# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e3b9a569-0a5a-497f-8d6f-0cc23235c8d0/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 Li2Ge7O15 / Pbcn (60) / materials id 5832](https://mdr.nims.go.jp/datasets/a554d654-034c-41ce-9a1c-e516b8840db7) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.386744800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.793871299999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.750042799999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.739428250000000, 0.750000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.760571750000000, 0.250000000000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.500000000000000, 0.260571750000000, 0.250000000000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.000000000000000, 0.239428250000000, 0.750000000000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 - symbol: O # 9 coordinates: [ 0.857789380000000, 0.507118030000000, 0.333341760000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.357789380000000, 0.992881970000000, 0.666658240000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.642210620000000, 0.992881970000000, 0.833341760000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.142210620000000, 0.507118030000000, 0.166658240000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.142210620000000, 0.492881970000000, 0.666658240000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.642210620000000, 0.007118030000000, 0.333341760000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.357789380000000, 0.007118030000000, 0.166658240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.857789380000000, 0.492881970000000, 0.833341760000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.855160170000000, 0.582032110000000, 0.091121510000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.355160170000000, 0.917967890000000, 0.908878490000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.644839830000000, 0.917967890000000, 0.591121510000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.144839830000000, 0.582032110000000, 0.408878490000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.144839830000000, 0.417967890000000, 0.908878490000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.644839830000000, 0.082032110000000, 0.091121510000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.355160170000000, 0.082032110000000, 0.408878490000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.855160170000000, 0.417967890000000, 0.591121510000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.501333090000000, 0.640231680000000, 0.402573770000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.001333090000000, 0.859768320000000, 0.597426230000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.998666910000000, 0.859768320000000, 0.902573770000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.498666910000000, 0.640231680000000, 0.097426230000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.498666910000000, 0.359768320000000, 0.597426230000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.998666910000000, 0.140231680000000, 0.402573770000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.001333090000000, 0.140231680000000, 0.097426230000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.501333090000000, 0.359768320000000, 0.902573770000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.861978060000000, 0.670199160000000, 0.328810550000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.361978060000000, 0.829800840000000, 0.671189450000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.638021940000000, 0.829800840000000, 0.828810550000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.138021940000000, 0.670199160000000, 0.171189450000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.138021940000000, 0.329800840000000, 0.671189450000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.638021940000000, 0.170199160000000, 0.328810550000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.361978060000000, 0.170199160000000, 0.171189450000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.861978060000000, 0.329800840000000, 0.828810550000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.801569850000000, 0.751198290000000, 0.064565940000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.301569850000000, 0.748801710000000, 0.935434060000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.698430150000000, 0.748801710000000, 0.564565940000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.198430150000000, 0.751198290000000, 0.435434060000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.198430150000000, 0.248801710000000, 0.935434060000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.698430150000000, 0.251198290000000, 0.064565940000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.301569850000000, 0.251198290000000, 0.435434060000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.801569850000000, 0.248801710000000, 0.564565940000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.811804040000000, 0.850637170000000, 0.346113240000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.311804040000000, 0.649362830000000, 0.653886760000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.688195960000000, 0.649362830000000, 0.846113240000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.188195960000000, 0.850637170000000, 0.153886760000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.188195960000000, 0.149362830000000, 0.653886760000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.688195960000000, 0.350637170000000, 0.346113240000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.311804040000000, 0.350637170000000, 0.153886760000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.811804040000000, 0.149362830000000, 0.846113240000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.705652690000000, 0.911827760000000, 0.087879470000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.205652690000000, 0.588172240000000, 0.912120530000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.794347310000000, 0.588172240000000, 0.587879470000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.294347310000000, 0.911827760000000, 0.412120530000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.294347310000000, 0.088172240000000, 0.912120530000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.794347310000000, 0.411827760000000, 0.087879470000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.205652690000000, 0.411827760000000, 0.412120530000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.705652690000000, 0.088172240000000, 0.587879470000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.514402870000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.985597130000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.485597130000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.014402870000000, 0.750000000000000 ] mass: 15.999400 - symbol: Ge # 69 coordinates: [ 0.713855690000000, 0.655608810000000, 0.028368980000000 ] mass: 72.640000 - symbol: Ge # 70 coordinates: [ 0.213855690000000, 0.844391190000000, 0.971631020000000 ] mass: 72.640000 - symbol: Ge # 71 coordinates: [ 0.786144310000000, 0.844391190000000, 0.528368980000000 ] mass: 72.640000 - symbol: Ge # 72 coordinates: [ 0.286144310000000, 0.655608810000000, 0.471631020000000 ] mass: 72.640000 - symbol: Ge # 73 coordinates: [ 0.286144310000000, 0.344391190000000, 0.971631020000000 ] mass: 72.640000 - symbol: Ge # 74 coordinates: [ 0.786144310000000, 0.155608810000000, 0.028368980000000 ] mass: 72.640000 - symbol: Ge # 75 coordinates: [ 0.213855690000000, 0.155608810000000, 0.471631020000000 ] mass: 72.640000 - symbol: Ge # 76 coordinates: [ 0.713855690000000, 0.344391190000000, 0.528368980000000 ] mass: 72.640000 - symbol: Ge # 77 coordinates: [ 0.716992100000000, 0.659548590000000, 0.467336970000000 ] mass: 72.640000 - symbol: Ge # 78 coordinates: [ 0.216992100000000, 0.840451410000000, 0.532663030000000 ] mass: 72.640000 - symbol: Ge # 79 coordinates: [ 0.783007900000000, 0.840451410000000, 0.967336970000000 ] mass: 72.640000 - symbol: Ge # 80 coordinates: [ 0.283007900000000, 0.659548590000000, 0.032663030000000 ] mass: 72.640000 - symbol: Ge # 81 coordinates: [ 0.283007900000000, 0.340451410000000, 0.532663030000000 ] mass: 72.640000 - symbol: Ge # 82 coordinates: [ 0.783007900000000, 0.159548590000000, 0.467336970000000 ] mass: 72.640000 - symbol: Ge # 83 coordinates: [ 0.216992100000000, 0.159548590000000, 0.032663030000000 ] mass: 72.640000 - symbol: Ge # 84 coordinates: [ 0.716992100000000, 0.340451410000000, 0.967336970000000 ] mass: 72.640000 - symbol: Ge # 85 coordinates: [ 0.785939060000000, 0.941337410000000, 0.250933550000000 ] mass: 72.640000 - symbol: Ge # 86 coordinates: [ 0.285939060000000, 0.558662590000000, 0.749066450000000 ] mass: 72.640000 - symbol: Ge # 87 coordinates: [ 0.714060940000000, 0.558662590000000, 0.750933550000000 ] mass: 72.640000 - symbol: Ge # 88 coordinates: [ 0.214060940000000, 0.941337410000000, 0.249066450000000 ] mass: 72.640000 - symbol: Ge # 89 coordinates: [ 0.214060940000000, 0.058662590000000, 0.749066450000000 ] mass: 72.640000 - symbol: Ge # 90 coordinates: [ 0.714060940000000, 0.441337410000000, 0.250933550000000 ] mass: 72.640000 - symbol: Ge # 91 coordinates: [ 0.285939060000000, 0.441337410000000, 0.249066450000000 ] mass: 72.640000 - symbol: Ge # 92 coordinates: [ 0.785939060000000, 0.058662590000000, 0.750933550000000 ] mass: 72.640000 - symbol: Ge # 93 coordinates: [ 0.500000000000000, 0.912914290000000, 0.750000000000000 ] mass: 72.640000 - symbol: Ge # 94 coordinates: [ 0.000000000000000, 0.587085710000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 95 coordinates: [ 0.500000000000000, 0.087085710000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 96 coordinates: [ 0.000000000000000, 0.412914290000000, 0.750000000000000 ] mass: 72.640000 reciprocal_lattice: # without 2pi - [ 0.135377629399083, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.059545531946526, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.102563652335967 ] # c*unit_cell: lattice: - [ 7.386744800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.793871299999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.750042799999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.739428250000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.760571750000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.500000000000000, 0.260571750000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.000000000000000, 0.239428250000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.857789380000000, 0.507118030000000, 0.333341760000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.357789380000000, 0.992881970000000, 0.666658240000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.642210620000000, 0.992881970000000, 0.833341760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.142210620000000, 0.507118030000000, 0.166658240000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.142210620000000, 0.492881970000000, 0.666658240000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.642210620000000, 0.007118030000000, 0.333341760000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.357789380000000, 0.007118030000000, 0.166658240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.857789380000000, 0.492881970000000, 0.833341760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.855160170000000, 0.582032110000000, 0.091121510000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.355160170000000, 0.917967890000000, 0.908878490000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.644839830000000, 0.917967890000000, 0.591121510000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.144839830000000, 0.582032110000000, 0.408878490000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.144839830000000, 0.417967890000000, 0.908878490000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.644839830000000, 0.082032110000000, 0.091121510000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.355160170000000, 0.082032110000000, 0.408878490000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.855160170000000, 0.417967890000000, 0.591121510000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.501333090000000, 0.640231680000000, 0.402573770000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.001333090000000, 0.859768320000000, 0.597426230000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.998666910000000, 0.859768320000000, 0.902573770000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.498666910000000, 0.640231680000000, 0.097426230000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.498666910000000, 0.359768320000000, 0.597426230000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.998666910000000, 0.140231680000000, 0.402573770000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.001333090000000, 0.140231680000000, 0.097426230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.501333090000000, 0.359768320000000, 0.902573770000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.861978060000000, 0.670199160000000, 0.328810550000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.361978060000000, 0.829800840000000, 0.671189450000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.638021940000000, 0.829800840000000, 0.828810550000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.138021940000000, 0.670199160000000, 0.171189450000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.138021940000000, 0.329800840000000, 0.671189450000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.638021940000000, 0.170199160000000, 0.328810550000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.361978060000000, 0.170199160000000, 0.171189450000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.861978060000000, 0.329800840000000, 0.828810550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.801569850000000, 0.751198290000000, 0.064565940000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.301569850000000, 0.748801710000000, 0.935434060000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.698430150000000, 0.748801710000000, 0.564565940000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.198430150000000, 0.751198290000000, 0.435434060000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.198430150000000, 0.248801710000000, 0.935434060000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.698430150000000, 0.251198290000000, 0.064565940000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.301569850000000, 0.251198290000000, 0.435434060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.801569850000000, 0.248801710000000, 0.564565940000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.811804040000000, 0.850637170000000, 0.346113240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.311804040000000, 0.649362830000000, 0.653886760000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.688195960000000, 0.649362830000000, 0.846113240000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.188195960000000, 0.850637170000000, 0.153886760000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.188195960000000, 0.149362830000000, 0.653886760000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.688195960000000, 0.350637170000000, 0.346113240000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.311804040000000, 0.350637170000000, 0.153886760000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.811804040000000, 0.149362830000000, 0.846113240000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.705652690000000, 0.911827760000000, 0.087879470000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.205652690000000, 0.588172240000000, 0.912120530000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.794347310000000, 0.588172240000000, 0.587879470000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.294347310000000, 0.911827760000000, 0.412120530000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.294347310000000, 0.088172240000000, 0.912120530000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.794347310000000, 0.411827760000000, 0.087879470000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.205652690000000, 0.411827760000000, 0.412120530000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.705652690000000, 0.088172240000000, 0.587879470000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.514402870000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.985597130000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.485597130000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.014402870000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: Ge # 69 coordinates: [ 0.713855690000000, 0.655608810000000, 0.028368980000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 70 coordinates: [ 0.213855690000000, 0.844391190000000, 0.971631020000000 ] mass: 72.640000 reduced_to: 70 - symbol: Ge # 71 coordinates: [ 0.786144310000000, 0.844391190000000, 0.528368980000000 ] mass: 72.640000 reduced_to: 71 - symbol: Ge # 72 coordinates: [ 0.286144310000000, 0.655608810000000, 0.471631020000000 ] mass: 72.640000 reduced_to: 72 - symbol: Ge # 73 coordinates: [ 0.286144310000000, 0.344391190000000, 0.971631020000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 74 coordinates: [ 0.786144310000000, 0.155608810000000, 0.028368980000000 ] mass: 72.640000 reduced_to: 74 - symbol: Ge # 75 coordinates: [ 0.213855690000000, 0.155608810000000, 0.471631020000000 ] mass: 72.640000 reduced_to: 75 - symbol: Ge # 76 coordinates: [ 0.713855690000000, 0.344391190000000, 0.528368980000000 ] mass: 72.640000 reduced_to: 76 - symbol: Ge # 77 coordinates: [ 0.716992100000000, 0.659548590000000, 0.467336970000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 78 coordinates: [ 0.216992100000000, 0.840451410000000, 0.532663030000000 ] mass: 72.640000 reduced_to: 78 - symbol: Ge # 79 coordinates: [ 0.783007900000000, 0.840451410000000, 0.967336970000000 ] mass: 72.640000 reduced_to: 79 - symbol: Ge # 80 coordinates: [ 0.283007900000000, 0.659548590000000, 0.032663030000000 ] mass: 72.640000 reduced_to: 80 - symbol: Ge # 81 coordinates: [ 0.283007900000000, 0.340451410000000, 0.532663030000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 82 coordinates: [ 0.783007900000000, 0.159548590000000, 0.467336970000000 ] mass: 72.640000 reduced_to: 82 - symbol: Ge # 83 coordinates: [ 0.216992100000000, 0.159548590000000, 0.032663030000000 ] mass: 72.640000 reduced_to: 83 - symbol: Ge # 84 coordinates: [ 0.716992100000000, 0.340451410000000, 0.967336970000000 ] mass: 72.640000 reduced_to: 84 - symbol: Ge # 85 coordinates: [ 0.785939060000000, 0.941337410000000, 0.250933550000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 86 coordinates: [ 0.285939060000000, 0.558662590000000, 0.749066450000000 ] mass: 72.640000 reduced_to: 86 - symbol: Ge # 87 coordinates: [ 0.714060940000000, 0.558662590000000, 0.750933550000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 88 coordinates: [ 0.214060940000000, 0.941337410000000, 0.249066450000000 ] mass: 72.640000 reduced_to: 88 - symbol: Ge # 89 coordinates: [ 0.214060940000000, 0.058662590000000, 0.749066450000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 90 coordinates: [ 0.714060940000000, 0.441337410000000, 0.250933550000000 ] mass: 72.640000 reduced_to: 90 - symbol: Ge # 91 coordinates: [ 0.285939060000000, 0.441337410000000, 0.249066450000000 ] mass: 72.640000 reduced_to: 91 - symbol: Ge # 92 coordinates: [ 0.785939060000000, 0.058662590000000, 0.750933550000000 ] mass: 72.640000 reduced_to: 92 - symbol: Ge # 93 coordinates: [ 0.500000000000000, 0.912914290000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 94 coordinates: [ 0.000000000000000, 0.587085710000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 94 - symbol: Ge # 95 coordinates: [ 0.500000000000000, 0.087085710000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 95 - symbol: Ge # 96 coordinates: [ 0.000000000000000, 0.412914290000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 96supercell: lattice: - [ 7.386744800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.793871299999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.750042799999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.739428250000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.760571750000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.500000000000000, 0.260571750000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.000000000000000, 0.239428250000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.857789380000000, 0.507118030000000, 0.333341760000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.357789380000000, 0.992881970000000, 0.666658240000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.642210620000000, 0.992881970000000, 0.833341760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.142210620000000, 0.507118030000000, 0.166658240000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.142210620000000, 0.492881970000000, 0.666658240000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.642210620000000, 0.007118030000000, 0.333341760000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.357789380000000, 0.007118030000000, 0.166658240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.857789380000000, 0.492881970000000, 0.833341760000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.855160170000000, 0.582032110000000, 0.091121510000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.355160170000000, 0.917967890000000, 0.908878490000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.644839830000000, 0.917967890000000, 0.591121510000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.144839830000000, 0.582032110000000, 0.408878490000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.144839830000000, 0.417967890000000, 0.908878490000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.644839830000000, 0.082032110000000, 0.091121510000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.355160170000000, 0.082032110000000, 0.408878490000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.855160170000000, 0.417967890000000, 0.591121510000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.501333090000000, 0.640231680000000, 0.402573770000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.001333090000000, 0.859768320000000, 0.597426230000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.998666910000000, 0.859768320000000, 0.902573770000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.498666910000000, 0.640231680000000, 0.097426230000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.498666910000000, 0.359768320000000, 0.597426230000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.998666910000000, 0.140231680000000, 0.402573770000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.001333090000000, 0.140231680000000, 0.097426230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.501333090000000, 0.359768320000000, 0.902573770000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.861978060000000, 0.670199160000000, 0.328810550000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.361978060000000, 0.829800840000000, 0.671189450000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.638021940000000, 0.829800840000000, 0.828810550000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.138021940000000, 0.670199160000000, 0.171189450000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.138021940000000, 0.329800840000000, 0.671189450000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.638021940000000, 0.170199160000000, 0.328810550000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.361978060000000, 0.170199160000000, 0.171189450000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.861978060000000, 0.329800840000000, 0.828810550000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.801569850000000, 0.751198290000000, 0.064565940000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.301569850000000, 0.748801710000000, 0.935434060000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.698430150000000, 0.748801710000000, 0.564565940000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.198430150000000, 0.751198290000000, 0.435434060000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.198430150000000, 0.248801710000000, 0.935434060000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.698430150000000, 0.251198290000000, 0.064565940000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.301569850000000, 0.251198290000000, 0.435434060000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.801569850000000, 0.248801710000000, 0.564565940000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.811804040000000, 0.850637170000000, 0.346113240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.311804040000000, 0.649362830000000, 0.653886760000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.688195960000000, 0.649362830000000, 0.846113240000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.188195960000000, 0.850637170000000, 0.153886760000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.188195960000000, 0.149362830000000, 0.653886760000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.688195960000000, 0.350637170000000, 0.346113240000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.311804040000000, 0.350637170000000, 0.153886760000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.811804040000000, 0.149362830000000, 0.846113240000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.705652690000000, 0.911827760000000, 0.087879470000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.205652690000000, 0.588172240000000, 0.912120530000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.794347310000000, 0.588172240000000, 0.587879470000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.294347310000000, 0.911827760000000, 0.412120530000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.294347310000000, 0.088172240000000, 0.912120530000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.794347310000000, 0.411827760000000, 0.087879470000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.205652690000000, 0.411827760000000, 0.412120530000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.705652690000000, 0.088172240000000, 0.587879470000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.514402870000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.985597130000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.485597130000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.000000000000000, 0.014402870000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 68 - symbol: Ge # 69 coordinates: [ 0.713855690000000, 0.655608810000000, 0.028368980000000 ] mass: 72.640000 reduced_to: 69 - symbol: Ge # 70 coordinates: [ 0.213855690000000, 0.844391190000000, 0.971631020000000 ] mass: 72.640000 reduced_to: 70 - symbol: Ge # 71 coordinates: [ 0.786144310000000, 0.844391190000000, 0.528368980000000 ] mass: 72.640000 reduced_to: 71 - symbol: Ge # 72 coordinates: [ 0.286144310000000, 0.655608810000000, 0.471631020000000 ] mass: 72.640000 reduced_to: 72 - symbol: Ge # 73 coordinates: [ 0.286144310000000, 0.344391190000000, 0.971631020000000 ] mass: 72.640000 reduced_to: 73 - symbol: Ge # 74 coordinates: [ 0.786144310000000, 0.155608810000000, 0.028368980000000 ] mass: 72.640000 reduced_to: 74 - symbol: Ge # 75 coordinates: [ 0.213855690000000, 0.155608810000000, 0.471631020000000 ] mass: 72.640000 reduced_to: 75 - symbol: Ge # 76 coordinates: [ 0.713855690000000, 0.344391190000000, 0.528368980000000 ] mass: 72.640000 reduced_to: 76 - symbol: Ge # 77 coordinates: [ 0.716992100000000, 0.659548590000000, 0.467336970000000 ] mass: 72.640000 reduced_to: 77 - symbol: Ge # 78 coordinates: [ 0.216992100000000, 0.840451410000000, 0.532663030000000 ] mass: 72.640000 reduced_to: 78 - symbol: Ge # 79 coordinates: [ 0.783007900000000, 0.840451410000000, 0.967336970000000 ] mass: 72.640000 reduced_to: 79 - symbol: Ge # 80 coordinates: [ 0.283007900000000, 0.659548590000000, 