618300000000, -0.0001518300000000 ] - [ 0.0016409200000000, 0.0019608500000000, 0.0006240900000000 ] - [ -0.0040496200000000, -0.0043164900000000, 0.0019817300000000 ] - [ -0.0147099400000000, -0.0207018600000000, -0.0023075700000000 ] - [ -0.0024797900000000, -0.0000670400000000, -0.0004538800000000 ] - [ 0.0020047300000000, -0.0004785300000000, 0.0009694500000000 ] - [ 0.0071851400000000, 0.0010600800000000, -0.0025670300000000 ] - [ 0.0009182100000000, 0.0014168600000000, 0.0004838400000000 ] - [ -0.0337545700000000, -0.0126269700000000, -0.0018284700000000 ] - [ 0.0011614900000000, 0.0001068300000000, 0.0000777400000000 ] - [ 0.0002489600000000, -0.0004010700000000, 0.0048156300000000 ] - [ 0.0085064500000000, 0.0002092800000000, -0.0045158800000000 ] - [ -0.0008414900000000, -0.0009125300000000, 0.0002825400000000 ] - [ 0.0020758800000000, 0.0008929500000000, -0.0005518900000000 ] - [ 0.0005057200000000, -0.0027471800000000, -0.0085568600000000 ] - [ 0.0022897800000000, -0.0000627500000000, -0.0016228600000000 ] - [ -0.0087787700000000, 0.0056429600000000, -0.0065083500000000 ] - [ 0.0095160400000000, 0.0085676500000000, -0.0012445300000000 ] - [ -0.0014022700000000, -0.0022390300000000, 0.0000399600000000 ] - [ -0.0074380900000000, 0.0032081900000000, 0.0003025800000000 ] - [ -0.0004921900000000, -0.0014423000000000, 0.0007788700000000 ] - [ 0.0044841300000000, 0.0082330800000000, -0.0016095000000000 ] - [ 0.0035421900000000, 0.0012714100000000, 0.0002031400000000 ] - [ 0.0027929200000000, -0.0010643600000000, -0.0010117600000000 ] - [ -0.0036328500000000, 0.0051365800000000, -0.0046938600000000 ] - [ 0.0104259600000000, 0.0005173000000000, 0.0057273800000000 ] - [ -0.0014948400000000, -0.0004944200000000, 0.0011489100000000 ] - [ -0.0190808900000000, 0.0098612400000000, -0.0093690200000000 ] - [ 0.0011796700000000, 0.0006007300000000, 0.0012795700000000 ] - [ -0.0055802900000000, 0.0055692500000000, 0.0050725800000000 ] - [ 0.0016876900000000, 0.0007528000000000, 0.0001137000000000 ] - [ 0.0007270500000000, -0.0004203400000000, -0.0005673300000000 ] - [ -0.0169668300000000, 0.0140823600000000, 0.0119516900000000 ] - [ 0.0012382700000000, -0.0018705100000000, 0.0003665600000000 ] - [ 0.0023268700000000, -0.0002223300000000, -0.0002205800000000 ] - [ -0.0003153300000000, -0.0002966400000000, -0.0023340300000000 ] - [ -0.0309440700000000, 0.0053584800000000, -0.0192489200000000 ] - [ 0.0051755700000000, -0.0007140300000000, -0.0002206100000000 ] - [ 0.0003970900000000, -0.0013089600000000, 0.0005380400000000 ] - [ -0.0186534500000000, 0.0148084600000000, 0.0164280500000000 ] - [ 0.0004112400000000, -0.0004957700000000, 0.0043112800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010069800000000, 0.0008776100000000, -0.0027639100000000 ] - [ 0.0005411300000000, 0.0002763200000000, 0.0036117100000000 ] - [ -0.0008347500000000, -0.0005544800000000, 0.0004160000000000 ] - [ 0.0005951800000000, 0.0039651700000000, 0.0007398500000000 ] - [ 0.0006011000000000, -0.0005092600000000, -0.0027698600000000 ] - [ 0.0005538500000000, 0.0000480700000000, 0.0036038300000000 ] - [ 0.0044758600000000, 0.0008702800000000, 0.0007209100000000 ] - [ -0.0010464100000000, -0.0011030100000000, 0.0004148700000000 ] - [ 0.0013223100000000, 0.0003931700000000, -0.0060653100000000 ] - [ 0.0003311100000000, 0.0012486200000000, 0.0094627800000000 ] - [ -0.0165829500000000, -0.0003729500000000, 0.0113632200000000 ] - [ 0.0004949500000000, -0.0155442700000000, 0.0113400700000000 ] - [ -0.0059508900000000, -0.0062278100000000, -0.1607474500000000 ] - [ -0.0008458300000000, -0.0003767100000000, 0.0061048100000000 ] - [ 0.0023976100000000, -0.0031003200000000, 0.0017818700000000 ] - [ -0.0026250600000000, 0.0028598800000000, 0.0017999000000000 ] - [ 0.0000727500000000, -0.0010609500000000, -0.0119419100000000 ] - [ 0.0012783100000000, -0.0005795700000000, 0.0069461000000000 ] - [ -0.0034484600000000, -0.0171362500000000, 0.0322790100000000 ] - [ 0.0030308700000000, -0.0010031600000000, 0.0007382400000000 ] - [ -0.0007927200000000, 0.0016077800000000, -0.0122415300000000 ] - [ -0.0008415400000000, -0.0004043600000000, 0.0066403100000000 ] - [ 0.0006876600000000, 0.0027703100000000, 0.0004100900000000 ] - [ -0.0186219800000000, -0.0033388200000000, 0.0318650900000000 ] - [ 0.0010218900000000, 0.0090575900000000, 0.0017440200000000 ] - [ 0.0005704600000000, -0.0002911300000000, 0.0010058000000000 ] - [ 0.0008301900000000, -0.0002491800000000, 0.0004302900000000 ] - [ -0.0058099100000000, 0.0044980300000000, -0.0020528900000000 ] - [ 0.0071339100000000, 0.0005303800000000, 0.0016060100000000 ] - [ 0.0015184700000000, 0.0011125100000000, 0.0008833000000000 ] - [ 0.0039584700000000, -0.0039999000000000, -0.0021770100000000 ] - [ 0.0002904500000000, -0.0009812700000000, 0.0003116200000000 ] - [ -0.0001325000000000, 0.0008247700000000, -0.0007141500000000 ] - [ 0.0002917000000000, 0.0081831800000000, -0.0044102200000000 ] - [ 0.0020250500000000, 0.0012579800000000, 0.0082074600000000 ] - [ -0.0012442100000000, 0.0005277200000000, -0.0024512900000000 ] - [ -0.0009563900000000, -0.0012820400000000, 0.0001686800000000 ] - [ 0.0099403300000000, 0.0014624200000000, -0.0035414400000000 ] - [ -0.0006258300000000, 0.0005278300000000, -0.0015754200000000 ] - [ 0.0022089400000000, 0.0000962700000000, 0.0090554500000000 ] - [ -0.0014696700000000, -0.0003364400000000, 0.0015370200000000 ] - [ -0.0036500600000000, 0.0011314100000000, -0.0112185000000000 ] - [ 0.0014199600000000, 0.0050457800000000, 0.0069545800000000 ] - [ -0.0001050000000000, 0.0014785300000000, -0.0036433900000000 ] - [ 0.0001112200000000, 0.0001856300000000, 0.0007008300000000 ] - [ 0.0006608500000000, -0.0052930800000000, -0.0120832500000000 ] - [ 0.0031456300000000, -0.0005577200000000, -0.0044946500000000 ] - [ 0.0033637900000000, 0.0018908100000000, 0.0060649800000000 ] - [ -0.0002727900000000, 0.0002817900000000, 0.0023784300000000 ] - [ -0.0003330900000000, -0.0008548200000000, -0.0026065200000000 ] - [ 0.0056376900000000, 0.0028995600000000, -0.0076543800000000 ] - [ -0.0028375600000000, 0.0022664500000000, -0.0002053300000000 ] - [ -0.0015174000000000, -0.0008325800000000, 0.0021036900000000 ] - [ 0.0009627200000000, 0.0002739000000000, -0.0028725200000000 ] - [ 0.0016565600000000, -0.0010178200000000, -0.0004630400000000 ] - [ 0.0034616500000000, 0.0038067200000000, -0.0078742400000000 ] - [ -0.0005293600000000, -0.0035804500000000, 0.0062029600000000 ] - [ -0.0000134000000000, -0.0001924700000000, -0.0032432300000000 ] - [ 0.0161239500000000, -0.0156535100000000, 0.0249535100000000 ] - [ -0.0003112000000000, 0.0003757900000000, -0.0005728100000000 ] - [ -0.0034390300000000, -0.0014630400000000, 0.0048706000000000 ] - [ -0.0003531700000000, 0.0009410300000000, -0.0046122000000000 ] - [ -0.0005779300000000, -0.0004690300000000, -0.0019342100000000 ] - [ -0.0135262600000000, 0.0154454400000000, 0.0223610200000000 ] - [ -0.0055074800000000, 0.0034393400000000, 0.0021331900000000 ] - [ 0.0010535000000000, -0.0004150500000000, -0.0018953600000000 ] - [ 0.0009307000000000, -0.0015144700000000, -0.0056319300000000 ] - [ 0.0207172700000000, -0.0103990800000000, 0.0267981900000000 ] - [ 0.0040991200000000, -0.0036484000000000, 0.0025225800000000 ] - [ -0.0010809800000000, -0.0007963800000000, -0.0014944400000000 ] - [ -0.0092647000000000, 0.0210972500000000, 0.0279596500000000 ] - [ -0.0033616500000000, 0.0015844500000000, -0.0052401300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0043142300000000, -0.0043162300000000, 0.0009528400000000 ] - [ -0.0012600000000000, -0.0000252000000000, -0.0002195900000000 ] - [ -0.0030369000000000, 0.0003528000000000, -0.0017747600000000 ] - [ 0.0029044900000000, -0.0038113600000000, -0.0041635600000000 ] - [ 0.0009270000000000, -0.0060422000000000, 0.0005354300000000 ] - [ 0.0007639400000000, 0.0000168900000000, -0.0000482800000000 ] - [ 0.0055092500000000, -0.0010866400000000, -0.0028426800000000 ] - [ 0.0010293200000000, 0.0000899200000000, 0.0002621000000000 ] - [ 0.0158288400000000, 0.0148837500000000, -0.0000677100000000 ] - [ 0.0031463300000000, -0.0004615100000000, 0.0005326700000000 ] - [ -0.0117871300000000, -0.0020107400000000, -0.0021692400000000 ] - [ 0.0009481900000000, 0.0036330500000000, -0.0033793300000000 ] - [ 0.0371087800000000, 0.0347960900000000, 0.0008335300000000 ] - [ -0.0024777000000000, 0.0008468700000000, -0.0004363800000000 ] - [ 0.0041947600000000, -0.0014485400000000, -0.0001498700000000 ] - [ 0.0102315900000000, 0.0032232500000000, 0.0178048500000000 ] - [ -0.6093858000000000, -0.0189824300000000, 0.0066412200000000 ] - [ -0.0006814500000000, -0.0003844200000000, -0.0002532800000000 ] - [ 0.0006743100000000, -0.0014691400000000, 0.0153305900000000 ] - [ -0.0058477600000000, 0.0014712800000000, 0.0031750100000000 ] - [ 0.0047633000000000, 0.0041358600000000, -0.0000213300000000 ] - [ 0.0024020400000000, -0.0022277900000000, 0.0006120200000000 ] - [ 0.0028022200000000, 0.0001467600000000, -0.0035122400000000 ] - [ 0.0079691900000000, 0.0037396800000000, -0.0071407800000000 ] - [ 0.0025597500000000, 0.0009752800000000, -0.0013596500000000 ] - [ -0.0012358600000000, -0.0017747500000000, 0.0003859600000000 ] - [ 0.0012258200000000, -0.0004141900000000, 0.0000364800000000 ] - [ 0.0030851100000000, -0.0015795400000000, 0.0005196700000000 ] - [ -0.0138278700000000, -0.0023154000000000, -0.0048599100000000 ] - [ 0.0007710900000000, 0.0002980300000000, 0.0002456100000000 ] - [ 0.0025688500000000, -0.0009578600000000, -0.0001946000000000 ] - [ 0.0002276600000000, -0.0008136600000000, -0.0001502200000000 ] - [ 0.0051954100000000, -0.0028710700000000, -0.0022746500000000 ] - [ -0.0022299700000000, 0.0018276100000000, -0.0036289000000000 ] - [ 0.3157318700000000, -0.0342035200000000, -0.0241079000000000 ] - [ 0.0004102000000000, 0.0005392000000000, -0.0003115900000000 ] - [ -0.0031811900000000, -0.0004380100000000, 0.0011081700000000 ] - [ -0.0058322100000000, 0.0007351500000000, 0.0004503500000000 ] - [ -0.0007805900000000, 0.0016265000000000, 0.0004737200000000 ] - [ -0.0018448000000000, -0.0036261600000000, 0.0003232400000000 ] - [ 0.0008748300000000, -0.0022913600000000, -0.0036586300000000 ] - [ -0.0011077900000000, 0.0000117100000000, -0.0035689900000000 ] - [ 0.0715307900000000, -0.0285581800000000, -0.0363791900000000 ] - [ 0.0004866500000000, -0.0007194500000000, 0.0008612400000000 ] - [ -0.0007373100000000, -0.0016188000000000, 0.0017674000000000 ] - [ -0.0020840400000000, -0.0007752300000000, 0.0017727600000000 ] - [ 0.0004983700000000, 0.0000590500000000, 0.0013140800000000 ] - [ -0.0023196400000000, 0.0000312100000000, -0.0012836900000000 ] - [ 0.0981756100000000, 0.0967803600000000, -0.0170217400000000 ] - [ -0.0002788400000000, -0.0003693400000000, 0.0006680400000000 ] - [ 0.0056211300000000, -0.0032707100000000, -0.0043284500000000 ] - [ 0.0031637200000000, -0.0014285200000000, 0.0009006400000000 ] - [ -0.0049664400000000, -0.0021879800000000, 0.0002232800000000 ] - [ -0.0009584700000000, -0.0000045900000000, -0.0002486900000000 ] - [ -0.0013035500000000, 0.0025557900000000, 0.0012582800000000 ] - [ -0.0017004500000000, -0.0015015300000000, 0.0012699800000000 ] - [ 0.0885552000000000, -0.0264476800000000, 0.0702886100000000 ] - [ -0.0004899400000000, 0.0004878800000000, 0.0004801400000000 ] - [ -0.0076854300000000, 0.0024279300000000, -0.0097115300000000 ] - [ 0.0007075600000000, -0.0003343100000000, -0.0004626900000000 ] - [ -0.0012053200000000, -0.0012677600000000, -0.0008133400000000 ] - [ -0.0005802200000000, 0.0015218400000000, -0.0032073300000000 ] - [ -0.0003361400000000, -0.0000305400000000, 0.0008017900000000 ] - [ -0.0095003400000000, -0.0014797400000000, 0.0072636200000000 ] - [ -0.0059890100000000, -0.0004309900000000, 0.0015529200000000 ] - [ -0.0001160700000000, 0.0001187900000000, -0.0011499000000000 ] - [ 0.0007447200000000, 0.0004765800000000, -0.0010830900000000 ] - [ 0.0089012500000000, -0.0094138300000000, 0.0096503100000000 ] - [ -0.0067058900000000, -0.0000177500000000, -0.0022290300000000 ] - [ -0.0016650600000000, -0.0005733800000000, 0.0003256900000000 ] - [ 0.0043189400000000, -0.0042955900000000, -0.0042535500000000 ] - [ 0.0008952900000000, 0.0004684500000000, 0.0018440400000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0038050800000000, 0.0045610200000000, -0.0009411900000000 ] - [ 0.0017491700000000, -0.0002477100000000, 0.0002341500000000 ] - [ 0.0033144100000000, 0.0001488900000000, 0.0017732100000000 ] - [ -0.0031740400000000, 0.0033072200000000, 0.0041620400000000 ] - [ -0.0011850300000000, 0.0065814100000000, -0.0005536200000000 ] - [ -0.0004905400000000, -0.0005111700000000, 0.0000414500000000 ] - [ -0.0050406400000000, 0.0013777900000000, 0.0028748200000000 ] - [ -0.0015232900000000, -0.0003643400000000, -0.0002727900000000 ] - [ -0.0148954400000000, -0.0159675600000000, 0.0000690400000000 ] - [ -0.0040675300000000, 0.0013850900000000, -0.0005279800000000 ] - [ 0.0108472900000000, 0.0011194400000000, 0.0022040800000000 ] - [ -0.0000268800000000, -0.0026935100000000, 0.0033616900000000 ] - [ -0.0362950600000000, -0.0350442100000000, -0.0008473200000000 ] - [ 0.0020075600000000, -0.0003804500000000, 0.0004377900000000 ] - [ -0.0046612700000000, 0.0009634400000000, 0.0001637600000000 ] - [ -0.0097115500000000, -0.0027761800000000, -0.0179489900000000 ] - [ 0.5839961600000000, 0.0232491000000000, -0.0029202700000000 ] - [ 0.0023605700000000, 0.0006436000000000, 0.0005658700000000 ] - [ -0.0009256200000000, 0.0031485900000000, -0.0149913600000000 ] - [ 0.0061121900000000, -0.0031459100000000, -0.0028567500000000 ] - [ -0.0045072200000000, -0.0024383800000000, -0.0002919400000000 ] - [ -0.0026365300000000, 0.0005349700000000, -0.0009133300000000 ] - [ -0.0011053800000000, -0.0004050700000000, 0.0032002700000000 ] - [ -0.0096712100000000, -0.0034753300000000, 0.0068150100000000 ] - [ -0.0020055200000000, 0.0008477300000000, 0.0014828100000000 ] - [ 0.0006937400000000, -0.0000422400000000, -0.0002597100000000 ] - [ 0.0005887700000000, -0.0001267500000000, 0.0000816200000000 ] - [ -0.0049276000000000, 0.0021296700000000, -0.0004065900000000 ] - [ 0.0119357100000000, 0.0017288200000000, 0.0047047800000000 ] - [ 0.0010384400000000, 0.0002405400000000, -0.0003647100000000 ] - [ -0.0031174700000000, 0.0027724200000000, 0.0000743400000000 ] - [ 0.0003150300000000, -0.0009985000000000, 0.0000324900000000 ] - [ -0.0040340200000000, 0.0046337500000000, 0.0013870500000000 ] - [ 0.0010764700000000, -0.0036072900000000, 0.0027423400000000 ] - [ -0.2918876400000000, 0.0303484200000000, 0.0211022000000000 ] - [ -0.0021833200000000, 0.0006129500000000, -0.0005652600000000 ] - [ 0.0013869300000000, -0.0007138000000000, -0.0002304600000000 ] - [ 0.0076245300000000, 0.0004201700000000, 0.0004393500000000 ] - [ -0.0003767400000000, 0.0001561600000000, 0.0004010500000000 ] - [ 0.0029944800000000, 0.0018338600000000, 0.0005537800000000 ] - [ -0.0025428400000000, 0.0018258800000000, 0.0044905600000000 ] - [ 0.0027647300000000, 0.0004408300000000, 0.0044074800000000 ] - [ -0.0712513300000000, 0.0299351700000000, 0.0369132500000000 ] - [ -0.0000325000000000, -0.0009373200000000, -0.0000167600000000 ] - [ 0.0011752700000000, 0.0032598100000000, -0.0025987100000000 ] - [ 0.0016367600000000, -0.0008818500000000, -0.0026176100000000 ] - [ 0.0011474900000000, -0.0005123000000000, -0.0021429500000000 ] - [ 0.0006697700000000, 0.0004180900000000, 0.0004439900000000 ] - [ -0.0973360600000000, -0.0973104400000000, 0.0178459100000000 ] - [ -0.0003253200000000, -0.0014502700000000, -0.0004032700000000 ] - [ -0.0037791800000000, 0.0026422200000000, 0.0045826300000000 ] - [ -0.0049807800000000, 0.0020339500000000, -0.0006335400000000 ] - [ 0.0031424600000000, 0.0015847100000000, -0.0004871400000000 ] - [ 0.0027665700000000, 0.0006092500000000, -0.0000243500000000 ] - [ 0.0006678400000000, -0.0007139700000000, -0.0015212200000000 ] - [ 0.0023148400000000, -0.0003274000000000, -0.0015336500000000 ] - [ -0.0872883500000000, 0.0270051400000000, -0.0703854600000000 ] - [ -0.0004600200000000, -0.0003277300000000, 0.0008801900000000 ] - [ 0.0075538100000000, -0.0033974700000000, 0.0110931600000000 ] - [ -0.0005530800000000, 0.0012824000000000, 0.0018190700000000 ] - [ 0.0013688700000000, 0.0003166500000000, -0.0005493900000000 ] - [ 0.0004120500000000, -0.0005618500000000, 0.0018165100000000 ] - [ -0.0006185100000000, -0.0001282100000000, -0.0021613400000000 ] - [ 0.0104902600000000, 0.0016195300000000, -0.0086403700000000 ] - [ 0.0041497800000000, -0.0002108300000000, -0.0019599600000000 ] - [ 0.0019632000000000, 0.0005456700000000, 0.0007581200000000 ] - [ -0.0014043900000000, 0.0013744200000000, 0.0006834500000000 ] - [ -0.0082173300000000, 0.0075798700000000, -0.0100073700000000 ] - [ 0.0073820400000000, 0.0018990200000000, 0.0026616500000000 ] - [ 0.0009985900000000, -0.0012758500000000, 0.0000678200000000 ] - [ -0.0024674700000000, 0.0036582800000000, 0.0046569600000000 ] - [ -0.0027441700000000, 0.0001979500000000, -0.0014504000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0071498100000000, 0.0095391700000000, -0.0006856000000000 ] - [ 0.0007500900000000, -0.0012548200000000, -0.0000034200000000 ] - [ -0.0007544900000000, -0.0030349100000000, -0.0069039000000000 ] - [ -0.0009269500000000, -0.0005331300000000, 0.0011702900000000 ] - [ -0.0064231000000000, 0.0137410000000000, -0.0024175200000000 ] - [ 0.0000659100000000, 0.0003030500000000, 0.0001632500000000 ] - [ -0.0039902000000000, -0.0020759400000000, 0.0011132300000000 ] - [ 0.0001200900000000, 0.0011068400000000, 0.0002798100000000 ] - [ 0.0308619700000000, 0.0265004400000000, 0.0058458200000000 ] - [ -0.0004763900000000, -0.0021005700000000, -0.0000082800000000 ] - [ 0.0095528200000000, 0.0151489200000000, 0.0211779200000000 ] - [ 0.0013333400000000, 0.0058512300000000, -0.0011242600000000 ] - [ 0.0099785600000000, -0.0066419300000000, -0.0009108300000000 ] - [ -0.0011534800000000, 0.0040940300000000, 0.0007029600000000 ] - [ 0.0013154800000000, 0.0024019000000000, -0.0029002700000000 ] - [ -0.0079232100000000, -0.0152344500000000, -0.0033974700000000 ] - [ -0.0155975200000000, -0.5807236000000000, 0.0050734600000000 ] - [ 0.0003317700000000, 0.0004966800000000, -0.0000410500000000 ] - [ 0.0047938400000000, -0.0051269100000000, -0.0044676900000000 ] - [ -0.0048053500000000, -0.0000625100000000, 0.0106016200000000 ] - [ 0.0012012800000000, 0.0054751800000000, 0.0000921600000000 ] - [ -0.0045058800000000, 0.0016622900000000, 0.0008114000000000 ] - [ 0.0005660400000000, 0.0140494600000000, -0.0060858000000000 ] - [ -0.0044389100000000, -0.0027912300000000, 0.0015330300000000 ] - [ 0.0003155900000000, 0.0027762700000000, 0.0004541500000000 ] - [ 0.0000411800000000, -0.0002998000000000, -0.0004755200000000 ] - [ 0.0010559300000000, 0.0000366100000000, 0.0000483600000000 ] - [ -0.0003809500000000, -0.0011242400000000, -0.0008975000000000 ] - [ 0.0056090600000000, 0.0051919000000000, -0.0056274900000000 ] - [ 0.0012810700000000, 0.0009165900000000, -0.0000743900000000 ] - [ 0.0001280600000000, -0.0008984600000000, 0.0003332000000000 ] - [ 0.0006260000000000, -0.0011783600000000, -0.0001071400000000 ] - [ -0.0016084700000000, 0.0071296600000000, -0.0042907200000000 ] - [ -0.0011457900000000, 0.0024435100000000, 0.0013481800000000 ] - [ -0.0250337200000000, 0.0623483800000000, 0.0048563600000000 ] - [ -0.0003931300000000, -0.0000556800000000, -0.0003886700000000 ] - [ -0.0008492900000000, -0.0037522800000000, 0.0016882500000000 ] - [ 0.0056139500000000, 0.0010927400000000, 0.0012021300000000 ] - [ 0.0000404500000000, -0.0013539300000000, 0.0002099400000000 ] - [ 0.0000890400000000, -0.0037551700000000, 0.0007719100000000 ] - [ 0.0010183100000000, -0.0065581100000000, -0.0082470500000000 ] - [ -0.0000560800000000, 0.0017769200000000, 0.0008579200000000 ] - [ -0.0316482900000000, 0.1411339200000000, 0.1098494600000000 ] - [ 0.0003984800000000, -0.0014319200000000, 0.0004087600000000 ] - [ -0.0014790700000000, -0.0107830600000000, 0.0078544800000000 ] - [ 0.0004685900000000, 0.0002230500000000, -0.0005826500000000 ] - [ 0.0029517900000000, -0.0000908500000000, -0.0052549300000000 ] - [ -0.0009418200000000, -0.0017027900000000, -0.0013182000000000 ] - [ 0.0910401500000000, 0.2511872300000000, -0.0418221800000000 ] - [ -0.0003758600000000, -0.0006874400000000, 0.0000989200000000 ] - [ -0.0064862600000000, 0.0056116100000000, -0.0012554500000000 ] - [ 0.0011740800000000, -0.0011645200000000, -0.0019451700000000 ] - [ -0.0024251700000000, -0.0036416700000000, -0.0004049200000000 ] - [ 0.0028481700000000, 0.0010623800000000, -0.0004445700000000 ] - [ 0.0037328600000000, -0.0096429400000000, -0.0017102300000000 ] - [ 0.0004415600000000, -0.0009891200000000, -0.0000589700000000 ] - [ -0.0269939300000000, 0.0902194200000000, -0.0721138600000000 ] - [ -0.0007084800000000, -0.0005525600000000, 0.0008747100000000 ] - [ 0.0003419200000000, 0.0007056500000000, 0.0040611200000000 ] - [ 0.0001494500000000, -0.0006752800000000, -0.0026843500000000 ] - [ 0.0002945500000000, -0.0031976900000000, -0.0007750900000000 ] - [ 0.0007493300000000, -0.0002166800000000, 0.0015968500000000 ] - [ 0.0000253100000000, -0.0029162700000000, 0.0009280400000000 ] - [ 0.0016168300000000, 0.0021795600000000, -0.0031109800000000 ] - [ -0.0077311200000000, -0.0005532300000000, 0.0030299900000000 ] - [ 0.0006294300000000, 0.0011991100000000, -0.0010125200000000 ] - [ -0.0006179200000000, -0.0007252800000000, -0.0010310300000000 ] - [ -0.0070301000000000, -0.0028168300000000, 0.0006092800000000 ] - [ -0.0030700800000000, 0.0084583100000000, -0.0080486100000000 ] - [ -0.0007651500000000, -0.0006388900000000, 0.0013058500000000 ] - [ -0.0046839100000000, -0.0039046300000000, 0.0008719500000000 ] - [ -0.0009824100000000, -0.0011753100000000, 0.0008035000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0066969000000000, -0.0093489500000000, 0.0007153000000000 ] - [ -0.0002564500000000, 0.0009829200000000, 0.0000081800000000 ] - [ 0.0010243400000000, 0.0035469400000000, 0.0069405300000000 ] - [ 0.0006636000000000, 0.0000463000000000, -0.0011694500000000 ] - [ 0.0060481700000000, -0.0131070600000000, 0.0023860300000000 ] - [ 0.0002107800000000, -0.0008043500000000, -0.0001747000000000 ] - [ 0.0044833000000000, 0.0023390800000000, -0.0011129100000000 ] - [ -0.0006201000000000, -0.0013811300000000, -0.0002949200000000 ] - [ -0.0300847100000000, -0.0274977100000000, -0.0057877000000000 ] - [ -0.0004439900000000, 0.0030339100000000, -0.0000000200000000 ] - [ -0.0104849000000000, -0.0160949900000000, -0.0210309700000000 ] - [ -0.0003806400000000, -0.0049042700000000, 0.0010793100000000 ] - [ -0.0094009800000000, 0.0061343000000000, 0.0009423300000000 ] - [ 0.0006831300000000, -0.0036359600000000, -0.0007186900000000 ] - [ -0.0017658300000000, -0.0028443400000000, 0.0029025400000000 ] - [ 0.0083629500000000, 0.0157317000000000, 0.0033890100000000 ] - [ 0.0268361700000000, 0.5926344400000000, -0.0135544500000000 ] - [ 0.0013597300000000, -0.0002262100000000, 0.0003418000000000 ] - [ -0.0050657200000000, 0.0068335800000000, 0.0047671600000000 ] - [ 0.0050543800000000, -0.0016636200000000, -0.0103309400000000 ] - [ -0.0009276500000000, -0.0037952900000000, -0.0003894800000000 ] - [ 0.0042684100000000, -0.0033753800000000, -0.0011339000000000 ] - [ 0.0011179200000000, -0.0143016400000000, 0.0057826500000000 ] - [ 0.0027752800000000, 0.0030338600000000, -0.0018388800000000 ] - [ 0.0002320000000000, -0.0009524200000000, -0.0003343100000000 ] - [ -0.0005876000000000, -0.0015216900000000, 0.0005906300000000 ] - [ 0.0007545900000000, -0.0005743900000000, 0.0000707100000000 ] - [ -0.0014293000000000, 0.0016736500000000, 0.0010249500000000 ] - [ -0.0073779000000000, -0.0057545700000000, 0.0054224900000000 ] - [ 0.0005302100000000, -0.0003771700000000, -0.0000415600000000 ] - [ -0.0006700900000000, 0.0027140800000000, -0.0004508500000000 ] - [ -0.0000915000000000, -0.0006292600000000, -0.0000153000000000 ] - [ 0.0027973400000000, -0.0053674500000000, 0.0034545300000000 ] - [ -0.0000160200000000, -0.0042396300000000, -0.0022297600000000 ] - [ 0.0251068500000000, -0.0632250500000000, -0.0055635000000000 ] - [ -0.0013886700000000, 0.0012046600000000, -0.0004836700000000 ] - [ -0.0009309800000000, 0.0025983800000000, -0.0008131700000000 ] - [ -0.0038691100000000, 0.0000881500000000, -0.0003322000000000 ] - [ -0.0011930300000000, 0.0031517300000000, 0.0006711600000000 ] - [ 0.0010593600000000, 0.0019837300000000, 0.0000992600000000 ] - [ -0.0026409800000000, 0.0060833600000000, 0.0090748400000000 ] - [ 0.0017189600000000, -0.0013315300000000, -0.0000049600000000 ] - [ 0.0292379100000000, -0.1360337200000000, -0.1029536700000000 ] - [ 0.0000496000000000, -0.0002301900000000, 0.0004461200000000 ] - [ 0.0019579100000000, 0.0123945600000000, -0.0086696300000000 ] - [ -0.0009218900000000, -0.0018794900000000, -0.0002621200000000 ] - [ -0.0013105500000000, -0.0003587000000000, 0.0044564200000000 ] - [ -0.0007318100000000, 0.0021532000000000, 0.0004695400000000 ] - [ -0.0986995900000000, -0.2650517400000000, 0.0462079700000000 ] - [ -0.0002346200000000, -0.0011408800000000, 0.0001689100000000 ] - [ 0.0083309900000000, -0.0062347500000000, 0.0015359000000000 ] - [ -0.0029900300000000, 0.0017699600000000, 0.0022282900000000 ] - [ 0.0006076400000000, 0.0030259700000000, 0.0001372900000000 ] - [ -0.0010363000000000, -0.0004549800000000, 0.0001825100000000 ] - [ -0.0043462100000000, 0.0114637100000000, 0.0014194200000000 ] - [ 0.0001415500000000, -0.0008127000000000, -0.0002024600000000 ] - [ 0.0270876200000000, -0.0904913900000000, 0.0717180900000000 ] - [ -0.0002472400000000, 0.0007077800000000, 0.0004894500000000 ] - [ -0.0004845200000000, -0.0016592400000000, -0.0026855000000000 ] - [ 0.0000150000000000, 0.0016358200000000, 0.0040589000000000 ] - [ -0.0001536100000000, 0.0022409900000000, -0.0005986900000000 ] - [ -0.0009039900000000, 0.0011823300000000, -0.0029746900000000 ] - [ -0.0009752600000000, 0.0027563900000000, -0.0022839300000000 ] - [ -0.0006613000000000, -0.0020144500000000, 