0.032663030000000 ] mass: 72.640000 reduced_to: 80 - symbol: Ge # 81 coordinates: [ 0.283007900000000, 0.340451410000000, 0.532663030000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 82 coordinates: [ 0.783007900000000, 0.159548590000000, 0.467336970000000 ] mass: 72.640000 reduced_to: 82 - symbol: Ge # 83 coordinates: [ 0.216992100000000, 0.159548590000000, 0.032663030000000 ] mass: 72.640000 reduced_to: 83 - symbol: Ge # 84 coordinates: [ 0.716992100000000, 0.340451410000000, 0.967336970000000 ] mass: 72.640000 reduced_to: 84 - symbol: Ge # 85 coordinates: [ 0.785939060000000, 0.941337410000000, 0.250933550000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 86 coordinates: [ 0.285939060000000, 0.558662590000000, 0.749066450000000 ] mass: 72.640000 reduced_to: 86 - symbol: Ge # 87 coordinates: [ 0.714060940000000, 0.558662590000000, 0.750933550000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 88 coordinates: [ 0.214060940000000, 0.941337410000000, 0.249066450000000 ] mass: 72.640000 reduced_to: 88 - symbol: Ge # 89 coordinates: [ 0.214060940000000, 0.058662590000000, 0.749066450000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 90 coordinates: [ 0.714060940000000, 0.441337410000000, 0.250933550000000 ] mass: 72.640000 reduced_to: 90 - symbol: Ge # 91 coordinates: [ 0.285939060000000, 0.441337410000000, 0.249066450000000 ] mass: 72.640000 reduced_to: 91 - symbol: Ge # 92 coordinates: [ 0.785939060000000, 0.058662590000000, 0.750933550000000 ] mass: 72.640000 reduced_to: 92 - symbol: Ge # 93 coordinates: [ 0.500000000000000, 0.912914290000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 94 coordinates: [ 0.000000000000000, 0.587085710000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 94 - symbol: Ge # 95 coordinates: [ 0.500000000000000, 0.087085710000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 95 - symbol: Ge # 96 coordinates: [ 0.000000000000000, 0.412914290000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 96displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0144811400000000, -0.0004697300000000, -0.0094018000000000 ] - [ 0.0009171400000000, 0.0002894500000000, 0.0001171600000000 ] - [ -0.0000489800000000, 0.0002881200000000, 0.0000067400000000 ] - [ 0.0000903800000000, -0.0002891500000000, -0.0000510900000000 ] - [ 0.0005522500000000, -0.0000168200000000, -0.0000054200000000 ] - [ -0.0004334900000000, -0.0000502200000000, 0.0000267300000000 ] - [ -0.0004329400000000, 0.0000501500000000, 0.0000266300000000 ] - [ 0.0005515100000000, 0.0000160700000000, -0.0000051200000000 ] - [ 0.0002058400000000, 0.0007661800000000, -0.0009795000000000 ] - [ 0.0003430600000000, 0.0010121200000000, 0.0010092700000000 ] - [ -0.0004280700000000, -0.0020217000000000, -0.0007022000000000 ] - [ -0.0005610500000000, 0.0002451600000000, 0.0007358300000000 ] - [ -0.0015928200000000, -0.0023387600000000, 0.0011940500000000 ] - [ -0.0001003900000000, 0.0001090000000000, -0.0009431200000000 ] - [ 0.0006688900000000, 0.0009038500000000, 0.0007667800000000 ] - [ -0.0008267500000000, 0.0013306000000000, -0.0005194700000000 ] - [ -0.0017623900000000, 0.0010034400000000, -0.0016110600000000 ] - [ 0.0010061700000000, 0.0006328800000000, 0.0001761900000000 ] - [ 0.0020666700000000, -0.0013361000000000, 0.0000715000000000 ] - [ -0.0007000200000000, -0.0002991200000000, -0.0015081100000000 ] - [ 0.0003593900000000, -0.0004903400000000, 0.0001199400000000 ] - [ 0.0006229900000000, 0.0002678900000000, -0.0001106900000000 ] - [ -0.0004375300000000, 0.0004343200000000, -0.0000077200000000 ] - [ -0.0007017100000000, -0.0002101800000000, 0.0000161500000000 ] - [ 0.0029605800000000, 0.0008888200000000, -0.0002090500000000 ] - [ -0.0031078100000000, -0.0006645500000000, -0.0004988900000000 ] - [ -0.0033494700000000, 0.0001014100000000, 0.0000511600000000 ] - [ 0.0027081700000000, -0.0003319400000000, -0.0007649100000000 ] - [ -0.0000214000000000, -0.0002928500000000, -0.0002805300000000 ] - [ -0.0002453300000000, 0.0002734100000000, 0.0002651200000000 ] - [ 0.0000112000000000, 0.0002854700000000, -0.0002892900000000 ] - [ 0.0002351400000000, -0.0002647200000000, 0.0002757900000000 ] - [ -0.0008016300000000, 0.0004586400000000, 0.0011290100000000 ] - [ 0.0072953600000000, -0.0024675000000000, 0.0034502700000000 ] - [ 0.0064930100000000, 0.0039200400000000, 0.0033394600000000 ] - [ -0.0017268300000000, -0.0016878700000000, 0.0013768400000000 ] - [ -0.0004969700000000, 0.0003974900000000, 0.0001090700000000 ] - [ -0.0004240900000000, -0.0006715900000000, -0.0001235700000000 ] - [ 0.0005015800000000, -0.0005541000000000, 0.0001258800000000 ] - [ 0.0004272700000000, 0.0008311500000000, -0.0001377600000000 ] - [ -0.0007425100000000, 0.0002328000000000, -0.0014211500000000 ] - [ -0.0006716100000000, 0.0002043300000000, 0.0046881000000000 ] - [ -0.0007908700000000, -0.0010863400000000, 0.0044086800000000 ] - [ -0.0009343000000000, 0.0006481900000000, -0.0011641500000000 ] - [ -0.0001077700000000, -0.0004353300000000, 0.0001340200000000 ] - [ -0.0000753600000000, 0.0004541100000000, -0.0001508600000000 ] - [ 0.0001140300000000, 0.0004403800000000, 0.0001070100000000 ] - [ 0.0000814200000000, -0.0004536900000000, -0.0001226700000000 ] - [ -0.0004489000000000, -0.0007007500000000, 0.0012518600000000 ] - [ 0.0007728900000000, -0.0041974400000000, -0.0025603700000000 ] - [ 0.0005993400000000, 0.0032343900000000, -0.0017869200000000 ] - [ -0.0007151400000000, 0.0016041100000000, 0.0005141400000000 ] - [ -0.0002887000000000, -0.0002867100000000, -0.0004230900000000 ] - [ -0.0000758200000000, 0.0004992400000000, 0.0003271000000000 ] - [ 0.0001919400000000, 0.0004115200000000, -0.0004046700000000 ] - [ -0.0000202900000000, -0.0006169400000000, 0.0003107500000000 ] - [ -0.0001853700000000, -0.0013885800000000, -0.0012121300000000 ] - [ -0.0000832700000000, -0.0010304900000000, 0.0006298200000000 ] - [ -0.0003906700000000, 0.0017286600000000, 0.0011422300000000 ] - [ -0.0004944400000000, 0.0006967900000000, -0.0017277700000000 ] - [ -0.0002036800000000, 0.0005094100000000, -0.0000966800000000 ] - [ -0.0001217800000000, -0.0002352200000000, 0.0002122400000000 ] - [ 0.0001887000000000, -0.0004568800000000, -0.0002971400000000 ] - [ 0.0001043000000000, 0.0001860300000000, 0.0004075200000000 ] - [ 0.0029106000000000, -0.0000089100000000, 0.0008519200000000 ] - [ -0.0010146900000000, 0.0000104600000000, -0.0000590700000000 ] - [ 0.0001830000000000, 0.0000101300000000, -0.0000456300000000 ] - [ -0.0004385000000000, -0.0000118200000000, 0.0000523100000000 ] - [ -0.0012932300000000, -0.0004036400000000, 0.0065607500000000 ] - [ 0.0027791000000000, -0.0065213000000000, -0.0020107100000000 ] - [ 0.0039944000000000, 0.0056924300000000, -0.0022933000000000 ] - [ -0.0000712700000000, 0.0012531900000000, 0.0068196700000000 ] - [ 0.0004552400000000, -0.0003622100000000, 0.0001469500000000 ] - [ 0.0007043000000000, 0.0004866400000000, 0.0000044900000000 ] - [ -0.0005078800000000, 0.0003565500000000, 0.0002662300000000 ] - [ -0.0007586200000000, -0.0004908200000000, -0.0001134500000000 ] - [ -0.0014865500000000, -0.0042565400000000, -0.0047457500000000 ] - [ 0.0047188900000000, -0.0032114700000000, 0.0040497800000000 ] - [ 0.0052035600000000, 0.0022316400000000, 0.0040610400000000 ] - [ -0.0009718100000000, 0.0052649000000000, -0.0047419000000000 ] - [ 0.0000928500000000, -0.0003572700000000, 0.0000482500000000 ] - [ 0.0003711000000000, 0.0006087100000000, -0.0000606800000000 ] - [ -0.0001276100000000, 0.0004044900000000, -0.0000644100000000 ] - [ -0.0004076200000000, -0.0006592400000000, 0.0000509100000000 ] - [ 0.0011000900000000, 0.0011514600000000, 0.0005563300000000 ] - [ -0.0001664400000000, 0.0065400300000000, -0.0025802400000000 ] - [ -0.0013418400000000, -0.0067344400000000, -0.0022286500000000 ] - [ -0.0000610800000000, -0.0009631500000000, 0.0002201400000000 ] - [ 0.0000648200000000, -0.0005204800000000, -0.0004946200000000 ] - [ -0.0008563000000000, -0.0001075700000000, 0.0002710600000000 ] - [ 0.0003089100000000, 0.0002937800000000, -0.0000747300000000 ] - [ 0.0012284000000000, 0.0003302100000000, -0.0001530500000000 ] - [ -0.0090910900000000, 0.0004098800000000, -0.0032632800000000 ] - [ 0.0025841200000000, -0.0004435300000000, 0.0008223800000000 ] - [ -0.0005255900000000, -0.0004423800000000, -0.0000767900000000 ] - [ 0.0013828100000000, 0.0004402100000000, -0.0007820700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0448076700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008170200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009592600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005165700000000, 0.0000000000000000 ] - [ 0.0000216600000000, 0.0004919200000000, 0.0004219300000000 ] - [ -0.0000432000000000, 0.0007189400000000, -0.0003900100000000 ] - [ 0.0000432000000000, 0.0007189400000000, 0.0003900100000000 ] - [ -0.0000216600000000, 0.0004919200000000, -0.0004219300000000 ] - [ 0.0001088300000000, -0.0000038700000000, -0.0009196100000000 ] - [ 0.0011025800000000, -0.0027914900000000, 0.0007956000000000 ] - [ -0.0011025800000000, -0.0027914900000000, -0.0007956000000000 ] - [ -0.0001088300000000, -0.0000038700000000, 0.0009196100000000 ] - [ -0.0015194700000000, -0.0027157600000000, 0.0008875700000000 ] - [ -0.0002067800000000, -0.0002632900000000, -0.0008899100000000 ] - [ 0.0002067800000000, -0.0002632900000000, 0.0008899100000000 ] - [ 0.0015194700000000, -0.0027157600000000, -0.0008875700000000 ] - [ 0.0004839900000000, 0.0004657900000000, 0.0020690100000000 ] - [ 0.0008527100000000, -0.0010411800000000, -0.0018070900000000 ] - [ -0.0008527100000000, -0.0010411800000000, 0.0018070900000000 ] - [ -0.0004839900000000, 0.0004657900000000, -0.0020690100000000 ] - [ 0.0009247500000000, -0.0014695300000000, 0.0005639200000000 ] - [ 0.0003519800000000, -0.0004810200000000, -0.0000745100000000 ] - [ -0.0003519800000000, -0.0004810200000000, 0.0000745100000000 ] - [ -0.0009247500000000, -0.0014695300000000, -0.0005639200000000 ] - [ 0.0010513400000000, 0.0014325400000000, -0.0009715800000000 ] - [ 0.0022492300000000, 0.0006157400000000, 0.0007578500000000 ] - [ -0.0022492300000000, 0.0006157400000000, -0.0007578500000000 ] - [ -0.0010513400000000, 0.0014325400000000, 0.0009715800000000 ] - [ -0.0001631000000000, -0.0009742400000000, -0.0004421700000000 ] - [ -0.0001299400000000, -0.0002869600000000, 0.0003305000000000 ] - [ 0.0001299400000000, -0.0002869600000000, -0.0003305000000000 ] - [ 0.0001631000000000, -0.0009742400000000, 0.0004421700000000 ] - [ 0.0003006900000000, 0.0008990500000000, 0.0001443300000000 ] - [ -0.0030646900000000, 0.0112330200000000, -0.0018863100000000 ] - [ 0.0030646900000000, 0.0112330200000000, 0.0018863100000000 ] - [ -0.0003006900000000, 0.0008990500000000, -0.0001443300000000 ] - [ -0.0002617800000000, -0.0005324000000000, -0.0001500400000000 ] - [ -0.0005982500000000, -0.0014660000000000, -0.0002333400000000 ] - [ 0.0005982500000000, -0.0014660000000000, 0.0002333400000000 ] - [ 0.0002617800000000, -0.0005324000000000, 0.0001500400000000 ] - [ 0.0001926600000000, 0.0054486100000000, -0.0009298000000000 ] - [ -0.0003416300000000, 0.0068655400000000, -0.0008572800000000 ] - [ 0.0003416300000000, 0.0068655400000000, 0.0008572800000000 ] - [ -0.0001926600000000, 0.0054486100000000, 0.0009298000000000 ] - [ -0.0002589500000000, -0.0021801700000000, 0.0003407100000000 ] - [ 0.0000817000000000, -0.0011828700000000, 0.0000836100000000 ] - [ -0.0000817000000000, -0.0011828700000000, -0.0000836100000000 ] - [ 0.0002589500000000, -0.0021801700000000, -0.0003407100000000 ] - [ 0.0000515000000000, 0.0014372700000000, 0.0004762200000000 ] - [ -0.0036601000000000, -0.0001407800000000, -0.0048759300000000 ] - [ 0.0036601000000000, -0.0001407800000000, 0.0048759300000000 ] - [ -0.0000515000000000, 0.0014372700000000, -0.0004762200000000 ] - [ 0.0000656300000000, -0.0016566800000000, 0.0001526500000000 ] - [ -0.0002285600000000, -0.0002971800000000, 0.0005060300000000 ] - [ 0.0002285600000000, -0.0002971800000000, -0.0005060300000000 ] - [ -0.0000656300000000, -0.0016566800000000, -0.0001526500000000 ] - [ -0.0004238400000000, -0.0009854100000000, -0.0021796600000000 ] - [ -0.0005609000000000, 0.0009680000000000, 0.0019415000000000 ] - [ 0.0005609000000000, 0.0009680000000000, -0.0019415000000000 ] - [ 0.0004238400000000, -0.0009854100000000, 0.0021796600000000 ] - [ 0.0000331700000000, -0.0008123000000000, -0.0009880500000000 ] - [ -0.0002514700000000, -0.0010425900000000, 0.0001466900000000 ] - [ 0.0002514700000000, -0.0010425900000000, -0.0001466900000000 ] - [ -0.0000331700000000, -0.0008123000000000, 0.0009880500000000 ] - [ 0.0000000000000000, -0.0017273100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001378600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003698600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006834900000000, 0.0000000000000000 ] - [ -0.0025820200000000, -0.0044717100000000, -0.0081418300000000 ] - [ -0.0023232600000000, -0.0040079300000000, 0.0036456200000000 ] - [ 0.0023232600000000, -0.0040079300000000, -0.0036456200000000 ] - [ 0.0025820200000000, -0.0044717100000000, 0.0081418300000000 ] - [ 0.0006448500000000, 0.0016413700000000, 0.0000227700000000 ] - [ 0.0005577900000000, 0.0023043700000000, 0.0003595100000000 ] - [ -0.0005577900000000, 0.0023043700000000, -0.0003595100000000 ] - [ -0.0006448500000000, 0.0016413700000000, -0.0000227700000000 ] - [ -0.0021935200000000, -0.0042091100000000, 0.0026158500000000 ] - [ -0.0052253800000000, -0.0036032600000000, -0.0069232100000000 ] - [ 0.0052253800000000, -0.0036032600000000, 0.0069232100000000 ] - [ 0.0021935200000000, -0.0042091100000000, -0.0026158500000000 ] - [ 0.0000621700000000, 0.0015249300000000, 0.0006431800000000 ] - [ 0.0005312100000000, 0.0025876600000000, 0.0000407800000000 ] - [ -0.0005312100000000, 0.0025876600000000, -0.0000407800000000 ] - [ -0.0000621700000000, 0.0015249300000000, -0.0006431800000000 ] - [ 0.0009063400000000, 0.0003026600000000, 0.0010022300000000 ] - [ 0.0047726800000000, 0.0069850100000000, -0.0024821200000000 ] - [ -0.0047726800000000, 0.0069850100000000, 0.0024821200000000 ] - [ -0.0009063400000000, 0.0003026600000000, -0.0010022300000000 ] - [ -0.0013393500000000, 0.0022997800000000, 0.0003166900000000 ] - [ -0.0004357800000000, 0.0012168500000000, 0.0002290400000000 ] - [ 0.0004357800000000, 0.0012168500000000, -0.0002290400000000 ] - [ 0.0013393500000000, 0.0022997800000000, -0.0003166900000000 ] - [ 0.0000000000000000, 0.0179729500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015630200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013821800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036286300000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0433000800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013986700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003784700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010987100000000, 0.0000000000000000 ] - [ -0.0000205500000000, -0.0004922200000000, -0.0004234200000000 ] - [ 0.0000420900000000, -0.0007181800000000, 0.0003887400000000 ] - [ -0.0000420900000000, -0.0007181800000000, -0.0003887400000000 ] - [ 0.0000205500000000, -0.0004922200000000, 0.0004234200000000 ] - [ 0.0006515400000000, 0.0010112800000000, -0.0007939300000000 ] - [ -0.0003397900000000, 0.0017881900000000, 0.0009213100000000 ] - [ 0.0003397900000000, 0.0017881900000000, -0.0009213100000000 ] - [ -0.0006515400000000, 0.0010112800000000, 0.0007939300000000 ] - [ 0.0007604500000000, 0.0017047100000000, 0.0008292000000000 ] - [ -0.0005592500000000, 0.0012761900000000, -0.0008232800000000 ] - [ 0.0005592500000000, 0.0012761900000000, 0.0008232800000000 ] - [ -0.0007604500000000, 0.0017047100000000, -0.0008292000000000 ] - [ -0.0015562900000000, 0.0002378400000000, -0.0021802800000000 ] - [ -0.0019109400000000, 0.0003420100000000, 0.0019015000000000 ] - [ 0.0019109400000000, 0.0003420100000000, -0.0019015000000000 ] - [ 0.0015562900000000, 0.0002378400000000, 0.0021802800000000 ] - [ 0.0001433500000000, 0.0007692100000000, -0.0004598600000000 ] - [ 0.0007179000000000, 0.0011865200000000, -0.0000307100000000 ] - [ -0.0007179000000000, 0.0011865200000000, 0.0000307100000000 ] - [ -0.0001433500000000, 0.0007692100000000, 0.0004598600000000 ] - [ -0.0008022100000000, -0.0008922800000000, 0.0015430100000000 ] - [ -0.0019896300000000, -0.0011606100000000, -0.0013172400000000 ] - [ 0.0019896300000000, -0.0011606100000000, 0.0013172400000000 ] - [ 0.0008022100000000, -0.0008922800000000, -0.0015430100000000 ] - [ -0.0000907200000000, 0.0004286000000000, -0.0001195900000000 ] - [ -0.0001212500000000, 0.0008381800000000, 0.0002345300000000 ] - [ 0.0001212500000000, 0.0008381800000000, -0.0002345300000000 ] - [ 0.0000907200000000, 0.0004286000000000, 0.0001195900000000 ] - [ 0.0006225200000000, -0.0021463000000000, -0.0003870700000000 ] - [ 0.0036166800000000, -0.0095134700000000, 0.0018414500000000 ] - [ -0.0036166800000000, -0.0095134700000000, -0.0018414500000000 ] - [ -0.0006225200000000, -0.0021463000000000, 0.0003870700000000 ] - [ -0.0006610200000000, 0.0017693200000000, 0.0003925300000000 ] - [ -0.0003229600000000, 0.0002319800000000, -0.0000076300000000 ] - [ 0.0003229600000000, 0.0002319800000000, 0.0000076300000000 ] - [ 0.0006610200000000, 0.0017693200000000, -0.0003925300000000 ] - [ -0.0000029600000000, -0.0045652700000000, 0.0006655600000000 ] - [ 0.0005165800000000, -0.0077516700000000, 0.0011398900000000 ] - [ -0.0005165800000000, -0.0077516700000000, -0.0011398900000000 ] - [ 0.0000029600000000, -0.0045652700000000, -0.0006655600000000 ] - [ 0.0000672400000000, 0.0012902800000000, -0.0000804100000000 ] - [ -0.0002726300000000, 0.0020728800000000, -0.0003463400000000 ] - [ 0.0002726300000000, 0.0020728800000000, 0.0003463400000000 ] - [ -0.0000672400000000, 0.0012902800000000, 0.0000804100000000 ] - [ 0.0002239300000000, -0.0005147100000000, 0.0002530900000000 ] - [ 0.0038827500000000, -0.0008952300000000, 0.0041109800000000 ] - [ -0.0038827500000000, -0.0008952300000000, -0.0041109800000000 ] - [ -0.0002239300000000, -0.0005147100000000, -0.0002530900000000 ] - [ -0.0003397200000000, 0.0007422400000000, -0.0008923700000000 ] - [ -0.0000477200000000, 0.0012112100000000, 0.0002319100000000 ] - [ 0.0000477200000000, 0.0012112100000000, -0.0002319100000000 ] - [ 0.0003397200000000, 0.0007422400000000, 0.0008923700000000 ] - [ 0.0007337300000000, 0.0003011000000000, 0.0026879700000000 ] - [ 0.0008853300000000, -0.0002826800000000, -0.0024542600000000 ] - [ -0.0008853300000000, -0.0002826800000000, 0.0024542600000000 ] - [ -0.0007337300000000, 0.0003011000000000, -0.0026879700000000 ] - [ -0.0003480800000000, 0.0015001300000000, 0.0004786500000000 ] - [ -0.0000629300000000, 0.0003544800000000, 0.0003589500000000 ] - [ 0.0000629300000000, 0.0003544800000000, -0.0003589500000000 ] - [ 0.0003480800000000, 0.0015001300000000, -0.0004786500000000 ] - [ 0.0000000000000000, 0.0017120400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001629400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003914400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006639900000000, 0.0000000000000000 ] - [ 0.0013637700000000, 0.0053444600000000, 0.0078869300000000 ] - [ 0.0010991900000000, 0.0031101400000000, -0.0033694400000000 ] - [ -0.0010991900000000, 0.0031101400000000, 0.0033694400000000 ] - [ -0.0013637700000000, 0.0053444600000000, -0.0078869300000000 ] - [ 0.0005692400000000, -0.0025000800000000, 0.0002433000000000 ] - [ 0.0006568300000000, -0.0014554000000000, -0.0006221700000000 ] - [ -0.0006568300000000, -0.0014554000000000, 0.0006221700000000 ] - [ -0.0005692400000000, -0.0025000800000000, -0.0002433000000000 ] - [ 0.0016971400000000, 0.0052781400000000, -0.0026099700000000 ] - [ 0.0047259300000000, 0.0025883200000000, 0.0069267400000000 ] - [ -0.0047259300000000, 0.0025883200000000, -0.0069267400000000 ] - [ -0.0016971400000000, 0.0052781400000000, 0.0026099700000000 ] - [ 0.0004355900000000, -0.0025462100000000, -0.0006528400000000 ] - [ -0.0000337600000000, -0.0015680800000000, -0.0000341000000000 ] - [ 0.0000337600000000, -0.0015680800000000, 0.0000341000000000 ] - [ -0.0004355900000000, -0.0025462100000000, 0.0006528400000000 ] - [ 0.0002576300000000, -0.0001270800000000, -0.0006640000000000 ] - [ -0.0036723500000000, -0.0072138700000000, 0.0021241700000000 ] - [ 0.0036723500000000, -0.0072138700000000, -0.0021241700000000 ] - [ -0.0002576300000000, -0.0001270800000000, 0.0006640000000000 ] - [ 0.0001777500000000, -0.0024803800000000, -0.0006540500000000 ] - [ -0.0007259100000000, -0.0010327800000000, 0.0001177000000000 ] - [ 0.0007259100000000, -0.0010327800000000, -0.0001177000000000 ] - [ -0.0001777500000000, -0.0024803800000000, 0.0006540500000000 ] - [ 0.0000000000000000, -0.0168695500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006945800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022654400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0027534700000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0093998900000000, -0.0003552300000000, -0.0188399400000000 ] - [ -0.0001160100000000, 0.0002916400000000, 0.0015413600000000 ] - [ 0.0000061500000000, 0.0002910700000000, 0.0000592200000000 ] - [ 0.0000502200000000, -0.0002919500000000, -0.0000850700000000 ] - [ 0.0000370100000000, 0.0004127600000000, 0.0000885300000000 ] - [ 0.0000345300000000, -0.0004528700000000, 0.0001813400000000 ] - [ 0.0000358100000000, 0.0004533600000000, 0.0001803900000000 ] - [ 0.0000361600000000, -0.0004133200000000, 0.0000878100000000 ] - [ 0.0002188500000000, 0.0001577600000000, -0.0014157700000000 ] - [ 0.0000733500000000, 0.0008113700000000, 0.0016189400000000 ] - [ -0.0006845200000000, -0.0018084300000000, -0.0000920300000000 ] - [ -0.0005424500000000, 0.0008553700000000, 0.0002881800000000 ] - [ -0.0010850300000000, -0.0019289900000000, 0.0016479200000000 ] - [ -0.0004609600000000, 0.0007929200000000, -0.0013240500000000 ] - [ 0.0002927300000000, 0.0002061800000000, 0.0003853200000000 ] - [ -0.0003218800000000, 0.0009181800000000, -0.0000601600000000 ] - [ -0.0014194700000000, 0.0011259800000000, -0.0016352900000000 ] - [ -0.0004562800000000, -0.0020015900000000, 0.0015154400000000 ] - [ 0.0006205600000000, 0.0012976300000000, 0.0013959400000000 ] - [ -0.0003476300000000, -0.0004211000000000, -0.0015334100000000 ] - [ 0.0004723900000000, -0.0001806900000000, 0.0002070300000000 ] - [ 0.0005511900000000, 0.0002387800000000, -0.0001950900000000 ] - [ -0.0005209000000000, 0.0004586500000000, -0.0000874500000000 ] - [ -0.0005996600000000, -0.0005189000000000, 0.0000951400000000 ] - [ -0.0001449500000000, -0.0009279200000000, -0.0011648200000000 ] - [ 0.0003444800000000, 0.0008047000000000, -0.0002104500000000 ] - [ 0.0001152900000000, -0.0013593800000000, 0.0003566900000000 ] - [ -0.0003946400000000, 0.0014853800000000, -0.0017254900000000 ] - [ -0.0001230600000000, -0.0003062200000000, -0.0002635000000000 ] - [ -0.0001673900000000, 0.0002931400000000, 0.0002521400000000 ] - [ 0.0000942300000000, 0.0002541500000000, -0.0003086400000000 ] - [ 0.0001302100000000, -0.0002399400000000, 0.0002958200000000 ] - [ 0.0019626200000000, -0.0020837200000000, -0.0029155000000000 ] - [ 0.0038589300000000, -0.0006732300000000, 0.0065406400000000 ] - [ 0.0030241500000000, 0.0020031400000000, 0.0063393400000000 ] - [ 0.0010418500000000, 0.0008622700000000, -0.0026732500000000 ] - [ -0.0004594200000000, 0.0004477800000000, 0.0001819800000000 ] - [ -0.0004552300000000, -0.0005859300000000, -0.0001830000000000 ] - [ 0.0004640400000000, -0.0006422200000000, 0.0000562100000000 ] - [ 0.0004610700000000, 0.0007806100000000, -0.0000573700000000 ] - [ -0.0006923500000000, 0.0003039500000000, -0.0013484600000000 ] - [ 0.0048852700000000, -0.0016800400000000, -0.0028247500000000 ] - [ 0.0047066000000000, 0.0007929700000000, -0.0031649800000000 ] - [ -0.0008775200000000, 0.0005793700000000, -0.0010930800000000 ] - [ -0.0001011600000000, -0.0004295200000000, 0.0001347500000000 ] - [ -0.0000920000000000, 0.0004504500000000, -0.0001525100000000 ] - [ 0.0001038800000000, 0.0004466600000000, 0.0001068400000000 ] - [ 0.0000927500000000, -0.0004660900000000, -0.0001263200000000 ] - [ 0.0003810500000000, 0.0023187600000000, -0.0023128100000000 ] - [ -0.0022373800000000, -0.0047512300000000, 0.0032989400000000 ] - [ -0.0024851800000000, 0.0038203400000000, 0.0041103100000000 ] - [ 0.0001057700000000, -0.0014116600000000, -0.0030452400000000 ] - [ -0.0002551200000000, -0.0003393100000000, -0.0003327400000000 ] - [ -0.0001746200000000, 0.0004303900000000, 0.0002855300000000 ] - [ 0.0001041500000000, 0.0004744400000000, -0.0004513500000000 ] - [ 0.0000221100000000, -0.0005732300000000, 0.0003991600000000 ] - [ 0.0000122000000000, -0.0013571100000000, -0.0016817000000000 ] - [ 0.0005781100000000, 0.0022582800000000, 0.0018698900000000 ] - [ 0.0002685200000000, -0.0015690400000000, 0.0023674900000000 ] - [ -0.0003050100000000, 0.0006738500000000, -0.0022099500000000 ] - [ -0.0001352000000000, 0.0002600200000000, -0.0000655300000000 ] - [ -0.0001274500000000, -0.0002731600000000, 0.0000844100000000 ] - [ 0.0001817300000000, -0.0004134600000000, -0.0004172500000000 ] - [ 0.0001786900000000, 0.0004312500000000, 0.0004380600000000 ] - [ 0.0011930300000000, -0.0000202500000000, 0.0014677400000000 ] - [ 0.0002182700000000, 0.0000101300000000, -0.0006685400000000 ] - [ -0.0000546400000000, 0.0000193400000000, -0.0003231100000000 ] - [ -0.0002559800000000, -0.0000122200000000, 0.0003189400000000 ] - [ 0.0032254100000000, -0.0027620800000000, 0.0050987300000000 ] - [ -0.0033772400000000, 0.0070346100000000, 0.0015049100000000 ] - [ -0.0021369000000000, -0.0078475700000000, 0.0012493500000000 ] - [ 0.0043876000000000, 0.0035759500000000, 0.0053650800000000 ] - [ 0.0006179000000000, -0.0005462700000000, 0.0001553200000000 ] - [ 0.0006415900000000, 0.0005208100000000, -0.0000612700000000 ] - [ -0.0005714100000000, 0.0003324500000000, 0.0002035800000000 ] - [ -0.0005981000000000, -0.0003150300000000, -0.0001070800000000 ] - [ -0.0037105400000000, 0.0076277800000000, 0.0051435900000000 ] - [ 0.0024733000000000, -0.0037821400000000, 0.0035115800000000 ] - [ 0.0029737500000000, 0.0027983400000000, 0.0034887300000000 ] - [ -0.0032508200000000, -0.0066485500000000, 0.0051597200000000 ] - [ 0.0002073600000000, -0.0003982300000000, 0.0000247400000000 ] - [ 0.0002860800000000, 0.0004667100000000, 0.0000610100000000 ] - [ -0.0002131000000000, 0.0005532800000000, 0.0000474000000000 ] - [ -0.0002919900000000, -0.0006228800000000, 0.0000330400000000 ] - [ 0.0009704800000000, -0.0008180800000000, 0.0026191600000000 ] - [ 0.0002831800000000, 0.0023906500000000, -0.0063651500000000 ] - [ -0.0008989400000000, -0.0025452600000000, -0.0060040800000000 ] - [ -0.0001887100000000, 0.0010045000000000, 0.0022886900000000 ] - [ -0.0002461600000000, -0.0001721500000000, -0.0010139500000000 ] - [ -0.0005267000000000, 0.0000586000000000, 0.0007538300000000 ] - [ 0.0006383400000000, 0.0001149600000000, 0.0004130800000000 ] - [ 0.0009123500000000, -0.0000062600000000, -0.0006779500000000 ] - [ -0.0033869000000000, 0.0004057500000000, -0.0090964500000000 ] - [ -0.0004499200000000, -0.0004450500000000, 0.0035419000000000 ] - [ 0.0000645800000000, -0.0004393100000000, 0.0004688000000000 ] - [ 0.0007005500000000, 0.0004394100000000, -0.0010151100000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005525300000000, -0.0002697400000000, 0.0000355700000000 ] - [ -0.0004321100000000, 0.0003335400000000, -0.0000353900000000 ] - [ 0.0005528500000000, 0.0003113200000000, 0.0000360800000000 ] - [ -0.0004330900000000, -0.0002485100000000, -0.0000366800000000 ] - [ -0.0327820300000000, -0.0164854800000000, -0.0124260100000000 ] - [ 0.0001104600000000, 0.0000230300000000, 0.0000500300000000 ] - [ 0.0000613600000000, 0.0000249900000000, -0.0000026300000000 ] - [ -0.0008380500000000, -0.0000471600000000, 0.0000568600000000 ] - [ 0.0089174600000000, 0.0017625500000000, 0.0064840400000000 ] - [ 0.0003376800000000, -0.0005429500000000, 