0.0017398300000000 ] - [ 0.0058314500000000, -0.0001192700000000, -0.0033979000000000 ] - [ 0.0012302500000000, -0.0005412100000000, 0.0006183900000000 ] - [ -0.0000440600000000, 0.0025810900000000, 0.0006273100000000 ] - [ 0.0076202500000000, 0.0009702700000000, -0.0009598300000000 ] - [ 0.0037007200000000, -0.0066099500000000, 0.0084157800000000 ] - [ 0.0001037200000000, -0.0012170200000000, -0.0009021600000000 ] - [ 0.0065288900000000, 0.0032631800000000, -0.0004998700000000 ] - [ -0.0008607700000000, 0.0018437100000000, -0.0003868000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009446600000000, -0.0006967900000000, -0.0027842400000000 ] - [ -0.0005135400000000, -0.0001193400000000, 0.0038135400000000 ] - [ -0.0006154600000000, -0.0065966800000000, 0.0085480000000000 ] - [ -0.0013856300000000, 0.0008034700000000, 0.0001501900000000 ] - [ 0.0004952100000000, -0.0028368700000000, -0.0072465800000000 ] - [ 0.0001374800000000, -0.0001282500000000, 0.0018183500000000 ] - [ -0.0059239600000000, 0.0007126400000000, 0.0014651200000000 ] - [ 0.0000035400000000, -0.0003765800000000, 0.0003523100000000 ] - [ -0.0066758800000000, -0.0024684800000000, -0.0089318800000000 ] - [ 0.0004261900000000, 0.0002226500000000, 0.0061775000000000 ] - [ 0.0108747300000000, 0.0191375400000000, 0.0274665300000000 ] - [ -0.0022544300000000, -0.0032288800000000, 0.0028071800000000 ] - [ -0.0008520800000000, -0.0025777400000000, -0.0120865600000000 ] - [ -0.0002801800000000, 0.0000311500000000, 0.0067900600000000 ] - [ -0.0006919900000000, -0.0008768500000000, 0.0005658400000000 ] - [ 0.0247088200000000, 0.0126990100000000, 0.0319805400000000 ] - [ 0.0091504400000000, 0.0014411700000000, -0.5453935400000000 ] - [ 0.0012585500000000, 0.0003189800000000, 0.0042216200000000 ] - [ 0.0103761900000000, -0.0021862000000000, -0.0031085700000000 ] - [ 0.0047374600000000, 0.0142479600000000, -0.0030667600000000 ] - [ 0.0003763000000000, 0.0009758800000000, -0.0056181500000000 ] - [ -0.0011134900000000, -0.0015995100000000, 0.0152126600000000 ] - [ -0.0025120900000000, 0.0057914500000000, 0.0015062800000000 ] - [ 0.0061432400000000, 0.0018187800000000, 0.0011385700000000 ] - [ 0.0001513700000000, 0.0019025800000000, 0.0011720000000000 ] - [ -0.0005464500000000, -0.0017341000000000, 0.0015817000000000 ] - [ 0.0003296800000000, -0.0000341900000000, 0.0006422100000000 ] - [ 0.0001227100000000, -0.0001674600000000, 0.0001008600000000 ] - [ -0.0151587800000000, -0.0144196200000000, 0.0032661300000000 ] - [ 0.0014859000000000, 0.0006342000000000, 0.0000042300000000 ] - [ -0.0002546100000000, 0.0007275100000000, -0.0009316500000000 ] - [ 0.0005043500000000, -0.0006117400000000, 0.0006222100000000 ] - [ 0.0012942200000000, -0.0131570400000000, -0.0046457300000000 ] - [ -0.0027592900000000, 0.0011654300000000, -0.0000398400000000 ] - [ -0.0235901900000000, 0.0055727700000000, 0.0558344200000000 ] - [ -0.0012355900000000, 0.0005284600000000, -0.0023737400000000 ] - [ 0.0017185200000000, -0.0021942900000000, -0.0000267400000000 ] - [ -0.0072398700000000, 0.0020769800000000, -0.0023596000000000 ] - [ -0.0005002700000000, 0.0010796600000000, -0.0030352200000000 ] - [ 0.0003460300000000, -0.0008894800000000, 0.0027949600000000 ] - [ -0.0033792400000000, -0.0007779900000000, 0.0064242400000000 ] - [ -0.0019608100000000, 0.0007943500000000, -0.0019815300000000 ] - [ -0.0397985700000000, 0.1117424600000000, 0.1844896400000000 ] - [ 0.0001555600000000, 0.0001977700000000, -0.0019156500000000 ] - [ 0.0008758200000000, 0.0003026800000000, 0.0006586500000000 ] - [ -0.0016652800000000, -0.0022685200000000, -0.0030589600000000 ] - [ 0.0049730000000000, -0.0013391100000000, -0.0118593300000000 ] - [ 0.0008876900000000, 0.0006671400000000, 0.0026532100000000 ] - [ -0.0160314300000000, -0.0435293600000000, 0.0627988800000000 ] - [ -0.0004093500000000, -0.0012173900000000, -0.0014612100000000 ] - [ -0.0088600500000000, 0.0030596900000000, -0.0033200600000000 ] - [ 0.0003378300000000, -0.0025772900000000, 0.0010715200000000 ] - [ -0.0013039600000000, -0.0002497900000000, 0.0015902500000000 ] - [ 0.0008108500000000, 0.0006042500000000, -0.0041173400000000 ] - [ 0.0036784100000000, -0.0070681500000000, -0.0027803200000000 ] - [ -0.0010384000000000, 0.0004319200000000, -0.0011569500000000 ] - [ 0.0686034300000000, -0.0691166400000000, 0.2028671300000000 ] - [ -0.0000287000000000, -0.0003441000000000, -0.0015942400000000 ] - [ 0.0005689700000000, -0.0004946100000000, 0.0052822900000000 ] - [ -0.0013453100000000, -0.0032867200000000, -0.0018681500000000 ] - [ -0.0011268700000000, -0.0003532400000000, 0.0021121400000000 ] - [ -0.0016581300000000, 0.0042937600000000, -0.0131832100000000 ] - [ -0.0002541700000000, -0.0007428100000000, -0.0037332700000000 ] - [ -0.0008757400000000, -0.0003445600000000, 0.0007551200000000 ] - [ 0.0000568100000000, 0.0005136700000000, 0.0015510800000000 ] - [ -0.0010370900000000, -0.0003208800000000, -0.0030042100000000 ] - [ -0.0007618900000000, -0.0005042800000000, -0.0026545900000000 ] - [ 0.0106428800000000, 0.0072452800000000, 0.0028485700000000 ] - [ -0.0041686700000000, -0.0063597200000000, 0.0056009400000000 ] - [ 0.0003137400000000, -0.0013735700000000, -0.0017141200000000 ] - [ -0.0064636000000000, -0.0040531600000000, 0.0031678400000000 ] - [ -0.0012195300000000, 0.0014807100000000, -0.0028525500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0014405100000000, 0.0009707700000000, 0.0027876300000000 ] - [ 0.0010165800000000, -0.0001513200000000, -0.0038069200000000 ] - [ 0.0008769100000000, 0.0070161400000000, -0.0084364600000000 ] - [ 0.0011260500000000, -0.0013074400000000, -0.0001384500000000 ] - [ -0.0007621900000000, 0.0033167200000000, 0.0072452200000000 ] - [ 0.0001377400000000, -0.0003670200000000, -0.0018272000000000 ] - [ 0.0064069700000000, -0.0004253700000000, -0.0014800600000000 ] - [ -0.0005012500000000, 0.0000982200000000, -0.0003564700000000 ] - [ 0.0075905000000000, 0.0015495600000000, 0.0089344300000000 ] - [ -0.0013559000000000, 0.0007059000000000, -0.0061735500000000 ] - [ -0.0117962000000000, -0.0198642900000000, -0.0273925300000000 ] - [ 0.0031926400000000, 0.0041553900000000, -0.0028079200000000 ] - [ 0.0012872400000000, 0.0021155100000000, 0.0121016400000000 ] - [ -0.0001873900000000, 0.0004292700000000, -0.0067987700000000 ] - [ 0.0002341800000000, 0.0004056100000000, -0.0005818600000000 ] - [ -0.0244779100000000, -0.0122042400000000, -0.0321614500000000 ] - [ -0.0002912900000000, -0.0171536400000000, 0.5498554800000000 ] - [ 0.0004412900000000, -0.0000651000000000, -0.0039135400000000 ] - [ -0.0105556300000000, 0.0038473800000000, 0.0033820100000000 ] - [ -0.0044971200000000, -0.0160755200000000, 0.0034241000000000 ] - [ -0.0001065900000000, 0.0007072200000000, 0.0053148900000000 ] - [ 0.0008317500000000, -0.0000761700000000, -0.0155126000000000 ] - [ 0.0042022300000000, -0.0060759000000000, -0.0018373100000000 ] - [ -0.0078134300000000, -0.0015528300000000, -0.0014333600000000 ] - [ 0.0003971700000000, -0.0000803800000000, -0.0010475900000000 ] - [ 0.0000034500000000, -0.0000760900000000, -0.0014572200000000 ] - [ 0.0014812200000000, -0.0005081600000000, -0.0005227600000000 ] - [ -0.0019326400000000, 0.0007181200000000, 0.0000207800000000 ] - [ 0.0133639100000000, 0.0139369900000000, -0.0034236900000000 ] - [ 0.0003251500000000, -0.0000967300000000, -0.0001247500000000 ] - [ -0.0002833400000000, 0.0010826000000000, 0.0008126300000000 ] - [ 0.0000304000000000, -0.0012015300000000, -0.0007437600000000 ] - [ -0.0000910600000000, 0.0150419600000000, 0.0038060500000000 ] - [ 0.0015893800000000, -0.0029347300000000, -0.0008294400000000 ] - [ 0.0236983400000000, -0.0065484500000000, -0.0563744800000000 ] - [ -0.0005515600000000, 0.0006320400000000, 0.0014966400000000 ] - [ -0.0035057800000000, 0.0010473400000000, 0.0009099100000000 ] - [ 0.0089848400000000, -0.0009063300000000, 0.0032178600000000 ] - [ -0.0006501800000000, 0.0006946300000000, 0.0039111500000000 ] - [ 0.0008049000000000, -0.0008875900000000, -0.0019202800000000 ] - [ 0.0017525000000000, 0.0003315500000000, -0.0056368000000000 ] - [ 0.0036010400000000, -0.0003395000000000, 0.0028288200000000 ] - [ 0.0363275100000000, -0.1022869200000000, -0.1760308600000000 ] - [ 0.0002930400000000, -0.0018501800000000, 0.0027573200000000 ] - [ -0.0004169300000000, 0.0013513500000000, -0.0014722700000000 ] - [ 0.0012050800000000, 0.0006017300000000, 0.0022008300000000 ] - [ -0.0033081900000000, 0.0008608200000000, 0.0110078600000000 ] - [ -0.0025493300000000, -0.0002127100000000, -0.0035039000000000 ] - [ 0.0169302300000000, 0.0461488800000000, -0.0632115300000000 ] - [ -0.0002026700000000, -0.0006045800000000, 0.0017276600000000 ] - [ 0.0106298300000000, -0.0036891800000000, 0.0035803300000000 ] - [ -0.0021716100000000, 0.0032079100000000, -0.0008144400000000 ] - [ -0.0005260800000000, -0.0003567200000000, -0.0018574100000000 ] - [ 0.0010177800000000, 0.0000034300000000, 0.0038491600000000 ] - [ -0.0043206500000000, 0.0089387100000000, 0.0025388600000000 ] - [ 0.0016373100000000, -0.0022498100000000, 0.0008854900000000 ] - [ -0.0735502500000000, 0.0753602300000000, -0.2129263900000000 ] - [ -0.0009286000000000, 0.0005046900000000, 0.0029631200000000 ] - [ -0.0007263900000000, -0.0004736600000000, -0.0038748300000000 ] - [ 0.0015114400000000, 0.0042694000000000, 0.0032350600000000 ] - [ 0.0012845100000000, -0.0005965600000000, -0.0034749000000000 ] - [ 0.0015205400000000, -0.0033454100000000, 0.0118069500000000 ] - [ -0.0006899500000000, 0.0006084200000000, 0.0023921100000000 ] - [ 0.0018327400000000, 0.0004983400000000, -0.0021369600000000 ] - [ -0.0019293000000000, -0.0011727300000000, -0.0019303000000000 ] - [ 0.0029044400000000, 0.0009839500000000, 0.0026103600000000 ] - [ 0.0001002700000000, 0.0023552300000000, 0.0022611300000000 ] - [ -0.0099870000000000, -0.0090764700000000, -0.0032540900000000 ] - [ 0.0048054400000000, 0.0082063000000000, -0.0052226700000000 ] - [ -0.0009686100000000, -0.0004735800000000, 0.0021162100000000 ] - [ 0.0083358200000000, 0.0034053100000000, -0.0027779800000000 ] - [ -0.0006368100000000, -0.0008208000000000, 0.0032460900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004515800000000, -0.0019136900000000, 0.0012007800000000 ] - [ 0.0001497100000000, -0.0000007500000000, -0.0001245000000000 ] - [ 0.0003561600000000, 0.0003297300000000, -0.0000503300000000 ] - [ -0.0003692400000000, 0.0000295000000000, -0.0000999900000000 ] - [ 0.0005624200000000, 0.0000469200000000, 0.0000138500000000 ] - [ -0.0000520100000000, -0.0004760800000000, 0.0003555800000000 ] - [ 0.0007063700000000, -0.0001953100000000, 0.0002131500000000 ] - [ -0.0000570200000000, -0.0001384900000000, -0.0003206300000000 ] - [ 0.0022598900000000, 0.0005276500000000, -0.0000911400000000 ] - [ -0.0005294800000000, 0.0007376100000000, -0.0000227000000000 ] - [ 0.0052568600000000, 0.0030773500000000, -0.0004594900000000 ] - [ -0.0010049100000000, -0.0005254400000000, -0.0003981400000000 ] - [ -0.0061812200000000, -0.0028898600000000, 0.0008305800000000 ] - [ 0.0007644700000000, -0.0005865200000000, -0.0008449600000000 ] - [ 0.0013434900000000, 0.0032637300000000, 0.0042668700000000 ] - [ 0.0007595100000000, 0.0004446500000000, -0.0000205100000000 ] - [ 0.0014359700000000, -0.0000668700000000, 0.0000530700000000 ] - [ -0.0001218000000000, 0.0004473000000000, 0.0004298900000000 ] - [ -0.0015479600000000, 0.0027245300000000, -0.0002837300000000 ] - [ 0.0004367600000000, -0.0006983700000000, -0.0000846200000000 ] - [ 0.0056391100000000, -0.0012184500000000, -0.0144540200000000 ] - [ 0.0005206100000000, -0.0008181200000000, -0.0005254000000000 ] - [ 0.0037012000000000, -0.0005379400000000, -0.0001383000000000 ] - [ -0.0008891400000000, -0.0002312200000000, -0.0003942300000000 ] - [ -0.2009700100000000, -0.1691881000000000, -0.0719682000000000 ] - [ -0.0001672700000000, -0.0008739300000000, 0.0001639000000000 ] - [ 0.0010635800000000, -0.0003056000000000, 0.0000616200000000 ] - [ -0.0009567600000000, 0.0003062100000000, 0.0000259900000000 ] - [ -0.0007457300000000, -0.0001784300000000, -0.0001777000000000 ] - [ -0.0003318900000000, -0.0006624300000000, -0.0016530600000000 ] - [ -0.0006106800000000, 0.0013849800000000, 0.0000463600000000 ] - [ 0.0003278900000000, -0.0009104000000000, -0.0000469800000000 ] - [ 0.0004748300000000, 0.0007342400000000, -0.0004249900000000 ] - [ 0.0001053900000000, -0.0024569400000000, -0.0007639000000000 ] - [ -0.0006105300000000, -0.0021210300000000, -0.0011400200000000 ] - [ -0.0003021000000000, 0.0008121500000000, -0.0003183700000000 ] - [ -0.0030447800000000, -0.0005014500000000, -0.0000461500000000 ] - [ 0.0007788300000000, 0.0006949300000000, 0.0005550000000000 ] - [ -0.0009073700000000, 0.0008765800000000, 0.0005401000000000 ] - [ 0.0008021300000000, 0.0018671400000000, 0.0029742800000000 ] - [ -0.0012738700000000, -0.0003389500000000, 0.0006526800000000 ] - [ 0.0012781800000000, 0.0000830600000000, 0.0007477400000000 ] - [ -0.0009037700000000, 0.0011794800000000, 0.0004509000000000 ] - [ 0.0004872500000000, -0.0008754800000000, 0.0005132600000000 ] - [ -0.0006664200000000, 0.0009427400000000, -0.0005678400000000 ] - [ -0.0001855300000000, -0.0007247300000000, -0.0002677300000000 ] - [ 0.0003361200000000, -0.0003025900000000, -0.0000428400000000 ] - [ 0.0010280100000000, 0.0004582500000000, 0.0026959300000000 ] - [ -0.0005648300000000, 0.0005786200000000, 0.0002713500000000 ] - [ -0.0001163900000000, -0.0010239900000000, 0.0000788300000000 ] - [ 0.0019971100000000, -0.0022829900000000, 0.0008827900000000 ] - [ -0.0008102000000000, 0.0003280300000000, 0.0000918500000000 ] - [ -0.0035903100000000, -0.0003604300000000, 0.0017306500000000 ] - [ 0.0005608200000000, 0.0001846000000000, -0.0001468900000000 ] - [ -0.0015014700000000, 0.0013393800000000, -0.0001637700000000 ] - [ 0.0004373700000000, -0.0006214600000000, 0.0000417700000000 ] - [ -0.0000845200000000, -0.0000477000000000, 0.0003571000000000 ] - [ 0.0004467300000000, 0.0000238500000000, -0.0001745700000000 ] - [ 0.0015235200000000, -0.0017632300000000, 0.0015466900000000 ] - [ -0.0000506300000000, 0.0005210100000000, 0.0008119300000000 ] - [ -0.0027155200000000, -0.0074662600000000, 0.0053599300000000 ] - [ -0.0002427000000000, 0.0003809000000000, -0.0005491200000000 ] - [ -0.0014010800000000, -0.0000227900000000, -0.0010894200000000 ] - [ 0.0006416900000000, 0.0003625300000000, -0.0004508600000000 ] - [ -0.0014950000000000, -0.0015062300000000, -0.0002077100000000 ] - [ 0.0008225100000000, 0.0002758000000000, -0.0002028500000000 ] - [ -0.0011271800000000, 0.0013566800000000, 0.0025697200000000 ] - [ 0.0000203500000000, -0.0000987400000000, -0.0020465900000000 ] - [ 0.0001077600000000, 0.0006672200000000, 0.0004128200000000 ] - [ -0.0004684400000000, -0.0011385600000000, -0.0000574300000000 ] - [ 0.2008666300000000, 0.1787285200000000, 0.0695076900000000 ] - [ -0.0009499300000000, 0.0003536900000000, 0.0003650400000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000522000000000, 0.0021956500000000, -0.0012005400000000 ] - [ 0.0003467800000000, -0.0002700200000000, 0.0001276900000000 ] - [ -0.0000803400000000, 0.0001752200000000, 0.0000569800000000 ] - [ 0.0000948900000000, -0.0005208200000000, 0.0001026200000000 ] - [ -0.0008245800000000, 0.0004404400000000, -0.0000180900000000 ] - [ 0.0003187000000000, -0.0000236400000000, -0.0003678400000000 ] - [ -0.0002046700000000, 0.0004657800000000, -0.0002176000000000 ] - [ -0.0004379700000000, -0.0001354500000000, 0.0003090300000000 ] - [ -0.0013138900000000, -0.0014305800000000, 0.0000870300000000 ] - [ -0.0003956800000000, 0.0001912800000000, 0.0000202900000000 ] - [ -0.0061284100000000, -0.0040688000000000, 0.0003852800000000 ] - [ 0.0019113800000000, 0.0014312700000000, 0.0003886100000000 ] - [ 0.0065605300000000, 0.0025399100000000, -0.0007228400000000 ] - [ -0.0012101600000000, 0.0010307200000000, 0.0008391000000000 ] - [ -0.0017754000000000, -0.0036715500000000, -0.0041901900000000 ] - [ -0.0002977500000000, 0.0000151600000000, 0.0000211600000000 ] - [ -0.0031248600000000, -0.0001465700000000, 0.0002916700000000 ] - [ 0.0018031700000000, -0.0001861200000000, -0.0001261100000000 ] - [ 0.0012539800000000, -0.0009899000000000, 0.0005962000000000 ] - [ -0.0001794100000000, -0.0009810100000000, 0.0003836900000000 ] - [ -0.0053135100000000, 0.0028216700000000, 0.0139106100000000 ] - [ -0.0007680500000000, -0.0008710900000000, 0.0002121900000000 ] - [ -0.0019901500000000, 0.0002652900000000, -0.0001608000000000 ] - [ -0.0007969600000000, 0.0004818500000000, 0.0000855600000000 ] - [ 0.2074694500000000, 0.1823993000000000, 0.0765450500000000 ] - [ -0.0003632700000000, -0.0009298400000000, -0.0000482700000000 ] - [ 0.0007410200000000, -0.0002252700000000, 0.0000532500000000 ] - [ -0.0008473200000000, 0.0002262800000000, 0.0000884300000000 ] - [ -0.0010572600000000, -0.0003515600000000, 0.0000631800000000 ] - [ 0.0021462400000000, 0.0011797500000000, 0.0015287200000000 ] - [ 0.0000747600000000, 0.0004268200000000, -0.0001597900000000 ] - [ 0.0002038200000000, -0.0008925400000000, -0.0000677700000000 ] - [ 0.0006770300000000, 0.0010052300000000, -0.0004463700000000 ] - [ -0.0012469600000000, 0.0006796400000000, -0.0001192100000000 ] - [ 0.0023586600000000, 0.0009576200000000, 0.0002603500000000 ] - [ -0.0014389900000000, 0.0003412900000000, -0.0005532900000000 ] - [ 0.0012719700000000, -0.0006453100000000, 0.0009099800000000 ] - [ 0.0009644000000000, 0.0004581900000000, 0.0003193100000000 ] - [ -0.0002466600000000, 0.0008711000000000, 0.0003347000000000 ] - [ 0.0003823800000000, -0.0035718700000000, -0.0020851900000000 ] - [ -0.0003771600000000, -0.0001199300000000, 0.0001810400000000 ] - [ 0.0003809600000000, 0.0003663200000000, 0.0000863900000000 ] - [ 0.0004020600000000, 0.0004139500000000, 0.0003428200000000 ] - [ -0.0000284900000000, -0.0007734000000000, 0.0003202600000000 ] - [ 0.0011207400000000, 0.0007087700000000, -0.0002676400000000 ] - [ -0.0002709400000000, -0.0009229700000000, -0.0005592800000000 ] - [ 0.0013069900000000, -0.0001529400000000, -0.0007813600000000 ] - [ -0.0026522800000000, 0.0000102700000000, -0.0034765500000000 ] - [ 0.0011848800000000, 0.0012356400000000, -0.0000077500000000 ] - [ -0.0005083700000000, -0.0008163600000000, 0.0001901300000000 ] - [ -0.0001286400000000, 0.0016120400000000, -0.0006042500000000 ] - [ -0.0010273300000000, 0.0002985500000000, 0.0001806300000000 ] - [ 0.0017152600000000, -0.0002593700000000, -0.0019729100000000 ] - [ 0.0012754100000000, 0.0004393800000000, -0.0001194600000000 ] - [ 0.0008504800000000, 0.0005292200000000, -0.0001012900000000 ] - [ 0.0001897000000000, -0.0012128400000000, -0.0003055000000000 ] - [ 0.0010521700000000, -0.0001325100000000, 0.0010425500000000 ] - [ -0.0014116900000000, 0.0001581300000000, 0.0015824800000000 ] - [ -0.0016926200000000, 0.0007804000000000, -0.0001430100000000 ] - [ 0.0002270300000000, 0.0004524200000000, 0.0006045800000000 ] - [ 0.0028293200000000, 0.0063043900000000, -0.0066417700000000 ] - [ 0.0000642200000000, 0.0005918900000000, -0.0008615400000000 ] - [ 0.0004191000000000, -0.0001520900000000, -0.0003305200000000 ] - [ 0.0003374400000000, -0.0001837700000000, -0.0009639600000000 ] - [ -0.0003737400000000, 0.0008319400000000, -0.0001898400000000 ] - [ 0.0010360600000000, 0.0003785000000000, -0.0001928900000000 ] - [ 0.0004596500000000, 0.0005302600000000, -0.0029568600000000 ] - [ 0.0006441400000000, -0.0017556700000000, 0.0016371800000000 ] - [ 0.0005447000000000, 0.0011876200000000, -0.0000129600000000 ] - [ -0.0001875700000000, -0.0007242300000000, 0.0004498700000000 ] - [ -0.2049570600000000, -0.1906160600000000, -0.0735974900000000 ] - [ -0.0009091500000000, 0.0003049500000000, 0.0000321200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031010300000000, 0.0022795500000000, -0.0015747400000000 ] - [ 0.0002142900000000, 0.0000632300000000, -0.0001823300000000 ] - [ 0.0001726300000000, 0.0006595100000000, 0.0000942800000000 ] - [ -0.0001665500000000, 0.0001944400000000, -0.0002648700000000 ] - [ 0.0005007600000000, -0.0002569000000000, 0.0003330800000000 ] - [ -0.0001906500000000, -0.0005969600000000, -0.0005840700000000 ] - [ -0.0000797700000000, 0.0003306100000000, -0.0000183700000000 ] - [ -0.0001184500000000, -0.0002921900000000, -0.0002815500000000 ] - [ 0.0018068500000000, 0.0006267100000000, -0.0001476200000000 ] - [ -0.0005752800000000, 0.0011339800000000, -0.0001911600000000 ] - [ 0.0048523700000000, 0.0027424100000000, -0.0032682000000000 ] - [ -0.0004512600000000, -0.0009068800000000, -0.0006152200000000 ] - [ 0.0002910600000000, 0.0071628500000000, 0.0080609900000000 ] - [ 0.0002647900000000, -0.0005940900000000, -0.0006208300000000 ] - [ 0.0026254500000000, 0.0034582000000000, 0.0049570300000000 ] - [ 0.0004826400000000, 0.0007168700000000, -0.0000748300000000 ] - [ -0.0007748200000000, 0.0017566800000000, 0.0011672400000000 ] - [ -0.0000287000000000, 0.0007447600000000, 0.0009879000000000 ] - [ -0.0006733200000000, 0.0048662200000000, -0.0008614100000000 ] - [ -0.0000172800000000, -0.0005236900000000, -0.0004243600000000 ] - [ 0.0066426900000000, -0.0121530900000000, -0.0145570100000000 ] - [ 0.0002517200000000, -0.0009793500000000, -0.0007401800000000 ] - [ 0.0027341900000000, -0.0019524800000000, 0.0000228100000000 ] - [ -0.0009376100000000, -0.0001445400000000, 0.0001386100000000 ] - [ -0.1698737200000000, -0.1906552800000000, -0.0839282800000000 ] - [ -0.0002380200000000, -0.0009267900000000, 0.0001275400000000 ] - [ 0.0010169600000000, -0.0003223900000000, 0.0000414100000000 ] - [ -0.0010157600000000, 0.0004289200000000, 0.0000483600000000 ] - [ -0.0008998300000000, -0.0001100600000000, -0.0000979900000000 ] - [ 0.0005497300000000, -0.0009829400000000, 0.0003121700000000 ] - [ -0.0007472000000000, 0.0016504600000000, 0.0000558000000000 ] - [ 0.0002763100000000, -0.0008744900000000, -0.0000577400000000 ] - [ 0.0006152600000000, 0.0005714200000000, -0.0003331700000000 ] - [ -0.0002868300000000, -0.0035628900000000, -0.0008024100000000 ] - [ 0.0008433600000000, -0.0012048100000000, -0.0006057000000000 ] - [ -0.0003922700000000, 0.0007536300000000, -0.0004743100000000 ] - [ -0.0029221100000000, 0.0004098600000000, -0.0001585500000000 ] - [ 0.0009007400000000, 0.0005823800000000, 0.0004161000000000 ] - [ -0.0007323100000000, 0.0010365300000000, 0.0005947000000000 ] - [ 0.0022827900000000, 0.0047735000000000, -0.0005614400000000 ] - [ -0.0010288000000000, -0.0003257700000000, 0.0007547000000000 ] - [ 0.0011655700000000, -0.0005602400000000, 0.0008728600000000 ] - [ -0.0009608800000000, -0.0009827100000000, -0.0006763800000000 ] - [ 0.0003755600000000, -0.0007354500000000, 0.0003768900000000 ] - [ 0.0000245000000000, 0.0013360300000000, -0.0009352500000000 ] - [ -0.0002212500000000, -0.0008746000000000, -0.0003903400000000 ] - [ 0.0004742400000000, -0.0002591000000000, 0.0000210700000000 ] - [ -0.0000977700000000, 0.0016240800000000, 0.0029458300000000 ] - [ 0.0000908200000000, -0.0003451300000000, 0.0000577600000000 ] - [ -0.0002396100000000, -0.0012949000000000, 0.0000321600000000 ] - [ 0.0014243200000000, -0.0021867300000000, 0.0002981200000000 ] - [ -0.0006531600000000, 0.0003215700000000, 0.0004916900000000 ] - [ -0.0043019500000000, 0.0010363000000000, 0.0029119200000000 ] - [ 0.0007622100000000, 0.0001671300000000, -0.0000005300000000 ] - [ -0.0023944100000000, 0.0027399500000000, 0.0003623000000000 ] - [ 0.0002585800000000, -0.0005044100000000, -0.0000764600000000 ] - [ 0.0002278700000000, -0.0003683900000000, 0.0002890000000000 ] - [ 0.0000000500000000, 0.0000216800000000, -0.0007536900000000 ] - [ 0.0003366000000000, -0.0026886600000000, 0.0008802500000000 ] - [ 0.0001124400000000, 0.0005439600000000, 0.0009512700000000 ] - [ -0.0097227600000000, -0.0031874400000000, 0.0073633500000000 ] - [ -0.0001219700000000, 0.0003754300000000, -0.0004331600000000 ] - [ -0.0010066100000000, 0.0002348300000000, -0.0009326200000000 ] - [ 0.0007407000000000, 0.0000090500000000, -0.0009767000000000 ] - [ -0.0015003600000000, -0.0018688800000000, -0.0001411300000000 ] - [ 0.0009052400000000, 0.0001852000000000, -0.0001734100000000 ] - [ -0.0012089800000000, 0.0026360300000000, 0.0019516100000000 ] - [ 0.0004973500000000, -0.0006628200000000, -0.0014340700000000 ] - [ 0.0002279500000000, 0.0005255400000000, 0.0004322300000000 ] - [ -0.0004594000000000, -0.0011923000000000, -0.0000358300000000 ] - [ 0.1740889800000000, 0.1859229300000000, 0.0796854900000000 ] - [ -0.0008968900000000, 0.0004549300000000, 0.0003494300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025587700000000, -0.0019914100000000, 0.0015628600000000 ] - [ 0.0002804100000000, -0.0003340600000000, 0.0001897900000000 ] - [ 0.0001030200000000, -0.0001565400000000, -0.0000868700000000 ] - [ -0.0001109900000000, -0.0006849900000000, 0.0002698800000000 ] - [ -0.0007585400000000, 0.0007428300000000, -0.0003370100000000 ] - [ 0.0004608000000000, 0.0000994000000000, 0.0005740400000000 ] - [ 0.0005882200000000, -0.0000556400000000, 0.0000112000000000 ] - [ -0.0003756200000000, 0.0000162200000000, 0.0002660500000000 ] - [ -0.0008386800000000, -0.0015240700000000, 0.0001453300000000 ] - [ -0.0003492200000000, -0.0002013000000000, 0.0001942200000000 ] - [ -0.0057172800000000, -0.0036134500000000, 0.0031486900000000 ] - [ 0.0013514200000000, 0.0018069600000000, 0.0006105400000000 ] - [ 0.0000565000000000, -0.0076511400000000, -0.0081326400000000 ] - [ -0.0007177300000000, 0.0010443900000000, 0.0006071700000000 ] - [ -0.0030454800000000, -0.0038656100000000, -0.0048536300000000 ] - [ -0.0000049500000000, -0.0002423100000000, 0.0000766700000000 ] - [ -0.0009015400000000, -0.0019724100000000, -0.0008176400000000 ] - [ 0.0017024900000000, -0.0004774100000000, -0.0006710000000000 ] - [ 0.0003754400000000, -0.0031489000000000, 0.0011936800000000 ] - [ 0.0002836200000000, -0.0011594100000000, 0.0007266100000000 ] - [ -0.0063451400000000, 0.0136115100000000, 0.0139695600000000 ] - [ -0.0004993100000000, -0.0007104700000000, 0.0004218600000000 ] - [ -0.0009979000000000, 0.0016603000000000, -0.0003313100000000 ] - [ -0.0007511900000000, 0.0004043500000000, -0.0004502600000000 ] - [ 0.1817057100000000, 0.1980809400000000, 0.0886125100000000 ] - [ -0.0003003100000000, -0.0008845300000000, -0.0000063200000000 ] - [ 0.0007979500000000, -0.0002190700000000, 0.0000775900000000 ] - [ -0.0007967400000000, 0.0001126900000000, 0.0000696600000000 ] - [ -0.0009093500000000, -0.0004283500000000, -0.0000229100000000 ] - [ 0.0012527500000000, 0.0015014400000000, -0.0004559600000000 ] - [ 0.0002041600000000, 0.0001674000000000, -0.0001749400000000 ] - [ 0.0002646500000000, -0.0009370200000000, -0.0000612100000000 ] - [ 0.0005347300000000, 0.0012042000000000, -0.0005427800000000 ] - [ -0.0008522000000000, 0.0017491300000000, -0.0000871500000000 ] - [ 0.0009310800000000, 0.0000238300000000, -0.0002847200000000 ] - [ -0.0013797500000000, 0.0004014900000000, -0.0004018100000000 ] - [ 0.0010999700000000, -0.0015463100000000, 0.0010229400000000 ] - [ 0.0008789300000000, 0.0005688500000000, 0.0004617100000000 ] - [ -0.0004232100000000, 0.0007451000000000, 0.0002849000000000 ] - [ -0.0011308000000000, -0.0064935500000000, 0.0014717700000000 ] - [ -0.0006391700000000, -0.0001274200000000, 0.0000995800000000 ] - [ 0.0004995600000000, 0.0010050900000000, -0.0000279600000000 ] - [ 0.0004637400000000, 0.0025927700000000, 0.0014934000000000 ] - [ 0.0000795000000000, -0.0009235200000000, 0.0004720900000000 ] - [ 0.0004142400000000, 0.0003318700000000, 0.0000789600000000 ] - [ -0.0002294300000000, -0.0007861100000000, -0.0004568100000000 ] - [ 0.0011772900000000, -0.0001933600000000, -0.0008601400000000 ] - [ -0.0015272900000000, -0.0011551200000000, -0.0037254400000000 ] - [ 0.0005011800000000, 0.0021348200000000, 0.0002049800000000 ] - [ -0.0003612500000000, -0.0005237600000000, 0.0002325500000000 ] - [ 0.0004347600000000, 0.0015413000000000, -0.0000213900000000 ] - [ -0.0011635700000000, 0.0002846400000000, -0.0002227600000000 ] - [ 0.0024074900000000, -0.0016297400000000, -0.0031069800000000 ] - [ 0.0010484200000000, 0.0004330900000000, -0.0002649800000000 ] - [ 0.0017558100000000, -0.0008931300000000, -0.0006217800000000 ] - [ 0.0003487800000000, -0.0013093000000000, -0.0001872000000000 ] - [ 0.0007125700000000, 0.0002073300000000, 0.0010534700000000 ] - [ -0.0009380900000000, 0.0001405700000000, 0.0020946000000000 ] - [ -0.0004797200000000, 0.0017402100000000, 0.0004815400000000 ] - [ 0.0000430200000000, 0.0004069500000000, 0.0004105300000000 ] - [ 0.0096116200000000, 0.0021896400000000, -0.0085098800000000 ] - [ -0.0000377000000000, 0.0005729400000000, -0.0009222800000000 ] - [ 0.0000437400000000, -0.0003862500000000, -0.0004294600000000 ] - [ 0.0002121000000000, 0.0001492800000000, -0.0003777700000000 ] - [ -0.0003698000000000, 0.0011839000000000, -0.0002577300000000 ] - [ 0.0009478200000000, 0.0004752600000000, -0.0002265900000000 ] - [ 0.0005395500000000, -0.0007667300000000, -0.0023098200000000 ] - [ 0.0001683500000000, -0.0011785800000000, 0.0009984300000000 ] - [ 0.0004291300000000, 0.0013218900000000, -0.0000266200000000 ] - [ -0.0002069200000000, -0.0006642000000000, 0.0004300100000000 ] - [ -0.1831515900000000, -0.1920273000000000, -0.0837964800000000 ] - [ -0.0009588500000000, 0.0002099100000000, 0.0000508200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009165100000000, -0.0014111400000000, -0.0000284100000000 ] - [ 0.0002354500000000, -0.0002288100000000, 0.0000331900000000 ] - [ 0.0001328600000000, 0.0003587700000000, -0.0001899300000000 ] - [ -0.0001156500000000, -0.0003790300000000, 0.0002241600000000 ] - [ -0.0004272500000000, 0.0003066600000000, 0.0000669600000000 ] - [ 0.0007172400000000, -0.0005926900000000, 0.0007889100000000 ] - [ 0.0004372100000000, 0.0001004600000000, -0.0003051700000000 ] - [ -0.0003014400000000, -0.0001244700000000, 0.0002929200000000 ] - [ 0.0001802000000000, -0.0006346700000000, 0.0000499000000000 ] - [ -0.0003036200000000, 0.0005250000000000, 0.0000765100000000 ] - [ -0.0052211100000000, -0.0053019000000000, -0.0021081900000000 ] - [ 0.0011903300000000, 0.0011429100000000, 0.0012603800000000 ] - [ 0.0041212800000000, 0.0050646200000000, 0.0016832100000000 ] - [ -0.0014011500000000, 0.0009768400000000, 0.0009487900000000 ] - [ 0.0003454000000000, 0.0003865000000000, -0.0021294800000000 ] - [ 0.0001392100000000, 0.0001913400000000, 0.0003727900000000 ] - [ -0.0022587900000000, 0.0002645700000000, 0.0012713700000000 ] - [ 0.0005224400000000, 0.0006664600000000, 0.0016782700000000 ] - [ -0.0010807100000000, 0.0003832400000000, 0.0001822000000000 ] - [ 0.0001401200000000, -0.0008660600000000, 0.0007415000000000 ] - [ -0.0053673000000000, -0.0038985300000000, 0.0032303400000000 ] - [ -0.0001150400000000, -0.0011527700000000, -0.0000914800000000 ] - [ 0.0007065800000000, -0.0005218200000000, -0.0010316500000000 ] - [ -0.0007522900000000, 0.0000823200000000, 0.0005290900000000 ] - [ -0.0741593900000000, -0.0854446400000000, -0.0640696900000000 ] - [ -0.0003753000000000, -0.0009731500000000, -0.0000013900000000 ] - [ 0.0008947100000000, -0.0002367600000000, 0.0000711800000000 ] - [ -0.0008870100000000, 0.0002717800000000, 0.0000715800000000 ] - [ -0.0009459100000000, -0.0003914800000000, 0.0000503700000000 ] - [ 0.0005209500000000, 0.0018703700000000, 0.0026449300000000 ] - [ -0.0001657500000000, 0.0007906800000000, -0.0000836200000000 ] - [ 0.0002574600000000, -0.0009035900000000, -0.0000542400000000 ] - [ 0.0005909800000000, 0.0009177500000000, -0.0005872300000000 ] - [ -0.0004825800000000, -0.0009302400000000, -0.0002030500000000 ] - [ 0.0016074100000000, 0.0000470000000000, -0.0004520900000000 ] - [ -0.0008655500000000, 0.0002458700000000, -0.0007409200000000 ] - [ -0.0009555600000000, -0.0007155200000000, 0.0009277600000000 ] - [ 0.0008819300000000, 0.0005538300000000, 0.0002310400000000 ] - [ -0.0004132700000000, 0.0011133000000000, 0.0003807900000000 ] - [ 0.0021215800000000, -0.0013674400000000, -0.0005772000000000 ] - [ -0.0007119200000000, -0.0001908800000000, 0.0001016500000000 ] - [ 0.0011041900000000, 0.0005003000000000, 0.0006580900000000 ] - [ -0.0013233100000000, -0.0006481800000000, -0.0013345500000000 ] - [ 0.0001899000000000, -0.0007123200000000, -0.0002836700000000 ] - [ 0.0001441400000000, 0.0007210400000000, 0.0000012900000000 ] - [ -0.0002742500000000, -0.0009094500000000, -0.0007498200000000 ] - [ 0.0010325200000000, 0.0000711100000000, -0.0005041900000000 ] - [ -0.0006114200000000, 0.0008565400000000, -0.0015089000000000 ] - [ 0.0004052700000000, 0.0008103700000000, -0.0000503700000000 ] - [ -0.0004377900000000, -0.0014311500000000, -0.0002484900000000 ] - [ 0.0021273200000000, -0.0015416000000000, 0.0011235700000000 ] - [ -0.0009671100000000, 0.0002100300000000, -0.0001974100000000 ] - [ -0.0002335200000000, 0.0003322700000000, -0.0003158800000000 ] - [ 0.0009213300000000, 0.0004677000000000, -0.0001224400000000 ] - [ -0.0007942300000000, 0.0015340800000000, 0.0003276500000000 ] - [ 0.0001258200000000, -0.0008802000000000, -0.0004928800000000 ] - [ 0.0006272700000000, -0.0000436300000000, 0.0002443600000000 ] - [ -0.0007656200000000, -0.0009940800000000, -0.0003795700000000 ] - [ -0.0001450500000000, -0.0002909400000000, 0.0008483200000000 ] - [ 0.0001021400000000, 0.0003369600000000, 0.0003276700000000 ] - [ 0.0019396500000000, 0.0027758200000000, 0.0050025200000000 ] - [ -0.0000313100000000, 0.0006208000000000, -0.0008249700000000 ] - [ -0.0000550800000000, -0.0001172300000000, -0.0001746600000000 ] - [ 0.0005064600000000, -0.0000094100000000, -0.0011147000000000 ] - [ -0.0007531400000000, 0.0000757800000000, -0.0001416500000000 ] - [ 0.0008965900000000, 0.0003339600000000, -0.0003131900000000 ] - [ 0.0019847800000000, 0.0013170600000000, -0.0015605100000000 ] - [ 0.0001203500000000, -0.0016734900000000, 0.0018023800000000 ] - [ 0.0003693500000000, 0.0010163900000000, 0.0000577400000000 ] - [ -0.0004251700000000, -0.0009967900000000, 0.0003059200000000 ] - [ 0.0757349200000000, 0.0878943500000000, 0.0544871500000000 ] - [ -0.0008682300000000, 0.0003792200000000, -0.0001248100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0014093400000000, 0.0016862000000000, 0.0000560300000000 ] - [ 0.0002620400000000, -0.0000467600000000, -0.0000245900000000 ] - [ 0.0001408600000000, 0.0001383300000000, 0.0001955600000000 ] - [ -0.0001584200000000, -0.0001175500000000, -0.0002127200000000 ] - [ 0.0001535400000000, 0.0001905100000000, -0.0000720000000000 ] - [ -0.0004378700000000, 0.0000923300000000, -0.0007980100000000 ] - [ 0.0000557400000000, 0.0001747800000000, 0.0002948300000000 ] - [ -0.0001950000000000, -0.0001490200000000, -0.0002997800000000 ] - [ 0.0007418500000000, -0.0002924300000000, -0.0000453600000000 ] - [ -0.0006216800000000, 0.0004018600000000, -0.0000798900000000 ] - [ 0.0042306100000000, 0.0043428700000000, 0.0020735000000000 ] - [ -0.0002592500000000, -0.0002085400000000, -0.0012683500000000 ] - [ -0.0036301300000000, -0.0056846200000000, -0.0016661800000000 ] - [ 0.0009178700000000, -0.0004992300000000, -0.0009391000000000 ] - [ -0.0008180500000000, -0.0008627900000000, 0.0021016200000000 ] - [ 0.0003249800000000, 0.0002716000000000, -0.0003686200000000 ] - [ 0.0005848600000000, -0.0005241800000000, -0.0009495600000000 ] - [ 0.0011668600000000, -0.0003996800000000, -0.0013612600000000 ] - [ 0.0008420600000000, 0.0013082500000000, 0.0001012100000000 ] - [ 0.0001173200000000, -0.0008197800000000, -0.0004246600000000 ] - [ 0.0056824100000000, 0.0056654900000000, -0.0034591300000000 ] - [ -0.0001479000000000, -0.0005412000000000, -0.0002191500000000 ] - [ 0.0009745300000000, 0.0002626700000000, 0.0007134400000000 ] - [ -0.0009339500000000, 0.0001741400000000, -0.0008361000000000 ] - [ 0.0742375200000000, 0.0869806500000000, 0.0617534500000000 ] - [ -0.0001664600000000, -0.0008394700000000, 0.0001191100000000 ] - [ 0.0009162200000000, -0.0003025700000000, 0.0000478200000000 ] - [ -0.0009234300000000, 0.0002668800000000, 0.0000481800000000 ] - [ -0.0008711100000000, -0.0001543700000000, -0.0001575400000000 ] - [ 0.0012893100000000, -0.0013081800000000, -0.0027506400000000 ] - [ -0.0003755400000000, 0.0010214100000000, -0.0000349900000000 ] - [ 0.0002817400000000, -0.0009073200000000, -0.0000650600000000 ] - [ 0.0005597700000000, 0.0008640900000000, -0.0002912100000000 ] - [ -0.0006718400000000, -0.0008470200000000, -0.0006668400000000 ] - [ 0.0001658000000000, -0.0012095900000000, -0.0004350000000000 ] - [ -0.0009197000000000, 0.0008979500000000, -0.0001375400000000 ] - [ -0.0008193500000000, -0.0004337000000000, -0.0000470200000000 ] - [ 0.0009000900000000, 0.0005969500000000, 0.0006448100000000 ] - [ -0.0007323900000000, 0.0006718600000000, 0.0004963900000000 ] - [ -0.0009932400000000, -0.0004243800000000, 0.0014302100000000 ] - [ -0.0009466700000000, -0.0002586200000000, 0.0007438900000000 ] - [ 0.0005567500000000, -0.0000502700000000, 0.0001991700000000 ] - [ 0.0008560600000000, 0.0022997500000000, 0.0021913700000000 ] - [ 0.0002588000000000, -0.0009508500000000, 0.0011332000000000 ] - [ 0.0003053100000000, 0.0009394500000000, -0.0008482400000000 ] - [ -0.0001763100000000, -0.0007523000000000, -0.0001014300000000 ] - [ 0.0006304600000000, -0.0005190000000000, -0.0003425800000000 ] - [ -0.0010699300000000, -0.0004192600000000, 0.0006468900000000 ] - [ 0.0001927300000000, 0.0010025900000000, 0.0003138400000000 ] - [ -0.0001662000000000, -0.0003889100000000, 0.0005117000000000 ] - [ -0.0003293600000000, 0.0009649600000000, -0.0008571600000000 ] - [ -0.0008456300000000, 0.0003877600000000, 0.0004607900000000 ] - [ -0.0015672200000000, -0.0009414500000000, 0.0000312800000000 ] - [ 0.0008959000000000, 0.0001355800000000, -0.0001413100000000 ] - [ 0.0001980600000000, 0.0002774600000000, -0.0005873800000000 ] - [ 0.0004720000000000, -0.0009321000000000, 0.0002276100000000 ] - [ 0.0003217400000000, -0.0001096700000000, 0.0011057200000000 ] - [ -0.0001889300000000, 0.0011430400000000, 0.0017340700000000 ] - [ -0.0000083800000000, -0.0006760600000000, 0.0005186800000000 ] - [ 0.0000566400000000, 0.0006105800000000, 0.0010263700000000 ] - [ -0.0017219600000000, -0.0036627100000000, -0.0064555100000000 ] - [ -0.0001246500000000, 0.0003309500000000, -0.0005319000000000 ] - [ -0.0008874700000000, -0.0000411300000000, -0.0011741300000000 ] - [ 0.0004415800000000, 0.0001702800000000, -0.0002431800000000 ] - [ -0.0010962100000000, -0.0007380800000000, -0.0002584600000000 ] - [ 0.0009579500000000, 0.0003298100000000, -0.0000880900000000 ] - [ -0.0026394800000000, 0.0005110200000000, 0.0011378600000000 ] - [ 0.0005549400000000, -0.0001559200000000, -0.0021942100000000 ] - [ 0.0002940900000000, 0.0008406100000000, 0.0003407000000000 ] - [ -0.0002390200000000, -0.0008567700000000, 0.0000975700000000 ] - [ -0.0734622200000000, -0.0882127000000000, -0.0515861700000000 ] - [ -0.0009847400000000, 0.0002855700000000, 0.0005231900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003712300000000, 0.0004473300000000, -0.0015219800000000 ] - [ 0.0001564400000000, -0.0014132900000000, 0.0017207600000000 ] - [ 0.0006369900000000, 0.0003057000000000, 0.0001025400000000 ] - [ -0.0046856800000000, -0.0011902200000000, -0.0005655800000000 ] - [ 0.0002795500000000, -0.0000811200000000, 0.0001238500000000 ] - [ -0.0003239500000000, -0.0001131200000000, 0.0000709200000000 ] - [ 0.0000771100000000, 0.0001956500000000, 0.0000113600000000 ] - [ -0.0017785700000000, -0.0009351600000000, -0.0000940500000000 ] - [ -0.0009137000000000, -0.0002428900000000, 0.0044657700000000 ] - [ -0.0048777500000000, 0.0023760200000000, -0.0023707400000000 ] - [ 0.0005248100000000, -0.0003712300000000, 0.0000722500000000 ] - [ -0.0044365100000000, 0.0061946000000000, 0.0018237400000000 ] - [ -0.0008340900000000, -0.0003399300000000, -0.0007114500000000 ] - [ 0.0032532200000000, -0.0002598600000000, -0.0009016100000000 ] - [ -0.0017285500000000, -0.0008720800000000, -0.0000475400000000 ] - [ 0.0346436600000000, -0.0186370600000000, -0.0016954200000000 ] - [ 0.0037740100000000, -0.0023226300000000, 0.0008355200000000 ] - [ -0.0007996100000000, -0.0004207200000000, 0.0023330000000000 ] - [ -0.0007605300000000, 0.0008840600000000, 0.0001038000000000 ] - [ 0.0631720900000000, 0.0321285500000000, -0.0059724200000000 ] - [ -0.0030490600000000, 0.0009797300000000, -0.0017756700000000 ] - [ 0.0003750900000000, -0.0007044700000000, -0.0016361600000000 ] - [ 0.0006397300000000, -0.0007527400000000, -0.0000806100000000 ] - [ -0.0032681300000000, 0.0006038000000000, 0.0000742700000000 ] - [ 0.0001705200000000, 0.0009460100000000, 0.0000755600000000 ] - [ 0.0004013700000000, -0.0006288400000000, -0.0000345200000000 ] - [ 0.0010799500000000, -0.0005050900000000, -0.0002654800000000 ] - [ -0.0015239500000000, 0.0018030700000000, -0.0005626000000000 ] - [ 0.0000701200000000, -0.0002034500000000, -0.0002014200000000 ] - [ 0.0009132600000000, 0.0003903200000000, -0.0000382600000000 ] - [ -0.0006022500000000, 0.0010605500000000, 0.0000975900000000 ] - [ 0.0004660900000000, -0.0025925700000000, -0.0016143300000000 ] - [ -0.0970736200000000, -0.0041579100000000, 0.0029810600000000 ] - [ -0.0002113800000000, -0.0008872600000000, -0.0004349700000000 ] - [ -0.0006495900000000, 0.0006041900000000, 0.0009280800000000 ] - [ -0.0009187800000000, -0.0006094500000000, -0.0017704100000000 ] - [ -0.0006235300000000, -0.0003517600000000, 0.0004672100000000 ] - [ 0.0024670600000000, -0.0003549900000000, 0.0004540800000000 ] - [ -0.0007352500000000, 0.0011189500000000, 0.0008042700000000 ] - [ 0.0013472500000000, -0.0010111300000000, 0.0007461900000000 ] - [ -0.0035704500000000, 0.0186322700000000, -0.0097719300000000 ] - [ 0.0013865900000000, 0.0002065300000000, 0.0004997400000000 ] - [ -0.0010316200000000, 0.0009719400000000, -0.0001890500000000 ] - [ 0.0013935100000000, -0.0006459600000000, -0.0010817300000000 ] - [ 0.0000940300000000, 0.0010646100000000, -0.0009960000000000 ] - [ 0.0014261500000000, -0.0011569700000000, -0.0010162700000000 ] - [ 0.0000107700000000, -0.0000190500000000, 0.0001256400000000 ] - [ 0.0017241100000000, -0.0004382900000000, 0.0016837600000000 ] - [ -0.0015339000000000, 0.0003318400000000, -0.0001584600000000 ] - [ 0.0015816000000000, -0.0002035100000000, -0.0005627300000000 ] - [ 0.0010029000000000, -0.0003115000000000, -0.0001995200000000 ] - [ 0.0076992000000000, -0.0349112700000000, 0.0057476300000000 ] - [ 0.0013807100000000, 0.0005866700000000, -0.0003473600000000 ] - [ 0.0006620900000000, -0.0004607000000000, 0.0002861700000000 ] - [ -0.0005198700000000, 0.0011659500000000, -0.0001845100000000 ] - [ 0.0013183800000000, -0.0016421300000000, -0.0001455600000000 ] - [ -0.0036378200000000, -0.0012643900000000, -0.0024752400000000 ] - [ 0.0002845300000000, -0.0000204100000000, -0.0003564100000000 ] - [ 0.0003241500000000, -0.0005865800000000, 0.0007523700000000 ] - [ -0.0087903300000000, 0.0131308000000000, 0.0070935000000000 ] - [ 0.0007431800000000, -0.0003307700000000, -0.0002242000000000 ] - [ -0.0012786900000000, -0.0010648500000000, 0.0010467100000000 ] - [ -0.0006863900000000, 0.0000705500000000, -0.0004141500000000 ] - [ 0.0020180400000000, 0.0002106300000000, -0.0007835000000000 ] - [ -0.0003511000000000, -0.0002582800000000, -0.0007443900000000 ] - [ 0.0113690000000000, 0.0000020800000000, 0.0077275800000000 ] - [ -0.0006222400000000, 0.0007364200000000, -0.0004332400000000 ] - [ -0.0000197000000000, -0.0024178200000000, 0.0005643100000000 ] - [ 0.0043045400000000, -0.0004853500000000, -0.0021403100000000 ] - [ 0.0002482100000000, -0.0002804000000000, 0.0016762400000000 ] - [ 0.0008569900000000, -0.0003786400000000, 0.0004433600000000 ] - [ -0.0028116400000000, -0.0003129900000000, -0.0014190500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008609100000000, -0.0001700300000000, 0.0015356200000000 ] - [ 0.0003491500000000, 0.0011433600000000, -0.0017163500000000 ] - [ -0.0003626900000000, 0.0001958300000000, -0.0000936300000000 ] - [ 0.0044482300000000, 0.0006951300000000, 0.0005778900000000 ] - [ -0.0005533300000000, 0.0005642000000000, -0.0001275800000000 ] - [ 0.0005978000000000, -0.0003882700000000, -0.0000798400000000 ] - [ 0.0004191600000000, 0.0000761500000000, -0.0000194500000000 ] - [ 0.0012614800000000, 0.0006601800000000, 0.0000832200000000 ] - [ 0.0017993200000000, -0.0006335800000000, -0.0044463500000000 ] - [ 0.0039649400000000, -0.0014631800000000, 0.0023918100000000 ] - [ -0.0014509500000000, -0.0005636300000000, -0.0000716400000000 ] - [ 0.0053978900000000, -0.0053102400000000, -0.0018271000000000 ] - [ 0.0013020600000000, -0.0001372600000000, 0.0007075400000000 ] - [ -0.0036838700000000, 0.0006890500000000, 0.0008475600000000 ] - [ 0.0012664400000000, 0.0004170800000000, 0.0000510900000000 ] - [ -0.0353424400000000, 0.0204983600000000, 0.0017724900000000 ] - [ -0.0054548100000000, 0.0020852200000000, -0.0005448200000000 ] - [ 0.0025057500000000, 0.0007066200000000, -0.0020198300000000 ] - [ 0.0005013400000000, 0.0008076600000000, 0.0002093300000000 ] - [ -0.0624036700000000, -0.0323494600000000, 0.0061508900000000 ] - [ 0.0033015000000000, 0.0007016600000000, 0.0014695600000000 ] - [ -0.0006301500000000, -0.0010153400000000, 0.0013420100000000 ] - [ 0.0010396500000000, 0.0004807000000000, -0.0002320500000000 ] - [ 0.0015759000000000, -0.0003666300000000, -0.0003873400000000 ] - [ 0.0003686300000000, 0.0008643600000000, 0.0000433300000000 ] - [ -0.0009459700000000, -0.0011922000000000, 0.0001532300000000 ] - [ 0.0007263200000000, -0.0000296500000000, 0.0003846300000000 ] - [ -0.0002935900000000, -0.0012807000000000, 0.0006927800000000 ] - [ -0.0018846200000000, -0.0003409900000000, 0.0000815600000000 ] - [ 0.0008987200000000, 0.0001495600000000, -0.0000808100000000 ] - [ 0.0000635500000000, 0.0007503600000000, -0.0002199500000000 ] - [ 0.0000407800000000, 0.0008224800000000, 0.0015013500000000 ] - [ 0.0987959000000000, 0.0032568100000000, -0.0038686500000000 ] - [ -0.0009401400000000, -0.0008986900000000, -0.0004433500000000 ] - [ 0.0024319100000000, -0.0017522100000000, -0.0017953700000000 ] - [ -0.0008855700000000, 0.0017476400000000, 0.0008935400000000 ] - [ -0.0011537800000000, -0.0007985100000000, 0.0004080800000000 ] - [ -0.0006714400000000, 0.0015001300000000, 0.0004228300000000 ] - [ -0.0004137900000000, 0.0006969600000000, 0.0000748900000000 ] - [ -0.0001959800000000, -0.0007656600000000, 0.0001295600000000 ] - [ 0.0020229300000000, -0.0191643500000000, 0.0107100100000000 ] - [ 0.0002746200000000, 0.0002424900000000, 0.0003474800000000 ] - [ 0.0005787000000000, 0.0006910700000000, 0.0010482500000000 ] - [ -0.0009489400000000, -0.0010227700000000, 0.0019388900000000 ] - [ 0.0003572300000000, 0.0005995300000000, 0.0001391300000000 ] - [ -0.0018763700000000, -0.0004936300000000, 0.0001697700000000 ] - [ 0.0016522400000000, -0.0004246500000000, -0.0009848400000000 ] - [ -0.0033892200000000, 0.0008879700000000, -0.0025365700000000 ] - [ 0.0021353600000000, 0.0014659500000000, 0.0004181700000000 ] - [ -0.0021955000000000, -0.0016296800000000, 0.0008186700000000 ] - [ 0.0008124600000000, -0.0002906200000000, 0.0004614900000000 ] - [ -0.0094988400000000, 0.0352962300000000, -0.0054113200000000 ] - [ -0.0031839900000000, -0.0011874200000000, 0.0000762900000000 ] - [ 0.0011595100000000, 0.0010763800000000, -0.0005563800000000 ] - [ -0.0000831800000000, 0.0006568600000000, -0.0000804600000000 ] - [ -0.0007192800000000, -0.0001612900000000, -0.0001196200000000 ] - [ 0.0046198700000000, 0.0011241400000000, 0.0038830900000000 ] - [ -0.0012415700000000, 0.0001765100000000, 0.0017184100000000 ] - [ -0.0004842600000000, -0.0003642000000000, 0.0006076800000000 ] - [ 0.0090739900000000, -0.0120778900000000, -0.0057131200000000 ] - [ -0.0005823600000000, -0.0006213800000000, -0.0011411500000000 ] - [ 0.0011185800000000, 0.0020627400000000, -0.0024493800000000 ] - [ -0.0002598900000000, -0.0002287500000000, -0.0009368800000000 ] - [ -0.0010686400000000, -0.0000407400000000, -0.0005761900000000 ] - [ -0.0015004500000000, -0.0004110000000000, 0.0003488200000000 ] - [ -0.0096826700000000, 0.0006305000000000, -0.0082734000000000 ] - [ -0.0000453800000000, 0.0011191900000000, 0.0000348300000000 ] - [ 0.0006847500000000, 0.0005716100000000, -0.0009637900000000 ] - [ -0.0036956700000000, 0.0023351100000000, 0.0025886400000000 ] - [ -0.0009111300000000, -0.0015810400000000, -0.0012905500000000 ] - [ 0.0009953300000000, -0.0002839700000000, -0.0000436700000000 ] - [ 0.0009530900000000, 0.0009938100000000, 0.0018170300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004260100000000, 0.0012336700000000, 0.0020366500000000 ] - [ -0.0018715700000000, -0.0003337900000000, 0.0019979900000000 ] - [ 0.0001715300000000, 0.0014021400000000, 0.0001017600000000 ] - [ 0.0004030500000000, 0.0030815300000000, -0.0000691000000000 ] - [ 0.0001252700000000, -0.0033369500000000, 0.0007203800000000 ] - [ 0.0003336200000000, -0.0011797300000000, -0.0001473400000000 ] - [ 0.0005494500000000, -0.0002566600000000, 0.0000555700000000 ] - [ -0.0027442000000000, -0.0009606000000000, -0.0005465800000000 ] - [ -0.0036586100000000, 0.0086228500000000, 0.0049477500000000 ] - [ 0.0017748300000000, 0.0007063900000000, 0.0019645800000000 ] - [ -0.0014779500000000, -0.0032324300000000, -0.0003401800000000 ] - [ 0.0085451700000000, -0.0099448800000000, -0.0018240700000000 ] - [ -0.0008401800000000, -0.0031157700000000, -0.0000686800000000 ] - [ 0.0031739100000000, -0.0060536000000000, -0.0090390500000000 ] - [ 0.0003000200000000, 0.0013584700000000, 0.0003560800000000 ] - [ -0.0129277400000000, 0.0159092500000000, 0.0010852200000000 ] - [ -0.0045937500000000, 0.0061494200000000, -0.0139399200000000 ] - [ 0.0035645300000000, 0.0034554700000000, -0.0018906600000000 ] - [ -0.0006297300000000, 0.0021418300000000, 0.0004996200000000 ] - [ 0.0239621900000000, 0.2922608500000000, -0.0225104800000000 ] - [ 0.0001664900000000, -0.0014389600000000, 0.0024485700000000 ] - [ 0.0046247900000000, -0.0075647600000000, 0.0079656300000000 ] - [ 0.0001113700000000, -0.0023829400000000, -0.0003458800000000 ] - [ 0.0018830000000000, -0.0027299000000000, -0.0001581500000000 ] - [ 0.0001139400000000, 0.0005845800000000, 0.0000843800000000 ] - [ -0.0018186000000000, -0.0035579100000000, 0.0000981600000000 ] - [ 0.0004095100000000, 0.0003162600000000, 0.0000298300000000 ] - [ -0.0008588600000000, -0.0012263200000000, 0.0007762200000000 ] - [ -0.0029115300000000, -0.0024089900000000, -0.0001269000000000 ] - [ 0.0009114800000000, 0.0001548800000000, -0.0000489700000000 ] - [ -0.0002529300000000, 0.0010471000000000, -0.0002771600000000 ] - [ -0.0024698800000000, 0.0047012200000000, -0.0005431500000000 ] - [ -0.0012524800000000, -0.4013186900000000, 0.0223128900000000 ] - [ -0.0005676900000000, -0.0019496100000000, -0.0005298900000000 ] - [ 0.0034732600000000, -0.0006011500000000, 0.0018612200000000 ] - [ -0.0034716200000000, -0.0009540200000000, 0.0011223800000000 ] - [ -0.0005262100000000, -0.0003079000000000, 0.0003191600000000 ] - [ -0.0012028800000000, 0.0021271700000000, 0.0005212900000000 ] - [ -0.0007912600000000, 0.0075728200000000, 0.0000470300000000 ] - [ 0.0006971900000000, 0.0009409300000000, -0.0000142700000000 ] - [ 0.0135423700000000, 0.0167185300000000, -0.0153720100000000 ] - [ 0.0009014500000000, -0.0000588900000000, 0.0001309100000000 ] - [ -0.0001095800000000, 0.0018485700000000, 0.0048282100000000 ] - [ -0.0011062700000000, -0.0019150600000000, 0.0030051000000000 ] - [ 0.0005122800000000, 0.0010675200000000, -0.0016969100000000 ] - [ -0.0005193100000000, -0.0001565200000000, -0.0000100300000000 ] - [ 0.0009846300000000, 0.0010571500000000, -0.0028052500000000 ] - [ -0.0030733600000000, 0.0009319800000000, -0.0026610800000000 ] - [ -0.0008502000000000, -0.0036757300000000, 0.0025168700000000 ] - [ -0.0017294900000000, -0.0036022400000000, -0.0001139600000000 ] - [ 0.0015160000000000, -0.0005111500000000, -0.0002384700000000 ] - [ -0.0216036500000000, 0.0356909000000000, -0.0057378600000000 ] - [ 0.0004397100000000, 0.0001805200000000, -0.0014668200000000 ] - [ -0.0002188800000000, 0.0015123800000000, -0.0015211900000000 ] - [ -0.0006717100000000, 0.0024494800000000, -0.0001188600000000 ] - [ -0.0009349400000000, 0.0017118100000000, -0.0003594800000000 ] - [ 0.0039121400000000, 0.0097514600000000, 0.0175282200000000 ] - [ -0.0013188900000000, -0.0001668900000000, 0.0017246500000000 ] - [ 0.0002272900000000, -0.0005353700000000, 0.0007918200000000 ] - [ 0.0104810600000000, 0.0266695700000000, 0.0183820000000000 ] - [ 0.0002601200000000, -0.0004628100000000, -0.0019735200000000 ] - [ -0.0029254400000000, 0.0110775700000000, -0.0113517600000000 ] - [ 0.0002324000000000, 0.0002800900000000, 0.0007736500000000 ] - [ -0.0002012700000000, 0.0007948700000000, -0.0005050100000000 ] - [ -0.0010795700000000, -0.0011807000000000, 0.0002786700000000 ] - [ -0.0055579300000000, -0.0063947600000000, -0.0060681200000000 ] - [ -0.0003231100000000, 0.0018672100000000, 0.0003598100000000 ] - [ 0.0013114700000000, 0.0034454200000000, -0.0014201700000000 ] - [ -0.0034663300000000, -0.0014062100000000, 0.0034991900000000 ] - [ -0.0003831500000000, -0.0020327200000000, -0.0008537400000000 ] - [ 0.0013127500000000, 0.0006789300000000, 0.0001125900000000 ] - [ -0.0004135300000000, 0.0054537800000000, 0.0014106600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009191800000000, -0.0009762200000000, -0.0020272800000000 ] - [ 0.0023748100000000, 0.0000908900000000, -0.0020072500000000 ] - [ 0.0001031800000000, -0.0009067200000000, -0.0000940400000000 ] - [ -0.0006548200000000, -0.0035881800000000, 0.0000819300000000 ] - [ -0.0003959400000000, 0.0038403700000000, -0.0007345500000000 ] - [ -0.0000597100000000, 0.0006843900000000, 0.0001390900000000 ] - [ -0.0000519300000000, 0.0005331400000000, -0.0000640700000000 ] - [ 0.0022565600000000, 0.0006806300000000, 0.0005375900000000 ] - [ 0.0045785400000000, -0.0095996800000000, -0.0049355400000000 ] - [ -0.0027233000000000, 0.0002452500000000, -0.0019948400000000 ] - [ 0.0005513400000000, 0.0023124800000000, 0.0003458700000000 ] - [ -0.0076769100000000, 0.0109163100000000, 0.0018441500000000 ] - [ 0.0013025100000000, 0.0026659600000000, 0.0000640600000000 ] - [ -0.0036658800000000, 0.0065191500000000, 0.0090823300000000 ] - [ -0.0007693300000000, -0.0018331500000000, -0.0003609600000000 ] - [ 0.0120328400000000, -0.0144894100000000, -0.0010360300000000 ] - [ 0.0029087400000000, -0.0063528400000000, 0.0142539900000000 ] - [ -0.0018689600000000, -0.0032277000000000, 0.0022078700000000 ] - [ 0.0003637900000000, -0.0004521400000000, -0.0001895500000000 ] - [ -0.0262497100000000, -0.3153537200000000, 0.0248295600000000 ] - [ 0.0000874900000000, 0.0031325000000000, -0.0027746900000000 ] - [ -0.0048630800000000, 0.0058934200000000, -0.0082553700000000 ] - [ 0.0015826000000000, 0.0021210800000000, 0.0000413900000000 ] - [ -0.0035780800000000, 0.0030144400000000, -0.0001513000000000 ] - [ 0.0004261900000000, 0.0012266300000000, 0.0000346400000000 ] - [ 0.0012759000000000, 0.0017447200000000, 0.0000194100000000 ] - [ 0.0014060200000000, -0.0008622800000000, 0.0000887200000000 ] - [ -0.0009557200000000, 0.0017840600000000, -0.0006607900000000 ] - [ 0.0011005100000000, 0.0018667500000000, 0.0000049500000000 ] - [ 0.0008988000000000, 0.0003822400000000, -0.0000714800000000 ] - [ -0.0002880900000000, 0.0007647900000000, 0.0001594000000000 ] - [ 0.0030097300000000, -0.0065742700000000, 0.0003955900000000 ] - [ 0.0062431800000000, 0.4247214600000000, -0.0254112600000000 ] - [ -0.0005825500000000, 0.0001648800000000, -0.0003488600000000 ] - [ -0.0016896600000000, -0.0005702800000000, -0.0027421800000000 ] - [ 0.0016919100000000, 0.0021315600000000, -0.0019975500000000 ] - [ -0.0012613600000000, -0.0008415200000000, 0.0005584100000000 ] - [ 0.0030041600000000, -0.0010093700000000, 0.0003559000000000 ] - [ -0.0003734100000000, -0.0057965500000000, 0.0008185800000000 ] - [ 0.0004542600000000, -0.0027326800000000, 0.0008945200000000 ] - [ -0.0154104900000000, -0.0173357900000000, 0.0164509700000000 ] - [ 0.0007613400000000, 0.0005078500000000, 0.0007191700000000 ] - [ -0.0003417700000000, -0.0001972700000000, -0.0039744700000000 ] - [ 0.0015662500000000, 0.0002695900000000, -0.0021792800000000 ] - [ -0.0000615400000000, 0.0005973800000000, 0.0008477500000000 ] - [ 0.0000710600000000, -0.0015192900000000, -0.0008447600000000 ] - [ 0.0006785800000000, -0.0015160700000000, 0.0019412700000000 ] - [ 0.0014371700000000, -0.0004775400000000, 0.0018342000000000 ] - [ 0.0014609600000000, 0.0054795300000000, -0.0022783800000000 ] - [ 0.0011332900000000, 0.0018005700000000, 0.0003863900000000 ] - [ 0.0003042100000000, -0.0000960200000000, 0.0005022400000000 ] - [ 0.0202199500000000, -0.0357553500000000, 0.0061811200000000 ] - [ -0.0022582300000000, -0.0007829400000000, 0.0012065800000000 ] - [ 0.0020191100000000, -0.0009264000000000, 0.0012509900000000 ] - [ 0.0000671800000000, -0.0006332800000000, -0.0001482600000000 ] - [ 0.0015457900000000, -0.0035451000000000, 0.0000947600000000 ] - [ -0.0029665300000000, -0.0097965300000000, -0.0160246100000000 ] - [ 0.0003681400000000, 0.0003285300000000, -0.0003699100000000 ] - [ -0.0003836600000000, -0.0004157600000000, 0.0005614100000000 ] - [ -0.0105599700000000, -0.0261433600000000, -0.0173415400000000 ] - [ -0.0001050300000000, -0.0004844900000000, 0.0006249400000000 ] - [ 0.0027586500000000, -0.0100370300000000, 0.0099077500000000 ] - [ -0.0011867900000000, -0.0004324800000000, -0.0021410800000000 ] - [ 0.0011560200000000, -0.0006504400000000, -0.0008513100000000 ] - [ -0.0007720300000000, 0.0005209700000000, -0.0006833200000000 ] - [ 0.0074981200000000, 0.0070306900000000, 0.0057338000000000 ] - [ -0.0003373700000000, -0.0000109000000000, -0.0007634000000000 ] - [ -0.0006445100000000, -0.0053233900000000, 0.0010354900000000 ] - [ 0.0041329700000000, 0.0032412000000000, -0.0031113800000000 ] - [ -0.0002787200000000, 0.0001872700000000, 0.0012675900000000 ] - [ 0.0005419600000000, -0.0013452400000000, 0.0002880300000000 ] - [ -0.0014395500000000, -0.0048093300000000, -0.0010230800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013995400000000, 0.0009594000000000, -0.0014198600000000 ] - [ 0.0016280000000000, 0.0009288800000000, -0.0005598600000000 ] - [ 0.0000666400000000, 0.0003413300000000, -0.0015784300000000 ] - [ -0.0005820700000000, -0.0004451800000000, 0.0014930200000000 ] - [ -0.0000342700000000, 0.0008294300000000, -0.0001655100000000 ] - [ 0.0001015200000000, -0.0001678100000000, -0.0001272700000000 ] - [ 0.0003898600000000, 0.0001098300000000, -0.0007100700000000 ] - [ -0.0004912400000000, -0.0002509600000000, 0.0015284500000000 ] - [ 0.0050908200000000, -0.0009430800000000, -0.0052025400000000 ] - [ -0.0020023600000000, 0.0015818500000000, -0.0015471700000000 ] - [ -0.0006194600000000, -0.0007171900000000, -0.0025679200000000 ] - [ -0.0005718500000000, 0.0018743800000000, 0.0023376000000000 ] - [ -0.0008297700000000, -0.0007705600000000, -0.0002712500000000 ] - [ 0.0021909800000000, -0.0027847600000000, -0.0039960300000000 ] - [ -0.0002806100000000, -0.0002472200000000, -0.0020198300000000 ] - [ -0.0019553800000000, 0.0020072200000000, 0.0086203000000000 ] - [ -0.0026794200000000, -0.0040196200000000, -0.0040776000000000 ] - [ 0.0040274000000000, -0.0016525500000000, 0.0005446500000000 ] - [ -0.0000857700000000, 0.0007189200000000, -0.0017851400000000 ] - [ -0.0049600700000000, -0.0227608300000000, 0.0560803100000000 ] - [ 0.0013828900000000, 0.0015095400000000, -0.0006172200000000 ] - [ -0.0008931400000000, -0.0008610200000000, -0.0029409200000000 ] - [ 0.0008801700000000, 0.0000955100000000, -0.0036349100000000 ] - [ -0.0007268100000000, 0.0004633600000000, 0.0022074900000000 ] - [ 0.0002831000000000, 0.0010113500000000, -0.0000885300000000 ] - [ 0.0000481700000000, -0.0005523600000000, 0.0002925400000000 ] - [ 0.0008705000000000, -0.0003890900000000, -0.0002427200000000 ] - [ -0.0007472400000000, -0.0004281300000000, 0.0000518900000000 ] - [ -0.0014999700000000, -0.0007533500000000, 0.0004268900000000 ] - [ 0.0009290200000000, 0.0001545900000000, -0.0002672000000000 ] - [ -0.0001699600000000, 0.0007519400000000, -0.0001181600000000 ] - [ -0.0022556700000000, -0.0019071300000000, -0.0010658100000000 ] - [ 0.0039185600000000, 0.0242131900000000, -0.0590778400000000 ] - [ -0.0005799100000000, -0.0007985300000000, 0.0002474600000000 ] - [ 0.0024527000000000, 0.0007605800000000, 0.0005292100000000 ] - [ -0.0031882800000000, 0.0019291200000000, 0.0005248900000000 ] - [ -0.0010067500000000, -0.0005467700000000, 0.0012913000000000 ] - [ 0.0008043000000000, 0.0005599100000000, -0.0004617400000000 ] - [ -0.0002119500000000, 0.0012817400000000, 0.0014257900000000 ] - [ 0.0002689600000000, -0.0013390700000000, 0.0005538900000000 ] - [ -0.0120398500000000, -0.0242247400000000, 0.0027712900000000 ] - [ 0.0011454900000000, 0.0002697200000000, 0.0014974800000000 ] - [ -0.0001194600000000, 0.0022361400000000, 0.0025817300000000 ] - [ -0.0000597500000000, -0.0000090600000000, -0.0009356900000000 ] - [ -0.0000593900000000, -0.0001909900000000, 0.0020264500000000 ] - [ -0.0003144900000000, -0.0016923200000000, -0.0018712300000000 ] - [ 0.0004112300000000, -0.0002513900000000, 0.0011320400000000 ] - [ -0.0008223000000000, 0.0000897800000000, -0.0006350200000000 ] - [ -0.0000404700000000, 0.0026154000000000, 0.0039049000000000 ] - [ -0.0007490300000000, -0.0005347900000000, 0.0001578500000000 ] - [ 0.0008997000000000, -0.0003509500000000, 0.0011187000000000 ] - [ 0.0038848200000000, -0.0081624000000000, -0.0086053200000000 ] - [ -0.0025207300000000, -0.0009352200000000, 0.0003870200000000 ] - [ 0.0015487700000000, 0.0002966000000000, 0.0005147600000000 ] - [ -0.0002973500000000, 0.0009774800000000, 0.0009214000000000 ] - [ 0.0003795100000000, -0.0010162200000000, -0.0007703300000000 ] - [ 0.0004525000000000, 0.0050738000000000, 0.0029247600000000 ] - [ -0.0013117300000000, 0.0004915700000000, 0.0014825400000000 ] - [ -0.0001191800000000, -0.0007011000000000, 0.0017592100000000 ] - [ 0.0070140400000000, 0.0267788600000000, 0.0029759300000000 ] - [ -0.0000704300000000, -0.0004676600000000, 0.0000732800000000 ] - [ 0.0011395300000000, -0.0026685000000000, 0.0007314000000000 ] - [ 0.0002023000000000, 0.0002795100000000, 0.0017884900000000 ] - [ 0.0006770300000000, 0.0005032400000000, -0.0018811400000000 ] - [ -0.0014790100000000, -0.0003672300000000, 0.0006858500000000 ] - [ 0.0076508300000000, -0.0003442400000000, 0.0009605800000000 ] - [ -0.0004471600000000, 0.0013263700000000, 0.0005378300000000 ] - [ 0.0009431200000000, -0.0005359300000000, -0.0008267700000000 ] - [ -0.0018687300000000, 0.0023236900000000, -0.0001114900000000 ] - [ -0.0000922700000000, -0.0005172300000000, 0.0014340000000000 ] - [ 0.0009297100000000, -0.0002799900000000, 0.0008138300000000 ] - [ -0.0024293900000000, 0.0002409300000000, -0.0011564300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008991800000000, -0.0006739500000000, 0.0014296800000000 ] - [ -0.0011272300000000, -0.0011966600000000, 0.0005589900000000 ] - [ 0.0002084300000000, 0.0001592500000000, 0.0015897000000000 ] - [ 0.0003112500000000, -0.0000406800000000, -0.0014853500000000 ] - [ -0.0002403700000000, -0.0003421100000000, 0.0001597200000000 ] - [ 0.0001722600000000, -0.0003318900000000, 0.0001173100000000 ] - [ 0.0001085000000000, 0.0001626400000000, 0.0007010400000000 ] - [ -0.0000146500000000, -0.0000266500000000, -0.0015382300000000 ] - [ -0.0041596900000000, 0.0000554800000000, 0.0052174700000000 ] - [ 0.0010724000000000, -0.0006506500000000, 0.0015451100000000 ] - [ -0.0003077200000000, -0.0002169900000000, 0.0025664800000000 ] - [ 0.0015342200000000, -0.0009914600000000, -0.0023489600000000 ] - [ 0.0012916500000000, 0.0002935800000000, 0.0002738100000000 ] - [ -0.0026367400000000, 0.0032347000000000, 0.0039572700000000 ] - [ -0.0001862800000000, -0.0002140900000000, 0.0020206000000000 ] - [ 0.0026614100000000, -0.0016801800000000, -0.0086548500000000 ] - [ 0.0009804800000000, 0.0037270400000000, 0.0043733900000000 ] - [ -0.0023455000000000, 0.0019268700000000, -0.0002445200000000 ] - [ -0.0001810100000000, 0.0009736200000000, 0.0020962000000000 ] - [ 0.0054586100000000, 0.0223946300000000, -0.0561400300000000 ] - [ -0.0011203400000000, 0.0001726100000000, 0.0003182200000000 ] - [ 0.0006414200000000, -0.0008496000000000, 0.0026376900000000 ] - [ 0.0008071900000000, -0.0003638000000000, 0.0033222800000000 ] - [ -0.0009579900000000, -0.0002095600000000, -0.0025189000000000 ] - [ 0.0002558400000000, 0.0007994600000000, 0.0002071000000000 ] - [ -0.0005917700000000, -0.0012665900000000, -0.0001729600000000 ] - [ 0.0009409600000000, -0.0001487000000000, 0.0003601200000000 ] - [ -0.0010667000000000, 0.0009669200000000, 0.0000675100000000 ] - [ -0.0003163200000000, 0.0002081600000000, -0.0005476000000000 ] - [ 0.0008821600000000, 0.0003852900000000, 0.0001483200000000 ] - [ -0.0003700800000000, 0.0010601700000000, -0.0000012000000000 ] - [ 0.0027984800000000, 0.0001285300000000, 0.0009425100000000 ] - [ -0.0029533300000000, -0.0234587000000000, 0.0586181000000000 ] - [ -0.0005699800000000, -0.0009805500000000, -0.0011251900000000 ] - [ -0.0006663800000000, -0.0019008600000000, -0.0013981900000000 ] - [ 0.0014147700000000, -0.0007951900000000, -0.0014032300000000 ] - [ -0.0007681000000000, -0.0006034000000000, -0.0004159500000000 ] - [ 0.0009703100000000, 0.0005892100000000, 0.0013376800000000 ] - [ -0.0009401500000000, 0.0005112800000000, -0.0005490700000000 ] - [ 0.0008821300000000, -0.0004311400000000, 0.0003192700000000 ] - [ 0.0102306200000000, 0.0235713200000000, -0.0019474900000000 ] - [ 0.0005140100000000, 0.0001801800000000, -0.0006534700000000 ] - [ -0.0003321100000000, -0.0005679600000000, -0.0017289800000000 ] - [ 0.0005084900000000, -0.0016537400000000, 0.0017929400000000 ] - [ 0.0005099500000000, 0.0018463200000000, -0.0028744100000000 ] - [ -0.0001337100000000, 0.0000370600000000, 0.0010278500000000 ] - [ 0.0012433500000000, -0.0001931400000000, -0.0019797900000000 ] - [ -0.0008438700000000, 0.0003633200000000, -0.0002190800000000 ] - [ 0.0006310600000000, -0.0007871400000000, -0.0035797900000000 ] - [ 0.0001424600000000, -0.0012935700000000, 0.0001077000000000 ] - [ 0.0009248100000000, -0.0002564400000000, -0.0008558100000000 ] - [ -0.0057261200000000, 0.0088541000000000, 0.0088230700000000 ] - [ 0.0007013700000000, 0.0003294800000000, -0.0006574800000000 ] - [ 0.0002694300000000, 0.0003130200000000, -0.0007829700000000 ] - [ -0.0003110900000000, 0.0008479800000000, -0.0011878700000000 ] - [ 0.0002244700000000, -0.0007980400000000, 0.0005041200000000 ] - [ 0.0004960600000000, -0.0051633800000000, -0.0015331000000000 ] - [ 0.0003612300000000, -0.0003359300000000, -0.0001203600000000 ] - [ -0.0000355000000000, -0.0002501600000000, -0.0003994500000000 ] - [ -0.0069415400000000, -0.0259733900000000, -0.0015810600000000 ] - [ 0.0002283500000000, -0.0004841100000000, -0.0014406300000000 ] - [ -0.0013037800000000, 0.0036570600000000, -0.0021067500000000 ] - [ -0.0011521600000000, -0.0004356900000000, -0.0031434500000000 ] - [ 0.0002748400000000, -0.0003444200000000, 0.0005196700000000 ] - [ -0.0003761900000000, -0.0002966600000000, -0.0010842200000000 ] - [ -0.0058323500000000, 0.0009850000000000, -0.0013505200000000 ] - [ -0.0002150300000000, 0.0005300900000000, -0.0009352500000000 ] - [ -0.0002795800000000, -0.0013035800000000, 0.0004242200000000 ] - [ 0.0025172100000000, -0.0004729400000000, 0.0005132500000000 ] - [ -0.0005681600000000, -0.0013385900000000, -0.0010344700000000 ] - [ 0.0009264600000000, -0.0003786000000000, -0.0004175900000000 ] - [ 0.0005757100000000, 0.0004365200000000, 0.0015598200000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006141400000000, 0.0000302900000000, -0.0028212800000000 ] - [ -0.0003551600000000, -0.0006015500000000, 0.0007862200000000 ] - [ 0.0005689800000000, 0.0003108300000000, 0.0006282400000000 ] - [ -0.0031293300000000, -0.0018460300000000, -0.0006281100000000 ] - [ 0.0019357000000000, -0.0004911300000000, -0.0004092700000000 ] - [ -0.0002904100000000, -0.0002303500000000, 0.0000059700000000 ] - [ 0.0002690500000000, 0.0001348800000000, 0.0004884700000000 ] - [ 0.0007251300000000, -0.0001938300000000, -0.0003321700000000 ] - [ 0.0131985300000000, -0.0078990700000000, -0.0103846300000000 ] - [ -0.0011284700000000, 0.0002808700000000, 0.0001819700000000 ] - [ 0.0002138900000000, -0.0004726200000000, 0.0010328500000000 ] - [ -0.0083501100000000, 0.0105271800000000, -0.0001151100000000 ] - [ -0.0017527100000000, -0.0002955600000000, -0.0006446100000000 ] - [ 0.0003712400000000, 0.0021295500000000, 0.0044517600000000 ] - [ -0.0016978100000000, -0.0003176500000000, 0.0023070200000000 ] - [ 0.0081716400000000, -0.0003941500000000, -0.0042015200000000 ] - [ 0.0008760000000000, 0.0017119900000000, -0.0024180800000000 ] - [ -0.0010767000000000, -0.0007666900000000, 0.0029487000000000 ] - [ -0.0007309900000000, 0.0007350100000000, 0.0011750300000000 ] - [ 0.1404329100000000, 0.0293567500000000, -0.1099127600000000 ] - [ -0.0114475000000000, -0.0015861000000000, -0.0006884100000000 ] - [ 0.0009185600000000, -0.0007964200000000, 0.0012799300000000 ] - [ 0.0005153700000000, -0.0022650400000000, 0.0039803600000000 ] - [ -0.0023451000000000, 0.0002408100000000, -0.0018691800000000 ] - [ -0.0001690100000000, 0.0007138800000000, 0.0001766400000000 ] - [ 0.0001715500000000, -0.0005739700000000, -0.0002160500000000 ] - [ 0.0009992100000000, -0.0002260300000000, 0.0001783800000000 ] - [ -0.0026955900000000, -0.0000957300000000, 0.0015333700000000 ] - [ -0.0004023700000000, -0.0001597600000000, -0.0001687200000000 ] - [ 0.0008634900000000, 0.0003775800000000, 0.0000183500000000 ] - [ -0.0007618400000000, 0.0012576800000000, 0.0001405000000000 ] - [ 0.0021097300000000, -0.0016148000000000, -0.0002904000000000 ] - [ -0.0022851800000000, 0.0153938100000000, -0.0116035000000000 ] - [ -0.0000232500000000, -0.0008113000000000, -0.0007534600000000 ] - [ -0.0002151300000000, -0.0007677500000000, 0.0003835200000000 ] - [ 0.0001213200000000, 0.0004374700000000, -0.0018404800000000 ] - [ -0.0006425100000000, -0.0003447600000000, -0.0005775100000000 ] - [ 0.0015691200000000, 0.0002471300000000, 0.0013016600000000 ] - [ -0.0013961400000000, 0.0007354600000000, 0.0000245300000000 ] - [ 0.0031297000000000, 0.0013596600000000, 0.0004303700000000 ] - [ -0.1998447200000000, -0.0326868300000000, 0.1760498100000000 ] - [ 0.0009239000000000, 0.0002888900000000, -0.0000768000000000 ] - [ -0.0007016800000000, 0.0006283400000000, 0.0004858300000000 ] - [ 0.0033057700000000, -0.0006272500000000, -0.0021133000000000 ] - [ -0.0009579300000000, 0.0036004600000000, -0.0061876700000000 ] - [ 0.0003778300000000, -0.0003049100000000, 0.0003170600000000 ] - [ 0.0007408000000000, -0.0001938500000000, -0.0011497700000000 ] - [ 0.0051123000000000, -0.0002823800000000, 0.0034040700000000 ] - [ -0.0043380600000000, -0.0022415700000000, 0.0005078500000000 ] - [ 0.0006719900000000, -0.0001239600000000, -0.0002923700000000 ] - [ 0.0011646900000000, -0.0004068000000000, -0.0002899600000000 ] - [ 0.0414834700000000, -0.0063461300000000, -0.0229697500000000 ] - [ 0.0152902400000000, 0.0070850600000000, -0.0061826500000000 ] - [ 0.0003167700000000, -0.0000055100000000, -0.0004341500000000 ] - [ -0.0008474800000000, 0.0018592000000000, -0.0009471300000000 ] - [ 0.0017683500000000, -0.0011516300000000, 0.0002192000000000 ] - [ -0.0004204900000000, 0.0002453400000000, 0.0022970400000000 ] - [ 0.0004613900000000, -0.0001036000000000, -0.0009812900000000 ] - [ 0.0005011600000000, -0.0004131300000000, 0.0000312100000000 ] - [ -0.0077264400000000, 0.0013683600000000, -0.0069044500000000 ] - [ 0.0033098200000000, -0.0005433000000000, -0.0020635900000000 ] - [ -0.0011407500000000, 0.0011230500000000, -0.0016327600000000 ] - [ -0.0014589400000000, -0.0002036000000000, -0.0036804500000000 ] - [ 0.0019119300000000, -0.0003762100000000, 0.0001242200000000 ] - [ -0.0001105000000000, -0.0005915300000000, -0.0014414400000000 ] - [ -0.0009374100000000, -0.0000818500000000, 0.0009136000000000 ] - [ -0.0004004800000000, 0.0005727600000000, -0.0009503300000000 ] - [ 0.0009157500000000, -0.0025844800000000, 0.0010050000000000 ] - [ 0.0052713500000000, -0.0077083900000000, 0.0006273400000000 ] - [ -0.0002154600000000, -0.0011086400000000, -0.0003823900000000 ] - [ 0.0014660300000000, -0.0004063600000000, 0.0001478500000000 ] - [ -0.0015448800000000, -0.0015101200000000, -0.0010284100000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001612100000000, 0.0002428100000000, 0.0028431300000000 ] - [ 0.0008580900000000, 0.0003310200000000, -0.0007811100000000 ] - [ -0.0002945000000000, 0.0001867200000000, -0.0006210600000000 ] - [ 0.0028595400000000, 0.0013357500000000, 0.0006389500000000 ] - [ -0.0022135900000000, 0.0010000100000000, 0.0004017200000000 ] - [ 0.0005638100000000, -0.0002629100000000, -0.0000114200000000 ] - [ 0.0002228200000000, 0.0001385400000000, -0.0004980400000000 ] - [ -0.0013628600000000, -0.0001490100000000, 0.0002253700000000 ] - [ -0.0125393500000000, 0.0073691000000000, 0.0111019600000000 ] - [ 0.0001954100000000, 0.0006449400000000, -0.0001808200000000 ] - [ -0.0011310200000000, -0.0004486800000000, -0.0010324700000000 ] - [ 0.0092629600000000, -0.0095324900000000, 0.0001216300000000 ] - [ 0.0022307800000000, -0.0001600200000000, 0.0006395700000000 ] - [ -0.0007988500000000, -0.0017102900000000, -0.0044904300000000 ] - [ 0.0012289300000000, -0.0001500800000000, -0.0023193400000000 ] - [ -0.0077520800000000, 0.0008819800000000, 0.0042089600000000 ] - [ -0.0025409700000000, -0.0019445400000000, 0.0027162700000000 ] - [ 0.0027947400000000, 0.0010052000000000, -0.0026096600000000 ] - [ 0.0004750900000000, 0.0009506600000000, -0.0008711700000000 ] - [ -0.1367384300000000, -0.0291683400000000, 0.1040625700000000 ] - [ 0.0117287900000000, 0.0032892900000000, 0.0003577300000000 ] - [ -0.0011830000000000, -0.0008994600000000, -0.0015927700000000 ] - [ 0.0011593900000000, 0.0019992100000000, -0.0043034300000000 ] - [ 0.0006492600000000, 0.0000287900000000, 0.0015660200000000 ] - [ 0.0007106700000000, 0.0011007000000000, -0.0000591200000000 ] - [ -0.0007097200000000, -0.0012369800000000, 0.0003303900000000 ] - [ 0.0008081100000000, -0.0003110300000000, -0.0000609300000000 ] - [ 0.0008819500000000, 0.0006527000000000, -0.0014154200000000 ] - [ -0.0014043400000000, -0.0003774200000000, 0.0000508100000000 ] - [ 0.0009494900000000, 0.0001624200000000, -0.0001380200000000 ] - [ 0.0002257100000000, 0.0005520000000000, -0.0002605900000000 ] - [ -0.0015882800000000, -0.0001830700000000, 0.0001692400000000 ] - [ 0.0033048500000000, -0.0135499000000000, 0.0106686300000000 ] - [ -0.0011317800000000, -0.0009591500000000, -0.0001217300000000 ] - [ 0.0019770200000000, -0.0003881100000000, -0.0012589100000000 ] - [ -0.0019330400000000, 0.0007138600000000, 0.0009639900000000 ] - [ -0.0011207300000000, -0.0008066500000000, 0.0014571500000000 ] - [ 0.0002138900000000, 0.0009065800000000, -0.0004283700000000 ] - [ 0.0002496800000000, 0.0010497400000000, 0.0008536500000000 ] - [ -0.0019866000000000, -0.0031591500000000, 0.0004518400000000 ] - [ 0.1946535600000000, 0.0300594400000000, -0.1693728400000000 ] - [ 0.0007325000000000, 0.0001622000000000, 0.0009218200000000 ] - [ 0.0002455800000000, 0.0010189100000000, 0.0003531300000000 ] - [ -0.0028462300000000, -0.0010176900000000, 0.0029203500000000 ] - [ 0.0014332500000000, -0.0019537600000000, 0.0053728100000000 ] - [ -0.0008270900000000, -0.0013551400000000, -0.0011684500000000 ] - [ 0.0009150800000000, -0.0002556700000000, 0.0003064900000000 ] - [ -0.0067718000000000, 0.0007289200000000, -0.0042375800000000 ] - [ 0.0049457900000000, 0.0040315500000000, -0.0002565100000000 ] - [ -0.0012861700000000, -0.0016934300000000, 0.0005525000000000 ] - [ 0.0006528000000000, -0.0002000000000000, 0.0005566700000000 ] - [ -0.0423289000000000, 0.0067846900000000, 0.0227252900000000 ] - [ -0.0172984800000000, -0.0078046400000000, 0.0060187000000000 ] - [ 0.0015115900000000, 0.0006169500000000, 0.0001687600000000 ] - [ 0.0002412500000000, -0.0000386900000000, 0.0006803600000000 ] - [ -0.0011612200000000, -0.0006806700000000, -0.0004852300000000 ] - [ 0.0013737900000000, -0.0004081000000000, -0.0009314200000000 ] - [ -0.0014211800000000, 0.0002651100000000, 0.0023409300000000 ] - [ -0.0006618300000000, -0.0005406900000000, 0.0013363900000000 ] - [ 0.0077349500000000, -0.0003598600000000, 0.0085175600000000 ] - [ -0.0031687600000000, -0.0004074200000000, 0.0007201600000000 ] - [ 0.0009843400000000, -0.0001720300000000, 0.0002710500000000 ] - [ 0.0005149700000000, 0.0000502700000000, 0.0023382600000000 ] - [ -0.0009613000000000, 0.0005362600000000, -0.0014907700000000 ] - [ -0.0017297700000000, -0.0000713300000000, 0.0010376800000000 ] - [ 0.0028062100000000, 0.0007384900000000, -0.0013198400000000 ] - [ -0.0002640300000000, 0.0012832600000000, 0.0005530300000000 ] - [ -0.0002656200000000, 0.0007205800000000, -0.0013996500000000 ] - [ -0.0046436900000000, 0.0096530200000000, -0.0002523100000000 ] - [ -0.0004406500000000, -0.0007443200000000, 0.0007832600000000 ] - [ 0.0003805100000000, -0.0002570000000000, 0.0002529900000000 ] - [ -0.0003324800000000, 0.0021660600000000, 0.0014116300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000124600000000, 0.0017458300000000, 0.0003043700000000 ] - [ -0.0005364000000000, -0.0007617100000000, 0.0009631100000000 ] - [ 0.0001568600000000, 0.0006365700000000, -0.0001309100000000 ] - [ -0.0007330100000000, 0.0006842600000000, -0.0001327600000000 ] - [ 0.0011033600000000, 0.0035438200000000, -0.0015452000000000 ] - [ 0.0000771100000000, -0.0006156400000000, -0.0001090400000000 ] - [ 0.0001566900000000, -0.0004170000000000, 0.0002770800000000 ] - [ -0.0008294800000000, 0.0010232400000000, 0.0000453700000000 ] - [ -0.0102754200000000, 0.0182750500000000, 0.0155782300000000 ] - [ 0.0002895800000000, 0.0002570900000000, 0.0009040000000000 ] - [ -0.0003806600000000, -0.0017043800000000, 0.0002627200000000 ] - [ 0.0016012900000000, -0.0011054900000000, -0.0008891700000000 ] - [ -0.0000989700000000, -0.0020863000000000, -0.0001121400000000 ] - [ 0.0004034200000000, -0.0005179900000000, -0.0009214700000000 ] - [ -0.0000679500000000, 0.0008363300000000, 0.0003277700000000 ] - [ 0.0056629100000000, -0.0084809100000000, 