0.0008489500000000 ] - [ -0.0004437000000000, -0.0005694000000000, -0.0008139300000000 ] - [ 0.0012551300000000, 0.0003152600000000, 0.0017996200000000 ] - [ 0.0083209500000000, 0.0007676700000000, 0.0085377200000000 ] - [ -0.0004184800000000, 0.0004601400000000, -0.0008631300000000 ] - [ 0.0003118500000000, 0.0004348700000000, 0.0008984500000000 ] - [ 0.0020094400000000, -0.0006824500000000, 0.0000807100000000 ] - [ -0.0004284100000000, 0.0013257400000000, -0.0012519400000000 ] - [ -0.0006024500000000, -0.0004554900000000, 0.0000773400000000 ] - [ 0.0004313500000000, -0.0001665300000000, 0.0000283700000000 ] - [ 0.0085339400000000, 0.0063654600000000, -0.0018053600000000 ] - [ 0.0006439600000000, 0.0006185100000000, -0.0011386700000000 ] - [ 0.0004673800000000, 0.0002453200000000, -0.0000312700000000 ] - [ -0.0006440800000000, 0.0005379500000000, 0.0001403100000000 ] - [ 0.0072993500000000, 0.0053793900000000, -0.0017698200000000 ] - [ -0.0032168500000000, 0.0003920500000000, -0.0002088600000000 ] - [ 0.0006049100000000, -0.0003329400000000, -0.0003717100000000 ] - [ 0.0000576000000000, -0.0002794300000000, 0.0002769000000000 ] - [ -0.0011041000000000, 0.0002574700000000, -0.0001585100000000 ] - [ -0.0034804600000000, -0.0001525900000000, -0.0007731200000000 ] - [ 0.0003709500000000, 0.0002132600000000, 0.0001905500000000 ] - [ 0.0003025000000000, 0.0002665900000000, -0.0002837800000000 ] - [ -0.0008641300000000, -0.0002910000000000, 0.0004038000000000 ] - [ 0.0020661900000000, 0.0001695400000000, -0.0008045200000000 ] - [ 0.0002178900000000, 0.0003325700000000, -0.0000641700000000 ] - [ -0.0005808400000000, 0.0007033300000000, -0.0001348800000000 ] - [ -0.0003361900000000, -0.0013880500000000, 0.0013097200000000 ] - [ 0.0011384700000000, 0.0014004600000000, -0.0005592900000000 ] - [ -0.0007117400000000, -0.0008989600000000, -0.0003148500000000 ] - [ 0.0003461800000000, -0.0005268200000000, 0.0001127700000000 ] - [ 0.0005952100000000, -0.0001585200000000, 0.0010613300000000 ] - [ 0.0001777200000000, 0.0008413000000000, -0.0000651500000000 ] - [ -0.0000626300000000, -0.0008858800000000, 0.0001993100000000 ] - [ -0.0002815300000000, 0.0012650500000000, -0.0003529100000000 ] - [ -0.0001606600000000, -0.0016783300000000, -0.0002152600000000 ] - [ -0.0000133400000000, -0.0000404400000000, 0.0001918800000000 ] - [ -0.0002555300000000, -0.0000026300000000, -0.0000567600000000 ] - [ -0.0000923200000000, 0.0021545100000000, -0.0000928800000000 ] - [ 0.0000305700000000, -0.0025641900000000, -0.0004753000000000 ] - [ 0.0002472300000000, 0.0006240300000000, 0.0002331700000000 ] - [ -0.0013893900000000, -0.0015250800000000, -0.0009977700000000 ] - [ -0.0007376900000000, 0.0000879800000000, 0.0017669500000000 ] - [ -0.0000959800000000, 0.0003324100000000, -0.0003493100000000 ] - [ -0.0000290400000000, -0.0002936200000000, -0.0005095700000000 ] - [ -0.0016684000000000, -0.0006043300000000, -0.0002618100000000 ] - [ -0.0004646500000000, 0.0010135900000000, 0.0010381400000000 ] - [ 0.0001817000000000, -0.0005864700000000, 0.0003846000000000 ] - [ 0.0001551100000000, -0.0002926300000000, 0.0002551100000000 ] - [ -0.0002583100000000, -0.0006759200000000, -0.0017891900000000 ] - [ -0.0018013200000000, 0.0036536500000000, 0.0020189700000000 ] - [ -0.0001989400000000, -0.0006661900000000, -0.0001478900000000 ] - [ -0.0001600300000000, 0.0003876700000000, -0.0002611900000000 ] - [ -0.0005752900000000, -0.0013623100000000, -0.0012731000000000 ] - [ -0.0014075200000000, 0.0029496200000000, 0.0014866600000000 ] - [ 0.0001161300000000, 0.0000111000000000, 0.0003731600000000 ] - [ -0.0033968900000000, -0.0003508800000000, 0.0003369000000000 ] - [ 0.0001414400000000, -0.0000110800000000, -0.0000007100000000 ] - [ -0.0034165200000000, -0.0003362300000000, 0.0003434900000000 ] - [ 0.0001393200000000, -0.0000297600000000, -0.0000010600000000 ] - [ 0.0000980400000000, -0.0001509300000000, -0.0007692300000000 ] - [ -0.0007971400000000, -0.0000692800000000, 0.0000826700000000 ] - [ -0.0000042000000000, -0.0011480700000000, -0.0000735600000000 ] - [ 0.0058943500000000, 0.0057464600000000, 0.0003564600000000 ] - [ 0.0013075200000000, -0.0010011900000000, -0.0005126500000000 ] - [ 0.0004137100000000, 0.0007826200000000, -0.0001758000000000 ] - [ -0.0012189400000000, -0.0002986100000000, 0.0001852600000000 ] - [ 0.0046931700000000, 0.0048610700000000, 0.0001191000000000 ] - [ 0.0029611400000000, -0.0055866100000000, 0.0039319200000000 ] - [ -0.0003637700000000, 0.0004142200000000, 0.0005782300000000 ] - [ 0.0001366200000000, -0.0007433200000000, 0.0000995600000000 ] - [ 0.0014275500000000, 0.0010188700000000, 0.0000678600000000 ] - [ 0.0034623800000000, -0.0066427100000000, 0.0039379400000000 ] - [ 0.0001315400000000, 0.0014388700000000, 0.0005881900000000 ] - [ -0.0003617800000000, 0.0002779300000000, 0.0000905800000000 ] - [ 0.0009325200000000, -0.0000019800000000, 0.0000750500000000 ] - [ 0.0005066900000000, 0.0000134700000000, 0.0002036100000000 ] - [ 0.0059552800000000, 0.0023475800000000, 0.0043340200000000 ] - [ 0.0030234500000000, 0.0003677700000000, -0.0069847600000000 ] - [ -0.0006957300000000, 0.0002908900000000, -0.0003192500000000 ] - [ -0.0006522400000000, -0.0001687600000000, -0.0001339500000000 ] - [ 0.0048091900000000, 0.0025360200000000, 0.0046424500000000 ] - [ 0.0041853400000000, 0.0005435300000000, -0.0073693600000000 ] - [ 0.0004653000000000, 0.0001075700000000, 0.0000155700000000 ] - [ 0.0003898500000000, 0.0005914000000000, -0.0000258300000000 ] - [ -0.0100018000000000, -0.0033574300000000, -0.0016073600000000 ] - [ 0.0003913200000000, -0.0002858100000000, -0.0000263900000000 ] - [ -0.0100015000000000, -0.0024435400000000, -0.0016694300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000161900000000, 0.0002009200000000, 0.0004132500000000 ] - [ 0.0000514900000000, 0.0010114800000000, -0.0004533200000000 ] - [ -0.0000164900000000, 0.0007838100000000, 0.0004130100000000 ] - [ 0.0000489500000000, 0.0004270300000000, -0.0004522900000000 ] - [ -0.0164888400000000, -0.0372447700000000, 0.0245268900000000 ] - [ -0.0000228700000000, 0.0006538600000000, -0.0000320300000000 ] - [ 0.0000245000000000, 0.0004666800000000, 0.0000106200000000 ] - [ 0.0000467100000000, -0.0007585600000000, -0.0000461300000000 ] - [ 0.0016844800000000, 0.0071999800000000, -0.0024025500000000 ] - [ 0.0007905200000000, -0.0016353500000000, 0.0008170500000000 ] - [ -0.0007387700000000, -0.0014929500000000, -0.0008378500000000 ] - [ -0.0012475100000000, 0.0038629000000000, 0.0013011600000000 ] - [ 0.0008538500000000, 0.0062189300000000, -0.0008176400000000 ] - [ 0.0000296500000000, -0.0006239000000000, -0.0008913400000000 ] - [ 0.0000187900000000, -0.0004869000000000, 0.0008741300000000 ] - [ -0.0005011800000000, 0.0028604700000000, -0.0004125900000000 ] - [ -0.0007390200000000, 0.0015139100000000, -0.0001784400000000 ] - [ -0.0006863800000000, -0.0010070700000000, 0.0001040400000000 ] - [ 0.0008516400000000, -0.0014129200000000, -0.0003416700000000 ] - [ 0.0064337200000000, 0.0107874900000000, -0.0026213700000000 ] - [ 0.0003382000000000, 0.0008012600000000, -0.0000637200000000 ] - [ 0.0003827800000000, -0.0003101600000000, -0.0000013200000000 ] - [ -0.0002178700000000, -0.0007107200000000, -0.0002349900000000 ] - [ 0.0049415900000000, 0.0096278600000000, -0.0024379500000000 ] - [ -0.0008518500000000, -0.0002363300000000, 0.0005582200000000 ] - [ 0.0001723600000000, -0.0010185100000000, -0.0003907100000000 ] - [ -0.0001625100000000, -0.0006340200000000, 0.0002422200000000 ] - [ -0.0001459000000000, 0.0005612000000000, -0.0001853800000000 ] - [ -0.0011005000000000, -0.0007880600000000, -0.0000113000000000 ] - [ -0.0000822600000000, -0.0004690100000000, 0.0001688400000000 ] - [ 0.0000967900000000, -0.0000858800000000, -0.0003178000000000 ] - [ 0.0001024600000000, 0.0000101100000000, 0.0003751500000000 ] - [ 0.0011954900000000, -0.0010882600000000, 0.0015729900000000 ] - [ 0.0001818000000000, -0.0003263500000000, -0.0003613200000000 ] - [ -0.0004157200000000, -0.0000017500000000, -0.0002483300000000 ] - [ -0.0009205200000000, -0.0008793800000000, 0.0022858900000000 ] - [ 0.0002704200000000, 0.0001416300000000, 0.0018021400000000 ] - [ -0.0007396200000000, -0.0015550200000000, -0.0006042800000000 ] - [ 0.0005020600000000, -0.0012342500000000, -0.0000080400000000 ] - [ 0.0000031800000000, 0.0003474500000000, 0.0020461100000000 ] - [ 0.0000803200000000, -0.0000774100000000, 0.0000495800000000 ] - [ 0.0000578200000000, -0.0009858800000000, 0.0002437600000000 ] - [ -0.0002437300000000, -0.0028867500000000, -0.0003506500000000 ] - [ -0.0001807500000000, -0.0024902600000000, -0.0004625500000000 ] - [ -0.0001119000000000, -0.0009729000000000, 0.0003103900000000 ] - [ -0.0001363600000000, -0.0000968900000000, -0.0000120400000000 ] - [ -0.0000515500000000, -0.0019916700000000, -0.0000905900000000 ] - [ 0.0000121200000000, -0.0033732200000000, -0.0007266300000000 ] - [ 0.0002501600000000, -0.0006249900000000, 0.0009627400000000 ] - [ -0.0005257300000000, 0.0003516300000000, -0.0026603300000000 ] - [ -0.0001797500000000, -0.0003160400000000, -0.0012948500000000 ] - [ -0.0002458700000000, -0.0002100300000000, -0.0004115400000000 ] - [ -0.0000283200000000, -0.0015281600000000, 0.0002263800000000 ] - [ -0.0007960700000000, 0.0012555400000000, -0.0019056400000000 ] - [ 0.0000988200000000, 0.0005935300000000, -0.0020226000000000 ] - [ 0.0000322800000000, -0.0011198900000000, 0.0003165700000000 ] - [ 0.0002455800000000, -0.0009821700000000, 0.0000146500000000 ] - [ 0.0004044600000000, 0.0015336200000000, 0.0003202300000000 ] - [ 0.0035657800000000, 0.0016175800000000, -0.0032587300000000 ] - [ -0.0003127900000000, -0.0014894100000000, 0.0003497900000000 ] - [ -0.0000683700000000, -0.0002901600000000, -0.0004844100000000 ] - [ 0.0000890800000000, 0.0008378000000000, 0.0008221900000000 ] - [ 0.0039120300000000, 0.0008407600000000, -0.0037689900000000 ] - [ 0.0000016700000000, -0.0008018600000000, 0.0008596700000000 ] - [ 0.0012046700000000, 0.0017288500000000, -0.0007153900000000 ] - [ 0.0000133100000000, -0.0005657900000000, 0.0000514700000000 ] - [ 0.0011857100000000, 0.0017508100000000, -0.0007108600000000 ] - [ 0.0000056800000000, -0.0005953500000000, 0.0000512000000000 ] - [ -0.0003395900000000, -0.0000700000000000, 0.0001070200000000 ] - [ -0.0005310700000000, 0.0006228500000000, 0.0002109500000000 ] - [ 0.0006524100000000, 0.0019294600000000, -0.0004549400000000 ] - [ 0.0057955500000000, 0.0062422500000000, 0.0022174600000000 ] - [ 0.0008734900000000, -0.0009253800000000, 0.0003716500000000 ] - [ 0.0006813200000000, 0.0014829500000000, -0.0000502400000000 ] - [ -0.0005600500000000, 0.0027818000000000, -0.0001931500000000 ] - [ 0.0045447200000000, 0.0053612100000000, 0.0019927000000000 ] - [ -0.0035333800000000, 0.0052787300000000, -0.0022117100000000 ] - [ 0.0002001900000000, 0.0020022100000000, 0.0007004600000000 ] - [ 0.0001455900000000, 0.0006291600000000, 0.0000440000000000 ] - [ 0.0006271600000000, -0.0001911800000000, -0.0010589300000000 ] - [ -0.0029793200000000, 0.0042331100000000, -0.0022168400000000 ] - [ 0.0006952400000000, 0.0030250900000000, 0.0007094400000000 ] - [ -0.0003520900000000, 0.0016538000000000, 0.0000348000000000 ] - [ 0.0001319500000000, -0.0012075400000000, -0.0010509200000000 ] - [ 0.0002649800000000, 0.0017980700000000, 0.0000849900000000 ] - [ 0.0006339800000000, -0.0039642100000000, 0.0024501700000000 ] - [ -0.0015695800000000, -0.0062251100000000, 0.0064250800000000 ] - [ -0.0004049400000000, 0.0016773500000000, -0.0006465100000000 ] - [ -0.0008944200000000, 0.0016218800000000, -0.0002468300000000 ] - [ -0.0005102700000000, -0.0037483200000000, 0.0027939100000000 ] - [ -0.0004162800000000, -0.0060243100000000, 0.0060703100000000 ] - [ 0.0007566300000000, 0.0015014700000000, -0.0003107100000000 ] - [ 0.0000156000000000, 0.0024594500000000, 0.0003974100000000 ] - [ -0.0030739000000000, -0.0035217600000000, -0.0127432300000000 ] - [ 0.0000160000000000, 0.0015829800000000, 0.0003964000000000 ] - [ -0.0030756300000000, -0.0025941400000000, -0.0126848400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000054200000000, 0.0001319100000000, 0.0000880800000000 ] - [ -0.0000272600000000, -0.0000980300000000, 0.0001827800000000 ] - [ -0.0000065800000000, 0.0007133400000000, 0.0000895800000000 ] - [ -0.0000272600000000, -0.0006803500000000, 0.0001805100000000 ] - [ -0.0124371300000000, 0.0245247100000000, -0.0680798900000000 ] - [ -0.0000512100000000, -0.0000318100000000, -0.0000674900000000 ] - [ 0.0000007300000000, -0.0000102900000000, 0.0000481700000000 ] - [ 0.0000570900000000, 0.0000464100000000, 0.0020506400000000 ] - [ 0.0073274400000000, -0.0001353600000000, 0.0126572100000000 ] - [ 0.0003659200000000, -0.0004495500000000, 0.0008731000000000 ] - [ -0.0003497500000000, -0.0004580200000000, -0.0008916600000000 ] - [ 0.0008724300000000, 0.0005604200000000, -0.0015406000000000 ] - [ 0.0072105800000000, -0.0011747300000000, 0.0152189800000000 ] - [ -0.0003933800000000, 0.0005599200000000, -0.0008385300000000 ] - [ 0.0004032900000000, 0.0005425600000000, 0.0008266800000000 ] - [ 0.0016456600000000, -0.0004447100000000, -0.0032573800000000 ] - [ -0.0014378200000000, 0.0019457200000000, -0.0029975800000000 ] - [ -0.0005013900000000, -0.0003620400000000, 0.0000144300000000 ] - [ 0.0005183400000000, -0.0004196700000000, -0.0000177800000000 ] - [ -0.0012736400000000, -0.0031959500000000, 0.0081932700000000 ] - [ -0.0003703400000000, 0.0012429400000000, -0.0028885900000000 ] - [ 0.0005652700000000, 0.0003363300000000, -0.0000902400000000 ] - [ -0.0005509500000000, 0.0002818400000000, 0.0000878600000000 ] - [ -0.0024364900000000, -0.0040242400000000, 0.0081224000000000 ] - [ 0.0021471100000000, 0.0005949300000000, 0.0017630500000000 ] - [ -0.0001174100000000, -0.0002239200000000, -0.0001258400000000 ] - [ -0.0000871900000000, -0.0002809400000000, 0.0001988100000000 ] - [ -0.0005073400000000, 0.0003797800000000, -0.0010375100000000 ] - [ 0.0018819800000000, 0.0000431800000000, 0.0012051500000000 ] - [ -0.0003757900000000, 0.0003274900000000, 0.0004362600000000 ] - [ 0.0001658200000000, 0.0002703300000000, -0.0003570100000000 ] - [ -0.0002593800000000, -0.0001709800000000, -0.0004794400000000 ] - [ -0.0004915400000000, 0.0014777600000000, 0.0008658000000000 ] - [ 0.0005853900000000, 0.0005809100000000, 0.0003186200000000 ] - [ -0.0004815700000000, 0.0005332500000000, -0.0001942400000000 ] - [ 0.0001303200000000, 0.0001247400000000, -0.0013421400000000 ] - [ -0.0014078400000000, 0.0027134800000000, 0.0011131000000000 ] - [ -0.0003308500000000, -0.0006515800000000, 0.0000802000000000 ] - [ 0.0004389300000000, -0.0006981300000000, 0.0000488100000000 ] - [ 0.0010527100000000, 0.0013557000000000, -0.0015805800000000 ] - [ -0.0000557400000000, 0.0007656100000000, -0.0005679200000000 ] - [ 0.0001602400000000, -0.0007630000000000, -0.0002607100000000 ] - [ -0.0001761400000000, -0.0013894400000000, 0.0005384500000000 ] - [ 0.0001523900000000, 0.0022358500000000, 0.0009866200000000 ] - [ -0.0002479500000000, -0.0001200200000000, -0.0003129300000000 ] - [ -0.0000333800000000, 0.0001297300000000, -0.0005152100000000 ] - [ 0.0000170600000000, -0.0004988400000000, 0.0007974400000000 ] - [ 0.0003454300000000, 0.0013309600000000, 0.0007245300000000 ] - [ 0.0000474700000000, 0.0005631400000000, 0.0004993700000000 ] - [ -0.0003185000000000, -0.0025761900000000, 0.0022014200000000 ] - [ -0.0002594900000000, -0.0015940900000000, -0.0015754600000000 ] - [ -0.0001034600000000, 0.0005259200000000, -0.0005041700000000 ] - [ -0.0002280400000000, -0.0003441900000000, -0.0002338400000000 ] - [ -0.0005875700000000, -0.0016531800000000, 0.0029179900000000 ] - [ 0.0000151400000000, -0.0006882900000000, -0.0023175300000000 ] - [ 0.0001708200000000, -0.0003896400000000, 0.0002190400000000 ] - [ 0.0001473100000000, -0.0003014700000000, 0.0002025000000000 ] - [ -0.0002393200000000, -0.0018864700000000, -0.0038333500000000 ] - [ 0.0020539000000000, -0.0029856300000000, 0.0045676900000000 ] - [ -0.0001218600000000, -0.0000950500000000, -0.0003049900000000 ] - [ -0.0001635100000000, 0.0003879300000000, -0.0003046700000000 ] - [ -0.0005485400000000, -0.0025708200000000, -0.0033165200000000 ] - [ 0.0023832600000000, -0.0036834900000000, 0.0040075400000000 ] - [ 0.0001954600000000, 0.0005946100000000, 0.0002105800000000 ] - [ -0.0018679200000000, -0.0008450100000000, -0.0005840800000000 ] - [ -0.0000154000000000, 0.0000449800000000, -0.0000125700000000 ] - [ -0.0018541900000000, -0.0008161400000000, -0.0005862500000000 ] - [ -0.0000283600000000, 0.0000246000000000, -0.0000140200000000 ] - [ 0.0004849400000000, -0.0005059100000000, 0.0023512000000000 ] - [ -0.0007213200000000, -0.0003309400000000, 0.0003732000000000 ] - [ 0.0009717500000000, -0.0002280300000000, -0.0004279900000000 ] - [ -0.0020003700000000, -0.0014566500000000, -0.0051324100000000 ] - [ 0.0016991300000000, -0.0013711200000000, 0.0026130700000000 ] - [ 0.0004903600000000, 0.0005255000000000, 0.0001112500000000 ] - [ -0.0002405300000000, 0.0006308000000000, -0.0001668900000000 ] - [ -0.0031880000000000, -0.0022934000000000, -0.0053715200000000 ] - [ 0.0003645100000000, 0.0012649300000000, -0.0065587000000000 ] - [ -0.0003261100000000, -0.0010195800000000, -0.0007465600000000 ] - [ 0.0002912000000000, -0.0005817300000000, 0.0003169300000000 ] - [ 0.0002102600000000, 0.0013453500000000, 0.0027743000000000 ] - [ 0.0008494200000000, 0.0002630900000000, -0.0065797600000000 ] - [ 0.0001699700000000, 0.0000053100000000, -0.0007356300000000 ] - [ -0.0002048800000000, 0.0004409200000000, 0.0003077000000000 ] - [ -0.0002882100000000, 0.0003161200000000, 0.0027809600000000 ] - [ 0.0005991600000000, -0.0000058600000000, 0.0002118000000000 ] - [ 0.0065168000000000, 0.0066249900000000, 0.0042293700000000 ] - [ -0.0041092100000000, 0.0032921100000000, 0.0039450200000000 ] - [ -0.0005369900000000, -0.0000349400000000, -0.0000483800000000 ] - [ -0.0005604800000000, -0.0001834800000000, -0.0001229700000000 ] - [ 0.0053237400000000, 0.0068146600000000, 0.0045505000000000 ] - [ -0.0028997800000000, 0.0034287100000000, 0.0036152400000000 ] - [ 0.0006225300000000, -0.0002149700000000, 0.0002852700000000 ] - [ -0.0000766900000000, 0.0003841900000000, -0.0000023400000000 ] - [ -0.0018223700000000, -0.0132565900000000, 0.0129032300000000 ] - [ -0.0000765000000000, -0.0004918300000000, -0.0000018300000000 ] - [ -0.0018229200000000, -0.0125414200000000, 0.0130199900000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001770600000000, -0.0005561000000000, -0.0001620800000000 ] - [ -0.0000401100000000, -0.0004218100000000, 0.0003038800000000 ] - [ -0.0012098800000000, -0.0008470400000000, -0.0007026900000000 ] - [ 0.0002838200000000, -0.0004689000000000, 0.0000822300000000 ] - [ 0.0086900000000000, 0.0012710100000000, 0.0074640300000000 ] - [ -0.0000409700000000, -0.0004106900000000, 0.0000104300000000 ] - [ -0.0000605200000000, -0.0003583700000000, -0.0000268900000000 ] - [ 0.0016411400000000, 0.0008670100000000, 0.0012545000000000 ] - [ -0.1786003600000000, -0.1334344900000000, -0.0527250000000000 ] - [ 0.0001565500000000, 0.0001844100000000, 0.0008934400000000 ] - [ -0.0001182000000000, 0.0001874500000000, -0.0008559900000000 ] - [ 0.0261334100000000, -0.0059477900000000, -0.0140026800000000 ] - [ -0.0006768600000000, -0.0021424400000000, 0.0020243500000000 ] - [ -0.0006708200000000, 0.0014136000000000, -0.0008554200000000 ] - [ 0.0006828400000000, 0.0012279400000000, 0.0008008900000000 ] - [ 0.0004341000000000, -0.0018669600000000, -0.0008371000000000 ] - [ -0.0059151900000000, -0.0001449000000000, -0.0007371800000000 ] - [ -0.0003882700000000, 0.0001477600000000, -0.0000192800000000 ] - [ 0.0003682500000000, 0.0002187900000000, 0.0001032500000000 ] - [ 0.0180847200000000, 0.0142731400000000, 0.0083614200000000 ] - [ 0.0004726400000000, -0.0015680000000000, -0.0001445600000000 ] - [ 0.0007048200000000, 0.0010068800000000, -0.0001025700000000 ] - [ -0.0005337600000000, 0.0008142100000000, 0.0000613300000000 ] - [ -0.0033521800000000, -0.0013376300000000, -0.0027599700000000 ] - [ 0.0038821200000000, -0.0006289300000000, -0.0000117900000000 ] - [ -0.0000677000000000, 0.0001507900000000, -0.0001615300000000 ] - [ -0.0001620500000000, -0.0000141400000000, 0.0002740800000000 ] - [ 0.0004957700000000, -0.0000943300000000, -0.0001659900000000 ] - [ 0.0020066200000000, -0.0003927500000000, -0.0010838700000000 ] - [ -0.0004592200000000, 0.0006565900000000, 0.0002628500000000 ] - [ -0.0000720700000000, 0.0005892400000000, -0.0002258400000000 ] - [ 0.0011575400000000, -0.0002241900000000, 0.0005834500000000 ] - [ -0.0040603700000000, 0.0027725600000000, 0.0010216900000000 ] - [ 0.0007043900000000, 0.0012569400000000, 0.0004487800000000 ] - [ -0.0004763600000000, 0.0010163500000000, -0.0001019200000000 ] - [ 0.0002544300000000, 0.0013519200000000, -0.0016410500000000 ] - [ -0.0007216300000000, 0.0001050400000000, 0.0001906000000000 ] - [ -0.0001382600000000, 0.0007144200000000, 0.0000914400000000 ] - [ 0.0005892000000000, -0.0001677800000000, 0.0001928700000000 ] - [ -0.0000728200000000, 0.0005539800000000, 0.0005692500000000 ] - [ -0.0000182300000000, 0.0008083600000000, -0.0004502100000000 ] - [ 0.0002781900000000, 0.0001682600000000, -0.0000558000000000 ] - [ -0.0002582900000000, 0.0000911500000000, 0.0003937900000000 ] - [ 0.0003209800000000, 0.0029457400000000, 0.0007375800000000 ] - [ -0.0000107600000000, -0.0002345100000000, 0.0002708800000000 ] - [ -0.0001243200000000, 0.0018233900000000, 0.0002764500000000 ] - [ 0.0005223700000000, 0.0002938200000000, 0.0000705600000000 ] - [ -0.0004277100000000, 0.0009456800000000, -0.0009597600000000 ] - [ -0.0000218200000000, 0.0012563400000000, 0.0000929600000000 ] - [ 0.0012841200000000, -0.0003839400000000, 0.0014937600000000 ] - [ -0.0001333400000000, -0.0007163400000000, -0.0001083900000000 ] - [ -0.0000530100000000, 0.0010288600000000, -0.0003021200000000 ] - [ -0.0002616600000000, -0.0000359700000000, -0.0005728800000000 ] - [ 0.0031833100000000, 0.0113821600000000, -0.0034228100000000 ] - [ 0.0028773700000000, 0.0005885400000000, 0.0007806200000000 ] - [ 0.0001331900000000, 0.0001379400000000, 0.0006184100000000 ] - [ 0.0000827500000000, 0.0001216100000000, 0.0004282200000000 ] - [ 0.0003379800000000, 0.0002018400000000, -0.0011224400000000 ] - [ -0.0014554600000000, -0.0013878000000000, -0.0000804800000000 ] - [ -0.0000371300000000, 0.0004880200000000, -0.0006545900000000 ] - [ -0.0002111000000000, 0.0007739300000000, 0.0000051600000000 ] - [ -0.0013731500000000, 0.0031307300000000, 0.0063827800000000 ] - [ 0.0056577700000000, -0.0036349800000000, 0.0011745300000000 ] - [ 0.0002234200000000, 0.0010630400000000, -0.0001468500000000 ] - [ 0.0006583500000000, -0.0007808500000000, -0.0000342400000000 ] - [ -0.0000420900000000, 0.0004286300000000, -0.0000430200000000 ] - [ 0.0304377200000000, 0.0069020300000000, 0.0057949600000000 ] - [ -0.0000939500000000, 0.0003542400000000, 0.0000048900000000 ] - [ 0.0000797100000000, 0.0003782500000000, -0.0002766400000000 ] - [ -0.0005904300000000, -0.0013619300000000, 0.0001566900000000 ] - [ 0.0008330500000000, -0.0016105800000000, -0.0001669300000000 ] - [ -0.0049720900000000, -0.0049433900000000, -0.0015995300000000 ] - [ -0.0006863300000000, 0.0006592100000000, -0.0002259600000000 ] - [ 0.0009406200000000, -0.0009763000000000, -0.0004378400000000 ] - [ -0.0002705400000000, -0.0002017100000000, 0.0003435200000000 ] - [ 0.0003963800000000, -0.0019374200000000, 0.0084553900000000 ] - [ 0.0026586300000000, 0.0052636100000000, -0.0009900300000000 ] - [ -0.0004652600000000, -0.0022871900000000, -0.0006765400000000 ] - [ 0.0003894300000000, -0.0013166200000000, 0.0000482600000000 ] - [ -0.0015480500000000, -0.0005069100000000, 0.0013537000000000 ] - [ -0.0018191600000000, 0.0010925500000000, -0.0013556800000000 ] - [ 0.0004599800000000, -0.0015672000000000, 0.0000716200000000 ] - [ -0.0000753900000000, -0.0001946100000000, -0.0001895300000000 ] - [ -0.0018001300000000, -0.0026814700000000, -0.0029583500000000 ] - [ 0.0008717300000000, -0.0011362300000000, 0.0002282000000000 ] - [ -0.0001666000000000, 0.0020480900000000, -0.0007704200000000 ] - [ -0.0012451600000000, 0.0015895600000000, 0.0004258000000000 ] - [ -0.0006923600000000, -0.0010691100000000, 0.0001566300000000 ] - [ -0.0003695300000000, -0.0010352200000000, -0.0002902700000000 ] - [ 0.0866795900000000, 0.0800198900000000, 0.0538964800000000 ] - [ -0.0208599000000000, 0.0040627500000000, -0.0025542400000000 ] - [ 0.0004970000000000, -0.0012554800000000, 0.0003846000000000 ] - [ -0.0001548300000000, -0.0009028000000000, -0.0001880500000000 ] - [ 0.0298870500000000, 0.0213592400000000, -0.0113196300000000 ] - [ -0.0004786600000000, -0.0020920000000000, -0.0001402800000000 ] - [ 0.0022980600000000, 0.0030903100000000, 0.0003756700000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001724400000000, -0.0000241100000000, 0.0001590400000000 ] - [ 0.0000480500000000, 0.0010110800000000, -0.0003038700000000 ] - [ 0.0012082000000000, 0.0014365600000000, 0.0007051700000000 ] - [ -0.0002815700000000, -0.0001144300000000, -0.0000841600000000 ] - [ -0.0085466800000000, -0.0012601500000000, -0.0070681400000000 ] - [ 0.0000394300000000, 0.0004120100000000, -0.0000100900000000 ] - [ 0.0000598700000000, 0.0003602300000000, 0.0000267100000000 ] - [ -0.0016223500000000, -0.0008785800000000, -0.0012587300000000 ] - [ 0.1803096700000000, 0.1366014400000000, 0.0541160300000000 ] - [ 0.0006055100000000, -0.0011955000000000, 0.0008172300000000 ] - [ -0.0006497700000000, -0.0012048100000000, -0.0008502300000000 ] - [ -0.0266645000000000, 0.0069369000000000, 0.0153996900000000 ] - [ -0.0000887800000000, 0.0011362500000000, -0.0003091200000000 ] - [ -0.0000928200000000, -0.0004084100000000, -0.0008537100000000 ] - [ 0.0000802200000000, -0.0002217200000000, 0.0009062500000000 ] - [ 0.0003222400000000, 0.0008673000000000, -0.0008685300000000 ] - [ 0.0048757800000000, 0.0007470600000000, 0.0007609300000000 ] - [ -0.0006786300000000, -0.0008500700000000, 0.0001237900000000 ] - [ 0.0006954900000000, -0.0009178500000000, -0.0002058000000000 ] - [ -0.0167290900000000, -0.0133695700000000, -0.0080848100000000 ] - [ 0.0005840500000000, 0.0008720200000000, 0.0002390000000000 ] - [ 0.0003626100000000, -0.0003104200000000, -0.0000035100000000 ] - [ -0.0005333500000000, -0.0001216700000000, 0.0000433700000000 ] - [ 0.0022975400000000, 0.0006664000000000, 0.0026210500000000 ] - [ -0.0036005600000000, 0.0011977000000000, 0.0005737100000000 ] - [ 0.0003256300000000, -0.0007024000000000, -0.0003967800000000 ] - [ -0.0000951500000000, -0.0005429700000000, 0.0002895900000000 ] - [ -0.0007253700000000, 0.0006514200000000, -0.0003964600000000 ] - [ -0.0022552100000000, -0.0001646700000000, 0.0005288800000000 ] - [ 0.0002042100000000, -0.0001070200000000, 0.0002950700000000 ] - [ 0.0003272000000000, -0.0000373700000000, -0.0003344500000000 ] - [ -0.0008903100000000, -0.0003278500000000, -0.0000289100000000 ] - [ 0.0049543700000000, -0.0040704700000000, -0.0012790600000000 ] - [ 0.0002194600000000, -0.0000248100000000, -0.0002027100000000 ] - [ -0.0004424300000000, 0.0002120400000000, -0.0001384200000000 ] - [ -0.0012016900000000, -0.0025902300000000, 0.0018941200000000 ] - [ -0.0002062000000000, 0.0011266900000000, 0.0000570000000000 ] - [ -0.0007828300000000, -0.0019509500000000, -0.0003360800000000 ] - [ 0.0003325500000000, -0.0010665700000000, 0.0000484900000000 ] - [ 0.0009970900000000, 0.0006822500000000, -0.0008207200000000 ] - [ 0.0002129300000000, 0.0000602300000000, 0.0001954100000000 ] - [ -0.0000850900000000, -0.0010591300000000, 0.0003124600000000 ] - [ 0.0000680100000000, -0.0009995600000000, -0.0006539000000000 ] - [ -0.0005206900000000, -0.0020330600000000, -0.0004794800000000 ] - [ -0.0001837800000000, -0.0006674500000000, -0.0000164500000000 ] - [ -0.0000689500000000, -0.0009294600000000, -0.0005315800000000 ] - [ -0.0003308100000000, 0.0005919700000000, 0.0001892300000000 ] - [ 0.0006241700000000, -0.0018399200000000, 0.0007077700000000 ] - [ 0.0002991300000000, -0.0003575800000000, 0.0006335500000000 ] - [ -0.0010009400000000, -0.0005242200000000, -0.0022021400000000 ] - [ -0.0001270100000000, -0.0001951700000000, 0.0008556900000000 ] - [ -0.0002255300000000, -0.0001258500000000, -0.0004285400000000 ] - [ -0.0000152500000000, -0.0008727200000000, -0.0001526900000000 ] - [ -0.0034484800000000, -0.0106440500000000, 0.0041817700000000 ] - [ -0.0026127800000000, 0.0002796700000000, -0.0015346800000000 ] - [ 0.0001438500000000, -0.0010406800000000, 0.0001138100000000 ] - [ 0.0002304700000000, -0.0008210400000000, 0.0000736500000000 ] - [ -0.0000304300000000, 0.0004904200000000, 0.0006104600000000 ] - [ 0.0011620800000000, 0.0020684900000000, 0.0005543000000000 ] - [ -0.0002738100000000, -0.0011766700000000, 0.0001452900000000 ] - [ -0.0001006200000000, -0.0000861400000000, -0.0005137700000000 ] - [ 0.0011140200000000, -0.0038033200000000, -0.0058616700000000 ] - [ -0.0053371000000000, 0.0028976700000000, -0.0016448000000000 ] - [ 0.0000842400000000, -0.0003752300000000, 0.0006529900000000 ] - [ -0.0006498000000000, 0.0007588600000000, 0.0000358300000000 ] - [ 0.0000468600000000, -0.0004018300000000, 0.0000435600000000 ] - [ -0.0309253000000000, -0.0069397500000000, -0.0059423700000000 ] - [ 0.0000963000000000, -0.0003873500000000, -0.0000045100000000 ] - [ -0.0013603700000000, 0.0005295900000000, 0.0000101100000000 ] - [ -0.0006203500000000, 0.0005066100000000, 0.0001045800000000 ] - [ 0.0003844500000000, 0.0007609000000000, -0.0000914000000000 ] - [ 0.0061910100000000, 0.0057973100000000, 0.0018710300000000 ] - [ 0.0018975100000000, -0.0015138300000000, 0.0005200000000000 ] - [ 0.0002730600000000, 0.0018368900000000, 0.0001781600000000 ] - [ -0.0009403100000000, 0.0010727000000000, -0.0000820600000000 ] - [ -0.0016446600000000, 0.0010728100000000, -0.0087578600000000 ] - [ -0.0032203900000000, -0.0042281100000000, 0.0010247200000000 ] - [ -0.0000302300000000, 0.0012610300000000, 0.0006633900000000 ] - [ 0.0001058100000000, 0.0003077600000000, -0.0000464100000000 ] - [ 0.0020490500000000, 0.0015145400000000, -0.0013661500000000 ] - [ 0.0023219400000000, -0.0020972600000000, 0.0013241500000000 ] - [ 0.0000372400000000, 0.0026014700000000, -0.0000633400000000 ] - [ -0.0004196500000000, 0.0012276400000000, 0.0001800600000000 ] - [ 0.0012853100000000, 0.0016357900000000, 0.0029585500000000 ] - [ 0.0002861600000000, 0.0013206700000000, 0.0001087400000000 ] - [ 0.0013215200000000, -0.0022234000000000, 0.0004159900000000 ] - [ 0.0000706500000000, -0.0017874000000000, -0.0000859600000000 ] - [ -0.0004654700000000, 0.0012496100000000, -0.0004860000000000 ] - [ -0.0007889200000000, 0.0008670300000000, -0.0000456500000000 ] - [ -0.0897914200000000, -0.0834059800000000, -0.0560343600000000 ] - [ 0.0220740400000000, -0.0038402900000000, 0.0021997300000000 ] - [ 0.0006643700000000, 0.0010854700000000, -0.0000513300000000 ] - [ 0.0001514300000000, 0.0017849500000000, 0.0001854100000000 ] - [ -0.0291185100000000, -0.0206582800000000, 0.0104857500000000 ] - [ 0.0004775500000000, 0.0012247400000000, 0.0001421600000000 ] - [ -0.0022708100000000, -0.0022248400000000, -0.0003720500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002628400000000, -0.0007898700000000, -0.0003497200000000 ] - [ -0.0015224000000000, -0.0019940700000000, 0.0013121000000000 ] - [ -0.0018281900000000, -0.0019162000000000, -0.0014168800000000 ] - [ 0.0003943600000000, -0.0010599500000000, 0.0002916900000000 ] - [ 0.0012404200000000, 0.0067323100000000, -0.0006952500000000 ] - [ 0.0000411900000000, -0.0011295000000000, 0.0000509500000000 ] - [ -0.0000614700000000, -0.0009869200000000, -0.0000408600000000 ] - [ 0.0001773700000000, 0.0033576200000000, -0.0000695200000000 ] - [ -0.1337484900000000, -0.1892164200000000, -0.0312596200000000 ] - [ -0.0003075500000000, 0.0013940300000000, 0.0009262600000000 ] - [ 0.0003136700000000, 0.0014311500000000, -0.0008749600000000 ] - [ 0.0059942300000000, -0.0111525400000000, -0.0000502200000000 ] - [ -0.0020229300000000, -0.0044522500000000, 0.0007745300000000 ] - [ -0.0012880300000000, 0.0029882200000000, -0.0008436200000000 ] - [ 0.0011047200000000, 0.0024216900000000, 0.0007906200000000 ] - [ 0.0017484600000000, -0.0055503600000000, -0.0010104900000000 ] - [ -0.0032553500000000, 0.0054262400000000, -0.0154578000000000 ] - [ -0.0002031500000000, 0.0009194100000000, -0.0001526200000000 ] - [ -0.0000655400000000, 0.0014103900000000, 0.0004991800000000 ] - [ 0.0145942800000000, 0.0064307900000000, 0.0059155300000000 ] - [ 0.0008130600000000, -0.0022325700000000, 0.0005621800000000 ] - [ 0.0009543700000000, 0.0020346500000000, -0.0002261100000000 ] - [ -0.0008125600000000, 0.0019432200000000, 0.0002925900000000 ] - [ -0.0034556000000000, -0.0013094300000000, -0.0087620500000000 ] - [ -0.0012466600000000, 0.0005039300000000, 0.0015552200000000 ] - [ 0.0003216200000000, 0.0007991900000000, -0.0000452500000000 ] - [ 0.0001648600000000, 0.0005388400000000, 0.0001896000000000 ] - [ -0.0016009300000000, -0.0001544200000000, -0.0008109700000000 ] - [ 0.0020600700000000, -0.0003423500000000, -0.0023551000000000 ] - [ -0.0005224500000000, 0.0014225000000000, 0.0002567500000000 ] - [ -0.0001709800000000, 0.0011480700000000, -0.0001620000000000 ] - [ 0.0023445000000000, -0.0000947500000000, 0.0009589300000000 ] - [ 0.0004145400000000, 0.0227871500000000, 0.0029932400000000 ] - [ 0.0007386600000000, 0.0019790100000000, 0.0006925000000000 ] - [ -0.0007824500000000, 0.0019337600000000, -0.0002699400000000 ] - [ 0.0020225900000000, 0.0001050400000000, -0.0023244000000000 ] - [ -0.0007111100000000, 0.0001563500000000, -0.0004398200000000 ] - [ 0.0001574800000000, 0.0021612300000000, 0.0004371000000000 ] - [ 0.0005803700000000, 0.0006531500000000, 0.0002726200000000 ] - [ -0.0002532800000000, 0.0007050500000000, 0.0005171800000000 ] - [ -0.0001294000000000, 0.0029487800000000, -0.0013213700000000 ] - [ 0.0000417000000000, 0.0006900700000000, -0.0003144500000000 ] - [ -0.0006896200000000, 0.0024361700000000, 0.0018379900000000 ] - [ 0.0003673800000000, 0.0032344800000000, 0.0011814700000000 ] - [ 0.0000450200000000, 0.0005332100000000, 0.0000646600000000 ] - [ -0.0002230700000000, 0.0034227900000000, 0.0004742800000000 ] - [ 0.0008885000000000, 0.0024784500000000, -0.0000349700000000 ] - [ -0.0007324000000000, 0.0028686800000000, -0.0011869800000000 ] - [ -0.0002269800000000, 0.0032226700000000, -0.0003707900000000 ] - [ 0.0002626800000000, -0.0016895900000000, 0.0025033600000000 ] - [ -0.0011241800000000, -0.0011467600000000, -0.0011442500000000 ] - [ 0.0001949400000000, 0.0018359900000000, -0.0001737400000000 ] - [ -0.0003790600000000, 0.0010128100000000, -0.0011673800000000 ] - [ 0.0101592100000000, 0.0161097900000000, -0.0049265500000000 ] - [ 0.0015462400000000, -0.0004451200000000, 0.0006665300000000 ] - [ 0.0002185100000000, 0.0010659100000000, 0.0009560800000000 ] - [ -0.0000614700000000, 0.0012226700000000, 0.0007719000000000 ] - [ 0.0001770200000000, -0.0014079800000000, -0.0015107900000000 ] - [ -0.0015606000000000, -0.0021263300000000, 0.0087614500000000 ] - [ 0.0000766900000000, 0.0013359700000000, -0.0010996000000000 ] - [ -0.0003236500000000, 0.0015898900000000, 0.0004031300000000 ] - [ 0.0030371900000000, 0.0058384000000000, 0.0131944300000000 ] - [ -0.0017373600000000, -0.0011219100000000, -0.0003937200000000 ] - [ 0.0003725700000000, 0.0022179800000000, -0.0007805500000000 ] - [ -0.0004859300000000, -0.0021424000000000, 0.0002342500000000 ] - [ 0.0001659800000000, 0.0011774300000000, -0.0001063800000000 ] - [ 0.0113151200000000, -0.0029505500000000, 0.0027656100000000 ] - [ -0.0001045900000000, 0.0010337300000000, -0.0000226700000000 ] - [ 0.0044219200000000, -0.0035821000000000, 0.0028869400000000 ] - [ -0.0009472200000000, -0.0024635200000000, 0.0000716400000000 ] - [ 0.0005910500000000, -0.0048092900000000, -0.0006384100000000 ] - [ -0.0006769800000000, -0.0031540000000000, -0.0030658400000000 ] - [ -0.0011361500000000, 0.0001607100000000, -0.0003411200000000 ] - [ 0.0010745900000000, -0.0029384000000000, -0.0008046500000000 ] - [ -0.0002956600000000, -0.0025310200000000, 0.0007987500000000 ] - [ -0.0002966000000000, -0.0036915700000000, 0.0136714700000000 ] - [ 0.0079657300000000, -0.0026904700000000, -0.0128609600000000 ] - [ -0.0010227800000000, -0.0039657700000000, -0.0008690000000000 ] - [ 0.0005083500000000, -0.0036177000000000, 0.0007557300000000 ] - [ -0.0000947600000000, 0.0016207900000000, 0.0022422800000000 ] - [ -0.0020871700000000, -0.0011924900000000, 0.0011575000000000 ] - [ 0.0002228100000000, -0.0043095800000000, -0.0000446100000000 ] - [ 0.0001586300000000, -0.0016766300000000, -0.0003090100000000 ] - [ -0.0026926100000000, -0.0052777100000000, -0.0047272000000000 ] - [ 0.0011965900000000, -0.0036688900000000, 0.0003723300000000 ] - [ 0.0015415900000000, 0.0051450200000000, -0.0003454100000000 ] - [ -0.0006396700000000, 0.0072934600000000, -0.0021522400000000 ] - [ -0.0011271600000000, -0.0028598700000000, 0.0003963900000000 ] - [ -0.0000654100000000, -0.0029164600000000, -0.0003531600000000 ] - [ 0.0744467000000000, 0.1006148700000000, 0.0505272800000000 ] - [ -0.0052457800000000, 0.0054973600000000, -0.0040675900000000 ] - [ 0.0002278700000000, -0.0032059000000000, 0.0007558200000000 ] - [ 0.0001547100000000, -0.0031872100000000, -0.0004215300000000 ] - [ 0.0177008000000000, 0.0472550800000000, -0.0160166900000000 ] - [ -0.0005873200000000, -0.0047297300000000, -0.0003956700000000 ] - [ 0.0030289700000000, 0.0066344100000000, 0.0028444500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002627600000000, 0.0002112300000000, 0.0003461600000000 ] - [ 0.0015150300000000, 0.0025757100000000, -0.0013024300000000 ] - [ 0.0018405000000000, 0.0025035400000000, 0.0014296000000000 ] - [ -0.0003969700000000, 0.0004764500000000, -0.0002948100000000 ] - [ -0.0012865500000000, -0.0066829600000000, 0.0006121700000000 ] - [ -0.0000407400000000, 0.0011301400000000, -0.0000513100000000 ] - [ 0.0000611000000000, 0.0009880600000000, 0.0000407300000000 ] - [ -0.0001880300000000, -0.0033646400000000, 0.0000525700000000 ] - [ 0.1363093900000000, 0.1903903800000000, 0.0338672800000000 ] - [ 0.0010730300000000, -0.0024068100000000, 0.0007809700000000 ] - [ -0.0010784800000000, -0.0024431600000000, -0.0008338500000000 ] - [ -0.0068891600000000, 0.0121480200000000, 0.0018349800000000 ] - [ 0.0012579300000000, 0.0034504500000000, 0.0009246700000000 ] - [ 0.0005266800000000, -0.0019832500000000, -0.0008683900000000 ] - [ -0.0003412300000000, -0.0014127000000000, 0.0009175100000000 ] - [ -0.0009847500000000, 0.0045486400000000, -0.0006923500000000 ] - [ 0.0021770200000000, -0.0047744600000000, 0.0152433500000000 ] - [ -0.0008673900000000, -0.0016234600000000, 0.0002591300000000 ] - [ 0.0011330300000000, -0.0021140200000000, -0.0006025700000000 ] - [ -0.0133372600000000, -0.0057088700000000, -0.0057213700000000 ] - [ 0.0002562800000000, 0.0015462700000000, -0.0004482400000000 ] - [ 0.0001127600000000, -0.0013378400000000, 0.0001199400000000 ] - [ -0.0002550400000000, -0.0012461800000000, -0.0001874900000000 ] - [ 0.0023949500000000, 0.0006236900000000, 0.0086945200000000 ] - [ 0.0014918500000000, 0.0000383400000000, -0.0009921300000000 ] - [ -0.0000720300000000, -0.0013495200000000, -0.0005152900000000 ] - [ -0.0004179400000000, -0.0010916000000000, 0.0003718500000000 ] - [ 0.0013435900000000, 0.0006979000000000, 0.0002522800000000 ] - [ -0.0023195100000000, -0.0001999100000000, 0.0018061200000000 ] - [ 0.0002648000000000, -0.0008754300000000, 0.0003046500000000 ] - [ 0.0004232500000000, -0.0005990200000000, -0.0003973100000000 ] - [ -0.0021024400000000, -0.0004515700000000, -0.0003996200000000 ] - [ 0.0005001300000000, -0.0234960000000000, -0.0031977300000000 ] - [ 0.0001869300000000, -0.0007467700000000, -0.0004444800000000 ] - [ -0.0001428300000000, -0.0007036600000000, 0.0000272600000000 ] - [ -0.0029580500000000, -0.0013689200000000, 0.0025721100000000 ] - [ -0.0002154100000000, 0.0010817600000000, 0.0006841500000000 ] - [ -0.0010828600000000, -0.0034033700000000, -0.0006808700000000 ] - [ 0.0003407400000000, -0.0018844800000000, -0.0000311300000000 ] - [ 0.0011853600000000, 0.0005256800000000, -0.0007709100000000 ] - [ 0.0003220700000000, -0.0020725400000000, 0.0010639900000000 ] - [ 0.0001520900000000, -0.0015933400000000, 0.0005753000000000 ] - [ 0.0004890100000000, -0.0033184000000000, -0.0020804600000000 ] - [ -0.0005536900000000, -0.0023524800000000, -0.0009216200000000 ] - [ -0.0002389500000000, -0.0014213900000000, 0.0001939700000000 ] - [ 0.0000276100000000, -0.0025362200000000, -0.0007338700000000 ] - [ -0.0006977500000000, -0.0015818000000000, 0.0002901400000000 ] - [ 0.0009285800000000, -0.0037605800000000, 0.0009372000000000 ] - [ 0.0005017800000000, -0.0023071500000000, 0.0011052100000000 ] - [ 0.0000164900000000, 0.0007755600000000, -0.0032235700000000 ] - [ 0.0008459600000000, 0.0002412600000000, 0.0018778200000000 ] - [ -0.0004724200000000, -0.0009297000000000, -0.0005601300000000 ] - [ 0.0001005200000000, -0.0019203100000000, 0.0004404800000000 ] - [ -0.0106490900000000, -0.0155616900000000, 0.0057563500000000 ] - [ -0.0012689800000000, 0.0013903800000000, -0.0013783700000000 ] - [ 0.0000589000000000, -0.0019722100000000, -0.0002219700000000 ] - [ 0.0003732700000000, -0.0019105000000000, -0.0002645200000000 ] - [ 0.0001335700000000, 0.0020909700000000, 0.0010138300000000 ] - [ 0.0012423300000000, 0.0027799400000000, -0.0082281100000000 ] - [ -0.0003874600000000, -0.0020221100000000, 0.0005906400000000 ] - [ 0.0000141700000000, -0.0009043300000000, -0.0009115600000000 ] - [ -0.0033715700000000, -0.0065512100000000, -0.0128318500000000 ] - [ 0.0020567300000000, 0.0004711300000000, -0.0001408300000000 ] - [ -0.0000599300000000, -0.0015297400000000, 0.0012835700000000 ] - [ 0.0004784000000000, 0.0021126800000000, -0.0002338300000000 ] - [ -0.0001645300000000, -0.0011493500000000, 0.0001047000000000 ] - [ -0.0112953100000000, 0.0030752600000000, -0.0027707400000000 ] - [ 0.0001108000000000, -0.0010651900000000, 0.0000214100000000 ] - [ -0.0056468200000000, 0.0044627400000000, -0.0031499400000000 ] - [ -0.0002660100000000, 0.0016180300000000, 0.0001892100000000 ] - [ 0.0006219100000000, 0.0039445000000000, 0.0003717600000000 ] - [ 0.0019008700000000, 0.0040296600000000, 0.0033352300000000 ] - [ 0.0023526200000000, -0.0010376900000000, 0.0005849900000000 ] - [ 0.0001355200000000, 0.0037979900000000, 0.0005459200000000 ] - [ -0.0009206600000000, 0.0033871600000000, -0.0005407600000000 ] - [ -0.0009297700000000, 0.0028231800000000, -0.0140485500000000 ] - [ -0.0084154900000000, 0.0037566500000000, 0.0128067000000000 ] - [ 0.0005243600000000, 0.0029425700000000, 0.0008574400000000 ] - [ -0.0000127100000000, 0.0026009000000000, -0.0007489500000000 ] - [ 0.0006002900000000, -0.0005756800000000, -0.0022640200000000 ] - [ 0.0026107900000000, 0.0001489200000000, -0.0011554100000000 ] - [ 0.0002694300000000, 0.0053507900000000, 0.0000504300000000 ] - [ -0.0006574900000000, 0.0026961300000000, 0.0003020300000000 ] - [ 0.0022018200000000, 0.0042586100000000, 0.0047359100000000 ] - [ -0.0000383500000000, 0.0038473900000000, -0.0000319400000000 ] - [ -0.0003795400000000, -0.0053187200000000, -0.0000096400000000 ] - [ -0.0005188100000000, -0.0074774200000000, 0.0025077100000000 ] - [ -0.0000326300000000, 0.0030412900000000, -0.0007286200000000 ] - [ -0.0010962500000000, 0.0027431800000000, 0.0000194900000000 ] - [ -0.0793025000000000, -0.1028855100000000, -0.0529129900000000 ] - [ 0.0064184200000000, -0.0054195500000000, 0.0037769100000000 ] - [ 0.0009316500000000, 0.0030308000000000, -0.0004231700000000 ] - [ -0.0001532700000000, 0.0040654200000000, 0.0004182000000000 ] - [ -0.0155950500000000, -0.0460577400000000, 0.0144940700000000 ] - [ 0.0005915000000000, 0.0038593100000000, 0.0003991200000000 ] - [ -0.0030413200000000, -0.0057775200000000, -0.0028440100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001203500000000, -0.0003542300000000, -0.0005630400000000 ] - [ -0.0001531400000000, 0.0002336500000000, 0.0007589200000000 ] - [ 0.0003368400000000, 0.0003203000000000, 0.0007925100000000 ] - [ 0.0000861600000000, -0.0003241200000000, -0.0004707500000000 ] - [ 0.0078865300000000, -0.0016569700000000, 0.0143857000000000 ] - [ 0.0000064000000000, -0.0000366500000000, 0.0000154300000000 ] - [ -0.0000396600000000, -0.0000160600000000, -0.0000325100000000 ] - [ 0.0009332400000000, -0.0004445700000000, -0.0023990100000000 ] - [ -0.0530332600000000, -0.0316528000000000, -0.1514132000000000 ] - [ 0.0003409700000000, -0.0004310500000000, 0.0009960300000000 ] - [ -0.0003718000000000, -0.0004795800000000, -0.0006810000000000 ] - [ -0.0150068000000000, 0.0014500100000000, 0.0040237800000000 ] - [ 0.0007931900000000, -0.0005742900000000, 0.0031336700000000 ] - [ -0.0003732200000000, 0.0005128600000000, -0.0010533600000000 ] - [ 0.0004325500000000, 0.0005697400000000, 0.0007007200000000 ] - [ 0.0003988700000000, -0.0003497900000000, 0.0017806900000000 ] - [ 0.0022324200000000, -0.0154858800000000, 0.0169125900000000 ] - [ -0.0006080700000000, -0.0004507400000000, 0.0002095300000000 ] - [ 0.0004072200000000, -0.0000767900000000, 0.0001591800000000 ] - [ 0.0092932500000000, 0.0057259500000000, 0.0009713200000000 ] - [ 0.0007398900000000, -0.0004868000000000, 0.0016088600000000 ] - [ 0.0006637100000000, 0.0006814600000000, -0.0002783800000000 ] - [ -0.0004826000000000, 0.0002574200000000, -0.0000784100000000 ] - [ 0.0003173000000000, -0.0047719100000000, 0.0078501600000000 ] - [ 0.0000600400000000, 0.0013224900000000, 0.0000607700000000 ] - [ 0.0001456600000000, -0.0000036600000000, -0.0001846000000000 ] - [ -0.0003065800000000, -0.0005119900000000, 0.0004381800000000 ] - [ 0.0013962200000000, -0.0004568900000000, 0.0000669700000000 ] - [ -0.0010462700000000, -0.0007867000000000, -0.0000977200000000 ] - [ -0.0000342500000000, 0.0001015400000000, 0.0001833100000000 ] - [ -0.0000335100000000, 0.0004956500000000, -0.0003161500000000 ] - [ 0.0015967200000000, 0.0002672800000000, 0.0012026500000000 ] - [ 0.0008810000000000, 0.0034443000000000, -0.0042227600000000 ] - [ 0.0006292800000000, 0.0008855400000000, 0.0005376700000000 ] - [ -0.0002266800000000, 0.0003755800000000, 0.0004043300000000 ] - [ -0.0014476600000000, -0.0025008000000000, -0.0009065900000000 ] - [ -0.0000034500000000, 0.0000245600000000, 0.0007491300000000 ] - [ -0.0006564500000000, -0.0009852400000000, -0.0005638600000000 ] - [ 0.0003615700000000, -0.0003766200000000, -0.0002006200000000 ] - [ -0.0005115300000000, 0.0005073900000000, 0.0031793000000000 ] - [ 0.0003252400000000, -0.0022477800000000, 0.0002203500000000 ] - [ 0.0002205100000000, -0.0009809900000000, 0.0004804600000000 ] - [ 0.0000471200000000, 0.0010522000000000, 0.0000244400000000 ] - [ -0.0002386900000000, 0.0019253600000000, 0.0003195800000000 ] - [ 0.0000733900000000, 0.0001350700000000, 0.0002501600000000 ] - [ -0.0001742400000000, 0.0025567300000000, -0.0000647100000000 ] - [ -0.0000890600000000, -0.0001316300000000, -0.0000712100000000 ] - [ 0.0001751700000000, -0.0018266600000000, -0.0001540200000000 ] - [ 0.0001348800000000, 0.0008535200000000, -0.0000929000000000 ] - [ 0.0003582900000000, -0.0003390900000000, 0.0010972000000000 ] - [ 0.0010127300000000, 0.0001614100000000, 0.0051007900000000 ] - [ -0.0001606700000000, 0.0002495200000000, -0.0006692500000000 ] - [ -0.0001337100000000, -0.0006173100000000, -0.0001208400000000 ] - [ -0.0032284400000000, -0.0038007700000000, -0.0028750100000000 ] - [ -0.0000135500000000, 0.0016047200000000, -0.0005278300000000 ] - [ 0.0000933500000000, -0.0001546700000000, 0.0007918900000000 ] - [ 0.0002076700000000, -0.0007883000000000, -0.0000695200000000 ] - [ -0.0002349000000000, 0.0006931500000000, 0.0017832800000000 ] - [ -0.0022350900000000, 0.0044255600000000, 0.0096831200000000 ] - [ -0.0001180300000000, -0.0000089500000000, -0.0005589300000000 ] - [ -0.0001723000000000, 0.0005327200000000, -0.0000255800000000 ] - [ 0.0040832800000000, 0.0103817600000000, 0.0109808100000000 ] - [ 0.0023766100000000, -0.0004251700000000, -0.0025551000000000 ] - [ 0.0001352900000000, 0.0000850200000000, 0.0005176500000000 ] - [ -0.0003830600000000, 0.0000407100000000, 0.0013155500000000 ] - [ -0.0000035400000000, 0.0000437700000000, -0.0001678600000000 ] - [ 0.0040769200000000, 0.0023937800000000, -0.0036246900000000 ] - [ -0.0000412900000000, 0.0000216700000000, 0.0001416700000000 ] - [ -0.0072061000000000, 0.0070171400000000, -0.0025141800000000 ] - [ -0.0004576900000000, 0.0000811300000000, 0.0001950300000000 ] - [ 0.0004653900000000, -0.0014542100000000, 0.0000245400000000 ] - [ 0.0006068300000000, -0.0016685500000000, -0.0007463700000000 ] - [ -0.0002742800000000, -0.0011784100000000, -0.0007649700000000 ] - [ 0.0010231300000000, -0.0007156500000000, -0.0003808800000000 ] - [ -0.0006463100000000, 0.0008759900000000, 0.0000640700000000 ] - [ 0.0017986100000000, 0.0044271500000000, -0.0013578500000000 ] - [ 0.0014818700000000, -0.0074332900000000, 0.0001509600000000 ] - [ -0.0004831400000000, -0.0014610900000000, -0.0004450600000000 ] - [ 0.0000609700000000, 0.0007209200000000, -0.0008998300000000 ] - [ 0.0001386600000000, 0.0017950200000000, -0.0013490100000000 ] - [ 0.0007767700000000, 0.0001807200000000, 0.0001958800000000 ] - [ 0.0003399000000000, 0.0014368200000000, 0.0004011800000000 ] - [ -0.0000636000000000, -0.0000942400000000, 0.0001220700000000 ] - [ -0.0021614600000000, -0.0056610400000000, -0.0050395100000000 ] - [ 0.0007101300000000, -0.0000890100000000, 0.0008538600000000 ] - [ 0.0005758300000000, -0.0006302100000000, -0.0031867300000000 ] - [ 0.0006699400000000, -0.0001820800000000, -0.0069886100000000 ] - [ -0.0005268400000000, 0.0000915800000000, 0.0003733100000000 ] - [ -0.0005909800000000, -0.0000679100000000, -0.0005880700000000 ] - [ 0.0578300700000000, 0.0568667000000000, 0.0664491600000000 ] - [ 0.0010518300000000, -0.0045987900000000, 0.0066030100000000 ] - [ 0.0004961600000000, -0.0002699000000000, -0.0003543300000000 ] - [ -0.0001082000000000, 0.0003769300000000, -0.0006803700000000 ] - [ -0.0156518100000000, -0.0194938400000000, 0.0363752500000000 ] - [ 0.0000661700000000, -0.0004494900000000, 0.0006973700000000 ] - [ -0.0014994500000000, 0.0017806800000000, -0.0059988200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001227700000000, -0.0002313700000000, 0.0005645800000000 ] - [ 0.0001569300000000, 0.0003556300000000, -0.0007649900000000 ] - [ -0.0003363900000000, 0.0002596300000000, -0.0007950900000000 ] - [ -0.0000870400000000, -0.0002576500000000, 0.0004710800000000 ] - [ -0.0071454700000000, 0.0015670400000000, -0.0134889100000000 ] - [ -0.0000064400000000, 0.0000372100000000, -0.0000147100000000 ] - [ 0.0000397100000000, 0.0000173100000000, 0.0000330400000000 ] - [ -0.0009479400000000, 0.0004417700000000, 0.0024000800000000 ] - [ 0.0538127200000000, 0.0334679400000000, 0.1487642800000000 ] - [ 0.0004198400000000, -0.0005772500000000, 0.0007132800000000 ] - [ -0.0003848700000000, -0.0005261800000000, -0.0010315800000000 ] - [ 0.0143913200000000, -0.0004404000000000, -0.0023182000000000 ] - [ -0.0015385800000000, -0.0004212300000000, -0.0014161300000000 ] - [ -0.0003787500000000, 0.0004832000000000, -0.0006610900000000 ] - [ 0.0003264000000000, 0.0004362100000000, 0.0010115800000000 ] - [ 0.0003605300000000, -0.0006586100000000, -0.0034943300000000 ] - [ -0.0033101100000000, 0.0164344100000000, -0.0173173700000000 ] - [ -0.0004589700000000, -0.0002509200000000, -0.0001033300000000 ] - [ 0.0006622100000000, -0.0006262900000000, -0.0002682200000000 ] - [ -0.0082193400000000, -0.0050482700000000, -0.0008822800000000 ] - [ 0.0003290600000000, -0.0002128500000000, -0.0014998000000000 ] - [ 0.0004006800000000, 0.0000137700000000, 0.0001755500000000 ] - [ -0.0005898500000000, 0.0004474400000000, 0.0001869800000000 ] - [ -0.0013796000000000, 0.0040186300000000, -0.0078836200000000 ] - [ 0.0001842900000000, -0.0007729800000000, 0.0004885100000000 ] - [ 0.0000983700000000, -0.0005489900000000, -0.0003770400000000 ] - [ 0.0000590500000000, -0.0000407600000000, 0.0001232600000000 ] - [ -0.0016575700000000, 0.0010091100000000, -0.0006229400000000 ] - [ 0.0007973000000000, 0.0002343000000000, -0.0004715800000000 ] - [ -0.0002101500000000, 0.0004526400000000, 0.0003806700000000 ] - [ 0.0002899400000000, 0.0000544100000000, -0.0002413100000000 ] - [ -0.0013537100000000, -0.0008223200000000, -0.0006446100000000 ] - [ 0.0000497200000000, -0.0047246000000000, 0.0039366100000000 ] - [ 0.0002975700000000, 0.0003427100000000, -0.0002892000000000 ] - [ -0.0006991300000000, 0.0008555000000000, -0.0006553100000000 ] - [ 0.0005193800000000, 0.0012611100000000, 0.0011698400000000 ] - [ -0.0009148700000000, 0.0012054400000000, -0.0005076200000000 ] - [ -0.0002675700000000, -0.0002438400000000, 0.0003194600000000 ] - [ 0.0005631900000000, -0.0008524200000000, 0.0004514200000000 ] - [ 0.0014373500000000, 0.0007157000000000, -0.0034334500000000 ] - [ -0.0001332000000000, 0.0031624900000000, -0.0004761700000000 ] - [ -0.0000309300000000, 0.0000980800000000, -0.0002199400000000 ] - [ -0.0002358400000000, -0.0019339200000000, -0.0002861200000000 ] - [ 0.0000451400000000, -0.0010471900000000, -0.0000659600000000 ] - [ -0.0002643900000000, -0.0010244300000000, 0.0000099900000000 ] - [ -0.0000214200000000, -0.0016791700000000, -0.0001925500000000 ] - [ 0.0002766200000000, 0.0010168000000000, 0.0003311700000000 ] - [ 0.0000143500000000, 0.0009388100000000, -0.0001094900000000 ] - [ 0.0001396000000000, 0.0000633100000000, 0.0008215900000000 ] - [ -0.0000863600000000, -0.0005786600000000, -0.0018340900000000 ] - [ -0.0013019700000000, -0.0010700000000000, -0.0043804500000000 ] - [ -0.0001127400000000, 0.0006632600000000, -0.0000668900000000 ] - [ -0.0001387400000000, -0.0002969300000000, -0.0006193900000000 ] - [ 0.0029534400000000, 0.0046679200000000, 0.0036015500000000 ] - [ 0.0002879500000000, -0.0006796800000000, -0.0001922400000000 ] - [ 0.0001826800000000, -0.0007617700000000, -0.0000667000000000 ] - [ 0.0001072700000000, 0.0001092300000000, 0.0005971300000000 ] - [ 0.0005497100000000, -0.0000137000000000, -0.0023038000000000 ] - [ 0.0019090900000000, -0.0036760300000000, -0.0090586300000000 ] - [ -0.0001956300000000, -0.0006778900000000, 0.0000459600000000 ] - [ -0.0001405000000000, 0.0001527500000000, -0.0004891400000000 ] - [ -0.0044358800000000, -0.0112165000000000, -0.0106294400000000 ] - [ -0.0020736000000000, -0.0002480000000000, 0.0020230800000000 ] - [ 0.0001775100000000, 0.0006002000000000, -0.0000034200000000 ] - [ 0.0003658400000000, -0.0000619600000000, -0.0013184700000000 ] - [ -0.0000108800000000, -0.0000287400000000, 0.0001700700000000 ] - [ -0.0040786200000000, -0.0023484400000000, 0.0036475700000000 ] - [ 0.0000368700000000, -0.0000443100000000, -0.0001430900000000 ] - [ 0.0060237000000000, -0.0061722300000000, 0.0022290600000000 ] - [ -0.0007542700000000, -0.0009347100000000, 0.0000607700000000 ] - [ 0.0007457000000000, 0.0006064400000000, -0.0002770100000000 ] - [ 0.0006296200000000, 0.0025539500000000, 0.0010259100000000 ] - [ 0.0014916400000000, 0.0003192400000000, 0.0010128400000000 ] - [ 0.0001857000000000, 0.0015808600000000, 0.0001217500000000 ] - [ -0.0005663200000000, -0.0000212500000000, 0.0001971000000000 ] - [ -0.0030033300000000, -0.0052735500000000, 0.0011130200000000 ] - [ -0.0019993400000000, 0.0084400400000000, -0.0000936000000000 ] - [ -0.0000111600000000, 0.0004440700000000, 0.0004395700000000 ] - [ 0.0004369700000000, -0.0017556100000000, 0.0009126800000000 ] - [ 0.0003696000000000, -0.0007731700000000, 0.0013333500000000 ] - [ -0.0002770400000000, -0.0012103000000000, -0.0001854600000000 ] - [ 0.0001561100000000, -0.0004131300000000, -0.0003904500000000 ] - [ -0.0004350000000000, 0.0011192000000000, -0.0001326100000000 ] - [ 0.0016787600000000, 0.0046571800000000, 0.0050596000000000 ] - [ 0.0004490000000000, 0.0002725700000000, -0.0005243900000000 ] - [ 0.0005862200000000, 