0.0016680200000000 ] - [ -0.0029087800000000, -0.0064524600000000, -0.0003982900000000 ] - [ 0.0006366400000000, 0.0016896900000000, -0.0004196200000000 ] - [ -0.0003057000000000, 0.0011055100000000, 0.0002208100000000 ] - [ 0.0305048400000000, 0.0701528900000000, -0.0378364200000000 ] - [ -0.0015839600000000, -0.0001189600000000, 0.0004984900000000 ] - [ 0.0005671800000000, -0.0027110400000000, 0.0012812800000000 ] - [ 0.0005565100000000, -0.0000027500000000, 0.0009343400000000 ] - [ -0.0006436400000000, -0.0018003700000000, 0.0002903700000000 ] - [ 0.0001565600000000, 0.0008059700000000, 0.0000929400000000 ] - [ -0.0004097000000000, -0.0016886800000000, -0.0002139200000000 ] - [ 0.0007565500000000, -0.0000072000000000, 0.0000929000000000 ] - [ -0.0001963600000000, -0.0003858700000000, -0.0010321300000000 ] - [ -0.0011028600000000, -0.0011585000000000, -0.0001392900000000 ] - [ 0.0009091900000000, 0.0003085300000000, -0.0000104700000000 ] - [ -0.0001906000000000, 0.0008729100000000, -0.0003542100000000 ] - [ 0.0000369900000000, 0.0004934100000000, 0.0005767300000000 ] - [ 0.0196468300000000, 0.0180686800000000, -0.0245289800000000 ] - [ -0.0005948800000000, -0.0011718600000000, -0.0004819800000000 ] - [ 0.0022284700000000, 0.0005949100000000, -0.0001551800000000 ] - [ -0.0010132600000000, -0.0002309000000000, -0.0003267000000000 ] - [ -0.0006007300000000, -0.0007062900000000, 0.0001562500000000 ] - [ 0.0005884200000000, 0.0022278200000000, 0.0005252700000000 ] - [ -0.0007773600000000, 0.0021809200000000, 0.0004687200000000 ] - [ 0.0012356900000000, -0.0001801800000000, 0.0003003000000000 ] - [ -0.0319887100000000, -0.0942514500000000, 0.0308118400000000 ] - [ 0.0008909800000000, 0.0002246800000000, 0.0002962300000000 ] - [ -0.0006307900000000, 0.0039026400000000, 0.0014481900000000 ] - [ 0.0006262500000000, -0.0013014000000000, 0.0012582500000000 ] - [ 0.0004469300000000, -0.0003663400000000, -0.0017800500000000 ] - [ -0.0001390900000000, -0.0002260900000000, -0.0002119100000000 ] - [ 0.0007953500000000, 0.0002579700000000, -0.0009183100000000 ] - [ -0.0003314900000000, 0.0003012600000000, -0.0002929300000000 ] - [ 0.0033766300000000, 0.0071114200000000, 0.0039956500000000 ] - [ -0.0004934700000000, -0.0017545800000000, -0.0000353300000000 ] - [ 0.0010347100000000, -0.0002203400000000, -0.0000154500000000 ] - [ -0.0116880200000000, -0.0099926300000000, 0.0050778000000000 ] - [ 0.0031019400000000, -0.0006987700000000, -0.0023047900000000 ] - [ 0.0007993500000000, 0.0008028900000000, -0.0004932100000000 ] - [ -0.0004870600000000, 0.0010539700000000, -0.0010077200000000 ] - [ 0.0001263100000000, 0.0004358800000000, -0.0002699300000000 ] - [ 0.0006805900000000, 0.0030772600000000, 0.0019297200000000 ] - [ -0.0004524100000000, -0.0002018800000000, 0.0007026600000000 ] - [ 0.0000383100000000, -0.0003220900000000, 0.0007676700000000 ] - [ -0.0012002000000000, -0.0093971300000000, 0.0105875500000000 ] - [ 0.0007949100000000, -0.0006515400000000, -0.0016577600000000 ] - [ -0.0006138800000000, 0.0024485800000000, -0.0021556300000000 ] - [ -0.0005469000000000, -0.0002638600000000, -0.0009615300000000 ] - [ -0.0002198500000000, 0.0012726300000000, -0.0009650100000000 ] - [ -0.0013426200000000, -0.0009211600000000, 0.0005229800000000 ] - [ -0.0007094800000000, -0.0003773400000000, -0.0022270900000000 ] - [ -0.0003838000000000, 0.0010364700000000, -0.0002491600000000 ] - [ -0.0003440900000000, 0.0004456200000000, -0.0002764900000000 ] - [ -0.0048436800000000, 0.0056480200000000, 0.0019158000000000 ] - [ -0.0003312200000000, -0.0014264100000000, -0.0002056000000000 ] - [ 0.0010281400000000, 0.0001901300000000, 0.0000112700000000 ] - [ -0.0010314600000000, 0.0009646000000000, 0.0006711200000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005095000000000, -0.0014734000000000, -0.0002845100000000 ] - [ 0.0010322600000000, 0.0004889000000000, -0.0009536000000000 ] - [ 0.0001165800000000, -0.0001355800000000, 0.0001348400000000 ] - [ 0.0004663500000000, -0.0011689100000000, 0.0001437300000000 ] - [ -0.0014217300000000, -0.0033362200000000, 0.0016821400000000 ] - [ 0.0001983700000000, 0.0001169500000000, 0.0000991400000000 ] - [ 0.0003439600000000, 0.0006941100000000, -0.0002929100000000 ] - [ 0.0002922200000000, -0.0013133700000000, -0.0000739000000000 ] - [ 0.0109104900000000, -0.0192794300000000, -0.0151565400000000 ] - [ -0.0012160300000000, 0.0006757200000000, -0.0009072000000000 ] - [ -0.0005524200000000, 0.0007756300000000, -0.0002773000000000 ] - [ -0.0006430400000000, 0.0019707100000000, 0.0008993100000000 ] - [ 0.0005663000000000, 0.0016176600000000, 0.0001121500000000 ] - [ -0.0008534200000000, 0.0009419400000000, 0.0008713000000000 ] - [ -0.0003928100000000, -0.0012989600000000, -0.0003375200000000 ] - [ -0.0051927700000000, 0.0089451500000000, -0.0016412400000000 ] - [ 0.0012038800000000, 0.0061892300000000, 0.0007118100000000 ] - [ 0.0010688800000000, -0.0014207900000000, 0.0007167000000000 ] - [ 0.0000427700000000, 0.0005883400000000, 0.0000829800000000 ] - [ -0.0303472600000000, -0.0726359200000000, 0.0382328800000000 ] - [ 0.0018546800000000, 0.0017962900000000, -0.0007971700000000 ] - [ -0.0008240800000000, 0.0010094400000000, -0.0015905600000000 ] - [ 0.0011309100000000, -0.0002728700000000, -0.0012705900000000 ] - [ -0.0010316900000000, 0.0020580400000000, -0.0005897300000000 ] - [ 0.0003833900000000, 0.0010048800000000, 0.0000251600000000 ] - [ -0.0001346000000000, -0.0001235100000000, 0.0003370800000000 ] - [ 0.0010532000000000, -0.0005306500000000, 0.0000240100000000 ] - [ -0.0016212800000000, 0.0009269800000000, 0.0011476600000000 ] - [ -0.0007142300000000, 0.0006203700000000, 0.0000213800000000 ] - [ 0.0009017200000000, 0.0002302300000000, -0.0001093800000000 ] - [ -0.0003474000000000, 0.0009388800000000, 0.0002351800000000 ] - [ 0.0004920500000000, -0.0022867700000000, -0.0006990300000000 ] - [ -0.0181553100000000, -0.0159821700000000, 0.0232684400000000 ] - [ -0.0005570800000000, -0.0006100000000000, -0.0003939300000000 ] - [ -0.0004384700000000, -0.0017448900000000, -0.0007240400000000 ] - [ -0.0007867100000000, 0.0013764800000000, -0.0005410400000000 ] - [ -0.0011796800000000, -0.0004415500000000, 0.0007262500000000 ] - [ 0.0011838800000000, -0.0010784100000000, 0.0003449000000000 ] - [ -0.0003689800000000, -0.0003868300000000, 0.0004104500000000 ] - [ -0.0000933600000000, -0.0015954600000000, 0.0005750100000000 ] - [ 0.0307258500000000, 0.0944685000000000, -0.0305403700000000 ] - [ 0.0007696200000000, 0.0002257100000000, 0.0005542900000000 ] - [ 0.0001864100000000, -0.0022440500000000, -0.0005923800000000 ] - [ -0.0001907100000000, -0.0003588900000000, -0.0003977600000000 ] - [ 0.0000093200000000, 0.0020303600000000, 0.0009597400000000 ] - [ -0.0003147200000000, -0.0014365600000000, -0.0006405900000000 ] - [ 0.0008626800000000, -0.0007064600000000, 0.0000746400000000 ] - [ -0.0013483800000000, 0.0001553300000000, -0.0005720900000000 ] - [ -0.0027454200000000, -0.0052519200000000, -0.0036734300000000 ] - [ -0.0001182600000000, -0.0000725600000000, 0.0003016400000000 ] - [ 0.0007862700000000, -0.0003857400000000, 0.0002830400000000 ] - [ 0.0097400300000000, 0.0106804200000000, -0.0047154800000000 ] - [ -0.0049640700000000, 0.0000932200000000, 0.0020463800000000 ] - [ 0.0010210100000000, -0.0001950200000000, 0.0002281600000000 ] - [ -0.0001173400000000, 0.0007727100000000, 0.0007558200000000 ] - [ 0.0004736600000000, -0.0022482600000000, 0.0000004800000000 ] - [ 0.0002757300000000, -0.0032426500000000, -0.0005756500000000 ] - [ -0.0005058900000000, 0.0003613000000000, 0.0006671700000000 ] - [ -0.0001969800000000, -0.0006298900000000, 0.0005941500000000 ] - [ 0.0012840200000000, 0.0104094600000000, -0.0090847900000000 ] - [ -0.0006462400000000, -0.0002966400000000, 0.0003004500000000 ] - [ 0.0004575000000000, -0.0014921900000000, 0.0007919900000000 ] - [ -0.0003948400000000, 0.0001129200000000, -0.0003719500000000 ] - [ 0.0011653000000000, -0.0011125500000000, -0.0003983400000000 ] - [ -0.0005121700000000, 0.0002599000000000, -0.0009223100000000 ] - [ 0.0025711900000000, 0.0010246800000000, 0.0018245500000000 ] - [ -0.0002776000000000, 0.0008251800000000, -0.0001444500000000 ] - [ 0.0010153800000000, -0.0022937900000000, -0.0001300200000000 ] - [ 0.0054518600000000, -0.0037408100000000, -0.0015100700000000 ] - [ -0.0003290600000000, -0.0004282300000000, 0.0006090300000000 ] - [ 0.0008292100000000, -0.0008498300000000, 0.0003898700000000 ] - [ -0.0008233800000000, -0.0002839200000000, -0.0002740700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0035367500000000, 0.0004939200000000, 0.0002315400000000 ] - [ 0.0009798700000000, 0.0004754900000000, -0.0010281800000000 ] - [ -0.0002297400000000, 0.0000708000000000, -0.0021669600000000 ] - [ 0.0015033600000000, 0.0005398200000000, 0.0014618500000000 ] - [ -0.0012089200000000, -0.0002211200000000, 0.0025269800000000 ] - [ 0.0002092900000000, -0.0004927700000000, -0.0007052700000000 ] - [ 0.0005339700000000, 0.0001970500000000, -0.0010448900000000 ] - [ -0.0017440900000000, -0.0005947100000000, 0.0040443800000000 ] - [ -0.0110040100000000, 0.0117985500000000, 0.0226136300000000 ] - [ -0.0015968800000000, 0.0016243800000000, -0.0022446100000000 ] - [ -0.0014699400000000, -0.0004690300000000, -0.0035343300000000 ] - [ 0.0049630500000000, -0.0041988900000000, 0.0032593000000000 ] - [ 0.0005766300000000, -0.0000991700000000, 0.0011311100000000 ] - [ 0.0041196900000000, -0.0078621200000000, -0.0116458900000000 ] - [ 0.0009706300000000, -0.0003736500000000, -0.0040772600000000 ] - [ -0.0058724000000000, 0.0051869600000000, 0.0065079800000000 ] - [ -0.0049181100000000, -0.0088013100000000, 0.0062031600000000 ] - [ 0.0048197400000000, -0.0002947600000000, -0.0022694700000000 ] - [ -0.0001499600000000, 0.0004007400000000, -0.0021856200000000 ] - [ -0.1023925400000000, -0.0360512400000000, 0.1767089800000000 ] - [ 0.0083959500000000, 0.0030242800000000, 0.0009234000000000 ] - [ 0.0000286700000000, -0.0030284900000000, -0.0027979800000000 ] - [ 0.0025814500000000, 0.0047462000000000, -0.0116044600000000 ] - [ 0.0000209800000000, -0.0007672400000000, 0.0029248800000000 ] - [ 0.0004935600000000, 0.0012326900000000, -0.0002621900000000 ] - [ -0.0005881800000000, -0.0013543800000000, 0.0002891900000000 ] - [ 0.0008603900000000, -0.0003562000000000, -0.0006494500000000 ] - [ 0.0001763100000000, 0.0003141100000000, -0.0017029900000000 ] - [ -0.0014124000000000, -0.0004091500000000, 0.0003655400000000 ] - [ 0.0008695900000000, 0.0001118100000000, -0.0003840100000000 ] - [ 0.0001122400000000, 0.0004629300000000, -0.0001393300000000 ] - [ -0.0028171700000000, 0.0024168000000000, -0.0011417000000000 ] - [ -0.0096210500000000, -0.0149877100000000, 0.0019859100000000 ] - [ -0.0006496000000000, -0.0005988300000000, 0.0006370200000000 ] - [ 0.0034929400000000, 0.0009391000000000, -0.0018068600000000 ] - [ -0.0052759200000000, -0.0000370500000000, 0.0017203200000000 ] - [ -0.0021772400000000, -0.0011467500000000, 0.0028904400000000 ] - [ 0.0004792000000000, 0.0011681100000000, -0.0010100700000000 ] - [ -0.0000221500000000, 0.0032547200000000, 0.0019951500000000 ] - [ -0.0015384200000000, -0.0031477700000000, 0.0002288600000000 ] - [ 0.1685061500000000, 0.0285654600000000, -0.2617787100000000 ] - [ 0.0013301600000000, 0.0003531000000000, 0.0019556900000000 ] - [ 0.0006047900000000, 0.0033524900000000, 0.0014711100000000 ] - [ -0.0007986300000000, -0.0007668700000000, 0.0014866800000000 ] - [ -0.0011444900000000, -0.0049706100000000, 0.0131278900000000 ] - [ -0.0004371300000000, -0.0015713100000000, -0.0016262000000000 ] - [ 0.0001002900000000, 0.0002726300000000, 0.0017090000000000 ] - [ -0.0046633400000000, 0.0003633900000000, -0.0044302500000000 ] - [ 0.0068534500000000, 0.0137964700000000, 0.0021479400000000 ] - [ -0.0015142300000000, -0.0017454800000000, 0.0005797500000000 ] - [ 0.0009152800000000, -0.0001867200000000, 0.0011387300000000 ] - [ -0.0189357500000000, 0.0010467400000000, -0.0028516700000000 ] - [ -0.0145793700000000, -0.0068836100000000, 0.0020792000000000 ] - [ 0.0015671200000000, 0.0007468700000000, 0.0007906700000000 ] - [ 0.0001978200000000, -0.0006920200000000, 0.0022676100000000 ] - [ 0.0000650600000000, 0.0000627400000000, -0.0011461500000000 ] - [ 0.0007773400000000, 0.0001752700000000, -0.0034236600000000 ] - [ -0.0020372300000000, 0.0006165800000000, 0.0031779100000000 ] - [ -0.0004666000000000, -0.0006124300000000, 0.0018236500000000 ] - [ -0.0130643400000000, 0.0066136400000000, 0.0490954800000000 ] - [ -0.0012254900000000, -0.0008938600000000, 0.0004230500000000 ] - [ 0.0005109300000000, -0.0000825400000000, 0.0002664500000000 ] - [ 0.0019046500000000, 0.0003777700000000, 0.0079922600000000 ] - [ 0.0000520300000000, 0.0006721900000000, -0.0025809000000000 ] - [ -0.0020403000000000, 0.0000467400000000, 0.0011220300000000 ] - [ 0.0044175900000000, -0.0029321900000000, 0.0001751000000000 ] - [ -0.0003001100000000, 0.0017105200000000, 0.0014545200000000 ] - [ 0.0004983600000000, 0.0001310900000000, -0.0020943100000000 ] - [ -0.0033196100000000, 0.0075470300000000, -0.0032635200000000 ] - [ -0.0002613900000000, -0.0003573900000000, 0.0021525600000000 ] - [ 0.0008323100000000, -0.0006940400000000, 0.0008033500000000 ] - [ -0.0023073500000000, 0.0027722700000000, -0.0002933800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0030508200000000, -0.0002126500000000, -0.0001818600000000 ] - [ -0.0004804600000000, -0.0007470000000000, 0.0010284800000000 ] - [ 0.0005002300000000, 0.0004177800000000, 0.0021720900000000 ] - [ -0.0017710500000000, -0.0010297900000000, -0.0014500100000000 ] - [ 0.0009233700000000, 0.0006719200000000, -0.0025140600000000 ] - [ 0.0000660600000000, -0.0000047600000000, 0.0006911200000000 ] - [ -0.0000350700000000, 0.0000780400000000, 0.0010376900000000 ] - [ 0.0011837100000000, 0.0002845000000000, -0.0041025000000000 ] - [ 0.0107789300000000, -0.0117758000000000, -0.0213057400000000 ] - [ 0.0006731400000000, -0.0006988700000000, 0.0022307800000000 ] - [ 0.0005373400000000, -0.0004482100000000, 0.0035350400000000 ] - [ -0.0040018700000000, 0.0050692100000000, -0.0032667200000000 ] - [ -0.0001125100000000, -0.0003633300000000, -0.0011156600000000 ] - [ -0.0046292500000000, 0.0083828200000000, 0.0116629100000000 ] - [ -0.0014237200000000, -0.0000948400000000, 0.0040734000000000 ] - [ 0.0063165200000000, -0.0046669100000000, -0.0065211600000000 ] - [ 0.0032276000000000, 0.0085195100000000, -0.0058652600000000 ] - [ -0.0031533300000000, 0.0005721000000000, 0.0025442700000000 ] - [ -0.0001150900000000, 0.0012835400000000, 0.0024942100000000 ] - [ 0.1104616600000000, 0.0373000400000000, -0.1838206100000000 ] - [ -0.0081261200000000, -0.0013368900000000, -0.0012123100000000 ] - [ -0.0002953000000000, 0.0013596600000000, 0.0024693700000000 ] - [ -0.0008726400000000, -0.0049666800000000, 0.0112728400000000 ] - [ -0.0017106500000000, 0.0010245500000000, -0.0032396300000000 ] - [ 0.0000459100000000, 0.0005801000000000, 0.0003810400000000 ] - [ 0.0000497000000000, -0.0004569400000000, -0.0001694100000000 ] - [ 0.0009576300000000, -0.0001875700000000, 0.0007688700000000 ] - [ -0.0019961400000000, 0.0002303000000000, 0.0018227600000000 ] - [ -0.0004003300000000, -0.0001322000000000, -0.0004858600000000 ] - [ 0.0009392300000000, 0.0004272200000000, 0.0002644300000000 ] - [ -0.0006502200000000, 0.0013468000000000, 0.0000209700000000 ] - [ 0.0033797300000000, -0.0042569200000000, 0.0010124200000000 ] - [ 0.0108635700000000, 0.0168256900000000, -0.0027351400000000 ] - [ -0.0005000100000000, -0.0011802900000000, -0.0015127800000000 ] - [ -0.0016985000000000, -0.0020818800000000, 0.0009206600000000 ] - [ 0.0035356100000000, 0.0012056000000000, -0.0025904800000000 ] - [ 0.0003760500000000, -0.0000127600000000, -0.0020088800000000 ] - [ 0.0013066100000000, -0.0000152600000000, 0.0018879600000000 ] - [ -0.0011369600000000, -0.0015010500000000, -0.0011146000000000 ] - [ 0.0026815700000000, 0.0013537300000000, 0.0006434500000000 ] - [ -0.1769777500000000, -0.0328346200000000, 0.2694999700000000 ] - [ 0.0003309500000000, 0.0000982100000000, -0.0011038400000000 ] - [ -0.0010544000000000, -0.0016810600000000, -0.0006248400000000 ] - [ 0.0012458800000000, -0.0009013000000000, -0.0006089400000000 ] - [ 0.0015998900000000, 0.0065919500000000, -0.0138424600000000 ] - [ -0.0000134500000000, -0.0000873400000000, 0.0007825000000000 ] - [ 0.0015595500000000, -0.0007259800000000, -0.0025508700000000 ] - [ 0.0029782100000000, 0.0000888700000000, 0.0035534900000000 ] - [ -0.0061917000000000, -0.0118763800000000, -0.0018625800000000 ] - [ 0.0009155100000000, -0.0000715700000000, -0.0003054700000000 ] - [ 0.0009054200000000, -0.0004170800000000, -0.0008730400000000 ] - [ 0.0169681700000000, -0.0003745800000000, 0.0033239900000000 ] - [ 0.0126500000000000, 0.0062062800000000, -0.0023607000000000 ] - [ 0.0002487500000000, -0.0001489600000000, -0.0010521600000000 ] - [ -0.0007990900000000, 0.0024861900000000, -0.0025332700000000 ] - [ 0.0005411900000000, -0.0018791000000000, 0.0008819200000000 ] - [ 0.0001700000000000, -0.0003298000000000, 0.0047626100000000 ] - [ 0.0010864000000000, -0.0004598100000000, -0.0018062200000000 ] - [ 0.0003085900000000, -0.0003384700000000, -0.0004651900000000 ] - [ 0.0135003900000000, -0.0057989200000000, -0.0488933000000000 ] - [ 0.0013808700000000, -0.0000629100000000, -0.0017885600000000 ] - [ -0.0006643700000000, 0.0010210700000000, -0.0016096800000000 ] - [ -0.0028633000000000, -0.0005379000000000, -0.0093572100000000 ] - [ 0.0009035800000000, -0.0005185400000000, 0.0012185000000000 ] - [ 0.0002098600000000, -0.0007158200000000, -0.0015496600000000 ] - [ -0.0025683400000000, 0.0036083200000000, -0.0005521300000000 ] - [ -0.0003609800000000, 0.0001384800000000, -0.0018512200000000 ] - [ 0.0001615700000000, -0.0019739500000000, 0.0016898600000000 ] - [ 0.0039955700000000, -0.0056899000000000, 0.0035991300000000 ] - [ -0.0004086900000000, -0.0014875200000000, -0.0017479800000000 ] - [ 0.0010219100000000, 0.0000266500000000, -0.0004087800000000 ] - [ 0.0004740500000000, -0.0021170000000000, 0.0007140600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0043252500000000, -0.0033106700000000, 0.0002487600000000 ] - [ 0.0003198900000000, -0.0000206700000000, 0.0000365400000000 ] - [ 0.0019356600000000, 0.0011415800000000, 0.0002715800000000 ] - [ -0.0016618400000000, 0.0003713800000000, 0.0009488000000000 ] - [ 0.0006967300000000, -0.0007852500000000, 0.0001502500000000 ] - [ -0.0000984600000000, -0.0004083300000000, -0.0000176700000000 ] - [ -0.0001074100000000, 0.0012616400000000, 0.0005989700000000 ] - [ -0.0007401400000000, -0.0006476200000000, -0.0002780700000000 ] - [ 0.0326471500000000, 0.0156446100000000, 0.0069767100000000 ] - [ -0.0016511300000000, 0.0014317000000000, -0.0002648300000000 ] - [ 0.0004188000000000, -0.0023466400000000, -0.0029892100000000 ] - [ -0.0002770200000000, -0.0009207000000000, 0.0013750500000000 ] - [ -0.0089869600000000, -0.0087739200000000, -0.0005553400000000 ] - [ 0.0008632500000000, -0.0007279000000000, 0.0000281100000000 ] - [ -0.0033281900000000, -0.0019733200000000, 0.0019481400000000 ] - [ 0.0041331800000000, 0.0037186200000000, -0.0031953400000000 ] - [ 0.0968593400000000, 0.0959376900000000, -0.0166043000000000 ] - [ 0.0008723500000000, 0.0000623300000000, 0.0002548100000000 ] - [ -0.0015847100000000, 0.0025684300000000, -0.0027534300000000 ] - [ 0.0060490500000000, 0.0020900800000000, -0.0032140700000000 ] - [ -0.0031999700000000, -0.0010346100000000, -0.0000968700000000 ] - [ 0.0006158300000000, -0.0011477900000000, -0.0004548200000000 ] - [ -0.0001443300000000, -0.0041496900000000, 0.0038366000000000 ] - [ -0.0028604500000000, -0.0000266700000000, 0.0011934900000000 ] - [ -0.0005920700000000, 0.0007061000000000, 0.0001682200000000 ] - [ -0.0000864000000000, -0.0008447100000000, 0.0001940300000000 ] - [ 0.0009249900000000, -0.0002972500000000, -0.0000285100000000 ] - [ -0.0027696500000000, 0.0022311700000000, 0.0013101900000000 ] - [ 0.0004462500000000, -0.0003239200000000, 0.0005748800000000 ] - [ 0.0007752700000000, 0.0001571400000000, -0.0002267400000000 ] - [ -0.0014592700000000, 0.0029789300000000, -0.0005544100000000 ] - [ 0.0004063600000000, -0.0008622200000000, 0.0001116600000000 ] - [ -0.0012566000000000, -0.0002577200000000, -0.0007664800000000 ] - [ 0.0013032400000000, -0.0023087600000000, 0.0000108100000000 ] - [ 0.0369471700000000, 0.0348191600000000, -0.0090472700000000 ] - [ -0.0010932200000000, 0.0005872200000000, -0.0003909900000000 ] - [ -0.0003977100000000, 0.0003036600000000, -0.0001918900000000 ] - [ 0.0021124400000000, -0.0001862700000000, 0.0004457700000000 ] - [ -0.0007922900000000, 0.0012489200000000, 0.0004449300000000 ] - [ 0.0015937900000000, 0.0003548300000000, 0.0003603400000000 ] - [ -0.0054451500000000, 0.0028206600000000, 0.0069139200000000 ] - [ 0.0018058100000000, 0.0000425700000000, 0.0016405800000000 ] - [ -0.0106344600000000, 0.0072508600000000, 0.0010705000000000 ] - [ 0.0003089800000000, -0.0007262100000000, 0.0003081100000000 ] - [ -0.0001531100000000, 0.0082299700000000, -0.0069295000000000 ] - [ 0.0002718800000000, -0.0011391200000000, -0.0008738800000000 ] - [ 0.0002886000000000, -0.0000439400000000, 0.0000695300000000 ] - [ 0.0006331500000000, 0.0003994800000000, -0.0001871500000000 ] - [ -0.1574947700000000, -0.1548890000000000, 0.0140959900000000 ] - [ -0.0000678600000000, -0.0009648500000000, 0.0000558200000000 ] - [ 0.0015818700000000, -0.0006098500000000, 0.0012617800000000 ] - [ -0.0031207100000000, 0.0006209000000000, -0.0002583400000000 ] - [ 0.0013037500000000, 0.0020166400000000, -0.0001388800000000 ] - [ 0.0007375300000000, 0.0001344600000000, -0.0001164900000000 ] - [ -0.0015358100000000, 0.0040543700000000, -0.0002512500000000 ] - [ 0.0010044300000000, -0.0009921800000000, -0.0004469200000000 ] - [ -0.0111234300000000, -0.0024617800000000, 0.0014940200000000 ] - [ -0.0002142200000000, 0.0001247100000000, 0.0006961700000000 ] - [ 0.0027909100000000, -0.0023617800000000, 0.0035445100000000 ] - [ -0.0006955400000000, 0.0004307500000000, 0.0020630800000000 ] - [ 0.0020071300000000, 0.0004028600000000, -0.0003999000000000 ] - [ -0.0004022300000000, 0.0003820100000000, -0.0007042800000000 ] - [ -0.0010252500000000, 0.0002620800000000, -0.0021356700000000 ] - [ 0.0043257500000000, -0.0004718900000000, -0.0030613300000000 ] - [ 0.0063850600000000, 0.0002896000000000, -0.0035286300000000 ] - [ 0.0008354200000000, 0.0002872900000000, 0.0006654300000000 ] - [ -0.0005911900000000, 0.0013238600000000, 0.0002654800000000 ] - [ -0.0006030000000000, 0.0022405900000000, -0.0029410800000000 ] - [ 0.0078342600000000, -0.0033803800000000, 0.0074596600000000 ] - [ -0.0001336000000000, -0.0011290800000000, -0.0005171000000000 ] - [ 0.0013324500000000, 0.0010032100000000, 0.0014563100000000 ] - [ -0.0013648000000000, 0.0005926700000000, -0.0004289000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0047116000000000, 0.0034045000000000, -0.0002288300000000 ] - [ 0.0001834700000000, -0.0002546200000000, -0.0000291100000000 ] - [ -0.0016756300000000, -0.0006570700000000, -0.0002758800000000 ] - [ 0.0013950700000000, -0.0008648200000000, -0.0009353400000000 ] - [ -0.0009853100000000, 0.0013104400000000, -0.0001595900000000 ] - [ 0.0003730600000000, -0.0000874700000000, 0.0000080800000000 ] - [ 0.0005899900000000, -0.0010010400000000, -0.0006121900000000 ] - [ 0.0002414000000000, 0.0003780900000000, 0.0002708500000000 ] - [ -0.0333024800000000, -0.0180806600000000, -0.0073784300000000 ] - [ 0.0007254000000000, -0.0005134700000000, 0.0002632900000000 ] - [ -0.0012962600000000, 0.0014653900000000, 0.0030618100000000 ] - [ 0.0012111100000000, 0.0018549800000000, -0.0013755500000000 ] - [ 0.0094739000000000, 0.0082803200000000, 0.0005493100000000 ] - [ -0.0013314500000000, 0.0012030100000000, -0.0000303800000000 ] - [ 0.0028764300000000, 0.0015317500000000, -0.0019737800000000 ] - [ -0.0037561600000000, -0.0033080200000000, 0.0031646600000000 ] - [ -0.0986481200000000, -0.0936301100000000, 0.0163693000000000 ] - [ 0.0008236400000000, 0.0002012700000000, 0.0000518400000000 ] - [ 0.0013538500000000, -0.0008959500000000, 0.0030356900000000 ] - [ -0.0058017300000000, -0.0038194700000000, 0.0035366000000000 ] - [ 0.0034668000000000, 0.0027346400000000, -0.0002076200000000 ] - [ -0.0008996500000000, -0.0005305500000000, 0.0001430200000000 ] - [ 0.0018232600000000, 0.0039318200000000, -0.0041641500000000 ] - [ 0.0011597300000000, 0.0002706300000000, -0.0014858200000000 ] - [ 0.0011301900000000, 0.0011123400000000, -0.0000463100000000 ] - [ -0.0004503200000000, -0.0009626200000000, -0.0000795800000000 ] - [ 0.0008844300000000, -0.0002398200000000, 0.0001474600000000 ] - [ 0.0009620100000000, -0.0016918300000000, -0.0011981600000000 ] - [ -0.0022156500000000, -0.0001950800000000, -0.0006966700000000 ] - [ 0.0010378300000000, 0.0003839700000000, 0.0001073600000000 ] - [ 0.0009207900000000, -0.0011745500000000, 0.0004399400000000 ] - [ 0.0001306100000000, -0.0009487600000000, -0.0002327500000000 ] - [ 0.0024099800000000, 0.0020616900000000, -0.0000951700000000 ] - [ -0.0024705900000000, 0.0005451400000000, -0.0008789900000000 ] - [ -0.0344923400000000, -0.0353898900000000, 0.0079719100000000 ] - [ -0.0006860500000000, 0.0005647200000000, -0.0004850200000000 ] - [ -0.0013693600000000, -0.0014674000000000, 0.0010726900000000 ] - [ -0.0003172400000000, 0.0013480100000000, 0.0004274200000000 ] - [ -0.0003539100000000, 0.0005183600000000, 0.0004306400000000 ] - [ -0.0004470200000000, -0.0021342700000000, 0.0005141700000000 ] - [ 0.0038410200000000, -0.0032957500000000, -0.0061322600000000 ] - [ -0.0001531800000000, 0.0004121000000000, -0.0007898400000000 ] - [ 0.0100438100000000, -0.0058789800000000, -0.0003519000000000 ] - [ 0.0001389800000000, -0.0009317000000000, 0.0005369900000000 ] - [ 0.0006337600000000, -0.0066603600000000, 0.0061618400000000 ] - [ -0.0007203300000000, -0.0005153200000000, 0.0000217600000000 ] - [ 0.0013768200000000, -0.0004087100000000, -0.0009266200000000 ] - [ -0.0022946800000000, 0.0000469600000000, -0.0006630500000000 ] - [ 0.1593079300000000, 0.1557886100000000, -0.0126272400000000 ] - [ -0.0005426500000000, -0.0008572500000000, 0.0002095500000000 ] - [ 0.0002097100000000, 0.0000182000000000, -0.0009970600000000 ] - [ 0.0013004000000000, -0.0000074000000000, 0.0005194200000000 ] - [ -0.0031171400000000, -0.0026188700000000, -0.0001270800000000 ] - [ 0.0010962500000000, 0.0004766800000000, -0.0001476800000000 ] - [ 0.0009515200000000, -0.0022826400000000, -0.0000228600000000 ] - [ -0.0003969600000000, -0.0008257300000000, 0.0001785800000000 ] - [ 0.0120486000000000, 0.0020958100000000, 0.0000259100000000 ] - [ -0.0007425200000000, 0.0000330100000000, 0.0006712100000000 ] - [ -0.0029503700000000, 0.0014102300000000, -0.0021571400000000 ] - [ 0.0008571200000000, 0.0005268000000000, -0.0007065200000000 ] - [ -0.0018547700000000, -0.0013656400000000, -0.0009680400000000 ] - [ 0.0002517800000000, 0.0005678500000000, -0.0006468900000000 ] - [ 0.0000802700000000, -0.0004253100000000, 0.0007852200000000 ] - [ -0.0033619300000000, 0.0006398800000000, 0.0016760600000000 ] - [ -0.0083441500000000, -0.0009688900000000, 0.0031913000000000 ] - [ 0.0010250000000000, 0.0003749000000000, -0.0010694100000000 ] - [ -0.0000723700000000, 0.0005258200000000, -0.0006657600000000 ] - [ 0.0012224800000000, -0.0040898600000000, 0.0025275500000000 ] - [ -0.0072742500000000, 0.0052895600000000, -0.0072061100000000 ] - [ -0.0005240600000000, -0.0007223500000000, 0.0009251200000000 ] - [ 0.0004937000000000, -0.0016701300000000, -0.0010500500000000 ] - [ -0.0004918600000000, 0.0000648600000000, 0.0008282900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017185500000000, 0.0046949000000000, -0.0004688800000000 ] - [ 0.0001323000000000, 0.0004117600000000, 0.0001845200000000 ] - [ 0.0010764600000000, 0.0035867900000000, 0.0005741400000000 ] - [ -0.0003725500000000, 0.0010075500000000, 0.0001265400000000 ] - [ 0.0015936500000000, -0.0048585800000000, 0.0002866800000000 ] - [ 0.0000440600000000, -0.0007593600000000, 0.0000011600000000 ] - [ 0.0021634900000000, 0.0002661500000000, -0.0009742100000000 ] - [ -0.0009523800000000, -0.0009901700000000, -0.0003812100000000 ] - [ 0.0145142500000000, 0.0128475100000000, 0.0026616400000000 ] - [ -0.0010939800000000, 0.0022349200000000, 0.0001122700000000 ] - [ -0.0044804000000000, -0.0073979900000000, -0.0108538800000000 ] - [ 0.0000176700000000, -0.0034682800000000, 0.0007692400000000 ] - [ -0.0074176700000000, -0.0056043200000000, -0.0006143000000000 ] - [ 0.0010934000000000, -0.0024019700000000, -0.0000562100000000 ] - [ -0.0022015600000000, -0.0006668300000000, 0.0019305100000000 ] - [ 0.0062960000000000, 0.0085942600000000, 0.0047082900000000 ] - [ 0.1003656600000000, 0.2655841600000000, -0.0467771400000000 ] - [ 0.0013876500000000, 0.0003569900000000, 0.0004592200000000 ] - [ -0.0022181300000000, 0.0049260400000000, -0.0010945300000000 ] - [ 0.0075359300000000, 0.0038337300000000, -0.0095858600000000 ] - [ -0.0013869600000000, -0.0032113900000000, -0.0005395000000000 ] - [ 0.0018154100000000, -0.0027091900000000, -0.0000504200000000 ] - [ -0.0007826400000000, -0.0106964000000000, 0.0078415600000000 ] - [ -0.0002569900000000, 0.0000500000000000, 0.0011823100000000 ] - [ -0.0000424300000000, -0.0003334700000000, -0.0000380200000000 ] - [ -0.0003881300000000, -0.0012935800000000, 0.0005827800000000 ] - [ 0.0006528900000000, -0.0001782000000000, 0.0001207300000000 ] - [ -0.0014067200000000, 0.0013559200000000, 0.0012914300000000 ] - [ -0.0042736800000000, -0.0029427000000000, 0.0006020100000000 ] - [ 0.0007634800000000, -0.0000748600000000, -0.0000733800000000 ] - [ -0.0006930400000000, 0.0027270500000000, -0.0006871200000000 ] - [ -0.0000106700000000, -0.0005064200000000, -0.0000338800000000 ] - [ 0.0000122500000000, -0.0036871200000000, 0.0012707600000000 ] - [ 0.0001351800000000, -0.0035887000000000, -0.0008215300000000 ] - [ 0.0218296200000000, 0.0079641300000000, -0.0052620200000000 ] - [ -0.0014907400000000, 0.0006746200000000, -0.0004521000000000 ] - [ 0.0004543800000000, 0.0017067600000000, -0.0011677600000000 ] - [ -0.0002368000000000, 0.0003248000000000, -0.0001994700000000 ] - [ -0.0008316300000000, 0.0024249200000000, 0.0003750300000000 ] - [ 0.0013194000000000, 0.0017443900000000, 0.0003285300000000 ] - [ -0.0039637900000000, 0.0059250100000000, 0.0132053500000000 ] - [ 0.0016157500000000, -0.0006151500000000, 0.0012598300000000 ] - [ 0.0105878500000000, 0.0431831400000000, 0.0185966600000000 ] - [ 0.0001031700000000, -0.0005728500000000, 0.0004285900000000 ] - [ 0.0042445100000000, 0.0170314700000000, -0.0139669600000000 ] - [ -0.0003384400000000, -0.0014289700000000, -0.0010819000000000 ] - [ -0.0001228800000000, -0.0000919600000000, 0.0011718400000000 ] - [ -0.0005925000000000, 0.0015697400000000, 0.0005452500000000 ] - [ -0.1589249500000000, -0.3663907000000000, 0.0536319500000000 ] - [ -0.0003561000000000, -0.0013854100000000, -0.0000026000000000 ] - [ 0.0035203100000000, -0.0025256600000000, 0.0014618500000000 ] - [ -0.0035098800000000, 0.0009919600000000, 0.0016786100000000 ] - [ 0.0008366100000000, 0.0019195900000000, 0.0000390200000000 ] - [ 0.0002074000000000, 0.0001211600000000, -0.0000966000000000 ] - [ -0.0034797800000000, 0.0096543400000000, 0.0003100600000000 ] - [ 0.0003866100000000, -0.0002242500000000, -0.0005434200000000 ] - [ 0.0033641800000000, 0.0189609500000000, -0.0208298300000000 ] - [ -0.0002952800000000, 0.0002187400000000, 0.0004578700000000 ] - [ 0.0016967600000000, -0.0023311600000000, 0.0024598000000000 ] - [ -0.0004753800000000, 0.0006350500000000, 0.0041298600000000 ] - [ -0.0002972800000000, 0.0013457500000000, -0.0007273300000000 ] - [ -0.0006841500000000, 0.0007527800000000, -0.0020751800000000 ] - [ -0.0010904000000000, 0.0014306700000000, -0.0033731200000000 ] - [ 0.0024954100000000, -0.0003769400000000, -0.0020742000000000 ] - [ 0.0045437600000000, -0.0023226400000000, -0.0023687600000000 ] - [ 0.0011479900000000, -0.0004858800000000, 0.0000836100000000 ] - [ -0.0004810500000000, 0.0019732100000000, 0.0003064700000000 ] - [ 0.0031765800000000, 0.0034981100000000, -0.0016560100000000 ] - [ 0.0032066300000000, -0.0057883200000000, 0.0040091600000000 ] - [ 0.0001346900000000, -0.0015217100000000, -0.0005461300000000 ] - [ 0.0035374300000000, 0.0034696900000000, 0.0008183100000000 ] - [ -0.0011412900000000, 0.0014324200000000, -0.0005299800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014355200000000, -0.0046407800000000, 0.0004932300000000 ] - [ 0.0003642200000000, -0.0006820700000000, -0.0001746900000000 ] - [ -0.0008019500000000, -0.0030957300000000, -0.0005587300000000 ] - [ 0.0000961500000000, -0.0015084300000000, -0.0001202300000000 ] - [ -0.0018559200000000, 0.0053460800000000, -0.0002887000000000 ] - [ 0.0002300800000000, 0.0002634500000000, -0.0000111500000000 ] - [ -0.0016602800000000, 0.0000262800000000, 0.0009686900000000 ] - [ 0.0004576600000000, 0.0007133700000000, 0.0003730900000000 ] - [ -0.0147362000000000, -0.0143759200000000, -0.0028702000000000 ] - [ 0.0001667500000000, -0.0013046500000000, -0.0001136500000000 ] - [ 0.0035158900000000, 0.0064651500000000, 0.0107855100000000 ] - [ 0.0009033200000000, 0.0043917600000000, -0.0007663400000000 ] - [ 0.0078862000000000, 0.0051697200000000, 0.0006218700000000 ] - [ -0.0015592600000000, 0.0028587300000000, 0.0000505200000000 ] - [ 0.0017374900000000, 0.0001807200000000, -0.0019244900000000 ] - [ -0.0057992500000000, -0.0080770100000000, -0.0047366000000000 ] - [ -0.0938810600000000, -0.2506440100000000, 0.0430066100000000 ] - [ 0.0003021300000000, -0.0001011300000000, -0.0001512500000000 ] - [ 0.0019481700000000, -0.0032254900000000, 0.0014174300000000 ] - [ -0.0072852700000000, -0.0055643900000000, 0.0099061700000000 ] - [ 0.0016418900000000, 0.0048988700000000, 0.0002353100000000 ] - [ -0.0020654100000000, 0.0010228000000000, -0.0002605600000000 ] - [ 0.0024835500000000, 0.0104154400000000, -0.0081678000000000 ] - [ -0.0014278100000000, 0.0002241700000000, -0.0015027000000000 ] - [ 0.0005854200000000, 0.0021436600000000, 0.0001521200000000 ] - [ -0.0001515800000000, -0.0005184700000000, -0.0004612500000000 ] - [ 0.0011597900000000, -0.0003658900000000, -0.0000026200000000 ] - [ -0.0004144600000000, -0.0007991400000000, -0.0011667200000000 ] - [ 0.0024383100000000, 0.0023903700000000, -0.0007296400000000 ] - [ 0.0010456600000000, 0.0006112800000000, -0.0000463700000000 ] - [ 0.0001457400000000, -0.0009088900000000, 0.0005712300000000 ] - [ 0.0005511600000000, -0.0013076400000000, -0.0000837700000000 ] - [ 0.0011433100000000, 0.0054780500000000, -0.0021303900000000 ] - [ -0.0012885900000000, 0.0018054100000000, -0.0000603900000000 ] - [ -0.0199778200000000, -0.0092280300000000, 0.0043505600000000 ] - [ -0.0002874900000000, 0.0004834800000000, -0.0004258900000000 ] - [ -0.0022539900000000, -0.0028552100000000, 0.0020539800000000 ] - [ 0.0020101800000000, 0.0008198700000000, 0.0010769500000000 ] - [ -0.0003219200000000, -0.0006495300000000, 0.0005027200000000 ] - [ -0.0001654900000000, -0.0035230100000000, 0.0005452200000000 ] - [ 0.0023098100000000, -0.0064319000000000, -0.0124689500000000 ] - [ 0.0000451900000000, 0.0010625800000000, -0.0004159600000000 ] - [ -0.0108382200000000, -0.0406281000000000, -0.0173154200000000 ] - [ 0.0003469200000000, -0.0010832500000000, 0.0004171100000000 ] - [ -0.0038275500000000, -0.0155572900000000, 0.0132653000000000 ] - [ -0.0001121000000000, -0.0002326400000000, 0.0002376200000000 ] - [ 0.0017734100000000, -0.0003685300000000, -0.0020038400000000 ] - [ -0.0010628000000000, -0.0011190100000000, -0.0013949500000000 ] - [ 0.1519054100000000, 0.3529352400000000, -0.0491850400000000 ] - [ -0.0002484200000000, -0.0004319200000000, 0.0002689000000000 ] - [ -0.0016834000000000, 0.0018952200000000, -0.0011939300000000 ] - [ 0.0016937000000000, -0.0003796200000000, -0.0014154800000000 ] - [ -0.0026492700000000, -0.0025011700000000, -0.0003021200000000 ] - [ 0.0016061400000000, 0.0004799000000000, -0.0001699500000000 ] - [ 0.0028569500000000, -0.0078236200000000, -0.0005600100000000 ] - [ 0.0002210500000000, -0.0016016200000000, 0.0002795500000000 ] - [ -0.0023393000000000, -0.0188414800000000, 0.0218167900000000 ] - [ -0.0006572900000000, -0.0000574300000000, 0.0009063000000000 ] - [ -0.0018515900000000, 0.0013748700000000, -0.0011058100000000 ] - [ 0.0006330100000000, 0.0003233600000000, -0.0027783100000000 ] - [ 0.0004651700000000, -0.0022931300000000, -0.0006328900000000 ] - [ 0.0005234700000000, 0.0001952000000000, 0.0007127700000000 ] - [ 0.0001424900000000, -0.0015729400000000, 0.0020361500000000 ] - [ -0.0015391000000000, 0.0005227700000000, 0.0007193100000000 ] - [ -0.0063944000000000, 0.0016918600000000, 0.0019678600000000 ] - [ 0.0007064000000000, 0.0011504700000000, -0.0004754400000000 ] - [ -0.0001780100000000, -0.0001173100000000, -0.0007025400000000 ] - [ -0.0024957700000000, -0.0053520700000000, 0.0012678100000000 ] - [ -0.0025031400000000, 0.0076488500000000, -0.0035770200000000 ] - [ -0.0007940100000000, -0.0003257500000000, 0.0009435700000000 ] - [ -0.0016584000000000, -0.0041241900000000, -0.0004286000000000 ] - [ -0.0007112100000000, -0.0007705300000000, 0.0009301000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005852400000000, 0.0000903400000000, 0.0015413000000000 ] - [ 0.0002309900000000, -0.0002600200000000, -0.0011772000000000 ] - [ 0.0000650700000000, 0.0003738000000000, 0.0029491200000000 ] - [ 0.0001299400000000, -0.0005550600000000, -0.0001557000000000 ] - [ -0.0003752700000000, 0.0009984100000000, 0.0016378700000000 ] - [ 0.0001766400000000, -0.0002047800000000, -0.0005195800000000 ] - [ 0.0015307800000000, -0.0006654600000000, -0.0001455600000000 ] - [ -0.0006127400000000, -0.0002721700000000, -0.0003211000000000 ] - [ 0.0097737100000000, 0.0047136700000000, 0.0094084000000000 ] - [ -0.0004848600000000, 0.0002136100000000, -0.0022427700000000 ] - [ -0.0027717800000000, -0.0023240200000000, -0.0027023600000000 ] - [ 0.0014264700000000, 0.0009831900000000, -0.0007478800000000 ] - [ 0.0016414800000000, 0.0012587700000000, 0.0022468600000000 ] - [ -0.0003293200000000, 0.0005790000000000, -0.0027468400000000 ] - [ 0.0006462600000000, 0.0004145300000000, -0.0003308000000000 ] - [ -0.0043241000000000, 0.0000524000000000, -0.0077662300000000 ] - [ -0.0183464300000000, -0.0443226000000000, 0.0635458500000000 ] - [ 0.0003023600000000, 0.0001670300000000, -0.0014455300000000 ] - [ -0.0022214300000000, 0.0000701400000000, 0.0011085800000000 ] - [ 0.0015220000000000, -0.0052887100000000, -0.0032948400000000 ] - [ -0.0001370300000000, 0.0012053000000000, 0.0015722300000000 ] - [ 0.0001823400000000, -0.0007334500000000, -0.0041450700000000 ] - [ 0.0022354100000000, 0.0014455900000000, -0.0028083900000000 ] - [ -0.0022458300000000, 0.0002039300000000, -0.0011853200000000 ] - [ 0.0004125700000000, 0.0008345500000000, -0.0001215600000000 ] - [ -0.0002162900000000, -0.0008065300000000, -0.0003213000000000 ] - [ 0.0012652300000000, -0.0002262700000000, -0.0002704400000000 ] - [ -0.0010676900000000, 0.0010128300000000, 0.0010490700000000 ] - [ 0.0020981100000000, 0.0015805800000000, -0.0002363200000000 ] - [ 0.0007739800000000, 0.0002861300000000, -0.0000500700000000 ] - [ -0.0003021100000000, 0.0004136200000000, 0.0003973100000000 ] - [ 0.0000986200000000, -0.0008502300000000, -0.0004209300000000 ] - [ 0.0002891300000000, 0.0032845000000000, 0.0032801000000000 ] - [ 0.0001163900000000, -0.0006352700000000, -0.0004161700000000 ] - [ -0.0051060900000000, -0.0062037600000000, -0.0091221600000000 ] - [ -0.0005152400000000, 0.0002409900000000, 0.0005503000000000 ] - [ -0.0022280100000000, -0.0007912000000000, 0.0009605600000000 ] - [ 0.0022750000000000, 0.0001532900000000, 0.0010889200000000 ] - [ -0.0006273000000000, 0.0008744400000000, 0.0014932000000000 ] - [ 0.0005855100000000, -0.0011204900000000, -0.0001988900000000 ] - [ -0.0004499600000000, 0.0035886200000000, 0.0024168400000000 ] - [ 0.0012512700000000, 0.0003956600000000, 0.0008622200000000 ] - [ 0.0046510700000000, 0.0236836000000000, -0.0027082700000000 ] - [ 0.0003765100000000, -0.0012551800000000, 0.0014314700000000 ] - [ -0.0019541900000000, -0.0053025700000000, 0.0018091800000000 ] - [ 0.0001355000000000, -0.0005266300000000, 0.0005016900000000 ] - [ 0.0000174200000000, 0.0006608600000000, 0.0019744100000000 ] - [ -0.0011833000000000, 0.0000886600000000, -0.0014379300000000 ] - [ 0.0137104800000000, 0.0523545600000000, -0.0723478400000000 ] - [ -0.0002241400000000, -0.0007726600000000, 0.0007655100000000 ] - [ 0.0024555100000000, 0.0000936000000000, 0.0001928500000000 ] - [ -0.0022339200000000, 0.0014290000000000, 0.0001998900000000 ] - [ -0.0007428300000000, -0.0003087000000000, -0.0009122100000000 ] - [ 0.0008720800000000, 0.0002867300000000, 0.0009150300000000 ] - [ -0.0004100300000000, 0.0004593200000000, 0.0004937000000000 ] - [ 0.0006145700000000, -0.0013225300000000, 0.0002399000000000 ] - [ -0.0037704700000000, -0.0272480700000000, 0.0096658600000000 ] - [ -0.0006798200000000, 0.0001108100000000, 0.0014787400000000 ] - [ -0.0004713900000000, 0.0001983200000000, -0.0008918700000000 ] - [ 0.0003647200000000, 0.0017464400000000, 0.0028959800000000 ] - [ 0.0002856200000000, -0.0009899600000000, -0.0017250100000000 ] - [ 0.0003057900000000, -0.0004057700000000, 0.0022516900000000 ] - [ -0.0005641300000000, -0.0008983000000000, 0.0008268900000000 ] - [ 0.0008435600000000, -0.0003374700000000, -0.0005761800000000 ] - [ -0.0030997300000000, -0.0007080200000000, -0.0011201500000000 ] - [ 0.0016740700000000, 0.0004392900000000, 0.0012185000000000 ] - [ -0.0000860900000000, 0.0010255600000000, 0.0002624100000000 ] - [ -0.0018063900000000, -0.0025938600000000, -0.0006443300000000 ] - [ 0.0048312800000000, 0.0006983300000000, 0.0003808900000000 ] - [ -0.0010957300000000, -0.0007340600000000, 0.0012002200000000 ] - [ 0.0019622500000000, -0.0002725600000000, -0.0006312600000000 ] - [ -0.0008608200000000, 0.0002263500000000, 0.0010745100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000681500000000, 0.0001961100000000, -0.0015346500000000 ] - [ 0.0002610100000000, -0.0000187400000000, 0.0011822100000000 ] - [ 0.0002467700000000, 0.0000967000000000, -0.0026250900000000 ] - [ -0.0004036800000000, 0.0000531800000000, 0.0001584700000000 ] - [ 0.0000959500000000, -0.0004885900000000, -0.0016509300000000 ] - [ 0.0000981200000000, -0.0002908000000000, 0.0005108300000000 ] - [ -0.0010352500000000, 0.0009333700000000, 0.0001417600000000 ] - [ 0.0001182800000000, -0.0000000200000000, 0.0003109200000000 ] - [ -0.0086771700000000, -0.0055607200000000, -0.0092394200000000 ] - [ -0.0004333100000000, 0.0007047600000000, 0.0022413500000000 ] - [ 0.0018614800000000, 0.0014202900000000, 0.0027611000000000 ] - [ -0.0005006700000000, -0.0000458400000000, 0.0007376200000000 ] - [ -0.0011267200000000, -0.0016831800000000, -0.0022451900000000 ] - [ -0.0001414400000000, -0.0000999900000000, 0.0027449200000000 ] - [ -0.0011060600000000, -0.0008796200000000, 0.0003370300000000 ] - [ 0.0048012800000000, 0.0003861700000000, 0.0077652600000000 ] - [ 0.0165168700000000, 0.0436056000000000, -0.0624777900000000 ] - [ 0.0013740400000000, 0.0000970600000000, 0.0017526300000000 ] - [ 0.0019549300000000, 0.0016045200000000, -0.0007795300000000 ] - [ -0.0012684100000000, 0.0036244000000000, 0.0036059600000000 ] - [ 0.0004057400000000, 0.0004934200000000, -0.0018846300000000 ] - [ -0.0004434100000000, -0.0009549300000000, 0.0038333500000000 ] - [ -0.0005453400000000, -0.0016825000000000, 0.0025099400000000 ] - [ 0.0005607900000000, 0.0000613600000000, 0.0008598000000000 ] - [ 0.0001305600000000, 0.0009811100000000, 0.0002420900000000 ] - [ -0.0003242300000000, -0.0010055200000000, 0.0004391900000000 ] - [ 0.0005495200000000, -0.0003115100000000, 0.0003881800000000 ] - [ -0.0007480200000000, -0.0004764400000000, -0.0009325500000000 ] - [ -0.0039188200000000, -0.0021191100000000, 0.0001109300000000 ] - [ 0.0010380500000000, 0.0002555700000000, -0.0000682400000000 ] - [ -0.0002360900000000, 0.0013962700000000, -0.0005179000000000 ] - [ 0.0004434900000000, -0.0009608700000000, 0.0003006600000000 ] - [ 0.0008694300000000, -0.0015122100000000, -0.0042046900000000 ] - [ -0.0012653800000000, -0.0011348400000000, -0.0004658000000000 ] - [ 0.0068096300000000, 0.0049529900000000, 0.0083061900000000 ] - [ -0.0012544300000000, 0.0009043600000000, -0.0014238000000000 ] - [ 0.0004467900000000, -0.0003675500000000, -0.0000846000000000 ] - [ -0.0004985000000000, 0.0009984300000000, -0.0002082800000000 ] - [ -0.0005243000000000, 0.0009019700000000, -0.0006159400000000 ] - [ 0.0005621500000000, -0.0006647200000000, 0.0010754900000000 ] - [ -0.0012117100000000, -0.0040806200000000, -0.0015954300000000 ] - [ 0.0004028800000000, 0.0000580100000000, -0.0000250400000000 ] - [ -0.0051421700000000, -0.0220080100000000, 0.0034666700000000 ] - [ 0.0000777200000000, -0.0004044000000000, -0.0005836500000000 ] - [ 0.0023971100000000, 0.0068938800000000, -0.0026278100000000 ] - [ -0.0005865800000000, -0.0011278400000000, -0.0013402800000000 ] - [ 0.0016430300000000, -0.0011028700000000, -0.0028254900000000 ] - [ -0.0004747100000000, 0.0003593500000000, 0.0005939200000000 ] - [ -0.0130167100000000, -0.0503695700000000, 0.0715298500000000 ] - [ -0.0003811100000000, -0.0010473000000000, -0.0004982600000000 ] - [ -0.0006346100000000, -0.0006882400000000, 0.0000614600000000 ] - [ 0.0004194700000000, -0.0008270600000000, 0.0000685400000000 ] - [ -0.0010869300000000, -0.0003001500000000, 0.0006470000000000 ] - [ 0.0009487300000000, 0.0003215600000000, -0.0011811000000000 ] - [ -0.0001857300000000, 0.0013336200000000, -0.0007670800000000 ] - [ -0.0000080100000000, -0.0005022000000000, -0.0005023800000000 ] - [ 0.0047220800000000, 0.0274681300000000, -0.0084084600000000 ] - [ -0.0002701700000000, 0.0000444700000000, -0.0001200400000000 ] - [ 0.0003088100000000, -0.0011403600000000, 0.0022318800000000 ] - [ -0.0002097800000000, -0.0008023100000000, -0.0015395600000000 ] - [ -0.0001333300000000, 0.0000346800000000, 0.0003632600000000 ] - [ -0.0004613200000000, 0.0013579200000000, -0.0036085300000000 ] - [ -0.0003899100000000, 0.0007264900000000, -0.0021862600000000 ] - [ 0.0000944400000000, 0.0004925200000000, -0.0007695400000000 ] - [ 0.0012294300000000, 0.0000480200000000, 0.0007193400000000 ] - [ 0.0001766500000000, 0.0002240000000000, -0.0016150800000000 ] - [ -0.0005743100000000, 0.0008244700000000, -0.0006658600000000 ] - [ 0.0024754000000000, 0.0007251200000000, 0.0002629600000000 ] - [ -0.0042078300000000, 0.0011685900000000, 0.0000109200000000 ] - [ 0.0004261200000000, -0.0011201800000000, -0.0008016700000000 ] - [ -0.0001174400000000, -0.0004027500000000, 0.0010214400000000 ] - [ -0.0009912700000000, 0.0004330600000000, -0.0006725500000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003228200000000, 0.0010664300000000, 0.0000006000000000 ] - [ 0.0004968800000000, -0.0000326200000000, 0.0000889000000000 ] - [ 0.0006355100000000, 0.0007446900000000, -0.0005916400000000 ] - [ -0.0014817200000000, 0.0003721300000000, 0.0009695200000000 ] - [ 0.0022101900000000, -0.0030594200000000, -0.0005504400000000 ] - [ -0.0001770000000000, -0.0001906700000000, -0.0003782200000000 ] - [ 0.0000276300000000, 0.0001620200000000, 0.0006404900000000 ] - [ -0.0006500100000000, -0.0000071200000000, -0.0002256200000000 ] - [ 0.0021439500000000, -0.0034082800000000, 0.0038873700000000 ] - [ -0.0017730100000000, 0.0003740800000000, -0.0017741000000000 ] - [ 0.0003410000000000, -0.0019908800000000, -0.0028682300000000 ] - [ -0.0013843200000000, -0.0024231100000000, 0.0037498800000000 ] - [ -0.0097079800000000, -0.0062995000000000, -0.0010112800000000 ] - [ 0.0007873700000000, -0.0000462700000000, -0.0004595200000000 ] - [ -0.0014428900000000, -0.0001104100000000, -0.0001018200000000 ] - [ 0.0176982400000000, 0.0105040600000000, 0.0141655100000000 ] - [ 0.0870014600000000, -0.0275152400000000, 0.0720037200000000 ] - [ 0.0008328500000000, -0.0000990600000000, -0.0002905200000000 ] - [ -0.0012768400000000, 0.0016501800000000, -0.0036344200000000 ] - [ 0.0013174000000000, -0.0037717700000000, 0.0001657900000000 ] - [ -0.0025905800000000, 0.0000473300000000, -0.0000404600000000 ] - [ -0.0008358800000000, 0.0001968300000000, -0.0039564700000000 ] - [ 0.0009793800000000, -0.0006309900000000, 0.0000722300000000 ] - [ -0.0108179200000000, -0.0010027500000000, 0.0012067100000000 ] - [ -0.0002861900000000, 0.0006659500000000, 0.0002148400000000 ] - [ 0.0006461500000000, -0.0004386500000000, 0.0003487100000000 ] - [ 0.0009749000000000, -0.0003159100000000, -0.0000753200000000 ] - [ -0.0031154800000000, 0.0015566300000000, -0.0001291300000000 ] - [ -0.0035634700000000, -0.0071861400000000, 0.0031644400000000 ] - [ 0.0008093200000000, 0.0001765300000000, -0.0002052800000000 ] - [ -0.0011921000000000, 0.0014333800000000, 0.0003530700000000 ] - [ 0.0004331300000000, -0.0011706600000000, -0.0000930500000000 ] - [ -0.0035442200000000, 0.0043447000000000, -0.0004495800000000 ] - [ 0.0001851500000000, -0.0017333700000000, 0.0003989100000000 ] - [ 0.0275762800000000, -0.0133430000000000, 0.0261848500000000 ] - [ -0.0009523600000000, 0.0006869600000000, -0.0002158200000000 ] - [ -0.0008729000000000, -0.0004312300000000, 0.0004451500000000 ] - [ 0.0113969300000000, -0.0009666400000000, 0.0035741500000000 ] - [ -0.0007874900000000, 0.0001818900000000, 0.0011110600000000 ] - [ 0.0021193900000000, -0.0002079200000000, 0.0002420200000000 ] - [ -0.0017256700000000, -0.0000185000000000, 0.0007342500000000 ] - [ 0.0017697300000000, 0.0002521500000000, 0.0019863400000000 ] - [ -0.0101942300000000, -0.0000592900000000, 0.0065201900000000 ] - [ 0.0003780300000000, -0.0008925800000000, 0.0005590200000000 ] - [ 0.0000524000000000, 0.0007710200000000, -0.0008460300000000 ] - [ 0.0017391800000000, -0.0001894700000000, 0.0001183500000000 ] - [ -0.0001486100000000, -0.0001516400000000, 0.0019397500000000 ] - [ 0.0006094800000000, 0.0009218400000000, 0.0000069300000000 ] - [ -0.0112898500000000, 0.0038302000000000, -0.0041862900000000 ] - [ -0.0000367900000000, -0.0007268000000000, 0.0003345900000000 ] - [ 0.0010496800000000, -0.0002471800000000, 0.0014061500000000 ] - [ -0.0027657900000000, 0.0021922700000000, -0.0005363500000000 ] - [ 0.0009159600000000, 0.0005830200000000, -0.0006416300000000 ] - [ 0.0011887300000000, 0.0002076600000000, 0.0007436800000000 ] - [ -0.0008490200000000, 0.0015183300000000, -0.0002233300000000 ] - [ 0.0041375900000000, -0.0029182400000000, -0.0005111400000000 ] - [ -0.1207759700000000, 0.0287730700000000, -0.1233418700000000 ] - [ -0.0004367200000000, 0.0000929400000000, 0.0010560300000000 ] - [ 0.0022454700000000, -0.0009186600000000, 0.0030773700000000 ] - [ -0.0003195900000000, 0.0009216600000000, 0.0009620000000000 ] - [ 0.0008794400000000, -0.0002693800000000, -0.0008770200000000 ] - [ -0.0005813200000000, -0.0015591800000000, 0.0040886700000000 ] - [ -0.0006000300000000, -0.0000705700000000, -0.0005002800000000 ] - [ 0.0050271300000000, 0.0000151500000000, -0.0033486000000000 ] - [ 0.0000925000000000, -0.0003232400000000, -0.0015869400000000 ] - [ 0.0012819000000000, 0.0008257100000000, 0.0008028500000000 ] - [ -0.0005399100000000, 0.0011982000000000, 0.0002998400000000 ] - [ 0.0098241700000000, 0.0105444300000000, -0.0031591800000000 ] - [ 0.0075629100000000, 0.0074097300000000, -0.0019920700000000 ] - [ -0.0001329500000000, -0.0008228800000000, 0.0005893900000000 ] - [ 0.0011318400000000, 0.0009255800000000, 0.0015322200000000 ] - [ -0.0019732500000000, 0.0004024700000000, -0.0009439100000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008049200000000, -0.0007998400000000, 0.0000036300000000 ] - [ 0.0000039600000000, -0.0002399400000000, -0.0000759800000000 ] - [ -0.0003584200000000, -0.0002526500000000, 0.0006152800000000 ] - [ 0.0012133600000000, -0.0008640900000000, -0.0009576800000000 ] - [ -0.0024791100000000, 0.0036022700000000, 0.0005385600000000 ] - [ 0.0004519300000000, -0.0003082200000000, 0.0003747900000000 ] - [ 0.0004576900000000, 0.0001120200000000, -0.0006545500000000 ] - [ 0.0001493900000000, -0.0002710700000000, 