0.0004448300000000, 0.0028477400000000 ] - [ -0.0018237000000000, 0.0000116600000000, 0.0073454900000000 ] - [ -0.0006310100000000, 0.0000916000000000, -0.0007110600000000 ] - [ -0.0005690700000000, -0.0001091400000000, 0.0002555000000000 ] - [ -0.0604128600000000, -0.0581598500000000, -0.0658772900000000 ] - [ 0.0001268500000000, 0.0047540700000000, -0.0069441400000000 ] - [ 0.0006654400000000, 0.0000969600000000, 0.0006898300000000 ] - [ 0.0001084100000000, 0.0005009300000000, 0.0006834000000000 ] - [ 0.0161897500000000, 0.0193226500000000, -0.0362927300000000 ] - [ -0.0000648600000000, -0.0004254600000000, -0.0007030700000000 ] - [ 0.0014871200000000, -0.0009076100000000, 0.0060045600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012307000000000, 0.0007263100000000, -0.0008801000000000 ] - [ 0.0015462800000000, -0.0010892700000000, -0.0000858300000000 ] - [ -0.0001742400000000, 0.0006828500000000, -0.0000636700000000 ] - [ 0.0000924500000000, -0.0001085400000000, -0.0000155900000000 ] - [ 0.0001133300000000, -0.0002026900000000, -0.0008977200000000 ] - [ -0.0000690800000000, 0.0001547200000000, -0.0000314400000000 ] - [ -0.0001057700000000, 0.0003169800000000, 0.0000151300000000 ] - [ 0.0079916200000000, -0.0058441100000000, -0.0019372300000000 ] - [ -0.0050285000000000, -0.0021822000000000, 0.0018861500000000 ] - [ 0.0005229200000000, -0.0008332300000000, 0.0009314800000000 ] - [ -0.0005441900000000, -0.0011063900000000, -0.0007252000000000 ] - [ 0.0171703500000000, -0.0135893900000000, 0.0096569900000000 ] - [ -0.0004386000000000, -0.0002234400000000, 0.0010572000000000 ] - [ -0.0002047700000000, 0.0000821400000000, -0.0009895900000000 ] - [ 0.0003803700000000, 0.0002243200000000, 0.0008048600000000 ] - [ -0.0024403500000000, 0.0024300300000000, 0.0000119200000000 ] - [ -0.1757581300000000, 0.1079729300000000, -0.0968498500000000 ] - [ -0.0005449700000000, -0.0007045300000000, 0.0000345800000000 ] - [ 0.0005395400000000, -0.0005448600000000, 0.0001511800000000 ] - [ 0.0015848800000000, 0.0011176800000000, 0.0030796800000000 ] - [ 0.0005000400000000, -0.0009213600000000, -0.0013055600000000 ] - [ 0.0005159300000000, -0.0000295200000000, -0.0000655800000000 ] - [ -0.0004326700000000, 0.0000287500000000, 0.0000071300000000 ] - [ -0.0003503800000000, -0.0000791700000000, 0.0008453900000000 ] - [ 0.0009374400000000, 0.0004202900000000, 0.0001562800000000 ] - [ -0.0001435800000000, -0.0002080700000000, -0.0001052300000000 ] - [ -0.0010127700000000, -0.0009591900000000, 0.0004882400000000 ] - [ 0.0295391100000000, -0.0080249500000000, 0.0031473500000000 ] - [ 0.0001922300000000, -0.0003285900000000, -0.0000407000000000 ] - [ -0.0001967600000000, 0.0000755500000000, 0.0002985000000000 ] - [ 0.0000290600000000, 0.0000625200000000, -0.0002971300000000 ] - [ 0.0005828300000000, -0.0001467700000000, -0.0000014600000000 ] - [ -0.0044203600000000, 0.0005744300000000, 0.0011632400000000 ] - [ 0.0008223400000000, 0.0006536300000000, 0.0006711500000000 ] - [ 0.0001763500000000, -0.0005845900000000, 0.0006810600000000 ] - [ 0.0240153400000000, 0.0155156000000000, 0.0018426500000000 ] - [ -0.0005730000000000, 0.0004304000000000, 0.0002605400000000 ] - [ -0.0004722100000000, -0.0009536500000000, -0.0001637200000000 ] - [ 0.0005638100000000, -0.0010476300000000, 0.0001717600000000 ] - [ 0.0003230700000000, 0.0008167700000000, -0.0001470600000000 ] - [ -0.0026261900000000, -0.0065454400000000, 0.0010273100000000 ] - [ 0.0025905700000000, -0.0014475500000000, -0.0000940400000000 ] - [ -0.0003629900000000, -0.0003470800000000, 0.0008807000000000 ] - [ 0.0000337000000000, 0.0014684700000000, 0.0009677400000000 ] - [ -0.0001881700000000, -0.0011352500000000, 0.0000488700000000 ] - [ 0.0000465900000000, 0.0000838900000000, -0.0001772800000000 ] - [ 0.0000688500000000, -0.0002783800000000, 0.0001952000000000 ] - [ 0.0001521900000000, -0.0008307500000000, -0.0000962300000000 ] - [ -0.0000187000000000, 0.0004750400000000, 0.0001262200000000 ] - [ 0.0010562000000000, -0.0000898800000000, 0.0000495900000000 ] - [ 0.0031943000000000, -0.0021091300000000, 0.0126443800000000 ] - [ -0.0001863300000000, 0.0008535200000000, -0.0009083400000000 ] - [ -0.0001326100000000, -0.0008080000000000, -0.0001780000000000 ] - [ -0.0003698300000000, -0.0001707700000000, 0.0005840100000000 ] - [ 0.0013551500000000, -0.0014381300000000, -0.0011100500000000 ] - [ 0.0000677600000000, -0.0007672400000000, 0.0002331900000000 ] - [ 0.0002994900000000, -0.0015906000000000, -0.0005102600000000 ] - [ 0.0057066900000000, 0.0009859700000000, -0.0031683600000000 ] - [ -0.0006762600000000, 0.0007579300000000, 0.0025178900000000 ] - [ -0.0001472300000000, -0.0002731600000000, -0.0002333500000000 ] - [ -0.0001103600000000, -0.0000333900000000, -0.0004474200000000 ] - [ -0.0014725500000000, 0.0007435200000000, -0.0006365900000000 ] - [ 0.0009232600000000, -0.0017023100000000, 0.0016647800000000 ] - [ 0.0001134400000000, 0.0000254600000000, 0.0004670700000000 ] - [ 0.0021095900000000, 0.0008641700000000, 0.0005925300000000 ] - [ -0.0002706200000000, -0.0001301000000000, -0.0000983900000000 ] - [ 0.0039905800000000, 0.0009197900000000, -0.0007362300000000 ] - [ -0.0000557200000000, -0.0002529000000000, 0.0000579500000000 ] - [ 0.0844092100000000, -0.0836669400000000, 0.0446507700000000 ] - [ 0.0000144200000000, -0.0003364200000000, 0.0014374000000000 ] - [ 0.0008289700000000, -0.0004192700000000, -0.0003108200000000 ] - [ -0.0014569600000000, -0.0006386500000000, -0.0018718600000000 ] - [ 0.0000805900000000, 0.0004308700000000, 0.0017147900000000 ] - [ 0.0007069300000000, 0.0009951700000000, 0.0000171800000000 ] - [ -0.0004969800000000, 0.0011563200000000, -0.0000292800000000 ] - [ -0.0008351200000000, -0.0001083100000000, -0.0008335800000000 ] - [ 0.0007169100000000, 0.0009502800000000, -0.0018975600000000 ] - [ -0.0002912400000000, -0.0011953800000000, -0.0007566600000000 ] - [ 0.0000368100000000, 0.0033217600000000, -0.0017794900000000 ] - [ -0.0212319900000000, 0.0000567500000000, 0.0037889900000000 ] - [ -0.0002498300000000, 0.0004344300000000, -0.0008297600000000 ] - [ 0.0003637100000000, 0.0011411600000000, -0.0000349100000000 ] - [ -0.0002544700000000, 0.0013598200000000, -0.0000143800000000 ] - [ -0.0005822600000000, -0.0008129600000000, 0.0000872300000000 ] - [ 0.0008834700000000, 0.0008454000000000, 0.0012193300000000 ] - [ -0.0016046500000000, 0.0000893200000000, 0.0008933500000000 ] - [ 0.0006215500000000, -0.0075347600000000, -0.0061380700000000 ] - [ -0.0004038000000000, 0.0002406000000000, -0.0001264200000000 ] - [ -0.0006034200000000, 0.0005860600000000, -0.0001618700000000 ] - [ 0.0025319300000000, -0.0017895900000000, 0.0047632500000000 ] - [ -0.0053847000000000, 0.0038465700000000, -0.0043725200000000 ] - [ 0.0007509200000000, 0.0005776600000000, -0.0000468600000000 ] - [ -0.0006211100000000, 0.0015034400000000, -0.0007383700000000 ] - [ 0.0316484900000000, -0.0002267100000000, 0.0249520200000000 ] - [ -0.0002062200000000, 0.0003695500000000, 0.0000437300000000 ] - [ 0.0015397500000000, -0.0009775800000000, -0.0000483300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012271600000000, -0.0013125200000000, 0.0008856500000000 ] - [ -0.0015281200000000, 0.0016776400000000, 0.0000826500000000 ] - [ 0.0001705200000000, -0.0000993100000000, 0.0000638800000000 ] - [ -0.0000912300000000, -0.0004744200000000, 0.0000149200000000 ] - [ -0.0001028800000000, 0.0002024100000000, 0.0009055500000000 ] - [ 0.0000686800000000, -0.0001544800000000, 0.0000314700000000 ] - [ 0.0001032700000000, -0.0003176800000000, -0.0000174500000000 ] - [ -0.0078448600000000, 0.0055168700000000, 0.0017766100000000 ] - [ 0.0057626400000000, 0.0032491300000000, -0.0036544200000000 ] - [ 0.0002386100000000, -0.0001742500000000, 0.0007767600000000 ] - [ -0.0002203700000000, 0.0000948000000000, -0.0009830600000000 ] - [ -0.0176416400000000, 0.0143413200000000, -0.0078523500000000 ] - [ -0.0003300500000000, -0.0007867700000000, 0.0006492600000000 ] - [ -0.0005517900000000, 0.0009196700000000, -0.0007238100000000 ] - [ 0.0003823000000000, 0.0007832900000000, 0.0009060500000000 ] - [ 0.0032084300000000, -0.0034116700000000, -0.0016862600000000 ] - [ 0.1754250500000000, -0.1109190000000000, 0.0970415200000000 ] - [ -0.0005208200000000, 0.0000095000000000, 0.0000674700000000 ] - [ 0.0005289700000000, -0.0001592000000000, -0.0002569800000000 ] - [ -0.0005391600000000, -0.0004156100000000, -0.0029855400000000 ] - [ 0.0005633600000000, 0.0002188000000000, 0.0014056800000000 ] - [ 0.0005519200000000, 0.0007274700000000, -0.0000387800000000 ] - [ -0.0006302900000000, 0.0006668800000000, 0.0000962500000000 ] - [ -0.0007178400000000, -0.0006144200000000, -0.0009519700000000 ] - [ -0.0006805900000000, 0.0001316600000000, 0.0004045400000000 ] - [ 0.0003849800000000, -0.0003440100000000, -0.0004538900000000 ] - [ 0.0007414200000000, 0.0004057500000000, 0.0000756700000000 ] - [ -0.0302315500000000, 0.0087450000000000, -0.0036940100000000 ] - [ -0.0004419200000000, -0.0002240700000000, -0.0005182000000000 ] - [ -0.0000687700000000, 0.0004757300000000, 0.0002609900000000 ] - [ 0.0002224900000000, 0.0004894400000000, -0.0002648600000000 ] - [ -0.0003225500000000, -0.0004071100000000, 0.0005629200000000 ] - [ 0.0053669100000000, -0.0018515400000000, -0.0015456500000000 ] - [ 0.0001074200000000, 0.0005778900000000, -0.0004215000000000 ] - [ -0.0010956800000000, 0.0018130900000000, -0.0009224300000000 ] - [ -0.0247372400000000, -0.0164680300000000, -0.0014728000000000 ] - [ -0.0003525300000000, 0.0007984800000000, -0.0000145900000000 ] - [ -0.0004493000000000, -0.0002767100000000, -0.0000801200000000 ] - [ 0.0003600200000000, -0.0001857000000000, 0.0000724900000000 ] - [ 0.0005995500000000, 0.0004154500000000, -0.0000979300000000 ] - [ 0.0028610200000000, 0.0074003500000000, -0.0012635400000000 ] - [ -0.0024154700000000, 0.0005975800000000, 0.0003249800000000 ] - [ 0.0001802800000000, -0.0005455300000000, -0.0011465900000000 ] - [ -0.0002317100000000, -0.0005840700000000, -0.0007115400000000 ] - [ -0.0000067400000000, 0.0002386900000000, 0.0002086400000000 ] - [ -0.0002387000000000, 0.0008112400000000, -0.0000786100000000 ] - [ 0.0001267400000000, 0.0011755200000000, 0.0000624000000000 ] - [ 0.0000412500000000, -0.0000622900000000, -0.0001598700000000 ] - [ 0.0002936800000000, 0.0004307700000000, 0.0006033700000000 ] - [ -0.0007810000000000, -0.0008157900000000, -0.0007931000000000 ] - [ -0.0034539000000000, 0.0012565800000000, -0.0120732600000000 ] - [ -0.0000929500000000, 0.0000690100000000, 0.0001847200000000 ] - [ -0.0001450800000000, -0.0001045000000000, -0.0005421700000000 ] - [ 0.0000999600000000, 0.0010787200000000, 0.0001448900000000 ] - [ -0.0010699900000000, 0.0023247900000000, 0.0003690300000000 ] - [ 0.0002088200000000, -0.0001364700000000, 0.0005046600000000 ] - [ 0.0000148400000000, 0.0008925400000000, 0.0010215800000000 ] - [ -0.0053832300000000, -0.0003152700000000, 0.0025890200000000 ] - [ 0.0003758100000000, -0.0000732300000000, -0.0020231500000000 ] - [ -0.0001634600000000, -0.0004091600000000, -0.0002809300000000 ] - [ -0.0002023000000000, 0.0007194300000000, -0.0000659300000000 ] - [ 0.0011811300000000, -0.0013943300000000, 0.0011533500000000 ] - [ -0.0006163100000000, 0.0010014900000000, -0.0021484700000000 ] - [ 0.0001981300000000, 0.0006687700000000, 0.0000303600000000 ] - [ -0.0020989900000000, -0.0008914800000000, -0.0006030300000000 ] - [ 0.0002672000000000, 0.0001524900000000, 0.0000982900000000 ] - [ -0.0039685500000000, -0.0008988700000000, 0.0007525000000000 ] - [ 0.0000710700000000, 0.0002269500000000, -0.0000585100000000 ] - [ -0.0874406300000000, 0.0882689900000000, -0.0468590800000000 ] - [ -0.0012092900000000, -0.0005457000000000, -0.0011786000000000 ] - [ 0.0003837800000000, -0.0004264100000000, 0.0000553400000000 ] - [ 0.0026768300000000, 0.0014997900000000, 0.0021287100000000 ] - [ 0.0011297200000000, -0.0012846500000000, -0.0014419700000000 ] - [ 0.0005074900000000, -0.0001394400000000, -0.0002787700000000 ] - [ -0.0007130300000000, -0.0002979600000000, 0.0002887900000000 ] - [ -0.0003848200000000, -0.0007556800000000, 0.0005780700000000 ] - [ -0.0012815500000000, 0.0000533500000000, 0.0019496600000000 ] - [ -0.0002006900000000, 0.0001681300000000, 0.0007460700000000 ] - [ 0.0004667500000000, -0.0043211200000000, 0.0017550600000000 ] - [ 0.0217739200000000, 0.0009523000000000, -0.0037439400000000 ] - [ 0.0007441600000000, -0.0014494100000000, 0.0008156500000000 ] - [ 0.0001357000000000, -0.0001198100000000, 0.0000444100000000 ] - [ -0.0002417000000000, -0.0003308400000000, 0.0000033700000000 ] - [ 0.0000720700000000, -0.0002138500000000, -0.0000891000000000 ] - [ 0.0002766700000000, -0.0006608400000000, -0.0008784800000000 ] - [ 0.0027652800000000, -0.0002588400000000, -0.0012077500000000 ] - [ -0.0018136700000000, 0.0073826900000000, 0.0065080300000000 ] - [ -0.0007521600000000, -0.0000685400000000, -0.0002129400000000 ] - [ -0.0005559500000000, -0.0007629200000000, -0.0001707900000000 ] - [ -0.0037584000000000, 0.0019335600000000, -0.0044261200000000 ] - [ 0.0065491000000000, -0.0036714100000000, 0.0040162200000000 ] - [ 0.0004069100000000, -0.0007559000000000, 0.0003822900000000 ] - [ 0.0006148000000000, -0.0006261500000000, 0.0007438800000000 ] - [ -0.0308023000000000, -0.0006512300000000, -0.0230756900000000 ] - [ 0.0002031700000000, -0.0012443300000000, -0.0000430800000000 ] - [ -0.0015182000000000, 0.0018484900000000, 0.0000479600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006532300000000, -0.0001737400000000, 0.0007753800000000 ] - [ -0.0009932400000000, -0.0003885700000000, -0.0016553400000000 ] - [ -0.0001375300000000, -0.0008285600000000, 0.0001667900000000 ] - [ 0.0000833500000000, -0.0011247800000000, -0.0001092000000000 ] - [ 0.0009739200000000, 0.0011604800000000, 0.0015977000000000 ] - [ 0.0001066900000000, -0.0006610700000000, -0.0000147500000000 ] - [ 0.0001864900000000, -0.0010633900000000, 0.0000677800000000 ] - [ -0.0056242000000000, 0.0099758400000000, 0.0034144000000000 ] - [ -0.0000660800000000, 0.0056164800000000, -0.0167553500000000 ] - [ -0.0001224700000000, 0.0007738400000000, 0.0007568000000000 ] - [ 0.0001855000000000, 0.0012637400000000, -0.0011333400000000 ] - [ -0.0141560600000000, 0.0065690200000000, -0.0045279900000000 ] - [ -0.0016035900000000, -0.0023982700000000, 0.0007187600000000 ] - [ -0.0010447300000000, 0.0021900300000000, -0.0005177400000000 ] - [ 0.0008445700000000, 0.0020934600000000, 0.0009499100000000 ] - [ 0.0013797500000000, -0.0014596700000000, 0.0035341500000000 ] - [ 0.1111040500000000, -0.1899806100000000, 0.0439403000000000 ] - [ -0.0001772300000000, 0.0007282100000000, -0.0003589600000000 ] - [ 0.0003381900000000, 0.0004339500000000, -0.0002157100000000 ] - [ -0.0002399600000000, -0.0030610600000000, -0.0005678100000000 ] - [ -0.0000312200000000, 0.0001514300000000, 0.0015988900000000 ] - [ 0.0009112300000000, 0.0020715400000000, -0.0003586200000000 ] - [ -0.0008532000000000, 0.0015195500000000, 0.0002775500000000 ] - [ -0.0008028300000000, -0.0002122100000000, -0.0008689900000000 ] - [ -0.0006702000000000, -0.0009350100000000, 0.0005901400000000 ] - [ 0.0003224100000000, -0.0001158900000000, -0.0003725800000000 ] - [ 0.0019149700000000, 0.0012334600000000, -0.0005301100000000 ] - [ -0.0095208200000000, -0.0012985200000000, -0.0021529700000000 ] - [ -0.0000015200000000, 0.0000103600000000, -0.0006815500000000 ] - [ -0.0001557500000000, 0.0010179200000000, 0.0002721700000000 ] - [ 0.0000185400000000, 0.0011703300000000, -0.0002827700000000 ] - [ 0.0009664700000000, 0.0003059500000000, 0.0009897700000000 ] - [ 0.0002300700000000, -0.0016655900000000, 0.0104304100000000 ] - [ 0.0001229800000000, 0.0008421400000000, -0.0004684500000000 ] - [ -0.0019825900000000, 0.0026238400000000, -0.0024168400000000 ] - [ 0.0091326300000000, -0.0012394400000000, 0.0045053400000000 ] - [ -0.0006325500000000, 0.0010044800000000, 0.0002584800000000 ] - [ -0.0002669000000000, 0.0006939400000000, -0.0000045100000000 ] - [ 0.0002603400000000, 0.0007092500000000, -0.0001330200000000 ] - [ 0.0002173100000000, 0.0012341100000000, 0.0007031300000000 ] - [ -0.0028406200000000, 0.0213493600000000, -0.0071180900000000 ] - [ -0.0001050300000000, -0.0004306100000000, -0.0004060000000000 ] - [ -0.0006223200000000, -0.0007412600000000, 0.0000734400000000 ] - [ 0.0002507400000000, -0.0006074300000000, 0.0004326600000000 ] - [ 0.0001537600000000, 0.0015670900000000, 0.0000429600000000 ] - [ -0.0002113100000000, 0.0041536000000000, -0.0000824500000000 ] - [ 0.0002970000000000, 0.0022902500000000, 0.0001567500000000 ] - [ -0.0001334300000000, 0.0013839300000000, -0.0000938700000000 ] - [ 0.0000728700000000, 0.0010562900000000, 0.0011215200000000 ] - [ -0.0003998700000000, -0.0018407400000000, -0.0004106300000000 ] - [ -0.0020965000000000, -0.0046458900000000, -0.0061418600000000 ] - [ 0.0003731100000000, 0.0016131900000000, 0.0004855000000000 ] - [ -0.0002528800000000, 0.0006794400000000, -0.0008064800000000 ] - [ 0.0003572800000000, 0.0024556200000000, -0.0014814500000000 ] - [ -0.0000875200000000, 0.0023191300000000, 0.0004683100000000 ] - [ 0.0002641200000000, 0.0009739900000000, 0.0010446300000000 ] - [ -0.0003186800000000, 0.0036332500000000, 0.0021592900000000 ] - [ -0.0009938000000000, -0.0028409700000000, -0.0020007200000000 ] - [ 0.0002022300000000, -0.0022783200000000, 0.0006701200000000 ] - [ -0.0000621200000000, 0.0001097900000000, -0.0002630500000000 ] - [ -0.0003218600000000, 0.0015950200000000, 0.0003474800000000 ] - [ 0.0021506700000000, 0.0103886700000000, 0.0029248800000000 ] - [ -0.0000421200000000, 0.0009591500000000, -0.0022816100000000 ] - [ 0.0003119900000000, 0.0015364400000000, -0.0003374700000000 ] - [ -0.0002509100000000, -0.0018236300000000, -0.0002314400000000 ] - [ 0.0004082600000000, 0.0008180800000000, 0.0003159500000000 ] - [ 0.0009443100000000, 0.0005607200000000, -0.0009867700000000 ] - [ 0.0000493800000000, 0.0008604500000000, -0.0000834400000000 ] - [ -0.0907031900000000, 0.1256677000000000, -0.0495622600000000 ] - [ -0.0025625500000000, -0.0017848700000000, -0.0003442400000000 ] - [ 0.0006168400000000, -0.0010057600000000, -0.0004259300000000 ] - [ 0.0011644600000000, 0.0034181400000000, -0.0005600600000000 ] - [ 0.0000626300000000, -0.0022763000000000, -0.0011842900000000 ] - [ 0.0009062400000000, -0.0028741600000000, -0.0006123100000000 ] - [ -0.0006322100000000, -0.0018261100000000, 0.0004795500000000 ] - [ -0.0005601100000000, -0.0021650800000000, 0.0018628900000000 ] - [ 0.0021991300000000, 0.0050105800000000, -0.0015094900000000 ] - [ -0.0003850800000000, -0.0006317200000000, 0.0004915000000000 ] - [ 0.0008123300000000, -0.0096874200000000, 0.0065333300000000 ] - [ 0.0027106100000000, 0.0048427500000000, 0.0043838700000000 ] - [ 0.0005203800000000, -0.0023325800000000, 0.0007019500000000 ] - [ -0.0000132600000000, -0.0020293900000000, -0.0001561900000000 ] - [ 0.0001225800000000, -0.0021754900000000, 0.0001963300000000 ] - [ -0.0018150900000000, -0.0049494500000000, -0.0039123800000000 ] - [ 0.0002401400000000, -0.0026737400000000, -0.0023759700000000 ] - [ 0.0015829200000000, 0.0032357200000000, 0.0009820700000000 ] - [ -0.0031683200000000, 0.0083773600000000, 0.0005751100000000 ] - [ -0.0012342100000000, -0.0020245300000000, -0.0007466900000000 ] - [ -0.0003486500000000, -0.0023775800000000, -0.0003527900000000 ] - [ -0.0063150200000000, -0.0087415200000000, 0.0057639200000000 ] - [ 0.0010199400000000, -0.0024316600000000, 0.0024228800000000 ] - [ 0.0001256500000000, -0.0026100100000000, 0.0005479300000000 ] - [ 0.0009392500000000, -0.0026042200000000, 0.0013054600000000 ] - [ 0.0055088200000000, 0.0250232700000000, 0.0077910600000000 ] - [ 0.0000984600000000, -0.0036734000000000, 0.0000683500000000 ] - [ 0.0011405100000000, 0.0014179000000000, -0.0013029700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006458300000000, -0.0004071000000000, -0.0007688300000000 ] - [ 0.0009774000000000, 0.0009892000000000, 0.0016375200000000 ] - [ 0.0001379100000000, 0.0014072100000000, -0.0001674400000000 ] - [ -0.0000837800000000, 0.0005391300000000, 0.0001093500000000 ] - [ -0.0009714400000000, -0.0011605800000000, -0.0015879100000000 ] - [ -0.0001056400000000, 0.0006601000000000, 0.0000139000000000 ] - [ -0.0001836600000000, 0.0010588900000000, -0.0000673100000000 ] - [ 0.0061275600000000, -0.0104270700000000, -0.0038157800000000 ] - [ 0.0008381700000000, -0.0045751900000000, 0.0151723500000000 ] - [ 0.0008813600000000, -0.0017730100000000, 0.0009528000000000 ] - [ -0.0009498600000000, -0.0022631400000000, -0.0005757000000000 ] - [ 0.0134810000000000, -0.0055663000000000, 0.0062375600000000 ] - [ 0.0008331000000000, 0.0013890000000000, 0.0009835100000000 ] - [ 0.0002748100000000, -0.0011754500000000, -0.0011825300000000 ] - [ -0.0000838500000000, -0.0010873200000000, 0.0007577600000000 ] - [ -0.0006118100000000, 0.0004561100000000, -0.0052426800000000 ] - [ -0.1078082000000000, 0.1876532500000000, -0.0406043000000000 ] - [ -0.0008825600000000, -0.0014197800000000, 0.0004622800000000 ] - [ 0.0007261100000000, -0.0011328700000000, 0.0001030200000000 ] - [ 0.0012931800000000, 0.0037584400000000, 0.0006552300000000 ] - [ 0.0011004400000000, -0.0008501100000000, -0.0014877300000000 ] - [ 0.0001508600000000, -0.0013706600000000, 0.0002516100000000 ] - [ -0.0002114800000000, -0.0008185500000000, -0.0001688500000000 ] - [ -0.0002648400000000, -0.0004832600000000, 0.0007557700000000 ] - [ 0.0009247000000000, 0.0014892100000000, -0.0000349400000000 ] - [ -0.0000787400000000, -0.0004456100000000, -0.0001826100000000 ] - [ -0.0021395700000000, -0.0017772900000000, 0.0010721000000000 ] - [ 0.0091099700000000, 0.0018412400000000, 0.0016272100000000 ] - [ -0.0002444800000000, -0.0005633700000000, 0.0001225700000000 ] - [ -0.0000944600000000, -0.0004584200000000, 0.0002801000000000 ] - [ 0.0002277900000000, -0.0006099900000000, -0.0002707500000000 ] - [ -0.0007213300000000, -0.0008607500000000, -0.0004348100000000 ] - [ 0.0007330500000000, 0.0003840800000000, -0.0106864100000000 ] - [ 0.0008040900000000, 0.0003756300000000, 0.0007206600000000 ] - [ 0.0010348000000000, -0.0013802700000000, 0.0021343400000000 ] - [ -0.0100643800000000, -0.0000667000000000, -0.0041907200000000 ] - [ -0.0002961300000000, 0.0002262200000000, -0.0000073400000000 ] - [ -0.0006605200000000, -0.0019108800000000, -0.0002482000000000 ] - [ 0.0006711900000000, -0.0019280100000000, 0.0003902400000000 ] - [ 0.0007141900000000, -0.0000048100000000, -0.0009610300000000 ] - [ 0.0029841100000000, -0.0199779300000000, 0.0067853200000000 ] - [ 0.0002901900000000, -0.0004817700000000, 0.0006707000000000 ] - [ 0.0004369400000000, -0.0001644400000000, -0.0003448800000000 ] - [ -0.0004431400000000, 0.0014713100000000, -0.0001903400000000 ] - [ -0.0003428000000000, -0.0024412100000000, 0.0002096700000000 ] - [ 0.0000179500000000, -0.0032688800000000, -0.0001706300000000 ] - [ -0.0001039600000000, -0.0013918000000000, 0.0000954100000000 ] - [ 0.0003224200000000, -0.0022604300000000, -0.0001592100000000 ] - [ 0.0001983300000000, -0.0001589700000000, -0.0003790900000000 ] - [ 0.0006661800000000, 0.0009336600000000, -0.0003296600000000 ] - [ 0.0017738800000000, 0.0037387100000000, 0.0066933200000000 ] - [ -0.0006373000000000, -0.0007051000000000, -0.0011992800000000 ] - [ -0.0000153200000000, -0.0015907600000000, 0.0000821700000000 ] - [ -0.0006226800000000, -0.0015357900000000, 0.0022122400000000 ] - [ 0.0003538300000000, -0.0014011400000000, -0.0011954200000000 ] - [ 0.0000063600000000, -0.0018761800000000, -0.0003152000000000 ] - [ 0.0006173800000000, -0.0042784200000000, -0.0016252800000000 ] - [ 0.0012652200000000, 0.0035261800000000, 0.0015140500000000 ] - [ -0.0005075800000000, 0.0029635800000000, -0.0001738500000000 ] - [ -0.0002442400000000, -0.0007956600000000, -0.0002594400000000 ] - [ 0.0000109500000000, -0.0009097100000000, -0.0008779900000000 ] - [ -0.0024832300000000, -0.0112407800000000, -0.0024287000000000 ] - [ 0.0003480300000000, -0.0016390300000000, 0.0017581100000000 ] - [ -0.0000074400000000, -0.0008442100000000, 0.0008467700000000 ] - [ 0.0002486200000000, 0.0017899500000000, 0.0002271300000000 ] - [ -0.0003926500000000, -0.0007932000000000, -0.0003127500000000 ] - [ -0.0009451000000000, -0.0005348200000000, 0.0009930900000000 ] - [ -0.0000335600000000, -0.0008758000000000, 0.0000824700000000 ] - [ 0.0848845300000000, -0.1213397300000000, 0.0465231000000000 ] - [ 0.0013243200000000, 0.0009405600000000, 0.0005919100000000 ] - [ 0.0005973600000000, 0.0001654400000000, 0.0001652200000000 ] - [ 0.0000577400000000, -0.0025421600000000, 0.0008346800000000 ] - [ 0.0011502600000000, 0.0014049800000000, 0.0014372000000000 ] - [ 0.0003019500000000, 0.0037248600000000, 0.0003538700000000 ] - [ -0.0005805500000000, 0.0026731900000000, -0.0002201600000000 ] - [ -0.0006540100000000, 0.0012952300000000, -0.0021164600000000 ] - [ -0.0027312500000000, -0.0039887000000000, 0.0015787600000000 ] - [ -0.0001113400000000, -0.0003780000000000, -0.0004928400000000 ] - [ -0.0003064900000000, 0.0085838700000000, -0.0064602900000000 ] - [ -0.0021271200000000, -0.0038077700000000, -0.0044384000000000 ] - [ -0.0000203800000000, 0.0013005000000000, -0.0007067900000000 ] - [ 0.0005095200000000, 0.0030434400000000, 0.0001644500000000 ] - [ -0.0006191500000000, 0.0031949400000000, -0.0002033000000000 ] - [ 0.0013172200000000, 0.0039114500000000, 0.0039335700000000 ] - [ 0.0009085100000000, 0.0028422500000000, 0.0026823600000000 ] - [ -0.0004114300000000, -0.0034182000000000, -0.0013345400000000 ] - [ 0.0019919900000000, -0.0084986100000000, -0.0002075400000000 ] - [ 0.0000724500000000, 0.0022023500000000, 0.0004082500000000 ] - [ -0.0008096600000000, 0.0021901600000000, 0.0000196400000000 ] - [ 0.0051364200000000, 0.0089018800000000, -0.0054622900000000 ] - [ 0.0001746700000000, 0.0025739100000000, -0.0027467300000000 ] - [ 0.0010287600000000, 0.0024244400000000, -0.0002097400000000 ] - [ -0.0009265300000000, 0.0034655700000000, -0.0012893700000000 ] - [ -0.0056260200000000, -0.0260689900000000, -0.0080012800000000 ] - [ -0.0000944200000000, 0.0027884400000000, -0.0000702900000000 ] - [ -0.0011378700000000, -0.0005539100000000, 0.0013042900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015549000000000, 0.0018302300000000, -0.0015892900000000 ] - [ -0.0001282200000000, -0.0015626300000000, 0.0014656800000000 ] - [ 0.0000673700000000, 0.0008030300000000, 0.0001529600000000 ] - [ 0.0000580000000000, -0.0003121600000000, -0.0001422700000000 ] - [ -0.0011961900000000, -0.0001237700000000, -0.0029440400000000 ] - [ -0.0000237500000000, 0.0000533100000000, -0.0000370300000000 ] - [ -0.0000854400000000, 0.0002908200000000, 0.0000331200000000 ] - [ -0.0017176600000000, 0.0024349700000000, 0.0081570900000000 ] - [ -0.0003778500000000, -0.0150047200000000, 0.0164383600000000 ] - [ 0.0004544500000000, -0.0007131800000000, 0.0010113500000000 ] - [ -0.0005341800000000, -0.0010541800000000, -0.0006394600000000 ] - [ 0.0078863500000000, -0.0053434900000000, 0.0017632000000000 ] - [ -0.0005698400000000, 0.0000056800000000, 0.0024099600000000 ] - [ -0.0003335200000000, 0.0003310500000000, -0.0010858300000000 ] - [ 0.0003771800000000, 0.0002641200000000, 0.0007208000000000 ] - [ -0.0022989300000000, 0.0081772000000000, 0.0069683600000000 ] - [ -0.0987176100000000, 0.0422796000000000, -0.1560173800000000 ] - [ -0.0005142600000000, -0.0007605900000000, 0.0001297200000000 ] - [ 0.0003271900000000, -0.0001910100000000, 0.0004501200000000 ] - [ 0.0035624600000000, 0.0009640100000000, 0.0034577800000000 ] - [ -0.0008214200000000, 0.0011906400000000, -0.0009566200000000 ] - [ 0.0005456800000000, 0.0000436000000000, -0.0001375800000000 ] - [ -0.0004856800000000, 0.0001238200000000, 0.0000181000000000 ] - [ 0.0003677800000000, 0.0004599100000000, 0.0035606800000000 ] - [ -0.0013499900000000, 0.0005330700000000, 0.0015439900000000 ] - [ 0.0001758800000000, -0.0000328900000000, 0.0000417900000000 ] - [ -0.0007792400000000, -0.0009512000000000, 