0.0002189000000000 ] - [ -0.0012999400000000, 0.0024675900000000, -0.0039317700000000 ] - [ 0.0008441100000000, 0.0005587100000000, 0.0017899300000000 ] - [ -0.0012300900000000, 0.0011088600000000, 0.0029193700000000 ] - [ 0.0023160700000000, 0.0033274300000000, -0.0037317400000000 ] - [ 0.0101691100000000, 0.0058184900000000, 0.0009797700000000 ] - [ -0.0012505600000000, 0.0005059200000000, 0.0004694500000000 ] - [ 0.0009721300000000, -0.0003541800000000, 0.0001009300000000 ] - [ -0.0175724200000000, -0.0104912900000000, -0.0150082900000000 ] - [ -0.0888448900000000, 0.0265672300000000, -0.0700271900000000 ] - [ 0.0008645200000000, 0.0003605600000000, 0.0006108100000000 ] - [ 0.0010362300000000, 0.0000350800000000, 0.0039243500000000 ] - [ -0.0010519600000000, 0.0020530900000000, 0.0001477100000000 ] - [ 0.0028478500000000, 0.0016325900000000, -0.0002863200000000 ] - [ 0.0005645200000000, -0.0018861900000000, 0.0036811400000000 ] - [ 0.0006965000000000, 0.0003700600000000, -0.0003667000000000 ] - [ 0.0091750700000000, 0.0012748300000000, -0.0015054000000000 ] - [ 0.0008272200000000, 0.0011479500000000, -0.0000927600000000 ] - [ -0.0011884800000000, -0.0013728400000000, -0.0002300800000000 ] - [ 0.0008345100000000, -0.0002230100000000, 0.0001957900000000 ] - [ 0.0013163000000000, -0.0010111200000000, 0.0002536700000000 ] - [ 0.0018159200000000, 0.0066070800000000, -0.0032725200000000 ] - [ 0.0010040300000000, 0.0003639600000000, 0.0000860400000000 ] - [ 0.0006527400000000, 0.0003802700000000, -0.0004772500000000 ] - [ 0.0001036800000000, -0.0006384100000000, -0.0000263500000000 ] - [ 0.0047123000000000, -0.0025312600000000, -0.0004067700000000 ] - [ -0.0013378500000000, -0.0000490600000000, -0.0012726000000000 ] - [ -0.0252355600000000, 0.0118740900000000, -0.0265727700000000 ] - [ -0.0008367200000000, 0.0004627300000000, -0.0006648300000000 ] - [ -0.0008976700000000, -0.0007179400000000, 0.0004281000000000 ] - [ -0.0097154600000000, 0.0021604000000000, -0.0027532000000000 ] - [ -0.0003580500000000, 0.0016039500000000, -0.0002426500000000 ] - [ -0.0009716800000000, -0.0015690400000000, 0.0006412800000000 ] - [ 0.0000686900000000, -0.0004211700000000, 0.0001240700000000 ] - [ -0.0001136800000000, 0.0001977600000000, -0.0011389400000000 ] - [ 0.0096139700000000, 0.0016685400000000, -0.0058931000000000 ] - [ 0.0000690900000000, -0.0007654500000000, 0.0002852000000000 ] - [ 0.0004064800000000, 0.0009069200000000, -0.0000136400000000 ] - [ -0.0022002400000000, -0.0014848100000000, -0.0009845600000000 ] - [ 0.0018257800000000, -0.0003017000000000, -0.0028247500000000 ] - [ -0.0022643100000000, -0.0004642900000000, -0.0008463600000000 ] - [ 0.0118827500000000, -0.0018703700000000, 0.0043031300000000 ] - [ -0.0005665000000000, -0.0010904100000000, -0.0000742400000000 ] - [ 0.0007377000000000, -0.0003429100000000, -0.0011432300000000 ] - [ 0.0009380600000000, -0.0015788400000000, 0.0007998000000000 ] - [ -0.0027246800000000, -0.0011857900000000, 0.0003819700000000 ] - [ 0.0006318500000000, 0.0003946600000000, -0.0010173900000000 ] - [ 0.0002566700000000, 0.0002861500000000, -0.0000476500000000 ] - [ -0.0035496600000000, 0.0011146800000000, 0.0002388800000000 ] - [ 0.1217409500000000, -0.0277687800000000, 0.1237935500000000 ] - [ -0.0005135600000000, 0.0000650600000000, 0.0002962600000000 ] - [ -0.0023986200000000, -0.0000328500000000, -0.0017040300000000 ] - [ 0.0004821800000000, 0.0000375600000000, 0.0004003800000000 ] - [ -0.0007249200000000, -0.0006766200000000, -0.0004714900000000 ] - [ 0.0004405000000000, 0.0025238200000000, -0.0054977700000000 ] - [ -0.0003478300000000, -0.0000871000000000, -0.0008649900000000 ] - [ -0.0040884800000000, 0.0001408000000000, 0.0019956900000000 ] - [ -0.0019382200000000, -0.0003454500000000, 0.0011961200000000 ] - [ 0.0005841300000000, -0.0001534100000000, -0.0011987000000000 ] - [ -0.0001283300000000, 0.0006547400000000, -0.0007044700000000 ] - [ -0.0090218900000000, -0.0122037700000000, 0.0027468600000000 ] - [ -0.0069832800000000, -0.0056686800000000, 0.0024213200000000 ] - [ -0.0005284100000000, -0.0010327500000000, -0.0001929500000000 ] - [ 0.0007043400000000, -0.0015963500000000, -0.0011229800000000 ] - [ 0.0001141100000000, 0.0002657600000000, 0.0013359000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010025200000000, -0.0019209000000000, -0.0001240900000000 ] - [ 0.0001945900000000, 0.0004926500000000, 0.0001853300000000 ] - [ 0.0003426400000000, 0.0006030300000000, 0.0013941500000000 ] - [ 0.0002175100000000, -0.0003987400000000, -0.0004023800000000 ] - [ -0.0028920800000000, 0.0090806600000000, 0.0031966300000000 ] - [ 0.0001399800000000, -0.0003063700000000, 0.0002126300000000 ] - [ 0.0006554600000000, 0.0008779700000000, -0.0003309200000000 ] - [ -0.0002793200000000, -0.0009491300000000, 0.0002946100000000 ] - [ -0.0061178600000000, -0.0082268300000000, -0.0006881300000000 ] - [ -0.0006886700000000, 0.0013459300000000, 0.0002642800000000 ] - [ -0.0014415900000000, -0.0005676300000000, -0.0009277100000000 ] - [ -0.0006728800000000, -0.0037950300000000, 0.0026631900000000 ] - [ -0.0003353600000000, 0.0054587300000000, -0.0035230500000000 ] - [ 0.0003391600000000, -0.0015347100000000, 0.0002799000000000 ] - [ -0.0005708400000000, -0.0013401900000000, 0.0003885800000000 ] - [ 0.0143148600000000, 0.0192956600000000, 0.0155827600000000 ] - [ -0.0271552900000000, 0.0903305100000000, -0.0710795300000000 ] - [ 0.0012512000000000, -0.0005025200000000, 0.0005845700000000 ] - [ -0.0001898100000000, 0.0014716500000000, 0.0015899600000000 ] - [ -0.0002836100000000, -0.0084627700000000, 0.0008066200000000 ] - [ 0.0003621700000000, -0.0004395500000000, -0.0013697000000000 ] - [ 0.0006926900000000, -0.0013373700000000, 0.0014423100000000 ] - [ 0.0007963200000000, -0.0029604600000000, 0.0005125500000000 ] - [ 0.0006990800000000, 0.0022336300000000, -0.0005790400000000 ] - [ 0.0003038600000000, 0.0006181800000000, 0.0000927200000000 ] - [ -0.0003282800000000, -0.0009640500000000, 0.0011314200000000 ] - [ 0.0008705300000000, -0.0003997800000000, 0.0000363000000000 ] - [ -0.0013163800000000, 0.0018675400000000, -0.0000101900000000 ] - [ -0.0106048000000000, -0.0030348400000000, 0.0017587300000000 ] - [ 0.0008630100000000, 0.0001071400000000, -0.0001054600000000 ] - [ -0.0003238700000000, 0.0012138300000000, -0.0000210100000000 ] - [ -0.0000118100000000, -0.0009760200000000, -0.0001483000000000 ] - [ -0.0006028700000000, 0.0106224000000000, 0.0046353200000000 ] - [ -0.0006756200000000, -0.0011308600000000, -0.0008528100000000 ] - [ -0.0096410900000000, -0.0094553400000000, -0.0074376000000000 ] - [ -0.0011921400000000, 0.0009796400000000, -0.0004806200000000 ] - [ -0.0007055600000000, 0.0000865500000000, 0.0002893900000000 ] - [ -0.0019559200000000, -0.0006248100000000, -0.0007837000000000 ] - [ -0.0007243400000000, 0.0012411200000000, 0.0000776200000000 ] - [ 0.0004468700000000, -0.0001680600000000, 0.0008636100000000 ] - [ -0.0005007500000000, 0.0029383100000000, 0.0006699500000000 ] - [ 0.0006410800000000, -0.0000554000000000, -0.0001209700000000 ] - [ 0.0009815500000000, -0.0069270700000000, 0.0136281800000000 ] - [ 0.0001083600000000, -0.0002453100000000, 0.0000305600000000 ] - [ 0.0009452800000000, 0.0040646500000000, -0.0017172900000000 ] - [ -0.0007619500000000, -0.0018927800000000, -0.0010097600000000 ] - [ 0.0009607500000000, -0.0004152000000000, -0.0008900900000000 ] - [ -0.0003711000000000, 0.0014206400000000, 0.0001768800000000 ] - [ -0.0019813000000000, 0.0196381100000000, -0.0269582100000000 ] - [ -0.0002582300000000, -0.0007723100000000, 0.0000984300000000 ] - [ 0.0014599900000000, -0.0010773300000000, -0.0001593500000000 ] - [ -0.0026848800000000, 0.0031760400000000, -0.0002570500000000 ] - [ -0.0013030100000000, 0.0016307700000000, 0.0000787100000000 ] - [ 0.0003082400000000, -0.0000227800000000, -0.0005190400000000 ] - [ -0.0006434000000000, 0.0024054400000000, 0.0006821800000000 ] - [ 0.0008645000000000, -0.0013663400000000, -0.0005493700000000 ] - [ 0.0285470900000000, -0.1316003100000000, 0.0695250500000000 ] - [ -0.0004619600000000, 0.0003456800000000, 0.0005371500000000 ] - [ -0.0007186400000000, -0.0008774000000000, -0.0002015700000000 ] - [ 0.0007119900000000, 0.0027951500000000, 0.0020559900000000 ] - [ -0.0002622500000000, 0.0003263300000000, 0.0000928400000000 ] - [ -0.0005755700000000, -0.0000360000000000, -0.0033380600000000 ] - [ -0.0004842300000000, 0.0006400600000000, -0.0008683500000000 ] - [ 0.0005376400000000, -0.0014994400000000, 0.0001570700000000 ] - [ 0.0001985800000000, 0.0000496900000000, -0.0009631000000000 ] - [ 0.0014664400000000, 0.0000952600000000, 0.0003414500000000 ] - [ -0.0002376200000000, 0.0011834400000000, -0.0002784100000000 ] - [ 0.0143266700000000, 0.0063991800000000, -0.0001766800000000 ] - [ 0.0047670300000000, 0.0012714500000000, 0.0006916600000000 ] - [ -0.0002094200000000, -0.0008475100000000, 0.0000217900000000 ] - [ 0.0010534000000000, -0.0004204500000000, 0.0010370700000000 ] - [ -0.0012067400000000, 0.0012445800000000, -0.0012365800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015072400000000, 0.0021888100000000, 0.0001299500000000 ] - [ 0.0003019600000000, -0.0007666400000000, -0.0001746900000000 ] - [ -0.0000724000000000, -0.0001153000000000, -0.0013833200000000 ] - [ -0.0004894100000000, -0.0001049200000000, 0.0004060100000000 ] - [ 0.0024107800000000, -0.0080734300000000, -0.0030273600000000 ] - [ 0.0001344000000000, -0.0001887800000000, -0.0002190700000000 ] - [ -0.0001650900000000, -0.0006006800000000, 0.0003255100000000 ] - [ -0.0002147100000000, 0.0006741800000000, -0.0002990200000000 ] - [ 0.0070661400000000, 0.0072909700000000, 0.0006901700000000 ] - [ -0.0002344900000000, -0.0004231200000000, -0.0002586300000000 ] - [ 0.0005353600000000, -0.0003106500000000, 0.0009733900000000 ] - [ 0.0015918700000000, 0.0047139500000000, -0.0026498100000000 ] - [ 0.0008296100000000, -0.0058707700000000, 0.0034996400000000 ] - [ -0.0008080700000000, 0.0020046800000000, -0.0002703400000000 ] - [ 0.0001091900000000, 0.0008667200000000, -0.0003901600000000 ] - [ -0.0141286800000000, -0.0187273600000000, -0.0159778600000000 ] - [ 0.0263024000000000, -0.0903833800000000, 0.0732713000000000 ] - [ 0.0004350200000000, 0.0007603300000000, -0.0002680900000000 ] - [ -0.0000574200000000, 0.0002068400000000, -0.0012658000000000 ] - [ 0.0005451000000000, 0.0067792900000000, -0.0004913800000000 ] - [ -0.0000866800000000, 0.0021363800000000, 0.0010454000000000 ] - [ -0.0009612000000000, -0.0003452200000000, -0.0017391200000000 ] - [ 0.0008921500000000, 0.0027125500000000, -0.0008367200000000 ] - [ -0.0024011600000000, -0.0019613200000000, 0.0002618900000000 ] - [ 0.0002384000000000, 0.0011959300000000, 0.0000281500000000 ] - [ -0.0002117400000000, -0.0008471400000000, -0.0010046700000000 ] - [ 0.0009417300000000, -0.0001404400000000, 0.0000829100000000 ] - [ -0.0005015200000000, -0.0013305100000000, 0.0001278300000000 ] - [ 0.0087251200000000, 0.0024907800000000, -0.0019043900000000 ] - [ 0.0009494000000000, 0.0004336300000000, -0.0000138300000000 ] - [ -0.0002135700000000, 0.0005943800000000, -0.0000982900000000 ] - [ 0.0005529300000000, -0.0008369300000000, 0.0000297800000000 ] - [ 0.0017848400000000, -0.0089198100000000, -0.0056032000000000 ] - [ -0.0004784900000000, -0.0006417600000000, -0.0000274300000000 ] - [ 0.0114042600000000, 0.0084102000000000, 0.0065158600000000 ] - [ -0.0005881600000000, 0.0001706000000000, -0.0003984500000000 ] - [ -0.0010764300000000, -0.0012389800000000, 0.0005894800000000 ] - [ 0.0037353900000000, 0.0017715000000000, 0.0016614800000000 ] - [ -0.0004241600000000, 0.0005352500000000, 0.0007948400000000 ] - [ 0.0006980500000000, -0.0016208300000000, 0.0000172200000000 ] - [ -0.0011579400000000, -0.0033791500000000, 0.0001720700000000 ] - [ 0.0010132200000000, 0.0005065400000000, 0.0009612100000000 ] - [ -0.0015004500000000, 0.0085369400000000, -0.0129289300000000 ] - [ 0.0003418300000000, -0.0014125400000000, 0.0008146000000000 ] - [ -0.0004968900000000, -0.0024101700000000, 0.0008818300000000 ] - [ 0.0003124300000000, 0.0002295100000000, 0.0001600600000000 ] - [ 0.0007099000000000, -0.0000361500000000, 0.0000199500000000 ] - [ -0.0012870600000000, -0.0009668300000000, -0.0010212200000000 ] - [ 0.0025714400000000, -0.0181731100000000, 0.0277585100000000 ] - [ -0.0003437100000000, -0.0010416100000000, 0.0001646500000000 ] - [ 0.0003430000000000, 0.0004817400000000, 0.0004140000000000 ] - [ 0.0008704200000000, -0.0025709700000000, 0.0005223300000000 ] - [ -0.0005329100000000, -0.0022262700000000, -0.0003403600000000 ] - [ 0.0015087100000000, 0.0006252600000000, 0.0002493400000000 ] - [ 0.0000505700000000, -0.0006069300000000, -0.0009422500000000 ] - [ -0.0002521200000000, -0.0004602900000000, 0.0002820500000000 ] - [ -0.0280044000000000, 0.1308329500000000, -0.0700819800000000 ] - [ -0.0004878500000000, -0.0001866200000000, 0.0008181700000000 ] - [ 0.0005514000000000, -0.0000720900000000, 0.0015510900000000 ] - [ -0.0005576100000000, -0.0018502700000000, -0.0007060800000000 ] - [ 0.0004150300000000, -0.0012760700000000, -0.0014433200000000 ] - [ 0.0004182400000000, 0.0009814700000000, 0.0019567300000000 ] - [ -0.0004641500000000, -0.0007997100000000, -0.0004874400000000 ] - [ 0.0004106100000000, 0.0016505200000000, -0.0015083600000000 ] - [ -0.0020574800000000, -0.0007081400000000, 0.0005660800000000 ] - [ 0.0003867800000000, 0.0005738000000000, -0.0007393500000000 ] - [ -0.0004268200000000, 0.0006664000000000, -0.0001252400000000 ] - [ -0.0134501800000000, -0.0081454800000000, -0.0001989900000000 ] - [ -0.0041313000000000, 0.0005861000000000, -0.0002895900000000 ] - [ -0.0004564500000000, -0.0010024600000000, 0.0003766100000000 ] - [ 0.0007878100000000, -0.0002567600000000, -0.0006321000000000 ] - [ -0.0006475700000000, -0.0005786200000000, 0.0016267400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012560400000000, 0.0018363400000000, 0.0010213000000000 ] - [ 0.0014393300000000, -0.0004365300000000, -0.0021902400000000 ] - [ 0.0002280800000000, 0.0016134100000000, -0.0028664900000000 ] - [ -0.0001793500000000, -0.0002467900000000, 0.0011603200000000 ] - [ -0.0002671200000000, 0.0022551400000000, 0.0040961100000000 ] - [ -0.0000228800000000, -0.0001691600000000, -0.0010776200000000 ] - [ 0.0023717900000000, -0.0001481800000000, -0.0012059200000000 ] - [ -0.0005526000000000, 0.0001660200000000, 0.0001502100000000 ] - [ 0.0078142900000000, 0.0028593600000000, 0.0065425900000000 ] - [ -0.0018895900000000, 0.0000366800000000, -0.0037136100000000 ] - [ -0.0053893600000000, -0.0084725000000000, -0.0114865300000000 ] - [ 0.0018912400000000, 0.0019904900000000, 0.0004083300000000 ] - [ -0.0047858200000000, -0.0059862000000000, 0.0055610300000000 ] - [ 0.0002298500000000, 0.0010246500000000, -0.0039379800000000 ] - [ -0.0003495200000000, 0.0003630200000000, -0.0012525900000000 ] - [ 0.0126595200000000, 0.0100240100000000, 0.0230005800000000 ] - [ 0.0724520700000000, -0.0752199900000000, 0.2135818500000000 ] - [ 0.0010408100000000, -0.0000588300000000, -0.0021330100000000 ] - [ -0.0035163800000000, 0.0019877000000000, -0.0023871500000000 ] - [ -0.0032403000000000, -0.0112488500000000, 0.0047264500000000 ] - [ 0.0000421300000000, 0.0007105100000000, 0.0026536800000000 ] - [ -0.0024012800000000, 0.0016583400000000, -0.0126429700000000 ] - [ 0.0023292500000000, -0.0017518000000000, -0.0032104900000000 ] - [ -0.0087890900000000, -0.0022935600000000, 0.0012873500000000 ] - [ -0.0000432100000000, 0.0005260200000000, -0.0003708100000000 ] - [ 0.0005746300000000, 0.0005069500000000, -0.0009918900000000 ] - [ 0.0011805300000000, -0.0004029700000000, -0.0002881600000000 ] - [ -0.0011141900000000, 0.0011482200000000, 0.0002269700000000 ] - [ 0.0070630600000000, 0.0057324300000000, 0.0056029600000000 ] - [ 0.0006634100000000, 0.0001418100000000, -0.0002078100000000 ] - [ -0.0006789400000000, 0.0011613900000000, 0.0004390700000000 ] - [ 0.0000430900000000, -0.0012076800000000, -0.0004970200000000 ] - [ -0.0025744500000000, 0.0176165800000000, 0.0017925300000000 ] - [ 0.0004592900000000, -0.0019357700000000, 0.0003574600000000 ] - [ 0.0187623800000000, -0.0070172100000000, 0.0017619000000000 ] - [ -0.0009991500000000, 0.0006509800000000, 0.0006399100000000 ] - [ -0.0021877200000000, -0.0001189900000000, 0.0011943300000000 ] - [ 0.0114797300000000, -0.0011502000000000, 0.0018617600000000 ] - [ -0.0003210700000000, -0.0005609800000000, 0.0029025000000000 ] - [ 0.0006842200000000, -0.0007124600000000, -0.0007629800000000 ] - [ 0.0007840700000000, 0.0010209600000000, -0.0036644900000000 ] - [ 0.0024931800000000, 0.0002084700000000, 0.0029143800000000 ] - [ 0.0097050600000000, 0.0086368200000000, 0.0500117800000000 ] - [ 0.0001415500000000, -0.0014814200000000, 0.0015702300000000 ] - [ -0.0007522100000000, -0.0005590600000000, 0.0006748200000000 ] - [ 0.0012449500000000, 0.0001245700000000, 0.0005182100000000 ] - [ -0.0021859700000000, 0.0000669200000000, 0.0082575100000000 ] - [ -0.0016394300000000, -0.0000592000000000, -0.0023253400000000 ] - [ 0.0010603400000000, -0.0205440100000000, 0.0091824500000000 ] - [ -0.0003152100000000, -0.0006858800000000, 0.0009332000000000 ] - [ 0.0043844200000000, -0.0017015100000000, 0.0023513300000000 ] - [ -0.0026872800000000, 0.0031476600000000, -0.0014220300000000 ] - [ -0.0009544700000000, -0.0000209500000000, -0.0011786900000000 ] - [ 0.0022930300000000, 0.0003301300000000, 0.0027912500000000 ] - [ -0.0017748000000000, 0.0036321200000000, 0.0013700800000000 ] - [ 0.0026631900000000, -0.0023012800000000, -0.0000337900000000 ] - [ -0.1255467200000000, 0.0734484500000000, -0.3101735500000000 ] - [ -0.0008556100000000, 0.0002219600000000, 0.0021782200000000 ] - [ 0.0012991400000000, -0.0007563300000000, 0.0017827600000000 ] - [ 0.0009581800000000, 0.0028662400000000, 0.0017956200000000 ] - [ 0.0008499100000000, -0.0006788600000000, -0.0018377500000000 ] - [ 0.0025671700000000, -0.0042975300000000, 0.0143044000000000 ] - [ -0.0002935200000000, 0.0001123000000000, 0.0016210500000000 ] - [ 0.0031434500000000, 0.0009108200000000, -0.0037041700000000 ] - [ -0.0014149000000000, -0.0008098700000000, -0.0009946900000000 ] - [ 0.0022978100000000, 0.0009416600000000, 0.0011166200000000 ] - [ -0.0003585000000000, 0.0015175400000000, 0.0014052300000000 ] - [ -0.0055514200000000, -0.0035561700000000, -0.0062761900000000 ] - [ 0.0042458100000000, 0.0051643700000000, -0.0054808900000000 ] - [ -0.0004392300000000, -0.0004967400000000, 0.0015632600000000 ] - [ 0.0034102600000000, 0.0017211200000000, -0.0003310100000000 ] - [ -0.0016228600000000, -0.0009947300000000, 0.0013342700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007579300000000, -0.0015629500000000, -0.0010081500000000 ] - [ -0.0009541900000000, 0.0001670500000000, 0.0022010800000000 ] - [ 0.0000451300000000, -0.0011018800000000, 0.0028721300000000 ] - [ -0.0000975800000000, -0.0002513500000000, -0.0011577000000000 ] - [ -0.0000090200000000, -0.0017549200000000, -0.0041257500000000 ] - [ 0.0002983000000000, -0.0003298000000000, 0.0010670500000000 ] - [ -0.0018582300000000, 0.0004227700000000, 0.0012060800000000 ] - [ 0.0000573900000000, -0.0004429200000000, -0.0001647900000000 ] - [ -0.0068753000000000, -0.0038037900000000, -0.0065157100000000 ] - [ 0.0009695100000000, 0.0008978800000000, 0.0037059100000000 ] - [ 0.0044083900000000, 0.0074838800000000, 0.0114469800000000 ] - [ -0.0009622400000000, -0.0010440400000000, -0.0004514400000000 ] - [ 0.0052820400000000, 0.0055366800000000, -0.0055231600000000 ] - [ -0.0007008300000000, -0.0005698600000000, 0.0039302100000000 ] - [ -0.0001124900000000, -0.0008280300000000, 0.0012630800000000 ] - [ -0.0134538000000000, -0.0105003300000000, -0.0243205500000000 ] - [ -0.0683362900000000, 0.0687399600000000, -0.2022089500000000 ] - [ 0.0006429100000000, 0.0003231900000000, 0.0024364400000000 ] - [ 0.0032308300000000, -0.0002917000000000, 0.0027281200000000 ] - [ 0.0035016500000000, 0.0095550400000000, -0.0044286300000000 ] - [ 0.0002135200000000, 0.0009772500000000, -0.0029454800000000 ] - [ 0.0021753300000000, -0.0033652300000000, 0.0123505600000000 ] - [ -0.0006328700000000, 0.0014651500000000, 0.0029132900000000 ] - [ 0.0071134000000000, 0.0025533000000000, -0.0016169600000000 ] - [ 0.0005837100000000, 0.0012829600000000, 0.0004867400000000 ] - [ -0.0011243400000000, -0.0023336900000000, 0.0011176600000000 ] - [ 0.0006318100000000, -0.0001371400000000, 0.0004063700000000 ] - [ -0.0007098900000000, -0.0006001000000000, -0.0001080600000000 ] - [ -0.0087984600000000, -0.0062080600000000, -0.0058512100000000 ] - [ 0.0011456800000000, 0.0003959000000000, 0.0000902000000000 ] - [ 0.0001389900000000, 0.0006504800000000, -0.0005554900000000 ] - [ 0.0004978300000000, -0.0006018800000000, 0.0003798000000000 ] - [ 0.0037776600000000, -0.0159288600000000, -0.0026639500000000 ] - [ -0.0016085500000000, 0.0001523400000000, -0.0012416400000000 ] - [ -0.0169530700000000, 0.0057963900000000, -0.0027951300000000 ] - [ -0.0007752600000000, 0.0005014900000000, -0.0015134400000000 ] - [ 0.0004042200000000, -0.0010285400000000, -0.0003212500000000 ] - [ -0.0097721100000000, 0.0023404100000000, -0.0009783400000000 ] - [ -0.0008381900000000, 0.0023582100000000, -0.0020282200000000 ] - [ 0.0004704300000000, -0.0010654100000000, 0.0016322700000000 ] - [ -0.0024459600000000, -0.0014808300000000, 0.0045179000000000 ] - [ -0.0008320100000000, 0.0002400600000000, -0.0020736200000000 ] - [ -0.0099649100000000, -0.0067910900000000, -0.0479831500000000 ] - [ 0.0003114400000000, -0.0001764500000000, -0.0007200700000000 ] - [ 0.0012020300000000, 0.0022224500000000, -0.0015324700000000 ] - [ -0.0016992900000000, -0.0017787800000000, -0.0013526500000000 ] - [ 0.0038332200000000, -0.0005188000000000, -0.0090851000000000 ] - [ -0.0000232600000000, 0.0005035900000000, 0.0014757100000000 ] - [ -0.0004068400000000, 0.0221054600000000, -0.0088974700000000 ] - [ -0.0002926100000000, -0.0011389700000000, -0.0006653100000000 ] - [ -0.0025206100000000, 0.0010670700000000, -0.0020864100000000 ] - [ 0.0008731700000000, -0.0025525100000000, 0.0016968900000000 ] - [ -0.0008645500000000, -0.0005916500000000, 0.0009089600000000 ] - [ -0.0004918700000000, 0.0002749700000000, -0.0030626800000000 ] - [ 0.0011446800000000, -0.0017739900000000, -0.0016391700000000 ] - [ -0.0020723000000000, 0.0004869000000000, -0.0002240000000000 ] - [ 0.1217090600000000, -0.0662527400000000, 0.3009044700000000 ] - [ -0.0000973300000000, -0.0000635900000000, -0.0008121500000000 ] - [ -0.0014594800000000, -0.0001967500000000, -0.0004404400000000 ] - [ -0.0008005000000000, -0.0019115400000000, -0.0004253800000000 ] - [ -0.0006893100000000, -0.0002752600000000, 0.0004620500000000 ] - [ -0.0027225600000000, 0.0052892500000000, -0.0158033900000000 ] - [ -0.0006616700000000, -0.0002650500000000, -0.0029852800000000 ] - [ -0.0021990400000000, -0.0007593100000000, 0.0023567400000000 ] - [ -0.0004376100000000, 0.0001500100000000, 0.0005886000000000 ] - [ -0.0004348800000000, -0.0002625000000000, -0.0014855600000000 ] - [ -0.0002991200000000, 0.0003400800000000, -0.0018037200000000 ] - [ 0.0061038600000000, 0.0016124600000000, 0.0059353300000000 ] - [ -0.0035633700000000, -0.0032898600000000, 0.0059020500000000 ] - [ -0.0002227400000000, -0.0013575300000000, -0.0011653600000000 ] - [ -0.0015324300000000, -0.0023699100000000, 0.0007091700000000 ] - [ -0.0002171600000000, 0.0016649500000000, -0.0009244400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026894000000000, 0.0002030000000000, -0.0005164600000000 ] - [ -0.0002825400000000, -0.0000444300000000, 0.0006394000000000 ] - [ -0.0023472000000000, -0.0003835000000000, -0.0012915300000000 ] - [ -0.0001302700000000, -0.0001352600000000, -0.0005150100000000 ] - [ -0.0002091300000000, 0.0005796500000000, 0.0002563600000000 ] - [ 0.0004974700000000, -0.0000310500000000, 0.0002955400000000 ] - [ 0.0022198100000000, -0.0000685700000000, -0.0005337600000000 ] - [ 0.0001579900000000, 0.0000588300000000, 0.0002791600000000 ] - [ 0.0358146700000000, -0.0169536200000000, -0.0329325400000000 ] - [ 0.0017089900000000, -0.0001304000000000, 0.0022541100000000 ] - [ -0.0041798300000000, 0.0009188200000000, -0.0006747500000000 ] - [ -0.0001984700000000, 0.0003259700000000, 0.0000114800000000 ] - [ -0.0019344400000000, 0.0014091300000000, -0.0045913500000000 ] - [ -0.0016318600000000, 0.0006143900000000, -0.0001272600000000 ] - [ 0.0192533300000000, 0.0055744600000000, -0.0096493200000000 ] - [ -0.0011057300000000, -0.0009917500000000, 0.0024446800000000 ] - [ -0.0059233500000000, -0.0069406000000000, 0.0011547000000000 ] - [ -0.0002011200000000, -0.0001698500000000, 0.0021265800000000 ] - [ -0.0020401200000000, 0.0092763600000000, 0.0083450600000000 ] - [ -0.0015227900000000, -0.0003928200000000, 0.0015887300000000 ] - [ 0.0076617100000000, -0.0001146400000000, -0.0074517100000000 ] - [ 0.0001641000000000, -0.0004918300000000, 0.0002964100000000 ] - [ 0.0042790100000000, 0.0055021800000000, -0.0075833100000000 ] - [ 0.0009768900000000, 0.0001904400000000, 0.0001407200000000 ] - [ -0.0002929600000000, 0.0003406400000000, 0.0002321600000000 ] - [ -0.0003753600000000, -0.0009270500000000, 0.0000910400000000 ] - [ 0.0011699300000000, -0.0011036600000000, -0.0007089100000000 ] - [ 0.0007923200000000, -0.0001436100000000, -0.0003419200000000 ] - [ -0.0013053100000000, -0.0005300100000000, 0.0000281100000000 ] - [ 0.0006411800000000, 0.0000617200000000, 0.0000097200000000 ] - [ 0.1997269900000000, -0.1721382100000000, 0.0724270100000000 ] - [ 0.0002503000000000, -0.0009379100000000, -0.0001169400000000 ] - [ 0.0011503000000000, 0.0007381300000000, -0.0009918500000000 ] - [ 0.0098635600000000, -0.0073939800000000, -0.0071207800000000 ] - [ 0.0052882300000000, 0.0009281600000000, -0.0000561900000000 ] - [ 0.0000500000000000, 0.0007676400000000, -0.0008354500000000 ] - [ -0.0032506500000000, -0.0019709900000000, 0.0018350000000000 ] - [ -0.0002183200000000, 0.0012277100000000, 0.0000270100000000 ] - [ -0.0006473300000000, 0.0005047300000000, 0.0004404400000000 ] - [ -0.0013053000000000, -0.0014054100000000, 0.0019420700000000 ] - [ -0.0000254700000000, -0.0006359800000000, -0.0006946800000000 ] - [ -0.0010373100000000, -0.0014097000000000, -0.0030711100000000 ] - [ 0.0011450200000000, 0.0024903600000000, 0.0014799100000000 ] - [ 0.0003317400000000, -0.0004727900000000, -0.0003625600000000 ] - [ 0.0049633400000000, -0.0079185500000000, 0.0062365100000000 ] - [ -0.0007238500000000, -0.0010114600000000, -0.0009907400000000 ] - [ 0.0013691700000000, -0.0003238600000000, -0.0005161700000000 ] - [ -0.0014336600000000, 0.0003264500000000, 0.0009708100000000 ] - [ 0.0077222000000000, 0.0064118900000000, -0.0020470900000000 ] - [ -0.0003942400000000, -0.0006888800000000, -0.0006165900000000 ] - [ 0.0053411500000000, -0.0034568300000000, -0.0015337000000000 ] - [ 0.0001337900000000, -0.0000960500000000, 0.0000310600000000 ] - [ -0.0076433500000000, -0.0046414000000000, -0.0003616700000000 ] - [ 0.0003097400000000, 0.0000971400000000, -0.0003266000000000 ] - [ 0.0001070800000000, -0.0016931300000000, 0.0009124200000000 ] - [ -0.0001324100000000, -0.0006951600000000, -0.0001984600000000 ] - [ 0.0014893800000000, 0.0010564600000000, 0.0001843800000000 ] - [ -0.0001229900000000, 0.0006182700000000, -0.0006878300000000 ] - [ 0.0072209400000000, -0.0118328000000000, -0.0019311100000000 ] - [ 0.0003346400000000, 0.0002031600000000, 0.0000896500000000 ] - [ 0.0004346100000000, 0.0060612500000000, 0.0035666500000000 ] - [ -0.0000019000000000, 0.0005802300000000, -0.0011103400000000 ] - [ -0.0002684500000000, -0.0002112200000000, 0.0018000300000000 ] - [ -0.0005687000000000, 0.0003603100000000, 0.0000225000000000 ] - [ -0.2759907600000000, 0.1963874300000000, -0.0160716600000000 ] - [ 0.0006984900000000, 0.0002037300000000, -0.0011200100000000 ] - [ 0.0004516400000000, 0.0006533600000000, -0.0004994500000000 ] - [ 0.0008349100000000, -0.0006513600000000, -0.0000308500000000 ] - [ -0.0017195900000000, 0.0044754000000000, -0.0066390300000000 ] - [ -0.0044584300000000, 0.0002918500000000, 0.0022346600000000 ] - [ 0.0024479700000000, -0.0006126500000000, 0.0004022000000000 ] - [ -0.0006900000000000, 0.0003117300000000, 0.0000524200000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021918700000000, 0.0000818200000000, 0.0005279600000000 ] - [ 0.0007785700000000, -0.0002307300000000, -0.0006306600000000 ] - [ 0.0026195100000000, 0.0008786700000000, 0.0012859200000000 ] - [ -0.0001425200000000, -0.0003603100000000, 0.0005348700000000 ] - [ -0.0000620700000000, -0.0000826000000000, -0.0002644800000000 ] - [ -0.0002251700000000, -0.0004665400000000, -0.0003013800000000 ] - [ -0.0017120500000000, 0.0003472300000000, 0.0005225200000000 ] - [ -0.0006548000000000, -0.0003328800000000, -0.0002860100000000 ] - [ -0.0339602800000000, 0.0152215400000000, 0.0314518800000000 ] - [ -0.0026529800000000, 0.0010773500000000, -0.0022304600000000 ] - [ 0.0032484300000000, -0.0018486400000000, 0.0006691300000000 ] - [ 0.0011196500000000, 0.0005991900000000, -0.0000087600000000 ] - [ 0.0023820100000000, -0.0018770600000000, 0.0045657700000000 ] - [ 0.0011697200000000, -0.0001491700000000, 0.0001287800000000 ] - [ -0.0198145600000000, -0.0063343200000000, 0.0100085000000000 ] - [ 0.0015773900000000, 0.0014597500000000, -0.0024306500000000 ] - [ 0.0042179100000000, 0.0066224800000000, -0.0008315400000000 ] - [ 0.0018804400000000, 0.0004304000000000, -0.0018144200000000 ] - [ 0.0017479200000000, -0.0077170400000000, -0.0079764900000000 ] - [ 0.0017861800000000, -0.0012912900000000, -0.0012696500000000 ] - [ -0.0074090800000000, 0.0018018700000000, 0.0071134900000000 ] - [ -0.0004138900000000, -0.0011965300000000, -0.0006035100000000 ] - [ -0.0025079700000000, -0.0057110400000000, 0.0072148800000000 ] - [ -0.0026663300000000, 0.0000685500000000, -0.0004427900000000 ] - [ 0.0008311600000000, 0.0014703300000000, -0.0001118200000000 ] - [ -0.0001639100000000, -0.0008842700000000, 0.0000286300000000 ] - [ 0.0006538000000000, 0.0005498900000000, 0.0008073100000000 ] - [ -0.0026096200000000, 0.0006843800000000, 0.0004624500000000 ] - [ -0.0005082800000000, -0.0000119900000000, -0.0001463700000000 ] - [ 0.0011687100000000, 0.0004781200000000, -0.0001289800000000 ] - [ -0.2060979900000000, 0.1851160200000000, -0.0768891200000000 ] - [ 0.0002929200000000, -0.0008756600000000, 0.0000010200000000 ] - [ 0.0000001300000000, 0.0010413100000000, 0.0001112200000000 ] - [ -0.0111877300000000, 0.0056645200000000, 0.0063641700000000 ] - [ -0.0034845600000000, -0.0020617900000000, -0.0008218000000000 ] - [ -0.0018252400000000, 0.0003838300000000, -0.0000403900000000 ] - [ 0.0014002900000000, 0.0008492300000000, -0.0009609200000000 ] - [ 0.0019987700000000, -0.0000737700000000, 0.0008474600000000 ] - [ -0.0005083500000000, 0.0012729500000000, 0.0004354100000000 ] - [ 0.0024593400000000, -0.0003753900000000, -0.0010616900000000 ] - [ -0.0016452700000000, 0.0001933400000000, 0.0015545700000000 ] - [ 0.0027081800000000, 0.0018714800000000, 0.0039137900000000 ] - [ -0.0015948100000000, -0.0008141800000000, -0.0006246100000000 ] - [ 0.0001207200000000, -0.0011838300000000, 0.0012059200000000 ] - [ -0.0044241700000000, 0.0094441100000000, -0.0069980800000000 ] - [ 0.0002735100000000, -0.0006481700000000, 0.0001394200000000 ] - [ 0.0002851600000000, -0.0001257700000000, -0.0003262700000000 ] - [ -0.0002210300000000, 0.0001187400000000, -0.0018072600000000 ] - [ -0.0070076500000000, -0.0045286100000000, 0.0022845400000000 ] - [ -0.0002048000000000, -0.0011300000000000, 0.0008798100000000 ] - [ -0.0035094700000000, 0.0028734200000000, 0.0017860200000000 ] - [ -0.0019569700000000, 0.0007015100000000, 0.0002322100000000 ] - [ 0.0057949600000000, 0.0040284400000000, 0.0001088200000000 ] - [ 0.0015053400000000, 0.0005039800000000, 0.0000576400000000 ] - [ -0.0007319100000000, 0.0035033300000000, -0.0011669300000000 ] - [ 0.0007395700000000, -0.0011246000000000, -0.0000690500000000 ] - [ -0.0005395700000000, -0.0012019800000000, 0.0011652500000000 ] - [ -0.0008210400000000, -0.0004613900000000, 0.0020462300000000 ] - [ -0.0073240700000000, 0.0109119000000000, 0.0032423100000000 ] - [ -0.0001812100000000, 0.0007476300000000, 0.0012669800000000 ] - [ -0.0002500100000000, -0.0070165500000000, -0.0048880800000000 ] - [ -0.0001577100000000, 0.0003716800000000, -0.0002532500000000 ] - [ -0.0006973200000000, 0.0000539800000000, -0.0031441100000000 ] - [ 0.0015204600000000, -0.0001980200000000, -0.0013860300000000 ] - [ 0.2792007400000000, -0.2071208800000000, 0.0210811800000000 ] - [ 0.0011487500000000, 0.0004546700000000, 0.0007070700000000 ] - [ -0.0011119000000000, 0.0012012700000000, 0.0001002400000000 ] - [ -0.0001706200000000, -0.0011988800000000, -0.0003682200000000 ] - [ 0.0023466300000000, -0.0026031200000000, 0.0070080400000000 ] - [ 0.0037399600000000, -0.0021424000000000, -0.0019188800000000 ] - [ -0.0005865300000000, -0.0000488200000000, -0.0000038600000000 ] - [ -0.0011652000000000, 0.0003493100000000, 0.0003451000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006171600000000, 0.0007498100000000, -0.0001831000000000 ] - [ 0.0003988900000000, -0.0000425300000000, -0.0002617400000000 ] - [ 0.0001313700000000, 0.0016038200000000, -0.0002147800000000 ] - [ -0.0000339200000000, 0.0005553400000000, -0.0000296100000000 ] - [ 0.0002530300000000, -0.0010861100000000, -0.0001164100000000 ] - [ 0.0001342500000000, -0.0011710000000000, -0.0001221500000000 ] - [ -0.0017118900000000, -0.0035087300000000, -0.0013137400000000 ] - [ -0.0001491000000000, -0.0002278600000000, -0.0004996900000000 ] - [ -0.0196652000000000, 0.0197301600000000, 0.0187464000000000 ] - [ -0.0016296900000000, 0.0028070500000000, -0.0009682000000000 ] - [ 0.0004753100000000, -0.0030717500000000, -0.0001922200000000 ] - [ -0.0001556700000000, -0.0006360900000000, -0.0008701400000000 ] - [ 0.0017762900000000, -0.0050651800000000, 0.0037615600000000 ] - [ 0.0003155300000000, -0.0004939200000000, 0.0007423700000000 ] - [ 0.0143784900000000, 0.0303667700000000, -0.0203641900000000 ] - [ -0.0005846100000000, 0.0002228400000000, 0.0012518400000000 ] - [ -0.0009607600000000, -0.0003254600000000, 0.0010024300000000 ] - [ 0.0006310000000000, 0.0010007700000000, 0.0008081000000000 ] - [ 0.0072153100000000, 0.0094039900000000, -0.0101251900000000 ] - [ 0.0004188300000000, 0.0002272300000000, -0.0002779400000000 ] - [ -0.0032475900000000, -0.0061963400000000, -0.0046307400000000 ] - [ -0.0005698900000000, -0.0021766800000000, -0.0008025300000000 ] - [ 0.0048013400000000, -0.0037240700000000, 0.0035694000000000 ] - [ -0.0009838200000000, -0.0013761400000000, 0.0009984200000000 ] - [ -0.0008909600000000, -0.0006159500000000, 0.0004657800000000 ] - [ -0.0003249400000000, -0.0010518100000000, 0.0000573300000000 ] - [ 0.0007447400000000, -0.0005916000000000, 0.0002705700000000 ] - [ -0.0000322600000000, -0.0005143100000000, 0.0023883600000000 ] - [ -0.0010074200000000, -0.0004912600000000, -0.0000221000000000 ] - [ 0.0007801800000000, 0.0001326100000000, 0.0000330400000000 ] - [ -0.1904409700000000, 0.1924883300000000, -0.0904197500000000 ] - [ 0.0002498100000000, -0.0007849300000000, -0.0000128800000000 ] - [ 0.0006536000000000, 0.0000357400000000, -0.0004725300000000 ] - [ -0.0008822000000000, -0.0076149700000000, 0.0002115200000000 ] - [ -0.0000943600000000, -0.0009361100000000, -0.0010495200000000 ] - [ -0.0008912100000000, 0.0002902800000000, -0.0005542400000000 ] - [ -0.0046604500000000, 0.0033963300000000, -0.0017411900000000 ] - [ 0.0008350700000000, 0.0011533000000000, 0.0002007200000000 ] - [ -0.0005283500000000, 0.0018957500000000, 0.0003909400000000 ] - [ 0.0012281400000000, 0.0042396700000000, 0.0003390000000000 ] - [ -0.0010896900000000, -0.0008125800000000, 0.0008051600000000 ] - [ 0.0004056700000000, -0.0004749400000000, 0.0036882100000000 ] - [ 0.0004584900000000, 0.0014128000000000, 0.0002476100000000 ] - [ 0.0002805600000000, -0.0008959000000000, 0.0004511000000000 ] - [ -0.0048749500000000, 0.0057690100000000, -0.0040741000000000 ] - [ -0.0002281900000000, -0.0007181700000000, -0.0004951700000000 ] - [ 0.0009059900000000, 0.0002905400000000, -0.0000583300000000 ] - [ 0.0010034300000000, 0.0008545900000000, 0.0020152000000000 ] - [ 0.0009172800000000, -0.0011138000000000, -0.0002395200000000 ] - [ -0.0003479400000000, -0.0017290900000000, 0.0000264700000000 ] - [ -0.0019174000000000, -0.0012231200000000, 0.0022688500000000 ] - [ -0.0007629500000000, 0.0000472600000000, 0.0003783500000000 ] - [ 0.0019358300000000, 0.0072109300000000, 0.0043471100000000 ] - [ 0.0013771600000000, 0.0004980100000000, 0.0006313800000000 ] - [ -0.0016310700000000, 0.0047068300000000, -0.0002003700000000 ] - [ 0.0000421000000000, 0.0001875100000000, -0.0002379000000000 ] - [ 0.0004883700000000, 0.0002942000000000, 0.0002021500000000 ] - [ 0.0000175600000000, -0.0001531800000000, 0.0000730400000000 ] - [ -0.0139847900000000, 0.0089442900000000, 0.0064822700000000 ] - [ -0.0000140700000000, 0.0002722700000000, 0.0006540300000000 ] - [ 0.0044962600000000, 0.0067651600000000, 0.0032037400000000 ] - [ 0.0000451500000000, 0.0006727600000000, -0.0005711300000000 ] - [ -0.0017327000000000, -0.0001565900000000, -0.0027192000000000 ] - [ 0.0004079500000000, 0.0009895700000000, -0.0020150300000000 ] - [ 0.2064966900000000, -0.2579109000000000, 0.0953012000000000 ] - [ 0.0007997200000000, -0.0002545300000000, -0.0012365600000000 ] - [ -0.0005125900000000, 0.0014296400000000, -0.0002313200000000 ] - [ 0.0005134900000000, -0.0001466300000000, -0.0003335100000000 ] - [ 0.0017580800000000, -0.0011379300000000, -0.0044914700000000 ] - [ -0.0009113600000000, -0.0050006100000000, -0.0041914400000000 ] - [ 0.0012071500000000, 0.0021845400000000, 0.0001662800000000 ] - [ -0.0009079900000000, 0.0006010600000000, 0.0001596600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001192400000000, -0.0004824400000000, 0.0001913900000000 ] - [ 0.0000975700000000, -0.0002297400000000, 0.0002718400000000 ] - [ 0.0001444400000000, -0.0011080600000000, 0.0002278200000000 ] - [ -0.0002428100000000, -0.0010542000000000, 0.0000346100000000 ] - [ -0.0005322500000000, 0.0015826000000000, 0.0001142200000000 ] - [ 0.0001446600000000, 0.0006733900000000, 0.0001089600000000 ] - [ 0.0022036500000000, 0.0038139200000000, 0.0013028900000000 ] - [ -0.0003487700000000, -0.0000484300000000, 0.0004929700000000 ] - [ 0.0208929100000000, -0.0205590900000000, -0.0190254300000000 ] - [ 0.0007058700000000, -0.0018685400000000, 0.0009645900000000 ] - [ -0.0014222800000000, 0.0021624400000000, 0.0001887200000000 ] - [ 0.0010835500000000, 0.0015616000000000, 0.0008744500000000 ] - [ -0.0013042200000000, 0.0046208800000000, -0.0037816700000000 ] - [ -0.0007872400000000, 0.0009569300000000, -0.0007488200000000 ] - [ -0.0155296000000000, -0.0314949200000000, 0.0214503100000000 ] - [ 0.0010651500000000, 0.0002560100000000, -0.0012642500000000 ] - [ -0.0007392400000000, 0.0001090900000000, -0.0006871200000000 ] - [ 0.0010548300000000, -0.0007430300000000, -0.0004916600000000 ] - [ -0.0074340400000000, -0.0077194700000000, 0.0105091000000000 ] - [ -0.0001562900000000, -0.0019219800000000, 0.0005868300000000 ] - [ 0.0035206400000000, 0.0078925200000000, 0.0043377100000000 ] - [ 0.0003009800000000, 0.0004916300000000, 0.0004836300000000 ] - [ -0.0031539400000000, 0.0034474200000000, -0.0038905900000000 ] - [ -0.0007107400000000, 0.0016434500000000, -0.0013070200000000 ] - [ 0.0014371500000000, 0.0024338800000000, -0.0003491300000000 ] - [ -0.0002141200000000, -0.0007585000000000, 0.0000610900000000 ] - [ 0.0010705400000000, 0.0000415400000000, -0.0001650400000000 ] - [ -0.0017781500000000, 0.0010641400000000, -0.0022379400000000 ] - [ -0.0008033300000000, -0.0000462500000000, -0.0000968200000000 ] - [ 0.0010296400000000, 0.0004045700000000, -0.0001522300000000 ] - [ 0.1789009100000000, -0.1854671600000000, 0.0858017100000000 ] - [ 0.0002908400000000, -0.0010272900000000, -0.0001042000000000 ] - [ 0.0004960600000000, 0.0017453400000000, -0.0004015200000000 ] - [ -0.0002502700000000, 0.0058049600000000, -0.0011173000000000 ] - [ 0.0018693000000000, -0.0002262400000000, 0.0001749200000000 ] - [ -0.0008822100000000, 0.0008635400000000, -0.0003228000000000 ] - [ 0.0029323800000000, -0.0046003500000000, 0.0026446200000000 ] - [ 0.0009464100000000, -0.0000108800000000, 0.0006760100000000 ] - [ -0.0006197200000000, -0.0001219000000000, 0.0004884500000000 ] - [ -0.0000839500000000, -0.0060301000000000, 0.0005349800000000 ] - [ -0.0005700400000000, 0.0003731000000000, 0.0000463000000000 ] - [ 0.0012259100000000, 0.0009219600000000, -0.0028500700000000 ] - [ -0.0008954000000000, 0.0002341000000000, 0.0005909000000000 ] - [ 0.0001691500000000, -0.0007595000000000, 0.0003920600000000 ] - [ 0.0054142500000000, -0.0041449600000000, 0.0032383600000000 ] - [ -0.0002217600000000, -0.0009437400000000, -0.0003514500000000 ] - [ 0.0007588200000000, -0.0007440700000000, -0.0007850600000000 ] - [ -0.0026734600000000, -0.0003994000000000, -0.0028758900000000 ] - [ -0.0003433500000000, 0.0028976200000000, 0.0005144500000000 ] - [ -0.0002568500000000, -0.0000891100000000, 0.0002378600000000 ] - [ 0.0037531600000000, 0.0006049700000000, -0.0020166200000000 ] - [ -0.0010607700000000, 0.0005618000000000, -0.0001127100000000 ] - [ -0.0037709100000000, -0.0078947000000000, -0.0046879100000000 ] - [ 0.0004448600000000, 0.0001042500000000, -0.0008882600000000 ] - [ 0.0010450800000000, -0.0028898100000000, -0.0000665000000000 ] - [ 0.0005662000000000, -0.0020112400000000, -0.0000277600000000 ] - [ 0.0004657600000000, -0.0004625100000000, 0.0011613100000000 ] - [ -0.0009602000000000, 0.0003228500000000, 0.0012755100000000 ] - [ 0.0137932200000000, -0.0099016900000000, -0.0051757400000000 ] - [ 0.0001732000000000, 0.0006843600000000, 0.0007128400000000 ] - [ -0.0044045600000000, -0.0077798000000000, -0.0046047200000000 ] - [ -0.0002014500000000, 0.0002769000000000, -0.0007870900000000 ] - [ 0.0007877700000000, 0.0000091800000000, 0.0013716100000000 ] - [ 0.0005439800000000, -0.0008347400000000, 0.0006481600000000 ] - [ -0.1969987800000000, 0.2528545900000000, -0.0919221000000000 ] - [ 0.0010526500000000, 0.0009164800000000, 0.0008408200000000 ] - [ -0.0001453800000000, 0.0004245900000000, -0.0001669300000000 ] - [ 0.0001480700000000, -0.0017112300000000, -0.0000641600000000 ] - [ -0.0011021300000000, 0.0029294300000000, 0.0049268600000000 ] - [ 0.0002495100000000, 0.0031966500000000, 0.0045738300000000 ] - [ 0.0006453100000000, -0.0028580000000000, 0.0002331900000000 ] - [ -0.0009454300000000, 0.0000604000000000, 0.0002406500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000046400000000, -0.0000122300000000, 0.0009043300000000 ] - [ 0.0004530000000000, -0.0002483600000000, -0.0007814300000000 ] - [ -0.0005067000000000, 0.0000573600000000, 0.0003781800000000 ] - [ -0.0011919300000000, -0.0005472000000000, -0.0012221300000000 ] - [ 0.0002172100000000, 0.0001490700000000, 0.0005095000000000 ] - [ 0.0002077300000000, -0.0001501700000000, -0.0006458800000000 ] - [ -0.0002925000000000, -0.0005720900000000, 0.0014330600000000 ] - [ -0.0002984500000000, -0.0003235900000000, -0.0011294100000000 ] - [ -0.0237288400000000, 0.0099125700000000, 0.0388113100000000 ] - [ 0.0006050100000000, -0.0025864300000000, -0.0061220000000000 ] - [ -0.0000025300000000, -0.0005433900000000, 0.0012189500000000 ] - [ 0.0002659500000000, 0.0006308100000000, -0.0013795300000000 ] - [ -0.0003367300000000, 0.0001907500000000, 0.0023133100000000 ] - [ -0.0002546100000000, 0.0005715100000000, -0.0016968300000000 ] - [ -0.0166614000000000, -0.0193779700000000, 0.0277669100000000 ] - [ 0.0043379400000000, 0.0023672400000000, -0.0054348800000000 ] - [ 0.0009089700000000, 0.0030938500000000, 0.0018871100000000 ] - [ 0.0017995500000000, 0.0009508000000000, -0.0026523500000000 ] - [ 0.0006492200000000, -0.0090101300000000, 0.0032503000000000 ] - [ 0.0009604600000000, -0.0017241300000000, -0.0023079900000000 ] - [ -0.0081097100000000, -0.0015986900000000, 0.0052522800000000 ] - [ -0.0012379500000000, -0.0009746700000000, -0.0020665800000000 ] - [ -0.0036260800000000, -0.0008184600000000, 0.0028285700000000 ] - [ -0.0024876300000000, 0.0007233000000000, -0.0032061000000000 ] - [ 0.0002627200000000, 0.0009637900000000, 0.0001194900000000 ] - [ -0.0002686100000000, -0.0009332700000000, -0.0000530000000000 ] - [ -0.0003073800000000, 0.0015699400000000, 0.0020695400000000 ] - [ -0.0030345300000000, 0.0030239600000000, -0.0012772500000000 ] - [ -0.0006773000000000, -0.0000604600000000, -0.0002014500000000 ] - [ 0.0011393200000000, 0.0005268400000000, 0.0000450700000000 ] - [ 0.0714134000000000, -0.0808704300000000, 0.0542359700000000 ] - [ 0.0001049000000000, -0.0007561500000000, -0.0003858100000000 ] - [ 0.0000315600000000, 0.0013674400000000, 0.0004472800000000 ] - [ -0.0086107100000000, 0.0050251000000000, 0.0007070100000000 ] - [ -0.0003371800000000, -0.0013393100000000, -0.0010594800000000 ] - [ -0.0014508100000000, 0.0003407000000000, 0.0002960400000000 ] - [ 0.0024281800000000, -0.0029583800000000, 0.0001305700000000 ] - [ 0.0019467500000000, -0.0009010900000000, 0.0016719800000000 ] - [ -0.0003314400000000, 0.0009776600000000, 0.0010532000000000 ] - [ 0.0021930600000000, 0.0003291300000000, -0.0009159900000000 ] - [ -0.0020726700000000, 0.0004972500000000, 0.0017674300000000 ] - [ -0.0002944400000000, 0.0022578900000000, 0.0007813100000000 ] - [ -0.0002999300000000, -0.0003718300000000, -0.0014629900000000 ] - [ 0.0002779100000000, -0.0015836100000000, 0.0020775200000000 ] - [ 0.0019543000000000, 0.0012706200000000, -0.0038784100000000 ] - [ 0.0001802700000000, -0.0002465800000000, 0.0015241200000000 ] - [ 0.0007808400000000, -0.0000367700000000, 0.0001757300000000 ] - [ 0.0003932500000000, 0.0006950800000000, -0.0009230700000000 ] - [ -0.0030602200000000, -0.0012651200000000, -0.0007787600000000 ] - [ -0.0011710200000000, -0.0011882400000000, 0.0015483800000000 ] - [ -0.0005464400000000, 0.0024363900000000, -0.0003291100000000 ] - [ -0.0014115500000000, 0.0007647600000000, 0.0005988200000000 ] - [ 0.0028948600000000, 0.0070282600000000, 0.0000619100000000 ] - [ 0.0016538100000000, 0.0010243900000000, 0.0008651900000000 ] - [ 0.0009542500000000, 0.0002827800000000, -0.0009609700000000 ] - [ 0.0009268800000000, -0.0016343500000000, 0.0007406200000000 ] - [ -0.0009098600000000, -0.0008448400000000, -0.0001036900000000 ] - [ -0.0014705100000000, -0.0004586600000000, 0.0019710800000000 ] - [ -0.0000332200000000, 0.0024539300000000, -0.0054549900000000 ] - [ 0.0001580000000000, 0.0009770100000000, 0.0022865800000000 ] - [ 0.0005698000000000, -0.0026781200000000, -0.0063731100000000 ] - [ 0.0000978700000000, 0.0000857200000000, 0.0006834100000000 ] - [ 0.0008537800000000, -0.0009158900000000, -0.0012061700000000 ] - [ 0.0016097500000000, -0.0013456400000000, 0.0004529600000000 ] - [ -0.0200629800000000, 0.0943187900000000, -0.1435046900000000 ] - [ 0.0018411100000000, 0.0013700400000000, 0.0039622000000000 ] - [ -0.0004663900000000, 0.0007573500000000, -0.0001256100000000 ] - [ 0.0003662200000000, -0.0012272800000000, -0.0001199500000000 ] - [ -0.0043350900000000, -0.0058610500000000, 0.0161927700000000 ] - [ 0.0040898400000000, -0.0030183400000000, 0.0144910900000000 ] - [ 0.0011349500000000, -0.0003014400000000, -0.0005546100000000 ] - [ -0.0007799400000000, 0.0002922800000000, 0.0008031500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005018500000000, 0.0002878100000000, -0.0008982800000000 ] - [ 0.0000446800000000, -0.0000266100000000, 0.0007934000000000 ] - [ 0.0007799500000000, 0.0004363000000000, -0.0003646700000000 ] - [ 0.0009274400000000, 0.0000526200000000, 0.0012382100000000 ] - [ -0.0004902100000000, 0.0003474200000000, -0.0005207000000000 ] - [ 0.0000675200000000, -0.0003458100000000, 0.0006405900000000 ] - [ 0.0007961000000000, 0.0008618700000000, -0.0014372100000000 ] - [ -0.0001981800000000, 0.0000521800000000, 0.0011186100000000 ] - [ 0.0260974500000000, -0.0116319500000000, -0.0397358000000000 ] - [ -0.0015181100000000, 0.0034967300000000, 0.0061244300000000 ] - [ -0.0009309000000000, -0.0003767600000000, -0.0012119200000000 ] - [ 0.0006598500000000, 0.0002954700000000, 0.0013743800000000 ] - [ 0.0007975800000000, -0.0006527200000000, -0.0023494100000000 ] - [ -0.0002130900000000, -0.0001040900000000, 0.0017006600000000 ] - [ 0.0153905900000000, 0.0177277300000000, -0.0269979800000000 ] - [ -0.0038995200000000, -0.0019174600000000, 0.0054457900000000 ] - [ -0.0025994500000000, -0.0033337100000000, -0.0015991800000000 ] - [ -0.0001076000000000, -0.0006816400000000, 0.0029688600000000 ] - [ -0.0009159300000000, 0.0106464200000000, -0.0028604500000000 ] - [ -0.0006984300000000, 0.0000438500000000, 0.0026138200000000 ] - [ 0.0083555900000000, 0.0032903700000000, -0.0055783400000000 ] - [ 0.0009727600000000, -0.0007153300000000, 0.0017676700000000 ] - [ 0.0052846700000000, 0.0005559600000000, -0.0031247800000000 ] - [ 0.0008089300000000, -0.0004694400000000, 0.0028996500000000 ] - [ 0.0002759400000000, 0.0008471400000000, 0.0000011700000000 ] - [ -0.0002717200000000, -0.0008786100000000, 0.0001718600000000 ] - [ 0.0021241600000000, -0.0021083300000000, -0.0019280800000000 ] - [ 0.0012274100000000, -0.0025080300000000, 0.0014206700000000 ] - [ -0.0011349400000000, -0.0004800900000000, 0.0000821100000000 ] - [ 0.0006731300000000, 0.0000139900000000, -0.0001632800000000 ] - [ -0.0715683900000000, 0.0824967100000000, -0.0518345200000000 ] - [ 0.0004323700000000, -0.0010546700000000, 0.0002626800000000 ] - [ 0.0011252600000000, 0.0004086200000000, -0.0013231300000000 ] - [ 0.0073901100000000, -0.0067784700000000, -0.0016032300000000 ] - [ 0.0021197600000000, 0.0001882100000000, 0.0001899500000000 ] - [ -0.0003316600000000, 0.0008084700000000, -0.0011753200000000 ] - [ -0.0041845200000000, 0.0017714200000000, 0.0007542300000000 ] - [ -0.0001715400000000, 0.0020655100000000, -0.0007971700000000 ] - [ -0.0008166900000000, 0.0008035900000000, -0.0001778100000000 ] - [ -0.0010417900000000, -0.0021078600000000, 0.0017984600000000 ] - [ 0.0004071600000000, -0.0009462700000000, -0.0009074600000000 ] - [ 0.0019372900000000, -0.0017950200000000, 0.0000524800000000 ] - [ -0.0001527100000000, 0.0020320900000000, 0.0023185100000000 ] - [ 0.0001716400000000, -0.0000781400000000, -0.0012302200000000 ] - [ -0.0014714000000000, 0.0003868400000000, 0.0029887600000000 ] - [ -0.0006331200000000, -0.0014128500000000, -0.0023763700000000 ] - [ 0.0008836800000000, -0.0004143900000000, -0.0010316000000000 ] - [ -0.0020452800000000, -0.0002508000000000, 0.0000848300000000 ] - [ 0.0036595300000000, 0.0030722600000000, 0.0010583400000000 ] - [ 0.0005628100000000, -0.0006308100000000, -0.0012852300000000 ] - [ 0.0023773600000000, -0.0030334100000000, 0.0005779100000000 ] - [ -0.0004041800000000, -0.0001654200000000, -0.0003312000000000 ] - [ -0.0046922500000000, -0.0076371000000000, -0.0003093300000000 ] - [ 0.0001654600000000, -0.0004168000000000, -0.0011352300000000 ] - [ -0.0015530700000000, 0.0015291900000000, 0.0006918600000000 ] - [ -0.0003286900000000, -0.0001756400000000, -0.0010064600000000 ] - [ 0.0018719200000000, 0.0006888400000000, 0.0014766100000000 ] - [ 0.0005310800000000, 0.0006192800000000, -0.0006344500000000 ] - [ -0.0000517600000000, -0.0034514000000000, 0.0067564200000000 ] - [ 0.0000007100000000, -0.0000298800000000, -0.0009277200000000 ] - [ -0.0004147200000000, 0.0017367000000000, 0.0050142500000000 ] - [ -0.0002526700000000, 0.0008670400000000, -0.0020443400000000 ] - [ -0.0017979000000000, 0.0007561400000000, -0.0001616000000000 ] - [ -0.0006695100000000, 0.0015127900000000, -0.0018064200000000 ] - [ 0.0169660400000000, -0.0927752900000000, 0.1407258100000000 ] - [ 0.0000130400000000, -0.0007089200000000, -0.0043673900000000 ] - [ -0.0001965200000000, 0.0010946100000000, -0.0002786200000000 ] - [ 0.0002985500000000, -0.0006272400000000, -0.0002756500000000 ] - [ 0.0050827700000000, 0.0077863400000000, -0.0160183900000000 ] - [ -0.0046744000000000, 0.0011357300000000, -0.0138549900000000 ] - [ 0.0007266900000000, -0.0003662400000000, 0.0009534100000000 ] - [ -0.0010742700000000, 0.0003709600000000, -0.0004024600000000 ]