0.0003453000000000 ] - [ 0.0078227500000000, -0.0018943100000000, -0.0046499700000000 ] - [ -0.0000751100000000, -0.0002390000000000, 0.0004036400000000 ] - [ -0.0001515600000000, 0.0001040000000000, 0.0003125900000000 ] - [ 0.0001219700000000, 0.0001637000000000, -0.0003594200000000 ] - [ 0.0000045000000000, 0.0000475900000000, -0.0003002100000000 ] - [ -0.0026689900000000, 0.0098887400000000, 0.0195190100000000 ] - [ 0.0008356500000000, 0.0006351000000000, 0.0009534000000000 ] - [ 0.0001843800000000, -0.0009369400000000, 0.0009048400000000 ] - [ 0.0110411500000000, 0.0060331300000000, -0.0065132200000000 ] - [ -0.0006610300000000, 0.0008615400000000, 0.0007957600000000 ] - [ -0.0005099300000000, -0.0010025600000000, -0.0002034000000000 ] - [ 0.0004588900000000, -0.0009019200000000, 0.0000267600000000 ] - [ 0.0006823300000000, 0.0018041900000000, -0.0005256800000000 ] - [ 0.0000690000000000, -0.0064466700000000, -0.0023450600000000 ] - [ 0.0010615400000000, -0.0012164500000000, -0.0009552000000000 ] - [ -0.0013814000000000, 0.0011122200000000, 0.0030100800000000 ] - [ 0.0004748600000000, 0.0016746300000000, 0.0011191000000000 ] - [ -0.0001978500000000, -0.0004093300000000, -0.0001652600000000 ] - [ -0.0000251600000000, 0.0000956000000000, -0.0004521400000000 ] - [ -0.0000039900000000, -0.0001811600000000, 0.0003203200000000 ] - [ 0.0002450500000000, -0.0008169700000000, 0.0001666100000000 ] - [ -0.0000452500000000, 0.0013529700000000, -0.0002174800000000 ] - [ 0.0010005800000000, -0.0011823900000000, 0.0029500900000000 ] - [ 0.0101458300000000, -0.0049791600000000, 0.0173207200000000 ] - [ -0.0001722900000000, 0.0004480000000000, -0.0011448500000000 ] - [ -0.0001408100000000, -0.0006936200000000, -0.0001324700000000 ] - [ -0.0009570200000000, -0.0018926000000000, 0.0015232400000000 ] - [ 0.0003353700000000, -0.0011722800000000, -0.0019023600000000 ] - [ 0.0001011700000000, -0.0006210900000000, 0.0002764500000000 ] - [ 0.0002883400000000, -0.0018754100000000, -0.0007886600000000 ] - [ -0.0026001100000000, 0.0000643500000000, 0.0001269200000000 ] - [ -0.0011839200000000, -0.0011470900000000, 0.0073951300000000 ] - [ -0.0001321900000000, -0.0001076200000000, -0.0004025500000000 ] - [ -0.0001261200000000, 0.0001526200000000, -0.0003436000000000 ] - [ -0.0005474600000000, -0.0014117700000000, -0.0040655600000000 ] - [ 0.0005670100000000, -0.0016107200000000, 0.0013906400000000 ] - [ 0.0001249400000000, 0.0000853500000000, 0.0005134500000000 ] - [ 0.0019727900000000, 0.0013942300000000, 0.0018926800000000 ] - [ -0.0001012000000000, -0.0000327200000000, -0.0002476300000000 ] - [ -0.0012137800000000, -0.0010274000000000, -0.0005672400000000 ] - [ -0.0000583900000000, -0.0001779700000000, 0.0001061200000000 ] - [ 0.0403356700000000, -0.0425506000000000, 0.0474947700000000 ] - [ -0.0000471100000000, 0.0003501200000000, 0.0011043000000000 ] - [ 0.0005615300000000, -0.0022178000000000, -0.0007966000000000 ] - [ -0.0004261300000000, -0.0009252300000000, -0.0038671300000000 ] - [ 0.0010992900000000, -0.0010463000000000, 0.0024951100000000 ] - [ 0.0005798900000000, 0.0008323700000000, 0.0000899200000000 ] - [ -0.0005259200000000, 0.0009989700000000, -0.0001001700000000 ] - [ -0.0009487400000000, 0.0000947200000000, -0.0028966300000000 ] - [ 0.0066488900000000, 0.0025025100000000, -0.0111372200000000 ] - [ -0.0006033000000000, -0.0015224900000000, -0.0010870300000000 ] - [ 0.0003512900000000, 0.0039304500000000, -0.0018271500000000 ] - [ -0.0051281600000000, 0.0033364300000000, 0.0071489600000000 ] - [ 0.0002079800000000, 0.0003623900000000, -0.0017664700000000 ] - [ 0.0003012400000000, 0.0011641800000000, -0.0001176400000000 ] - [ -0.0002194400000000, 0.0008784300000000, 0.0002472400000000 ] - [ -0.0002973000000000, -0.0009183100000000, 0.0020925600000000 ] - [ 0.0009311000000000, 0.0002545100000000, 0.0018514000000000 ] - [ -0.0013898900000000, -0.0002578500000000, -0.0035477100000000 ] - [ -0.0009362600000000, -0.0085468600000000, -0.0138534500000000 ] - [ -0.0004672300000000, 0.0003010300000000, 0.0002804000000000 ] - [ -0.0006166100000000, 0.0003865300000000, -0.0003083000000000 ] - [ 0.0062363200000000, 0.0102718200000000, 0.0063907200000000 ] - [ -0.0007879100000000, 0.0035257200000000, -0.0018547900000000 ] - [ 0.0007158000000000, 0.0003695100000000, -0.0001968700000000 ] - [ -0.0005453100000000, 0.0014638100000000, -0.0012662800000000 ] - [ 0.0254674800000000, 0.0039046700000000, 0.0583363400000000 ] - [ -0.0000296600000000, 0.0001499600000000, 0.0002381300000000 ] - [ 0.0026142700000000, -0.0047687700000000, -0.0030108200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015623000000000, -0.0024214900000000, 0.0015806300000000 ] - [ 0.0001204200000000, 0.0021462400000000, -0.0014440600000000 ] - [ -0.0000669200000000, -0.0002176700000000, -0.0001502700000000 ] - [ -0.0000581800000000, -0.0002680000000000, 0.0001403500000000 ] - [ 0.0011903500000000, 0.0001233300000000, 0.0029408500000000 ] - [ 0.0000241200000000, -0.0000529400000000, 0.0000375900000000 ] - [ 0.0000848600000000, -0.0002870800000000, -0.0000348300000000 ] - [ 0.0018541600000000, -0.0026222400000000, -0.0081538200000000 ] - [ 0.0011135200000000, 0.0156947600000000, -0.0177910900000000 ] - [ 0.0003073800000000, -0.0002947000000000, 0.0007005300000000 ] - [ -0.0002311200000000, 0.0000424600000000, -0.0010682000000000 ] - [ -0.0085536700000000, 0.0062897100000000, -0.0000893200000000 ] - [ -0.0001839200000000, -0.0010050500000000, -0.0006963200000000 ] - [ -0.0004262500000000, 0.0006715700000000, -0.0006292500000000 ] - [ 0.0003866800000000, 0.0007406700000000, 0.0009849600000000 ] - [ 0.0030800100000000, -0.0092753700000000, -0.0087674800000000 ] - [ 0.0951898400000000, -0.0422238900000000, 0.1519691500000000 ] - [ -0.0005553000000000, 0.0000581900000000, -0.0000193600000000 ] - [ 0.0007374500000000, -0.0005062700000000, -0.0005530300000000 ] - [ -0.0024997700000000, -0.0002599300000000, -0.0033758100000000 ] - [ 0.0018923200000000, -0.0018939900000000, 0.0010694800000000 ] - [ 0.0005216900000000, 0.0006551000000000, 0.0000326100000000 ] - [ -0.0005745000000000, 0.0005667200000000, 0.0000825900000000 ] - [ -0.0014360900000000, -0.0011678100000000, -0.0036688200000000 ] - [ 0.0015833500000000, 0.0000238500000000, -0.0009887100000000 ] - [ 0.0000747300000000, -0.0005179200000000, -0.0006015700000000 ] - [ 0.0005186500000000, 0.0003898700000000, 0.0002187200000000 ] - [ -0.0079124900000000, 0.0024058800000000, 0.0041556100000000 ] - [ -0.0001754500000000, -0.0003153300000000, -0.0009606400000000 ] - [ -0.0001174200000000, 0.0004474800000000, 0.0002445900000000 ] - [ 0.0001288000000000, 0.0003908400000000, -0.0002042200000000 ] - [ 0.0002466200000000, -0.0006042200000000, 0.0008663100000000 ] - [ 0.0035554200000000, -0.0108537200000000, -0.0194629200000000 ] - [ 0.0000909600000000, 0.0005959000000000, -0.0006978500000000 ] - [ -0.0011010500000000, 0.0021614700000000, -0.0011357700000000 ] - [ -0.0119525400000000, -0.0072340200000000, 0.0066653000000000 ] - [ -0.0002664100000000, 0.0003664200000000, -0.0005463400000000 ] - [ -0.0004119500000000, -0.0002320500000000, -0.0000413300000000 ] - [ 0.0004647400000000, -0.0003306800000000, 0.0002190100000000 ] - [ 0.0002360900000000, -0.0005844000000000, 0.0002882100000000 ] - [ 0.0001297200000000, 0.0072558700000000, 0.0021576700000000 ] - [ -0.0008592600000000, 0.0003064800000000, 0.0012242400000000 ] - [ 0.0011783300000000, -0.0019712400000000, -0.0032446400000000 ] - [ -0.0006642100000000, -0.0007819200000000, -0.0008691200000000 ] - [ 0.0000078100000000, -0.0004799400000000, 0.0004257200000000 ] - [ -0.0001646700000000, 0.0007952100000000, 0.0001940800000000 ] - [ 0.0001976300000000, 0.0010724500000000, -0.0000677800000000 ] - [ -0.0000510400000000, -0.0000888700000000, -0.0004262100000000 ] - [ 0.0003185400000000, -0.0004324200000000, 0.0009370200000000 ] - [ -0.0007320900000000, 0.0002746500000000, -0.0036788700000000 ] - [ -0.0105759700000000, 0.0041912900000000, -0.0168303800000000 ] - [ -0.0001025300000000, 0.0004523400000000, 0.0004111000000000 ] - [ -0.0001332000000000, -0.0002217700000000, -0.0005836700000000 ] - [ 0.0006729400000000, 0.0027812100000000, -0.0007932700000000 ] - [ -0.0000589600000000, 0.0020748800000000, 0.0011631900000000 ] - [ 0.0001721600000000, -0.0002879300000000, 0.0004588800000000 ] - [ 0.0000240600000000, 0.0011723800000000, 0.0012926300000000 ] - [ 0.0029353900000000, 0.0006362500000000, -0.0006118400000000 ] - [ 0.0008721900000000, 0.0018273300000000, -0.0068753200000000 ] - [ -0.0001762500000000, -0.0005785500000000, -0.0001118800000000 ] - [ -0.0001845700000000, 0.0005322800000000, -0.0001702300000000 ] - [ 0.0002438400000000, 0.0007654000000000, 0.0045626200000000 ] - [ -0.0002530300000000, 0.0009247700000000, -0.0019099500000000 ] - [ 0.0001861800000000, 0.0006053200000000, -0.0000083200000000 ] - [ -0.0019849200000000, -0.0014220800000000, -0.0018917500000000 ] - [ 0.0000972900000000, 0.0000534800000000, 0.0002442000000000 ] - [ 0.0012100600000000, 0.0010619400000000, 0.0005565300000000 ] - [ 0.0000656200000000, 0.0001513400000000, -0.0001067000000000 ] - [ -0.0421521500000000, 0.0441607000000000, -0.0473994600000000 ] - [ -0.0011606600000000, -0.0011911300000000, -0.0008426600000000 ] - [ 0.0006450600000000, 0.0013323500000000, 0.0005382700000000 ] - [ 0.0016453000000000, 0.0017780100000000, 0.0041397400000000 ] - [ 0.0001129200000000, 0.0001922500000000, -0.0022314800000000 ] - [ 0.0006337300000000, 0.0000281600000000, -0.0003506200000000 ] - [ -0.0006859800000000, -0.0001353000000000, 0.0003593800000000 ] - [ -0.0002596200000000, -0.0009395300000000, 0.0026280700000000 ] - [ -0.0070983000000000, -0.0014680100000000, 0.0111188400000000 ] - [ 0.0001035300000000, 0.0004913600000000, 0.0010757200000000 ] - [ 0.0001407900000000, -0.0049107100000000, 0.0017931700000000 ] - [ 0.0055801700000000, -0.0023180400000000, -0.0072364000000000 ] - [ 0.0002915100000000, -0.0013769900000000, 0.0017554200000000 ] - [ 0.0001979600000000, -0.0001328500000000, 0.0001296500000000 ] - [ -0.0002792300000000, 0.0001535100000000, -0.0002591600000000 ] - [ -0.0002033600000000, -0.0001058200000000, -0.0021040600000000 ] - [ 0.0002309000000000, -0.0000719800000000, -0.0014977100000000 ] - [ 0.0025624900000000, 0.0000698200000000, 0.0031792400000000 ] - [ -0.0002089000000000, 0.0084026700000000, 0.0142335400000000 ] - [ -0.0006900300000000, -0.0001143900000000, -0.0006053600000000 ] - [ -0.0005449400000000, -0.0005568500000000, -0.0000288200000000 ] - [ -0.0073594200000000, -0.0100935100000000, -0.0059625100000000 ] - [ 0.0019470900000000, -0.0033579200000000, 0.0015147100000000 ] - [ 0.0004436300000000, -0.0005418200000000, 0.0005248800000000 ] - [ 0.0005463500000000, -0.0005810400000000, 0.0012537600000000 ] - [ -0.0226504900000000, -0.0046238600000000, -0.0550593500000000 ] - [ 0.0000295300000000, -0.0010197500000000, -0.0002351800000000 ] - [ -0.0026303600000000, 0.0056588900000000, 0.0030049600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028330000000000, 0.0006361400000000, -0.0002611400000000 ] - [ -0.0032272500000000, -0.0018369600000000, -0.0002293900000000 ] - [ 0.0001128000000000, 0.0002560400000000, 0.0000048800000000 ] - [ -0.0001126800000000, -0.0002885500000000, 0.0000355000000000 ] - [ -0.0033545100000000, -0.0009677100000000, 0.0020068600000000 ] - [ 0.0004853900000000, -0.0000427200000000, 0.0002471100000000 ] - [ 0.0001781700000000, -0.0000286600000000, -0.0000455900000000 ] - [ -0.0009842500000000, 0.0000198000000000, -0.0003805500000000 ] - [ 0.0041176000000000, -0.0008829200000000, -0.0009149900000000 ] - [ 0.0001777100000000, -0.0007017400000000, 0.0008304100000000 ] - [ -0.0004140800000000, -0.0002155400000000, -0.0006720200000000 ] - [ 0.0002362800000000, 0.0019695900000000, 0.0023762400000000 ] - [ 0.0017615900000000, 0.0016924900000000, -0.0000651000000000 ] - [ -0.0007091700000000, 0.0008903800000000, -0.0009435200000000 ] - [ 0.0001782800000000, 0.0002067500000000, 0.0010166700000000 ] - [ 0.0014053700000000, -0.0027249500000000, 0.0006295000000000 ] - [ 0.0002708500000000, -0.0004485300000000, -0.0015272200000000 ] - [ -0.0008008700000000, -0.0005528900000000, 0.0000024900000000 ] - [ -0.0003498800000000, 0.0016756600000000, 0.0005893200000000 ] - [ 0.0301750300000000, 0.0095422500000000, 0.0079114400000000 ] - [ 0.0008572800000000, -0.0002351300000000, 0.0001007100000000 ] - [ 0.0004714400000000, 0.0003858100000000, -0.0000316500000000 ] - [ -0.0006229800000000, 0.0002395200000000, 0.0000562000000000 ] - [ -0.0000823900000000, -0.0012012900000000, -0.0001776600000000 ] - [ -0.4095201700000000, -0.0128874600000000, 0.0011195500000000 ] - [ 0.0059019600000000, -0.0010747200000000, -0.0017582000000000 ] - [ 0.0006603100000000, -0.0001692100000000, 0.0002861900000000 ] - [ -0.0029059500000000, 0.0001888800000000, -0.0001074800000000 ] - [ -0.0005996800000000, -0.0002548200000000, -0.0003595300000000 ] - [ 0.0000071100000000, 0.0002895500000000, 0.0002581200000000 ] - [ 0.0002025000000000, 0.0002843000000000, -0.0002676600000000 ] - [ -0.0001119800000000, -0.0003035500000000, 0.0003439600000000 ] - [ 0.0305821800000000, -0.0025568700000000, -0.0115793100000000 ] - [ -0.0015983700000000, -0.0012208400000000, -0.0016224500000000 ] - [ -0.0011067500000000, 0.0012798800000000, 0.0003394500000000 ] - [ 0.0033693400000000, -0.0013084900000000, 0.0006451900000000 ] - [ -0.0002487800000000, 0.0008893300000000, 0.0000083300000000 ] - [ -0.0005202800000000, -0.0005785600000000, -0.0001408400000000 ] - [ 0.0004280400000000, -0.0006238700000000, 0.0001443200000000 ] - [ 0.0005311500000000, 0.0002115400000000, -0.0000419400000000 ] - [ 0.0002529200000000, 0.0012405200000000, -0.0007693400000000 ] - [ -0.0001093700000000, -0.0009162400000000, -0.0003490100000000 ] - [ 0.0064574300000000, 0.0180782800000000, 0.0080481200000000 ] - [ 0.0126339800000000, -0.0186807400000000, -0.0040843000000000 ] - [ -0.0000669400000000, -0.0003716700000000, 0.0001628400000000 ] - [ -0.0001394800000000, 0.0003775200000000, -0.0000856000000000 ] - [ 0.0000608000000000, 0.0007431600000000, 0.0000968600000000 ] - [ 0.0000837500000000, -0.0006013200000000, -0.0001810500000000 ] - [ 0.0011335300000000, 0.0023196700000000, -0.0008090200000000 ] - [ 0.0034009300000000, 0.0044122100000000, -0.0193996800000000 ] - [ -0.0014119100000000, 0.0001246300000000, 0.0025893400000000 ] - [ 0.0001579500000000, 0.0001489500000000, 0.0002105200000000 ] - [ -0.0000876400000000, -0.0004235000000000, -0.0004055400000000 ] - [ -0.0004283900000000, 0.0003914000000000, 0.0002723300000000 ] - [ -0.0001007700000000, 0.0007401100000000, -0.0001060600000000 ] - [ 0.0001891400000000, -0.0004225600000000, 0.0004025200000000 ] - [ 0.0001453500000000, 0.0000369800000000, 0.0002441400000000 ] - [ 0.0003651000000000, 0.0008968400000000, -0.0029879600000000 ] - [ 0.0094105500000000, -0.0084663400000000, 0.0179272700000000 ] - [ -0.0004517100000000, -0.0025776300000000, 0.0004615600000000 ] - [ -0.0001487400000000, 0.0003420900000000, -0.0002456000000000 ] - [ -0.0003477300000000, -0.0005066000000000, 0.0004026300000000 ] - [ -0.0000297900000000, 0.0007962700000000, -0.0005469700000000 ] - [ 0.0002000200000000, 0.0005045100000000, 0.0001812800000000 ] - [ -0.0045174700000000, 0.0006999100000000, 0.0001973700000000 ] - [ 0.0008685800000000, 0.0001625600000000, 0.0000054900000000 ] - [ -0.0020202100000000, 0.0001239400000000, 0.0001204500000000 ] - [ 0.0001476600000000, -0.0000202400000000, -0.0000220400000000 ] - [ 0.0007463900000000, 0.0002911600000000, 0.0010970800000000 ] - [ -0.0011550800000000, 0.0001673000000000, -0.0002568200000000 ] - [ -0.0057080900000000, -0.0108933000000000, 0.0021658000000000 ] - [ 0.1574381100000000, -0.0242695700000000, -0.0626058500000000 ] - [ 0.0007819800000000, -0.0006098900000000, -0.0002280600000000 ] - [ 0.0005325300000000, 0.0004436600000000, -0.0002043900000000 ] - [ -0.0007988500000000, 0.0003364900000000, 0.0001758100000000 ] - [ 0.0000007300000000, 0.0001743300000000, -0.0000113000000000 ] - [ 0.1689200600000000, 0.0325308600000000, 0.0645934900000000 ] - [ 0.0008221700000000, 0.0107176700000000, 0.0071730000000000 ] - [ -0.0004699600000000, -0.0015551000000000, 0.0001566000000000 ] - [ 0.0022326700000000, 0.0012905900000000, -0.0001361300000000 ] - [ 0.0007141000000000, -0.0012873500000000, 0.0006147000000000 ] - [ 0.0001444000000000, 0.0004738600000000, 0.0001572900000000 ] - [ -0.0003296200000000, 0.0004812800000000, -0.0000276800000000 ] - [ 0.0001155600000000, -0.0001546400000000, -0.0002169000000000 ] - [ 0.0004300500000000, -0.0013030800000000, 0.0006544700000000 ] - [ 0.0013683700000000, -0.0108354700000000, 0.0054195100000000 ] - [ 0.0069761900000000, 0.0044024200000000, -0.0106694100000000 ] - [ -0.0013762300000000, 0.0012638500000000, -0.0015549800000000 ] - [ -0.0007090200000000, -0.0000837800000000, -0.0001006500000000 ] - [ 0.0008953300000000, 0.0016750100000000, 0.0010747000000000 ] - [ 0.0020394500000000, -0.0028033700000000, -0.0014837700000000 ] - [ 0.0002694800000000, -0.0003626300000000, 0.0000933600000000 ] - [ 0.0024661800000000, 0.0008215600000000, -0.0003659900000000 ] - [ -0.0174831000000000, 0.0097842800000000, -0.0055819900000000 ] - [ 0.0004661800000000, -0.0004247200000000, 0.0000697800000000 ] - [ -0.0026508800000000, 0.0010239700000000, 0.0008415700000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028317800000000, -0.0012113300000000, 0.0002766900000000 ] - [ 0.0032276900000000, 0.0024084900000000, 0.0002292600000000 ] - [ -0.0001128400000000, 0.0003280600000000, -0.0000035400000000 ] - [ 0.0001123700000000, -0.0002939200000000, -0.0000360700000000 ] - [ 0.0033544000000000, 0.0009694500000000, -0.0020186500000000 ] - [ -0.0004870500000000, 0.0000440000000000, -0.0002481300000000 ] - [ -0.0001786600000000, 0.0000293300000000, 0.0000462200000000 ] - [ 0.0009823400000000, -0.0000184000000000, 0.0003865600000000 ] - [ -0.0033664400000000, 0.0018481600000000, -0.0008001000000000 ] - [ 0.0005822100000000, -0.0003064000000000, 0.0008782700000000 ] - [ -0.0003482800000000, -0.0007951500000000, -0.0010387100000000 ] - [ -0.0009844600000000, -0.0009828200000000, -0.0006790500000000 ] - [ -0.0025048500000000, -0.0026810100000000, 0.0017794400000000 ] - [ -0.0000503900000000, 0.0001126700000000, -0.0007663500000000 ] - [ 0.0005827600000000, 0.0008002300000000, 0.0006914900000000 ] - [ -0.0006440500000000, 0.0017104100000000, -0.0023335000000000 ] - [ -0.0013491800000000, 0.0011484800000000, 0.0013999800000000 ] - [ -0.0002690700000000, -0.0001506800000000, 0.0001037000000000 ] - [ 0.0014183900000000, -0.0023774400000000, -0.0006982500000000 ] - [ -0.0295839300000000, -0.0090875700000000, -0.0078217300000000 ] - [ 0.0002217700000000, -0.0004745800000000, 0.0000087000000000 ] - [ 0.0005948700000000, 0.0003121500000000, -0.0000754400000000 ] - [ -0.0004401100000000, 0.0004531500000000, 0.0000488200000000 ] - [ -0.0009871100000000, 0.0005000100000000, 0.0000732200000000 ] - [ 0.4096132500000000, 0.0092404700000000, -0.0099467500000000 ] - [ -0.0056743500000000, 0.0005219100000000, 0.0012046900000000 ] - [ -0.0009066800000000, -0.0003837000000000, 0.0002725100000000 ] - [ 0.0026608000000000, 0.0003689700000000, -0.0004295400000000 ] - [ 0.0003477300000000, -0.0002970000000000, -0.0001989100000000 ] - [ -0.0002697100000000, 0.0002614500000000, 0.0002993000000000 ] - [ 0.0000480300000000, 0.0002689800000000, -0.0002941100000000 ] - [ 0.0003436700000000, -0.0002491800000000, 0.0002175400000000 ] - [ -0.0291448500000000, 0.0014405500000000, 0.0111089000000000 ] - [ 0.0025210100000000, 0.0024504600000000, 0.0018640700000000 ] - [ 0.0001800500000000, -0.0000515100000000, -0.0005921000000000 ] - [ -0.0042820100000000, 0.0000934600000000, -0.0004447400000000 ] - [ -0.0006677900000000, 0.0003409200000000, 0.0002330600000000 ] - [ -0.0004005900000000, -0.0006517300000000, -0.0001018900000000 ] - [ 0.0004937000000000, -0.0006063500000000, 0.0000993600000000 ] - [ 0.0003938000000000, 0.0010143100000000, -0.0002061600000000 ] - [ -0.0000650600000000, -0.0003445700000000, 0.0005076700000000 ] - [ 0.0003037600000000, 0.0000333600000000, 0.0005978300000000 ] - [ -0.0067070100000000, -0.0188660100000000, -0.0081786700000000 ] - [ -0.0129509900000000, 0.0198217200000000, 0.0044006000000000 ] - [ -0.0001224700000000, -0.0005100000000000, 0.0000958300000000 ] - [ -0.0000540200000000, 0.0005042200000000, -0.0001703300000000 ] - [ 0.0001335800000000, 0.0001542400000000, 0.0001623400000000 ] - [ 0.0001077100000000, -0.0002915000000000, -0.0000761300000000 ] - [ -0.0008640400000000, -0.0014144200000000, 0.0015506200000000 ] - [ -0.0030453800000000, -0.0052837700000000, 0.0187918000000000 ] - [ 0.0011276500000000, -0.0010275200000000, -0.0018553400000000 ] - [ -0.0004318000000000, 0.0007646500000000, -0.0009450100000000 ] - [ -0.0001887100000000, -0.0004923500000000, -0.0003137500000000 ] - [ 0.0001478800000000, 0.0005083800000000, 0.0004673400000000 ] - [ 0.0003793300000000, 0.0001721400000000, -0.0006322500000000 ] - [ 0.0000857000000000, -0.0004865800000000, 0.0003328700000000 ] - [ 0.0001626500000000, -0.0007196000000000, 0.0002709400000000 ] - [ -0.0000486000000000, -0.0002171400000000, 0.0024482400000000 ] - [ -0.0096368400000000, 0.0090450000000000, -0.0171961900000000 ] - [ 0.0001430800000000, 0.0018944100000000, -0.0009680600000000 ] - [ -0.0001624100000000, 0.0003412400000000, -0.0002716600000000 ] - [ 0.0000353300000000, -0.0001834500000000, 0.0001038900000000 ] - [ 0.0003452100000000, -0.0014883200000000, 0.0000383800000000 ] - [ 0.0001082900000000, 0.0001831600000000, 0.0003249600000000 ] - [ 0.0044937200000000, -0.0007208300000000, -0.0002086200000000 ] - [ -0.0008698100000000, -0.0001385100000000, -0.0000048900000000 ] - [ 0.0020018900000000, -0.0000754900000000, -0.0001025200000000 ] - [ -0.0001349700000000, -0.0000060600000000, 0.0000205300000000 ] - [ -0.0019372200000000, 0.0005588800000000, -0.0013399500000000 ] - [ -0.0000586500000000, -0.0010307600000000, 0.0005223700000000 ] - [ 0.0069317400000000, 0.0100718000000000, -0.0024365000000000 ] - [ -0.1658752100000000, 0.0268916400000000, 0.0674814400000000 ] - [ 0.0004312800000000, -0.0002487400000000, 0.0004939400000000 ] - [ 0.0006792900000000, 0.0004175200000000, -0.0000558300000000 ] - [ -0.0004149800000000, 0.0005261100000000, 0.0000876900000000 ] - [ -0.0012123900000000, -0.0010354300000000, -0.0002573900000000 ] - [ -0.1596094000000000, -0.0292479800000000, -0.0602023600000000 ] - [ -0.0013293800000000, -0.0117490500000000, -0.0072042500000000 ] - [ 0.0009702500000000, 0.0005223000000000, -0.0001414100000000 ] - [ -0.0017582200000000, -0.0002605300000000, 0.0001625200000000 ] - [ -0.0002168600000000, 0.0002662900000000, -0.0006303800000000 ] - [ 0.0003538300000000, 0.0005536000000000, -0.0001477900000000 ] - [ -0.0001683500000000, 0.0005461900000000, 0.0000188400000000 ] - [ -0.0006110300000000, -0.0008635300000000, 0.0002294100000000 ] - [ 0.0007316100000000, 0.0014842100000000, -0.0003223000000000 ] - [ -0.0002191300000000, 0.0106126300000000, -0.0057244200000000 ] - [ -0.0080935300000000, -0.0045780300000000, 0.0110253200000000 ] - [ 0.0002160000000000, -0.0010892800000000, 0.0012208200000000 ] - [ -0.0004529200000000, -0.0000876900000000, -0.0002309700000000 ] - [ -0.0020278600000000, -0.0014854100000000, -0.0007224800000000 ] - [ -0.0009013600000000, 0.0029964800000000, 0.0011411200000000 ] - [ 0.0008924400000000, 0.0001910900000000, 0.0002425000000000 ] - [ -0.0024669000000000, 0.0000569700000000, 0.0003738600000000 ] - [ 0.0174818200000000, -0.0106215700000000, 0.0056455900000000 ] - [ -0.0004667500000000, -0.0004487700000000, -0.0000702400000000 ] - [ 0.0026435100000000, -0.0001526200000000, -0.0008376300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006133300000000, 0.0008752000000000, -0.0012085200000000 ] - [ 0.0003842500000000, 0.0011857600000000, 0.0010825300000000 ] - [ -0.0000136700000000, -0.0004095700000000, -0.0000326600000000 ] - [ 0.0000055800000000, -0.0008531600000000, 0.0000182800000000 ] - [ 0.0001183400000000, -0.0005168500000000, 0.0003179400000000 ] - [ 0.0000596600000000, -0.0007437000000000, 0.0000522000000000 ] - [ -0.0000073100000000, -0.0003608600000000, 0.0000052000000000 ] - [ 0.0000172600000000, 0.0002857100000000, -0.0001038000000000 ] - [ -0.0005328000000000, 0.0007344900000000, 0.0001922400000000 ] - [ -0.0000507600000000, 0.0005752400000000, 0.0011304600000000 ] - [ -0.0001125200000000, 0.0003147800000000, -0.0006203700000000 ] - [ -0.0000033300000000, 0.0000747600000000, 0.0015899300000000 ] - [ -0.0004932500000000, -0.0005698800000000, 0.0003475900000000 ] - [ -0.0007636700000000, 0.0016556900000000, -0.0010314000000000 ] - [ 0.0006926600000000, 0.0013777400000000, 0.0006353200000000 ] - [ 0.0003270600000000, -0.0003246500000000, -0.0014023100000000 ] - [ -0.0003898900000000, -0.0008620900000000, 0.0001986800000000 ] - [ -0.0005969100000000, -0.0001808600000000, 0.0002937900000000 ] - [ -0.0001459000000000, 0.0011515600000000, 0.0006157000000000 ] - [ 0.0088942500000000, -0.0012235600000000, 0.0022091800000000 ] - [ 0.0004893500000000, -0.0000741400000000, 0.0000949000000000 ] - [ 0.0007352500000000, 0.0010897200000000, -0.0002280700000000 ] - [ -0.0007484800000000, 0.0012420000000000, 0.0001698100000000 ] - [ -0.0006598900000000, 0.0002352600000000, -0.0003779400000000 ] - [ -0.0110493500000000, -0.0386695600000000, -0.0314976100000000 ] - [ 0.0009198900000000, 0.0012518800000000, 0.0001646600000000 ] - [ -0.0000317200000000, -0.0004727300000000, 0.0004257100000000 ] - [ -0.0000421800000000, -0.0011246600000000, -0.0005643800000000 ] - [ -0.0001029600000000, 0.0004062400000000, -0.0004329600000000 ] - [ -0.0001378900000000, 0.0008071500000000, 0.0002896100000000 ] - [ 0.0001253000000000, 0.0007497700000000, -0.0002920200000000 ] - [ 0.0001387400000000, 0.0001295200000000, 0.0003685200000000 ] - [ 0.0024613700000000, -0.0065996000000000, -0.0013672600000000 ] - [ 0.0008396100000000, 0.0013110200000000, 0.0014845500000000 ] - [ -0.0002966400000000, 0.0005518900000000, 0.0009768400000000 ] - [ -0.0007169700000000, -0.0023277100000000, 0.0002893300000000 ] - [ -0.0005122900000000, 0.0011805000000000, 0.0000551200000000 ] - [ -0.0003168100000000, 0.0002387000000000, 0.0000150600000000 ] - [ 0.0003410100000000, 0.0001632500000000, -0.0000074300000000 ] - [ 0.0005190900000000, 0.0011849100000000, -0.0002192400000000 ] - [ 0.0000270400000000, -0.0011521000000000, -0.0002423400000000 ] - [ 0.0001987900000000, -0.0019868800000000, 0.0002982700000000 ] - [ 0.0095091500000000, 0.0069709000000000, 0.0062456500000000 ] - [ -0.0080818800000000, 0.0035342600000000, 0.0020775800000000 ] - [ 0.0000635200000000, 0.0008124500000000, 0.0000672800000000 ] - [ -0.0002367000000000, 0.0017423100000000, -0.0002161300000000 ] - [ 0.0002764800000000, 0.0019456400000000, 0.0002485300000000 ] - [ -0.0000957100000000, 0.0010096500000000, -0.0000377400000000 ] - [ 0.0003450000000000, 0.0018474700000000, -0.0010422600000000 ] - [ 0.0010226900000000, -0.0067288300000000, -0.0010369200000000 ] - [ 0.0000334800000000, -0.0019855900000000, -0.0006562400000000 ] - [ -0.0001754800000000, 0.0003886000000000, -0.0011156800000000 ] - [ -0.0002396800000000, 0.0003746300000000, -0.0006803900000000 ] - [ -0.0003517000000000, 0.0015629500000000, -0.0002376200000000 ] - [ 0.0005015400000000, 0.0015996000000000, 0.0004453300000000 ] - [ 0.0002127500000000, 0.0003261900000000, 0.0006850100000000 ] - [ 0.0001714400000000, -0.0002487200000000, -0.0000874600000000 ] - [ 0.0001499400000000, -0.0006147900000000, -0.0007908900000000 ] - [ -0.0049311200000000, -0.0013451400000000, -0.0047262600000000 ] - [ -0.0000907200000000, 0.0009718100000000, -0.0011881200000000 ] - [ -0.0002447400000000, 0.0010752200000000, 0.0001518800000000 ] - [ -0.0004825300000000, 0.0004348100000000, 0.0012076100000000 ] - [ 0.0004661700000000, 0.0006670400000000, -0.0007124100000000 ] - [ 0.0002752000000000, 0.0012159200000000, -0.0001086600000000 ] - [ 0.0005034800000000, -0.0003817600000000, -0.0011946900000000 ] - [ 0.0000743600000000, 0.0005665300000000, -0.0003114600000000 ] - [ 0.0001111100000000, 0.0040802300000000, 0.0030096900000000 ] - [ -0.0000148400000000, 0.0005482500000000, 0.0001228700000000 ] - [ -0.0006631000000000, 0.0028640700000000, 0.0006868500000000 ] - [ -0.0008126000000000, 0.0006310600000000, 0.0004408800000000 ] - [ -0.0003145100000000, -0.0065167500000000, 0.0017514900000000 ] - [ -0.0243134400000000, 0.0216357000000000, 0.0109575200000000 ] - [ 0.0003457800000000, -0.0016162100000000, -0.0005788300000000 ] - [ 0.0006462400000000, -0.0010957000000000, -0.0003509700000000 ] - [ -0.0006385800000000, -0.0013014000000000, 0.0003577700000000 ] - [ -0.0001997000000000, -0.0022344100000000, 0.0005344100000000 ] - [ 0.0312445400000000, 0.0236072600000000, 0.0137129000000000 ] - [ -0.0015392700000000, -0.0047339000000000, -0.0024531300000000 ] - [ -0.0001719100000000, 0.0003736100000000, -0.0006306000000000 ] - [ 0.0005799700000000, 0.0029251400000000, 0.0001632900000000 ] - [ 0.0001385800000000, -0.0025460200000000, 0.0002899600000000 ] - [ 0.0000415300000000, -0.0013014700000000, -0.0001753000000000 ] - [ -0.0000612100000000, -0.0011022900000000, 0.0001628800000000 ] - [ -0.0004149200000000, -0.0020876600000000, -0.0001356000000000 ] - [ 0.0009330700000000, -0.0018848200000000, 0.0011886200000000 ] - [ -0.0008162100000000, 0.0016956900000000, 0.0017793700000000 ] - [ -0.0011750900000000, 0.0005661500000000, 0.0042957700000000 ] - [ -0.0005643100000000, -0.0012403300000000, 0.0012934900000000 ] - [ -0.0003577200000000, -0.0016118200000000, -0.0005382500000000 ] - [ 0.0015922500000000, -0.0021973600000000, -0.0011404400000000 ] - [ -0.0018145200000000, -0.0020356100000000, -0.0012784200000000 ] - [ 0.0003847400000000, -0.0016817400000000, 0.0001195300000000 ] - [ 0.0001691500000000, -0.0012378800000000, -0.0017036300000000 ] - [ -0.0014158100000000, 0.0042925100000000, -0.0030957900000000 ] - [ 0.0000372100000000, -0.0024188700000000, 0.0001494700000000 ] - [ 0.0002059900000000, -0.0004367300000000, 0.0003851600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006086300000000, -0.0014505400000000, 0.0012025600000000 ] - [ -0.0003831900000000, -0.0005957200000000, -0.0010792100000000 ] - [ 0.0000132600000000, 0.0009921100000000, 0.0000336000000000 ] - [ -0.0000061100000000, 0.0002681100000000, -0.0000195100000000 ] - [ -0.0001190100000000, 0.0005096000000000, -0.0003178400000000 ] - [ -0.0000592800000000, 0.0007417100000000, -0.0000531900000000 ] - [ 0.0000066500000000, 0.0003598800000000, -0.0000052600000000 ] - [ -0.0000182200000000, -0.0002871200000000, 0.0001049300000000 ] - [ 0.0012941400000000, 0.0002694600000000, -0.0019037700000000 ] - [ 0.0008026300000000, -0.0015725200000000, 0.0005823000000000 ] - [ -0.0006432600000000, -0.0013165100000000, -0.0010885500000000 ] - [ -0.0007554900000000, 0.0009337900000000, 0.0001202000000000 ] - [ -0.0002581400000000, -0.0004197400000000, 0.0013659200000000 ] - [ -0.0000063600000000, -0.0006362500000000, -0.0006733800000000 ] - [ 0.0000628100000000, -0.0003721800000000, 0.0010741000000000 ] - [ 0.0004306300000000, -0.0006787900000000, -0.0003051300000000 ] - [ -0.0006780500000000, 0.0015576900000000, -0.0003048700000000 ] - [ -0.0004698200000000, -0.0005131900000000, -0.0001877100000000 ] - [ 0.0012162000000000, -0.0018491600000000, -0.0007208300000000 ] - [ -0.0078730900000000, 0.0019090600000000, -0.0020928600000000 ] - [ 0.0005877000000000, -0.0006310100000000, 0.0000181400000000 ] - [ 0.0003334700000000, -0.0003916200000000, 0.0001174700000000 ] - [ -0.0003198400000000, -0.0005456800000000, -0.0000610200000000 ] - [ -0.0004048700000000, -0.0009282800000000, 0.0002719000000000 ] - [ 0.0110677000000000, 0.0402402700000000, 0.0326446300000000 ] - [ -0.0006696100000000, -0.0017927300000000, -0.0007218900000000 ] - [ -0.0002308700000000, -0.0000757600000000, 0.0001337400000000 ] - [ -0.0002103000000000, 0.0016652700000000, 0.0000209600000000 ] - [ -0.0001512300000000, -0.0009532400000000, -0.0001253000000000 ] - [ -0.0001161800000000, -0.0002628200000000, 0.0002651200000000 ] - [ 0.0001177400000000, -0.0002036800000000, -0.0002646700000000 ] - [ 0.0000989200000000, -0.0006743900000000, 0.0001945200000000 ] - [ -0.0015135600000000, 0.0053798300000000, 0.0011135100000000 ] - [ 0.0000845000000000, -0.0000794600000000, -0.0012317900000000 ] - [ -0.0006236700000000, 0.0006767300000000, -0.0012135300000000 ] - [ -0.0002092600000000, 0.0010933500000000, -0.0000448700000000 ] - [ -0.0004110300000000, 0.0000524100000000, 0.0001897000000000 ] - [ -0.0006062500000000, -0.0014646200000000, -0.0002598000000000 ] - [ 0.0005835800000000, -0.0013907800000000, 0.0002535700000000 ] - [ 0.0004058300000000, 0.0000475100000000, -0.0000260100000000 ] - [ 0.0001682100000000, 0.0020394300000000, -0.0000157000000000 ] - [ -0.0000011900000000, 0.0010800300000000, -0.0000425200000000 ] - [ -0.0095866000000000, -0.0078072100000000, -0.0063921400000000 ] - [ 0.0077752300000000, -0.0026292500000000, -0.0018131900000000 ] - [ -0.0002543000000000, -0.0016831500000000, 0.0001892400000000 ] - [ 0.0000404500000000, -0.0008488000000000, -0.0000400600000000 ] - [ -0.0000789000000000, -0.0010469700000000, 0.0000063600000000 ] - [ 0.0002920400000000, -0.0018972200000000, -0.0002166600000000 ] - [ -0.0000609800000000, -0.0009443600000000, 0.0017843500000000 ] - [ -0.0007151400000000, 0.0058235900000000, 0.0002600000000000 ] - [ -0.0003164200000000, 0.0010730500000000, 0.0013834500000000 ] - [ -0.0001068600000000, 0.0005235000000000, 0.0003913200000000 ] - [ -0.0000403900000000, -0.0012909800000000, -0.0000414200000000 ] - [ 0.0000724800000000, -0.0006417200000000, 0.0009611400000000 ] - [ -0.0002255500000000, -0.0006841700000000, -0.0011876000000000 ] - [ 0.0000668600000000, -0.0012364400000000, 0.0000458000000000 ] - [ 0.0001391800000000, -0.0004443600000000, 0.0005769100000000 ] - [ 0.0001647700000000, 0.0012931500000000, 0.0002595300000000 ] - [ 0.0046466400000000, 0.0020335300000000, 0.0052550100000000 ] - [ -0.0002240300000000, -0.0016474500000000, 0.0006700500000000 ] - [ -0.0000694100000000, -0.0003969800000000, -0.0006745700000000 ] - [ 0.0001713100000000, -0.0011099300000000, -0.0006850700000000 ] - [ -0.0001573900000000, -0.0013473100000000, 0.0002012500000000 ] - [ 0.0000358400000000, -0.0005341500000000, 0.0006195300000000 ] - [ -0.0005169700000000, 0.0003583500000000, 0.0011985900000000 ] - [ -0.0000504000000000, -0.0005328300000000, 0.0003102200000000 ] - [ -0.0000989700000000, -0.0041034500000000, -0.0030539200000000 ] - [ 0.0000244300000000, -0.0005703700000000, -0.0001233900000000 ] - [ -0.0005421800000000, -0.0019980700000000, -0.0009487500000000 ] - [ -0.0004021600000000, -0.0014765500000000, -0.0001769300000000 ] - [ 0.0015192000000000, 0.0056468100000000, -0.0020154200000000 ] - [ 0.0261754300000000, -0.0212030600000000, -0.0110709500000000 ] - [ 0.0008674800000000, 0.0007571100000000, 0.0008378600000000 ] - [ 0.0005669600000000, 0.0019477200000000, 0.0000918400000000 ] - [ -0.0005727500000000, 0.0021532900000000, -0.0000998100000000 ] - [ -0.0010128300000000, 0.0013779300000000, -0.0007922500000000 ] - [ -0.0321949600000000, -0.0231725000000000, -0.0139589800000000 ] - [ 0.0010526200000000, 0.0037030300000000, 0.0024357700000000 ] - [ 0.0006652400000000, -0.0013893700000000, 0.0006370000000000 ] - [ -0.0000822100000000, -0.0018922100000000, -0.0001669300000000 ] - [ 0.0003650600000000, 0.0015249900000000, -0.0003007100000000 ] - [ 0.0004543500000000, 0.0023206000000000, 0.0001839400000000 ] - [ -0.0004342600000000, 0.0021216600000000, -0.0001725200000000 ] - [ -0.0000845600000000, 0.0010614300000000, 0.0001434700000000 ] - [ 0.0002285000000000, 0.0020537700000000, -0.0008529900000000 ] - [ 0.0019805500000000, -0.0019207300000000, -0.0021150300000000 ] - [ 0.0000073000000000, -0.0007492400000000, -0.0039463900000000 ] - [ -0.0005981100000000, 0.0014162300000000, -0.0016221300000000 ] - [ -0.0008003100000000, 0.0014296000000000, 0.0002039300000000 ] - [ -0.0027516300000000, 0.0023659000000000, 0.0014831500000000 ] - [ 0.0029692800000000, 0.0022079000000000, 0.0009381700000000 ] - [ 0.0007729000000000, 0.0014967300000000, 0.0002125600000000 ] - [ -0.0001693500000000, 0.0021098800000000, 0.0016998600000000 ] - [ 0.0014097900000000, -0.0051718800000000, 0.0030733000000000 ] - [ -0.0000360300000000, 0.0015364700000000, -0.0001463300000000 ] - [ -0.0002077000000000, 0.0013040400000000, -0.0003871100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004890700000000, -0.0015533100000000, -0.0014489500000000 ] - [ 0.0002249400000000, 0.0013299400000000, 0.0000699300000000 ] - [ -0.0000014700000000, 0.0001274600000000, 0.0000163000000000 ] - [ 0.0000121400000000, -0.0002426400000000, -0.0000297100000000 ] - [ -0.0004911900000000, 0.0002685700000000, 0.0014847400000000 ] - [ 0.0000908900000000, -0.0001095600000000, 0.0001575900000000 ] - [ 0.0000014300000000, 0.0000342100000000, -0.0000803200000000 ] - [ 0.0001240900000000, -0.0000943600000000, -0.0007594900000000 ] - [ 0.0000851200000000, 0.0017743300000000, -0.0010663800000000 ] - [ 0.0002667200000000, -0.0002699900000000, 0.0009495700000000 ] - [ -0.0003692000000000, -0.0004096400000000, -0.0006978000000000 ] - [ -0.0002646700000000, 0.0010306200000000, 0.0011996300000000 ] - [ -0.0011906000000000, -0.0025886600000000, 0.0010437800000000 ] - [ -0.0003621800000000, 0.0004739700000000, -0.0009522100000000 ] - [ 0.0003241000000000, 0.0003787000000000, 0.0008168800000000 ] - [ 0.0006894200000000, -0.0011839400000000, 0.0000702800000000 ] - [ -0.0006628200000000, 0.0006603100000000, 0.0012151400000000 ] - [ -0.0007064400000000, -0.0004416900000000, 0.0003751100000000 ] - [ 0.0003268700000000, 0.0004533700000000, 0.0000097900000000 ] - [ 0.0039436900000000, 0.0022239000000000, -0.0043434000000000 ] - [ 0.0007736700000000, -0.0007483300000000, 0.0007309200000000 ] - [ 0.0005213200000000, 0.0003462600000000, -0.0000195000000000 ] - [ -0.0005172400000000, 0.0003525300000000, -0.0000234800000000 ] - [ -0.0008178600000000, -0.0010588100000000, -0.0006376400000000 ] - [ 0.0058245600000000, -0.0319305700000000, -0.0950180600000000 ] - [ 0.0016160300000000, 0.0001746500000000, -0.0007602400000000 ] - [ -0.0001345000000000, -0.0004174800000000, 0.0005961300000000 ] - [ 0.0000321100000000, 0.0005601000000000, 0.0060939400000000 ] - [ -0.0002125300000000, -0.0004259200000000, -0.0005616000000000 ] - [ -0.0001128100000000, 0.0002812300000000, 0.0002289400000000 ] - [ 0.0001147900000000, 0.0002873500000000, -0.0002528400000000 ] - [ 0.0001977700000000, -0.0003560700000000, 0.0005690500000000 ] - [ -0.0086062200000000, -0.0010771600000000, -0.0002670200000000 ] - [ 0.0003719800000000, 0.0012138500000000, 0.0001540800000000 ] - [ -0.0002443500000000, 0.0006535400000000, 0.0006388500000000 ] - [ 0.0000289500000000, -0.0004578000000000, 0.0020847300000000 ] - [ -0.0003387400000000, 0.0001923100000000, -0.0000810300000000 ] - [ -0.0004784400000000, -0.0005675800000000, -0.0001732500000000 ] - [ 0.0004601700000000, -0.0005772100000000, 0.0001240700000000 ] - [ 0.0003506900000000, 0.0003891200000000, 0.0001524100000000 ] - [ -0.0001892200000000, -0.0003940400000000, 0.0008923300000000 ] - [ 0.0003519500000000, -0.0009065800000000, 0.0014150100000000 ] - [ 0.0058211000000000, 0.0080972300000000, -0.0011183700000000 ] - [ 0.0006686000000000, -0.0010637700000000, -0.0038265700000000 ] - [ -0.0000560500000000, -0.0004516600000000, 0.0002812100000000 ] - [ -0.0001115200000000, 0.0005688400000000, -0.0000188100000000 ] - [ 0.0001130200000000, 0.0005422200000000, -0.0000092400000000 ] - [ 0.0000595000000000, -0.0005218000000000, -0.0002839800000000 ] - [ 0.0000984800000000, 0.0004854100000000, -0.0007482900000000 ] - [ -0.0104598000000000, -0.0041364100000000, 0.0125354400000000 ] - [ -0.0002267900000000, 0.0003685100000000, 0.0035742800000000 ] - [ -0.0000805100000000, 0.0000256800000000, -0.0002262100000000 ] - [ -0.0001465200000000, -0.0004056500000000, -0.0004212600000000 ] - [ -0.0002900700000000, 0.0011333400000000, -0.0004211800000000 ] - [ 0.0003852000000000, 0.0011159000000000, 0.0003067500000000 ] - [ 0.0001334200000000, -0.0003991700000000, 0.0004664000000000 ] - [ 0.0001153000000000, -0.0005697800000000, 0.0002662700000000 ] - [ 0.0002677400000000, 0.0010107800000000, 0.0040536000000000 ] - [ 0.0057279600000000, -0.0019255100000000, 0.0025446700000000 ] - [ -0.0000357800000000, -0.0004023000000000, -0.0007182000000000 ] - [ -0.0001605900000000, 0.0004031000000000, -0.0001333100000000 ] - [ -0.0003580200000000, 0.0002062100000000, 0.0011353000000000 ] - [ 0.0002871100000000, 0.0001997000000000, -0.0011301800000000 ] - [ 0.0001725700000000, 0.0004424400000000, 0.0001869600000000 ] - [ 0.0005494300000000, -0.0009240600000000, 0.0013970700000000 ] - [ 0.0000670700000000, -0.0000403100000000, -0.0000799400000000 ] - [ 0.0000759900000000, 0.0029197600000000, 0.0008796000000000 ] - [ -0.0000126400000000, 0.0000428800000000, 0.0000568200000000 ] - [ 0.0015391500000000, 0.0007582000000000, -0.0047534400000000 ] - [ -0.0005408400000000, -0.0000211000000000, -0.0005660100000000 ] - [ -0.0002477800000000, -0.0040356000000000, 0.0025190900000000 ] - [ -0.0665813000000000, 0.0125348100000000, 0.0460386600000000 ] - [ 0.0004047100000000, -0.0002320100000000, -0.0007774000000000 ] - [ 0.0006498700000000, 0.0003635100000000, -0.0002593700000000 ] - [ -0.0006527800000000, 0.0003810700000000, 0.0002596600000000 ] - [ -0.0003655200000000, -0.0000356000000000, 0.0009122800000000 ] - [ 0.0635936400000000, 0.0137524100000000, 0.0425391200000000 ] - [ -0.0005489800000000, -0.0002761900000000, 0.0016665700000000 ] - [ 0.0000126000000000, 0.0003473300000000, -0.0011871700000000 ] - [ -0.0024224900000000, -0.0004123000000000, -0.0054663200000000 ] - [ 0.0002764300000000, -0.0005697200000000, 0.0009647700000000 ] - [ 0.0002561400000000, 0.0004339900000000, 0.0001861000000000 ] - [ -0.0002503800000000, 0.0004313300000000, -0.0001257300000000 ] - [ -0.0002877200000000, -0.0007265500000000, -0.0008669100000000 ] - [ 0.0006777200000000, 0.0002365500000000, 0.0004141400000000 ] - [ 0.0015164000000000, 0.0074795800000000, -0.0056379600000000 ] - [ -0.0006856100000000, 0.0007773000000000, -0.0053386800000000 ] - [ -0.0006239900000000, 0.0005427800000000, 0.0001689500000000 ] - [ -0.0005413300000000, -0.0002424300000000, -0.0003201600000000 ] - [ 0.0004869500000000, -0.0019432900000000, -0.0001447500000000 ] - [ -0.0006777500000000, -0.0017568700000000, 0.0000056500000000 ] - [ 0.0005291600000000, -0.0003037200000000, 0.0000671600000000 ] - [ 0.0001528800000000, 0.0000266400000000, -0.0009098300000000 ] - [ 0.0008563300000000, -0.0035113300000000, -0.0013381400000000 ] - [ 0.0000334500000000, -0.0003952200000000, 0.0000803600000000 ] - [ 0.0002929600000000, 0.0022798300000000, -0.0005957600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004838000000000, 0.0009591300000000, 0.0014402700000000 ] - [ -0.0002242200000000, -0.0007436200000000, -0.0000716600000000 ] - [ 0.0000014100000000, 0.0004546800000000, -0.0000145900000000 ] - [ -0.0000121800000000, -0.0003395700000000, 0.0000292600000000 ] - [ 0.0004902400000000, -0.0002678400000000, -0.0014769800000000 ] - [ -0.0000907400000000, 0.0001090200000000, -0.0001556700000000 ] - [ -0.0000016600000000, -0.0000347000000000, 0.0000800100000000 ] - [ -0.0001231700000000, 0.0000947100000000, 0.0007559400000000 ] - [ 0.0006675200000000, -0.0007749200000000, -0.0006484100000000 ] - [ 0.0004922800000000, -0.0007376400000000, 0.0007624600000000 ] - [ -0.0003907200000000, -0.0006002600000000, -0.0010114500000000 ] - [ -0.0004886500000000, -0.0000282900000000, 0.0005157400000000 ] - [ 0.0004285800000000, 0.0015694100000000, 0.0006733800000000 ] - [ -0.0003890300000000, 0.0005238200000000, -0.0007629500000000 ] - [ 0.0004336500000000, 0.0006279500000000, 0.0008920700000000 ] - [ 0.0000736700000000, 0.0001727200000000, -0.0017790900000000 ] - [ -0.0004143400000000, 0.0000465300000000, -0.0013167200000000 ] - [ -0.0003631500000000, -0.0002598900000000, -0.0002681400000000 ] - [ 0.0007412100000000, -0.0011537600000000, -0.0001137400000000 ] - [ -0.0029042100000000, -0.0015563800000000, 0.0044579900000000 ] - [ 0.0002967600000000, 0.0000435700000000, -0.0006216400000000 ] - [ 0.0005538800000000, 0.0003598900000000, -0.0000895800000000 ] - [ -0.0005532400000000, 0.0003467600000000, 0.0001315900000000 ] - [ -0.0002531600000000, 0.0003565400000000, 0.0005292500000000 ] - [ -0.0052386900000000, 0.0322115800000000, 0.0966257800000000 ] - [ -0.0013470500000000, -0.0007218500000000, 0.0001973800000000 ] - [ -0.0001241300000000, -0.0001300300000000, -0.0000335200000000 ] - [ -0.0002852800000000, -0.0000164300000000, -0.0067336600000000 ] - [ -0.0000490600000000, -0.0001207200000000, -0.0000013000000000 ] - [ -0.0001555200000000, 0.0002638900000000, 0.0003315500000000 ] - [ 0.0001394900000000, 0.0002616500000000, -0.0003142700000000 ] - [ 0.0000583300000000, -0.0001924700000000, -0.0000044100000000 ] - [ 0.0095861800000000, -0.0001310700000000, 0.0000079100000000 ] - [ 0.0005441700000000, 0.0000230100000000, 0.0000779400000000 ] - [ -0.0006750200000000, 0.0005824800000000, -0.0008791700000000 ] - [ -0.0009500500000000, -0.0007739900000000, -0.0018440400000000 ] - [ -0.0005772500000000, 0.0010381400000000, 0.0003146600000000 ] - [ -0.0004368600000000, -0.0006628200000000, -0.0000617600000000 ] - [ 0.0004554700000000, -0.0006545200000000, 0.0001109400000000 ] - [ 0.0005681100000000, 0.0008430100000000, -0.0003894600000000 ] - [ 0.0003818800000000, 0.0012851000000000, -0.0011502200000000 ] - [ -0.0001573800000000, 0.0000170300000000, -0.0011506900000000 ] - [ -0.0059654100000000, -0.0089326900000000, 0.0008470000000000 ] - [ -0.0008588000000000, 0.0019714100000000, 0.0040805600000000 ] - [ -0.0001368500000000, -0.0004432000000000, -0.0000181900000000 ] - [ -0.0000818200000000, 0.0003223400000000, -0.0002419400000000 ] - [ 0.0000833800000000, 0.0003597800000000, 0.0002709700000000 ] - [ 0.0001385600000000, -0.0003801300000000, 0.0000274000000000 ] - [ 0.0001818100000000, 0.0004320600000000, 0.0014724000000000 ] - [ 0.0105259600000000, 0.0032041300000000, -0.0130280100000000 ] - [ -0.0000492900000000, -0.0012751300000000, -0.0028258600000000 ] - [ -0.0002013200000000, 0.0008811400000000, -0.0005019400000000 ] - [ -0.0001347500000000, -0.0005019000000000, -0.0003095500000000 ] - [ 0.0000100200000000, -0.0002171800000000, 0.0011462200000000 ] - [ -0.0001046400000000, -0.0002021000000000, -0.0010312400000000 ] - [ 0.0001477700000000, -0.0005074100000000, 0.0002755000000000 ] - [ 0.0002017000000000, -0.0001177700000000, 0.0002431800000000 ] - [ 0.0000456400000000, -0.0003273200000000, -0.0045412700000000 ] - [ -0.0059579000000000, 0.0025890100000000, -0.0020313800000000 ] - [ -0.0002768900000000, -0.0002877300000000, 0.0002183300000000 ] - [ -0.0001544000000000, 0.0002882700000000, -0.0003644500000000 ] - [ 0.0000416200000000, -0.0008908000000000, -0.0006229400000000 ] - [ 0.0000292800000000, -0.0008855700000000, 0.0006214900000000 ] - [ 0.0001398600000000, 0.0002477600000000, 0.0003096900000000 ] - [ -0.0005547400000000, 0.0008922800000000, -0.0013918800000000 ] - [ -0.0000718100000000, 0.0000662800000000, 0.0000806400000000 ] - [ -0.0000776900000000, -0.0028988200000000, -0.0008766900000000 ] - [ 0.0000123100000000, -0.0000741100000000, -0.0000565300000000 ] - [ -0.0027398800000000, 0.0001062200000000, 0.0044660400000000 ] - [ -0.0006691400000000, -0.0008361900000000, 0.0008272800000000 ] - [ 0.0014627500000000, 0.0031887200000000, -0.0027837000000000 ] - [ 0.0667450200000000, -0.0115352700000000, -0.0463380900000000 ] - [ 0.0008072900000000, -0.0006253100000000, 0.0010351200000000 ] - [ 0.0005614800000000, 0.0004929600000000, -0.0000055400000000 ] - [ -0.0005607800000000, 0.0004738000000000, 0.0000070400000000 ] - [ -0.0008464700000000, -0.0008212900000000, -0.0011690800000000 ] - [ -0.0633174100000000, -0.0126486600000000, -0.0431317800000000 ] - [ 0.0000568200000000, -0.0007350600000000, -0.0016595800000000 ] - [ 0.0004829900000000, -0.0013733400000000, 0.0011933100000000 ] - [ 0.0029073600000000, 0.0014325800000000, 0.0054289700000000 ] - [ 0.0002213700000000, -0.0004506500000000, -0.0009646800000000 ] - [ 0.0002436300000000, 0.0005903800000000, -0.0001762500000000 ] - [ -0.0002452100000000, 0.0005919700000000, 0.0001168800000000 ] - [ -0.0002120600000000, -0.0002948700000000, 0.0008694400000000 ] - [ 0.0004792200000000, -0.0000588100000000, -0.0000780600000000 ] - [ -0.0003551100000000, -0.0076069900000000, 0.0052627600000000 ] - [ -0.0004861800000000, -0.0009510400000000, 0.0056660500000000 ] - [ -0.0005364500000000, -0.0003660100000000, -0.0005054200000000 ] - [ -0.0006190200000000, 0.0000659800000000, -0.0000160600000000 ] - [ -0.0016338000000000, 0.0021107600000000, 0.0004887100000000 ] - [ 0.0018258100000000, 0.0019220500000000, -0.0003505400000000 ] - [ 0.0006318200000000, 0.0001243300000000, 0.0002685600000000 ] - [ -0.0001534200000000, 0.0008491100000000, 0.0009111700000000 ] - [ -0.0008511400000000, 0.0026261600000000, 0.0013300000000000 ] - [ -0.0000341900000000, -0.0004819300000000, -0.0000794500000000 ] - [ -0.0002888400000000, -0.0013920500000000, 0.0005944100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012657900000000, -0.0004522500000000, 0.0014982600000000 ] - [ 0.0069450100000000, 0.0037549700000000, -0.0035232000000000 ] - [ -0.0000378000000000, 0.0004902900000000, 0.0000014700000000 ] - [ 0.0000383200000000, -0.0001523800000000, -0.0000032100000000 ] - [ 0.0016129400000000, 0.0007344000000000, -0.0009415700000000 ] - [ -0.0002480700000000, 0.0002774500000000, -0.0001293900000000 ] - [ -0.0001170200000000, 0.0000434500000000, 0.0000228500000000 ] - [ 0.0001334800000000, 0.0004570200000000, 0.0005884500000000 ] - [ -0.0041134000000000, 0.0005236300000000, -0.0004270900000000 ] - [ 0.0006219000000000, -0.0007789300000000, 0.0006827800000000 ] - [ -0.0003957000000000, -0.0008229300000000, -0.0010876200000000 ] - [ 0.0003353200000000, -0.0019821800000000, -0.0001299500000000 ] - [ -0.0006409200000000, -0.0007581500000000, 0.0013152100000000 ] - [ -0.0000566400000000, -0.0001141000000000, -0.0006586600000000 ] - [ 0.0005046300000000, 0.0006249800000000, 0.0009557300000000 ] - [ -0.0001568000000000, 0.0002158800000000, -0.0018286800000000 ] - [ -0.0054380100000000, 0.0001144800000000, -0.0031283600000000 ] - [ -0.0001728600000000, -0.0000025700000000, -0.0003199600000000 ] - [ 0.0011701800000000, -0.0018541600000000, -0.0006933600000000 ] - [ 0.0250108000000000, -0.0093750200000000, 0.0116251600000000 ] - [ 0.0004237600000000, -0.0005209400000000, -0.0001376500000000 ] - [ 0.0005216100000000, 0.0001536000000000, -0.0000048300000000 ] - [ -0.0004352600000000, 0.0001477900000000, 0.0000547700000000 ] - [ -0.0006742600000000, -0.0001007400000000, 0.0001699800000000 ] - [ 0.0297548700000000, 0.0022156200000000, -0.0087547500000000 ] - [ -0.0019284900000000, -0.0006499000000000, -0.0001917400000000 ] - [ -0.0007865900000000, -0.0001135800000000, 0.0000595800000000 ] - [ 0.0037110400000000, 0.0005293300000000, 0.0002025300000000 ] - [ 0.0000777800000000, -0.0003254800000000, -0.0001612500000000 ] - [ -0.0001905300000000, 0.0001294200000000, 0.0002944200000000 ] - [ 0.0000969700000000, 0.0001530700000000, -0.0002813000000000 ] - [ 0.0002046000000000, -0.0003307500000000, 0.0001734200000000 ] - [ -0.1756946400000000, 0.0195480100000000, 0.1385682100000000 ] - [ 0.0013726000000000, 0.0008640100000000, 0.0003907600000000 ] - [ -0.0003775100000000, 0.0003891400000000, -0.0012191400000000 ] - [ 0.0169496200000000, -0.0010283400000000, -0.0174197400000000 ] - [ -0.0005322800000000, 0.0004483300000000, 0.0001990000000000 ] - [ -0.0004668700000000, -0.0008796300000000, -0.0001307600000000 ] - [ 0.0005026400000000, -0.0007864900000000, 0.0001503100000000 ] - [ 0.0004093300000000, 0.0006253900000000, -0.0001623400000000 ] - [ -0.0011368500000000, 0.0010682900000000, 0.0003247100000000 ] - [ 0.0010601700000000, 0.0012688100000000, -0.0016162900000000 ] - [ 0.0014668700000000, -0.0084925400000000, -0.0087322000000000 ] - [ 0.0064175000000000, 0.0037461800000000, 0.0035051000000000 ] - [ -0.0001446300000000, -0.0007887800000000, 0.0001235200000000 ] - [ -0.0000515500000000, 0.0001000700000000, -0.0001412300000000 ] - [ 0.0000830300000000, -0.0000895400000000, 0.0001442000000000 ] - [ 0.0001386900000000, -0.0007345700000000, -0.0001163300000000 ] - [ -0.0009538400000000, -0.0020066300000000, 0.0019392500000000 ] - [ 0.0027458400000000, 0.0006751100000000, -0.0018109400000000 ] - [ -0.0002311300000000, -0.0003462000000000, -0.0016817200000000 ] - [ 0.0001313100000000, 0.0016581000000000, -0.0003020300000000 ] - [ -0.0001304400000000, -0.0006852600000000, -0.0002636800000000 ] - [ -0.0002542700000000, 0.0000215500000000, 0.0005562700000000 ] - [ 0.0004271200000000, -0.0000200900000000, -0.0006453700000000 ] - [ 0.0001026500000000, -0.0006766800000000, 0.0002354000000000 ] - [ 0.0000946600000000, -0.0003426900000000, 0.0005986300000000 ] - [ 0.0009925300000000, -0.0005806200000000, -0.0027449500000000 ] - [ -0.0010810800000000, 0.0043472700000000, -0.0063487200000000 ] - [ -0.0001337100000000, 0.0001075200000000, -0.0000252700000000 ] - [ -0.0001389400000000, 0.0001713300000000, -0.0004002400000000 ] - [ -0.0002442100000000, -0.0006940900000000, 0.0000031400000000 ] - [ 0.0003661900000000, -0.0014573000000000, 0.0002496000000000 ] - [ 0.0000962200000000, 0.0000231800000000, 0.0003685100000000 ] - [ 0.0011660800000000, 0.0001889800000000, -0.0006293300000000 ] - [ -0.0006777800000000, -0.0001984600000000, 0.0003047000000000 ] - [ 0.0006491200000000, 0.0002364600000000, 0.0001685500000000 ] - [ -0.0000595600000000, -0.0001715700000000, -0.0000740700000000 ] - [ 0.0019436800000000, -0.0024973700000000, -0.0018746700000000 ] - [ -0.0001364200000000, -0.0024042300000000, 0.0008299700000000 ] - [ 0.0042530100000000, 0.0070751600000000, -0.0008219100000000 ] - [ -0.0201179200000000, -0.0033942900000000, -0.0010466800000000 ] - [ 0.0005268700000000, -0.0000129500000000, 0.0005447500000000 ] - [ 0.0006174300000000, 0.0008247400000000, -0.0000185500000000 ] - [ -0.0005050700000000, 0.0009232800000000, 0.0000377700000000 ] - [ -0.0008172000000000, -0.0003254600000000, -0.0005434700000000 ] - [ 0.0863325000000000, 0.0094735300000000, -0.0933452200000000 ] - [ 0.0007156100000000, -0.0029151100000000, -0.0019529100000000 ] - [ 0.0010284300000000, -0.0008773800000000, 0.0005005600000000 ] - [ -0.0056915000000000, 0.0021575700000000, 0.0057241300000000 ] - [ -0.0000822100000000, 0.0002330400000000, -0.0005279200000000 ] - [ 0.0003476700000000, 0.0010133100000000, -0.0000512100000000 ] - [ -0.0002534700000000, 0.0009178700000000, -0.0000196700000000 ] - [ -0.0002751400000000, -0.0002068600000000, 0.0002734900000000 ] - [ 0.0005782000000000, 0.0015355700000000, -0.0009692100000000 ] - [ -0.0008407200000000, -0.0006233600000000, 0.0008071900000000 ] - [ -0.0022412700000000, -0.0017612500000000, 0.0047301500000000 ] - [ -0.0002982400000000, -0.0006917300000000, -0.0007644100000000 ] - [ -0.0005785800000000, 0.0002965400000000, 0.0000104500000000 ] - [ -0.0000002400000000, 0.0000839600000000, 0.0003751600000000 ] - [ -0.0011865300000000, 0.0020205300000000, 0.0001864200000000 ] - [ 0.0007735100000000, 0.0004872800000000, 0.0003027400000000 ] - [ -0.0012377300000000, 0.0008884100000000, 0.0013412900000000 ] - [ 0.0292489400000000, -0.0202491000000000, -0.0119818000000000 ] - [ -0.0003155200000000, 0.0000562300000000, -0.0002071000000000 ] - [ 0.0008439100000000, 0.0002324600000000, -0.0001468500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012606000000000, -0.0001305500000000, -0.0015030300000000 ] - [ -0.0068441800000000, -0.0029250600000000, 0.0033583800000000 ] - [ 0.0000355200000000, 0.0000893500000000, -0.0000014100000000 ] - [ -0.0000380900000000, -0.0004306100000000, 0.0000021400000000 ] - [ -0.0015970300000000, -0.0007317400000000, 0.0009514700000000 ] - [ 0.0002470100000000, -0.0002800100000000, 0.0001301400000000 ] - [ 0.0001158100000000, -0.0000447500000000, -0.0000235400000000 ] - [ -0.0001231600000000, -0.0004608600000000, -0.0005931300000000 ] - [ 0.0049052800000000, 0.0006152000000000, -0.0012563300000000 ] - [ 0.0001385200000000, -0.0002228900000000, 0.0010238500000000 ] - [ -0.0003644300000000, -0.0001808600000000, -0.0006177500000000 ] - [ -0.0011161500000000, 0.0029931300000000, 0.0018454600000000 ] - [ -0.0001239100000000, -0.0002577300000000, 0.0004036700000000 ] - [ -0.0007043200000000, 0.0011203900000000, -0.0010493200000000 ] - [ 0.0002533200000000, 0.0003810000000000, 0.0007571200000000 ] - [ 0.0009176500000000, -0.0012239700000000, 0.0001234900000000 ] - [ 0.0043466500000000, 0.0006173900000000, 0.0030910400000000 ] - [ -0.0008896400000000, -0.0006880700000000, 0.0004245800000000 ] - [ -0.0001042100000000, 0.0011610400000000, 0.0005857800000000 ] - [ -0.0237537900000000, 0.0098174400000000, -0.0113717900000000 ] - [ 0.0006373600000000, -0.0001746300000000, 0.0002419400000000 ] - [ 0.0005392200000000, 0.0005401500000000, -0.0000987100000000 ] - [ -0.0006313700000000, 0.0005536300000000, 0.0000509100000000 ] - [ -0.0003925400000000, -0.0005944500000000, -0.0002790800000000 ] - [ -0.0299748800000000, -0.0017543800000000, 0.0094325900000000 ] - [ 0.0021707700000000, 0.0001015700000000, -0.0003649600000000 ] - [ 0.0005272400000000, -0.0004396800000000, 0.0004949400000000 ] - [ -0.0039256100000000, 0.0000171600000000, -0.0007773900000000 ] - [ -0.0003349200000000, -0.0002275900000000, -0.0003987300000000 ] - [ -0.0000606600000000, 0.0004257900000000, 0.0002613200000000 ] - [ 0.0001586600000000, 0.0004019000000000, -0.0002712800000000 ] - [ 0.0000589700000000, -0.0002203000000000, 0.0003852900000000 ] - [ 0.1777630300000000, -0.0190882200000000, -0.1423092000000000 ] - [ -0.0004375100000000, 0.0003718800000000, -0.0001287700000000 ] - [ -0.0005439900000000, 0.0008354600000000, 0.0009763300000000 ] - [ -0.0176062300000000, -0.0001549200000000, 0.0173945600000000 ] - [ -0.0003921400000000, 0.0007803200000000, 0.0000469000000000 ] - [ -0.0004576800000000, -0.0003440500000000, -0.0001195300000000 ] - [ 0.0004236500000000, -0.0004382500000000, 0.0000986000000000 ] - [ 0.0005136500000000, 0.0006085000000000, -0.0000823500000000 ] - [ 0.0013357200000000, -0.0002147800000000, -0.0005551800000000 ] - [ -0.0008624400000000, -0.0021434400000000, 0.0018571100000000 ] - [ -0.0016386900000000, 0.0077103800000000, 0.0086154000000000 ] - [ -0.0065962700000000, -0.0027849800000000, -0.0032131200000000 ] - [ -0.0000509400000000, -0.0001050300000000, 0.0001302400000000 ] - [ -0.0001425200000000, 0.0008005000000000, -0.0001142000000000 ] - [ 0.0001088400000000, 0.0009839800000000, 0.0001144600000000 ] - [ 0.0000547300000000, -0.0001527400000000, -0.0001392500000000 ] - [ 0.0012404700000000, 0.0028959100000000, -0.0012117700000000 ] - [ -0.0024825700000000, -0.0016002000000000, 0.0011382700000000 ] - [ -0.0000332600000000, -0.0005679400000000, 0.0024291800000000 ] - [ -0.0004080300000000, -0.0007386400000000, -0.0004180100000000 ] - [ -0.0001438600000000, -0.0002221100000000, -0.0004659600000000 ] - [ -0.0000104000000000, 0.0009023000000000, 0.0001641100000000 ] - [ -0.0001513300000000, 0.0009352600000000, -0.0000768300000000 ] - [ 0.0001725500000000, -0.0002284800000000, 0.0004891800000000 ] - [ 0.0002142500000000, -0.0003447800000000, -0.0000842400000000 ] - [ -0.0006826900000000, 0.0012480600000000, 0.0022148600000000 ] - [ 0.0008216500000000, -0.0036743900000000, 0.0068665000000000 ] - [ -0.0001775000000000, -0.0007787800000000, -0.0005047100000000 ] - [ -0.0001683600000000, 0.0005161500000000, -0.0001147900000000 ] - [ -0.0000611400000000, 0.0000173100000000, 0.0005209400000000 ] - [ -0.0000571000000000, 0.0007639000000000, -0.0007638400000000 ] - [ 0.0002101500000000, 0.0006645400000000, 0.0001414300000000 ] - [ -0.0011626900000000, -0.0002149600000000, 0.0006308200000000 ] - [ 0.0006831900000000, 0.0002214600000000, -0.0003046000000000 ] - [ -0.0006379500000000, -0.0002171200000000, -0.0001719400000000 ] - [ 0.0000602200000000, 0.0001462700000000, 0.0000728900000000 ] - [ -0.0032181700000000, 0.0033819900000000, 0.0015908600000000 ] - [ -0.0010701200000000, 0.0015333200000000, -0.0005681800000000 ] - [ -0.0030615300000000, -0.0079415400000000, 0.0005894300000000 ] - [ 0.0213900100000000, 0.0042253200000000, 0.0012701300000000 ] - [ 0.0006839900000000, -0.0008507100000000, -0.0002850400000000 ] - [ 0.0005964800000000, 0.0000304700000000, -0.0002454400000000 ] - [ -0.0007069300000000, -0.0000702200000000, 0.0002244500000000 ] - [ -0.0004009000000000, -0.0005430000000000, 0.0002955100000000 ] - [ -0.0888142000000000, -0.0089389900000000, 0.0976414900000000 ] - [ -0.0012014800000000, 0.0018650500000000, 0.0019359300000000 ] - [ -0.0005297800000000, -0.0001368600000000, -0.0005025600000000 ] - [ 0.0061981700000000, -0.0011218100000000, -0.0057390500000000 ] - [ 0.0005772000000000, -0.0012550500000000, 0.0005221400000000 ] - [ 0.0001501300000000, 0.0000065200000000, 0.0000601500000000 ] - [ -0.0002423000000000, 0.0001040900000000, 0.0000106600000000 ] - [ -0.0002300700000000, -0.0008256200000000, -0.0002744200000000 ] - [ 0.0005845000000000, -0.0013563600000000, 0.0013000000000000 ] - [ 0.0019968300000000, 0.0004756000000000, -0.0011691100000000 ] - [ 0.0010654600000000, 0.0015875700000000, -0.0043774700000000 ] - [ -0.0008587100000000, 0.0008589100000000, 0.0004364000000000 ] - [ -0.0005794000000000, -0.0004753600000000, -0.0003464600000000 ] - [ -0.0012209500000000, 0.0000703400000000, -0.0000625900000000 ] - [ 0.0023485800000000, -0.0018368800000000, -0.0005207300000000 ] - [ 0.0003859100000000, -0.0006698700000000, 0.0000310700000000 ] - [ 0.0012325600000000, -0.0000225300000000, -0.0013465900000000 ] - [ -0.0285885600000000, 0.0179592600000000, 0.0110963800000000 ] - [ 0.0003128400000000, -0.0009360400000000, 0.0002074400000000 ] - [ -0.0008300700000000, 0.0006469900000000, 0.0001444300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010723700000000, 0.0012332300000000, -0.0014701700000000 ] - [ 0.0034167700000000, 0.0109139900000000, -0.0015061200000000 ] - [ -0.0002159600000000, -0.0008559200000000, -0.0001634700000000 ] - [ 0.0000581400000000, -0.0011386000000000, 0.0000269700000000 ] - [ 0.0007800100000000, -0.0004784600000000, 0.0020870000000000 ] - [ 0.0002828400000000, -0.0009386800000000, -0.0000376500000000 ] - [ 0.0000879400000000, -0.0006163200000000, 0.0000823300000000 ] - [ 0.0007739200000000, -0.0002664600000000, -0.0007373400000000 ] - [ 0.0037706600000000, 0.0233697200000000, 0.0032217400000000 ] - [ -0.0002592300000000, 0.0008545200000000, 0.0011265900000000 ] - [ 0.0000170000000000, 0.0008099700000000, -0.0006125300000000 ] - [ -0.0023476900000000, 0.0012488800000000, 0.0027368000000000 ] - [ -0.0008907300000000, -0.0009619900000000, 0.0002634200000000 ] - [ -0.0017196900000000, 0.0032962000000000, -0.0012229800000000 ] - [ 0.0008274200000000, 0.0017717600000000, 0.0006157700000000 ] - [ 0.0004389600000000, -0.0004061100000000, -0.0007553000000000 ] - [ 0.0006660300000000, -0.0006712600000000, 0.0102601500000000 ] - [ -0.0005725200000000, -0.0001200200000000, 0.0000707400000000 ] - [ -0.0006645100000000, 0.0016458400000000, 0.0014992900000000 ] - [ -0.0153676600000000, -0.0002228500000000, -0.0065299400000000 ] - [ 0.0003517100000000, 0.0000367900000000, 0.0003009400000000 ] - [ 0.0008713500000000, 0.0016503800000000, -0.0004402900000000 ] - [ -0.0009671400000000, 0.0016683000000000, 0.0003391400000000 ] - [ -0.0007351900000000, 0.0002690800000000, -0.0012399100000000 ] - [ -0.0017884500000000, -0.0057139600000000, -0.0002192000000000 ] - [ 0.0019653500000000, 0.0004165600000000, 0.0003160200000000 ] - [ 0.0005396500000000, -0.0003397000000000, 0.0002432700000000 ] - [ 0.0005795600000000, -0.0014345500000000, -0.0004348800000000 ] - [ 0.0001485000000000, 0.0002880200000000, -0.0007001600000000 ] - [ -0.0001633300000000, 0.0011260500000000, 0.0003242200000000 ] - [ 0.0001214200000000, 0.0010511600000000, -0.0003181300000000 ] - [ 0.0005276900000000, 0.0002907300000000, 0.0005110700000000 ] - [ 0.0181073900000000, -0.1253744100000000, 0.0002071900000000 ] - [ 0.0002130400000000, 0.0009979700000000, 0.0009898900000000 ] - [ -0.0006854300000000, 0.0009235100000000, 0.0006906300000000 ] - [ -0.0000250500000000, -0.0043081800000000, 0.0001444700000000 ] - [ -0.0006292000000000, 0.0013404800000000, 0.0000813500000000 ] - [ -0.0001943400000000, 0.0009624500000000, 0.0001524600000000 ] - [ 0.0002860700000000, 0.0005708800000000, -0.0000767300000000 ] - [ 0.0004495100000000, 0.0015211300000000, -0.0000698000000000 ] - [ -0.0007267700000000, -0.0016465500000000, -0.0043247700000000 ] - [ 0.0002816200000000, -0.0027393900000000, 0.0005582200000000 ] - [ -0.0065728800000000, 0.0032030900000000, 0.0111333000000000 ] - [ 0.0051031200000000, -0.0025530400000000, 0.0017378900000000 ] - [ 0.0001133400000000, 0.0013569400000000, -0.0000242300000000 ] - [ -0.0002735800000000, 0.0027408800000000, -0.0002077200000000 ] - [ 0.0003759400000000, 0.0026153500000000, 0.0002596600000000 ] - [ -0.0001997600000000, 0.0018092300000000, -0.0000928400000000 ] - [ -0.0009269500000000, 0.0090155500000000, -0.0007373200000000 ] - [ -0.0006275900000000, -0.0029437700000000, -0.0002829700000000 ] - [ 0.0006724800000000, -0.0030393900000000, 0.0001492700000000 ] - [ 0.0006666300000000, 0.0006488100000000, -0.0014321200000000 ] - [ -0.0002812400000000, 0.0007372000000000, -0.0007953600000000 ] - [ 0.0014759400000000, 0.0037956900000000, -0.0011262400000000 ] - [ 0.0002017800000000, 0.0016843000000000, 0.0004758600000000 ] - [ 0.0002696600000000, 0.0007635400000000, 0.0008289200000000 ] - [ 0.0000496900000000, 0.0000187300000000, -0.0007325500000000 ] - [ -0.0001927900000000, -0.0009728000000000, -0.0007237500000000 ] - [ 0.0024856900000000, -0.0009208600000000, -0.0061788000000000 ] - [ -0.0000064800000000, 0.0003262100000000, -0.0007839700000000 ] - [ -0.0002828200000000, 0.0014016200000000, 0.0002857600000000 ] - [ 0.0004851900000000, 0.0018877800000000, 0.0030390900000000 ] - [ -0.0002545800000000, 0.0010320300000000, -0.0011759300000000 ] - [ 0.0003396700000000, 0.0016647000000000, -0.0002519700000000 ] - [ 0.0006152100000000, -0.0005580000000000, -0.0002052700000000 ] - [ 0.0010944900000000, 0.0012236000000000, -0.0006127100000000 ] - [ 0.0019992600000000, 0.0004937800000000, 0.0003694500000000 ] - [ 0.0000284700000000, 0.0007532300000000, 0.0001147700000000 ] - [ -0.0030898000000000, 0.0109614200000000, 0.0005322800000000 ] - [ -0.0014547700000000, 0.0012334800000000, 0.0009061800000000 ] - [ -0.0004476200000000, -0.0091051300000000, -0.0041841800000000 ] - [ 0.0035778700000000, 0.0126293400000000, 0.0013187300000000 ] - [ 0.0002356100000000, -0.0021571400000000, -0.0006703400000000 ] - [ 0.0006958200000000, -0.0021626200000000, -0.0004237200000000 ] - [ -0.0006435900000000, -0.0021415900000000, 0.0004050200000000 ] - [ -0.0005822100000000, -0.0030079200000000, 0.0024079300000000 ] - [ 0.0151781700000000, 0.0329856500000000, -0.0189651500000000 ] - [ -0.0017741700000000, -0.0012095400000000, -0.0001128000000000 ] - [ -0.0003500100000000, -0.0005529000000000, 0.0002690400000000 ] - [ 0.0012922500000000, 0.0034101900000000, -0.0011218500000000 ] - [ 0.0002751600000000, -0.0029033500000000, 0.0004867700000000 ] - [ -0.0000742700000000, -0.0024480900000000, -0.0003662900000000 ] - [ 0.0000186900000000, -0.0018746100000000, 0.0002879800000000 ] - [ -0.0010023600000000, -0.0034292000000000, -0.0008530700000000 ] - [ 0.0013121600000000, -0.0050903200000000, 0.0034576600000000 ] - [ 0.0007711300000000, 0.0020940700000000, 0.0002808100000000 ] - [ -0.0023285700000000, 0.0014848800000000, 0.0012912800000000 ] - [ -0.0017175100000000, -0.0013387800000000, 0.0006492800000000 ] - [ -0.0003206900000000, -0.0021844100000000, -0.0005736100000000 ] - [ -0.0083540800000000, -0.0056799900000000, -0.0054050900000000 ] - [ 0.0006653000000000, -0.0020280900000000, -0.0006921400000000 ] - [ 0.0001854500000000, -0.0024280800000000, 0.0001744200000000 ] - [ 0.0010206100000000, -0.0016374400000000, -0.0017621900000000 ] - [ -0.0193643900000000, 0.0544755700000000, 0.0129379100000000 ] - [ 0.0004032000000000, -0.0038540400000000, 0.0003796600000000 ] - [ 0.0008327000000000, -0.0002499600000000, 0.0003249700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010744500000000, -0.0018108700000000, 0.0014757000000000 ] - [ -0.0029740300000000, -0.0098361100000000, 0.0011740700000000 ] - [ 0.0002186300000000, 0.0014405200000000, 0.0001665600000000 ] - [ -0.0000588000000000, 0.0005563400000000, -0.0000287700000000 ] - [ -0.0007898300000000, 0.0004637800000000, -0.0021024700000000 ] - [ -0.0002822900000000, 0.0009402800000000, 0.0000354500000000 ] - [ -0.0000873700000000, 0.0006168100000000, -0.0000818100000000 ] - [ -0.0007731200000000, 0.0002606000000000, 0.0007428600000000 ] - [ -0.0030746300000000, -0.0229149000000000, -0.0049495100000000 ] - [ 0.0010244600000000, -0.0018675200000000, 0.0005803300000000 ] - [ -0.0007823100000000, -0.0018230700000000, -0.0010947100000000 ] - [ 0.0015858200000000, -0.0002217700000000, -0.0010301400000000 ] - [ 0.0001307400000000, -0.0000334900000000, 0.0014419100000000 ] - [ 0.0009429600000000, -0.0022735000000000, -0.0004832800000000 ] - [ -0.0000694600000000, -0.0007704000000000, 0.0010932200000000 ] - [ 0.0003166900000000, -0.0005859100000000, -0.0009592000000000 ] - [ -0.0017582400000000, 0.0013697600000000, -0.0104815000000000 ] - [ -0.0004933900000000, -0.0005806500000000, 0.0000323800000000 ] - [ 0.0017312600000000, -0.0023541400000000, -0.0016029400000000 ] - [ 0.0166082700000000, 0.0009410300000000, 0.0067364600000000 ] - [ 0.0007170500000000, -0.0007315000000000, -0.0001965100000000 ] - [ 0.0001916100000000, -0.0009600800000000, 0.0003329100000000 ] - [ -0.0000984500000000, -0.0009744400000000, -0.0002323900000000 ] - [ -0.0003284400000000, -0.0009602200000000, 0.0011479900000000 ] - [ 0.0022155000000000, 0.0062679900000000, 0.0007209200000000 ] - [ -0.0017099600000000, -0.0009737800000000, -0.0008715500000000 ] - [ -0.0007958600000000, -0.0002142800000000, 0.0003163200000000 ] - [ -0.0008198700000000, 0.0019854300000000, -0.0001174500000000 ] - [ -0.0004036700000000, -0.0008380100000000, 0.0001447900000000 ] - [ -0.0000892000000000, -0.0005775400000000, 0.0002321700000000 ] - [ 0.0001344100000000, -0.0005028200000000, -0.0002379500000000 ] - [ -0.0002764400000000, -0.0008424600000000, 0.0000484700000000 ] - [ -0.0205478200000000, 0.1255647400000000, 0.0023036600000000 ] - [ 0.0007073800000000, 0.0002270800000000, -0.0007515400000000 ] - [ -0.0002378000000000, 0.0003035500000000, -0.0009374400000000 ] - [ -0.0008994200000000, 0.0031027900000000, 0.0001157000000000 ] - [ -0.0002936800000000, -0.0001086000000000, 0.0001623400000000 ] - [ -0.0007310600000000, -0.0021933800000000, -0.0003983300000000 ] - [ 0.0006382800000000, -0.0018026500000000, 0.0003216600000000 ] - [ 0.0004721400000000, -0.0002890500000000, -0.0001728900000000 ] - [ 0.0009165500000000, 0.0025265900000000, 0.0040508600000000 ] - [ -0.0000846600000000, 0.0018430200000000, -0.0003077700000000 ] - [ 0.0063369300000000, -0.0041231600000000, -0.0112963800000000 ] - [ -0.0052669300000000, 0.0034165700000000, -0.0014767200000000 ] - [ -0.0003054000000000, -0.0022420100000000, 0.0002792000000000 ] - [ 0.0000779200000000, -0.0018441400000000, -0.0000504500000000 ] - [ -0.0001822200000000, -0.0017221300000000, -0.0000024500000000 ] - [ 0.0003950100000000, -0.0027008600000000, -0.0001591800000000 ] - [ 0.0011858200000000, -0.0080146600000000, 0.0014817500000000 ] - [ 0.0009132600000000, 0.0020426600000000, -0.0004632300000000 ] - [ -0.0009522500000000, 0.0021273800000000, 0.0005640700000000 ] - [ -0.0009403200000000, 0.0002615400000000, 0.0007022100000000 ] - [ 0.0000050500000000, -0.0016454400000000, 0.0000697200000000 ] - [ -0.0017737200000000, -0.0029184900000000, 0.0018730500000000 ] - [ 0.0000732300000000, -0.0007805500000000, -0.0012150200000000 ] - [ 0.0000082000000000, -0.0016644300000000, -0.0001010800000000 ] - [ 0.0002596500000000, -0.0007129300000000, 0.0012239100000000 ] - [ 0.0005007300000000, 0.0016559000000000, 0.0002079600000000 ] - [ -0.0027801900000000, 0.0016485600000000, 0.0066487300000000 ] - [ -0.0003055400000000, -0.0010193400000000, 0.0002771700000000 ] - [ -0.0000261500000000, -0.0007175100000000, -0.0007960400000000 ] - [ -0.0008061600000000, -0.0025896400000000, -0.0025594500000000 ] - [ 0.0005654700000000, -0.0017167800000000, 0.0006726800000000 ] - [ -0.0000338000000000, -0.0009809700000000, 0.0007591600000000 ] - [ -0.0006012600000000, 0.0005322600000000, 0.0001968400000000 ] - [ -0.0010688000000000, -0.0011930200000000, 0.0006088600000000 ] - [ -0.0020162700000000, -0.0004635100000000, -0.0003706100000000 ] - [ -0.0000231800000000, -0.0007865700000000, -0.0001149400000000 ] - [ 0.0018895400000000, -0.0101047400000000, -0.0008086000000000 ] - [ 0.0002406400000000, -0.0020825700000000, -0.0006405300000000 ] - [ 0.0016850200000000, 0.0082688600000000, 0.0038692200000000 ] - [ -0.0024175100000000, -0.0117514900000000, -0.0010263600000000 ] - [ 0.0009793700000000, 0.0012938700000000, 0.0009352800000000 ] - [ 0.0005150900000000, 0.0030217500000000, 0.0001667800000000 ] - [ -0.0005691800000000, 0.0030009700000000, -0.0001452800000000 ] - [ -0.0006312200000000, 0.0021525600000000, -0.0026966800000000 ] - [ -0.0149495900000000, -0.0314998100000000, 0.0180655400000000 ] - [ 0.0012710700000000, 0.0002044000000000, 0.0001038400000000 ] - [ 0.0008466600000000, -0.0004611300000000, -0.0002533500000000 ] - [ -0.0007844100000000, -0.0023846400000000, 0.0011009200000000 ] - [ 0.0002258300000000, 0.0018769500000000, -0.0004989000000000 ] - [ 0.0005694500000000, 0.0034773100000000, 0.0003730500000000 ] - [ -0.0005150900000000, 0.0028999200000000, -0.0002933300000000 ] - [ 0.0005087500000000, 0.0024119000000000, 0.0008750700000000 ] - [ -0.0001535500000000, 0.0052575500000000, -0.0031060500000000 ] - [ 0.0003806700000000, -0.0022838600000000, -0.0006150200000000 ] - [ 0.0011554900000000, -0.0016752300000000, -0.0008924800000000 ] - [ 0.0005501200000000, 0.0015205600000000, -0.0009862400000000 ] - [ -0.0008406900000000, 0.0020110700000000, 0.0002387200000000 ] - [ 0.0072678300000000, 0.0058700800000000, 0.0058029400000000 ] - [ 0.0004996800000000, 0.0021960700000000, 0.0003481300000000 ] - [ 0.0009760900000000, 0.0022560900000000, 0.0001576900000000 ] - [ -0.0010208100000000, 0.0025232500000000, 0.0017666000000000 ] - [ 0.0212967300000000, -0.0572971700000000, -0.0144341500000000 ] - [ -0.0003985200000000, 0.0029784600000000, -0.0003749500000000 ] - [ -0.0008340400000000, 0.0011011300000000, -0.0003301500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012607000000000, -0.0000247000000000, -0.0027988000000000 ] - [ -0.0033296900000000, -0.0014950200000000, 0.0064296000000000 ] - [ -0.0000122400000000, 0.0000162200000000, 0.0000612300000000 ] - [ 0.0000006500000000, -0.0004058400000000, -0.0000656600000000 ] - [ -0.0006911500000000, 0.0016880500000000, 0.0010009200000000 ] - [ 0.0001909800000000, -0.0004841700000000, 0.0002034300000000 ] - [ 0.0000091000000000, 0.0001258400000000, -0.0000757000000000 ] - [ 0.0011853500000000, -0.0021647900000000, -0.0014656700000000 ] - [ 0.0015532700000000, 0.0036828800000000, -0.0049163000000000 ] - [ 0.0000612700000000, 0.0000616300000000, 0.0012666900000000 ] - [ -0.0004013800000000, -0.0003503800000000, -0.0003251800000000 ] - [ -0.0021618900000000, 0.0029620400000000, -0.0001719700000000 ] - [ -0.0003135500000000, -0.0010644400000000, 0.0014773200000000 ] - [ -0.0005988400000000, 0.0010611600000000, -0.0012908100000000 ] - [ 0.0003128300000000, 0.0003493800000000, 0.0005289300000000 ] - [ 0.0010904400000000, -0.0011666600000000, 0.0024676500000000 ] - [ 0.0008161500000000, 0.0107944000000000, 0.0193040200000000 ] - [ -0.0010810700000000, -0.0009422000000000, 0.0008777100000000 ] - [ -0.0002757400000000, 0.0019422500000000, 0.0009658100000000 ] - [ 0.0021086700000000, -0.0039861600000000, -0.0065921500000000 ] - [ 0.0006751300000000, -0.0002167000000000, 0.0007211900000000 ] - [ 0.0005750300000000, 0.0004676600000000, -0.0001318200000000 ] - [ -0.0005812200000000, 0.0006102700000000, -0.0000393200000000 ] - [ -0.0005581900000000, -0.0011868300000000, -0.0004718500000000 ] - [ -0.0112948600000000, -0.0009830500000000, 0.0001120200000000 ] - [ 0.0018750000000000, 0.0010868900000000, -0.0002471600000000 ] - [ -0.0005904900000000, -0.0013675200000000, 0.0010489000000000 ] - [ 0.0004211600000000, 0.0001026000000000, 0.0016872400000000 ] - [ -0.0002314300000000, -0.0003438400000000, -0.0004805100000000 ] - [ -0.0001040000000000, 0.0004150100000000, 0.0002302200000000 ] - [ 0.0001088500000000, 0.0004070100000000, -0.0002696100000000 ] - [ 0.0002043900000000, -0.0001793800000000, 0.0005522900000000 ] - [ 0.1435457900000000, -0.0009367100000000, -0.2074499900000000 ] - [ 0.0001918000000000, 0.0014889400000000, 0.0015271000000000 ] - [ 0.0006403200000000, -0.0001903400000000, 0.0030187300000000 ] - [ -0.0177645700000000, -0.0006141500000000, 0.0124119400000000 ] - [ -0.0003862000000000, 0.0005742800000000, 0.0001509700000000 ] - [ -0.0004529500000000, -0.0003389100000000, -0.0001947900000000 ] - [ 0.0004318100000000, -0.0004176600000000, 0.0000416600000000 ] - [ 0.0004217200000000, 0.0005647400000000, 0.0001797200000000 ] - [ 0.0015073700000000, -0.0068711900000000, 0.0070471100000000 ] - [ -0.0002723700000000, -0.0029976400000000, 0.0023833600000000 ] - [ -0.0061686900000000, 0.0108495200000000, 0.0093021100000000 ] - [ 0.0016709800000000, 0.0017186600000000, -0.0004530400000000 ] - [ -0.0000329500000000, -0.0000640100000000, 0.0001866700000000 ] - [ -0.0001450800000000, 0.0010340700000000, -0.0000578700000000 ] - [ 0.0001353600000000, 0.0007818500000000, 0.0000586200000000 ] - [ 0.0000273000000000, -0.0002482100000000, -0.0002328400000000 ] - [ 0.0006214800000000, 0.0027815100000000, -0.0032914500000000 ] - [ -0.0007394200000000, -0.0016629800000000, 0.0016302200000000 ] - [ 0.0005212100000000, 0.0006733800000000, 0.0073079700000000 ] - [ -0.0005334600000000, -0.0011590100000000, -0.0012199300000000 ] - [ -0.0001839200000000, -0.0002094800000000, -0.0004383800000000 ] - [ 0.0000694700000000, 0.0013327400000000, -0.0003504500000000 ] - [ -0.0000200300000000, 0.0011426100000000, -0.0000110300000000 ] - [ 0.0001370900000000, -0.0001972200000000, 0.0005906500000000 ] - [ 0.0002765300000000, -0.0016011200000000, -0.0008047800000000 ] - [ -0.0005166400000000, 0.0020555600000000, 0.0039826800000000 ] - [ -0.0053691400000000, -0.0094473500000000, 0.0188087800000000 ] - [ -0.0000848000000000, 0.0004591900000000, -0.0015230700000000 ] - [ -0.0001685300000000, 0.0005472500000000, 0.0000136900000000 ] - [ 0.0000584700000000, 0.0008943500000000, 0.0008442300000000 ] - [ 0.0000906600000000, 0.0000133200000000, -0.0011666000000000 ] - [ 0.0002232000000000, 0.0007130400000000, 0.0001665900000000 ] - [ -0.0023000500000000, -0.0002992500000000, 0.0020157800000000 ] - [ 0.0003662600000000, 0.0001672600000000, -0.0005809900000000 ] - [ 0.0003499900000000, 0.0003450800000000, -0.0006581000000000 ] - [ -0.0000170300000000, 0.0001682800000000, 0.0002276500000000 ] - [ -0.0087737400000000, 0.0054924300000000, -0.0142029700000000 ] - [ -0.0002424000000000, 0.0024006300000000, -0.0003973700000000 ] - [ -0.0028250800000000, -0.0123171100000000, 0.0021118700000000 ] - [ 0.0048350000000000, 0.0017081700000000, -0.0003066000000000 ] - [ 0.0005451800000000, -0.0008753300000000, -0.0005376800000000 ] - [ 0.0006956300000000, -0.0000337700000000, -0.0003260100000000 ] - [ -0.0006363500000000, -0.0000232100000000, 0.0002593900000000 ] - [ -0.0002869400000000, -0.0002765800000000, 0.0009996400000000 ] - [ -0.0978238200000000, -0.0118675600000000, 0.1379047700000000 ] - [ -0.0014997900000000, -0.0023688600000000, 0.0001878100000000 ] - [ -0.0010681500000000, 0.0047635300000000, -0.0030555900000000 ] - [ 0.0022684200000000, -0.0004832000000000, -0.0070951000000000 ] - [ 0.0003846400000000, -0.0008346800000000, 0.0004537500000000 ] - [ 0.0002030000000000, -0.0000003800000000, 0.0001815000000000 ] - [ -0.0001919300000000, 0.0000512000000000, -0.0000212000000000 ] - [ -0.0003542200000000, -0.0013069900000000, -0.0010368500000000 ] - [ 0.0009413100000000, -0.0009055000000000, 0.0025674600000000 ] - [ 0.0023970900000000, 0.0000527900000000, -0.0041805100000000 ] - [ 0.0025948900000000, 0.0010399700000000, -0.0126725700000000 ] - [ -0.0004877300000000, 0.0008339800000000, 0.0018607200000000 ] - [ -0.0004867900000000, -0.0005514300000000, -0.0006539600000000 ] - [ -0.0020994700000000, -0.0029803300000000, 0.0006491500000000 ] - [ 0.0011499100000000, -0.0009726100000000, 0.0014905000000000 ] - [ 0.0004403000000000, -0.0007723900000000, -0.0002684000000000 ] - [ 0.0005418400000000, -0.0002067300000000, -0.0031969800000000 ] - [ -0.0062368400000000, 0.0093605200000000, 0.0264777000000000 ] - [ 0.0001654000000000, -0.0008935500000000, 0.0004309400000000 ] - [ -0.0005035800000000, 0.0015049700000000, -0.0006790000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012459800000000, -0.0005550000000000, 0.0027875700000000 ] - [ 0.0034571500000000, 0.0022324000000000, -0.0064483300000000 ] - [ 0.0000101400000000, 0.0005608300000000, -0.0000619200000000 ] - [ -0.0000009100000000, -0.0001773900000000, 0.0000652600000000 ] - [ 0.0006762900000000, -0.0016845500000000, -0.0009713300000000 ] - [ -0.0001885300000000, 0.0004801900000000, -0.0002005400000000 ] - [ -0.0000091200000000, -0.0001277500000000, 0.0000735800000000 ] - [ -0.0011902200000000, 0.0021687200000000, 0.0014552500000000 ] - [ -0.0007528600000000, -0.0025166700000000, 0.0032371400000000 ] - [ 0.0007049300000000, -0.0010707900000000, 0.0004392400000000 ] - [ -0.0003605200000000, -0.0006503900000000, -0.0013823000000000 ] - [ 0.0013795800000000, -0.0019357100000000, 0.0019042800000000 ] - [ -0.0004442300000000, 0.0000555300000000, 0.0002242100000000 ] - [ -0.0001617600000000, -0.0000554300000000, -0.0004185300000000 ] - [ 0.0004472800000000, 0.0006562100000000, 0.0011828500000000 ] - [ -0.0003107400000000, 0.0001270500000000, -0.0041555900000000 ] - [ -0.0018944600000000, -0.0103175200000000, -0.0196776900000000 ] - [ 0.0000102500000000, 0.0002444400000000, -0.0007697700000000 ] - [ 0.0013367400000000, -0.0026140900000000, -0.0010689700000000 ] - [ -0.0011966700000000, 0.0047149600000000, 0.0065841300000000 ] - [ 0.0004010000000000, -0.0004907200000000, -0.0006065000000000 ] - [ 0.0004970000000000, 0.0002353000000000, 0.0000230200000000 ] - [ -0.0004906900000000, 0.0000940000000000, 0.0001484100000000 ] - [ -0.0005138700000000, 0.0004720700000000, 0.0003472300000000 ] - [ 0.0113968700000000, 0.0014880500000000, 0.0003953000000000 ] - [ -0.0016065100000000, -0.0016264000000000, -0.0003229800000000 ] - [ 0.0003426800000000, 0.0008228500000000, -0.0004817100000000 ] - [ -0.0006687400000000, 0.0004425500000000, -0.0022426800000000 ] - [ -0.0000164900000000, -0.0002024700000000, -0.0000888000000000 ] - [ -0.0001526900000000, 0.0001334400000000, 0.0003339000000000 ] - [ 0.0001443500000000, 0.0001408900000000, -0.0002937000000000 ] - [ 0.0000471100000000, -0.0003680800000000, 0.0000153800000000 ] - [ -0.1373726300000000, 0.0011244800000000, 0.2020851900000000 ] - [ 0.0007253600000000, -0.0002547500000000, -0.0012811900000000 ] - [ -0.0015725900000000, 0.0014338900000000, -0.0032588800000000 ] - [ 0.0170406200000000, -0.0005807200000000, -0.0122332200000000 ] - [ -0.0005394300000000, 0.0006598800000000, 0.0000938600000000 ] - [ -0.0004676400000000, -0.0008886100000000, -0.0000462500000000 ] - [ 0.0004913400000000, -0.0008111700000000, 0.0001988200000000 ] - [ 0.0005067200000000, 0.0006638800000000, -0.0004251000000000 ] - [ -0.0013250000000000, 0.0078284500000000, -0.0073682500000000 ] - [ 0.0004652000000000, 0.0021137100000000, -0.0021289000000000 ] - [ 0.0058237500000000, -0.0114657500000000, -0.0093099200000000 ] - [ -0.0018832200000000, -0.0008626200000000, 0.0006750500000000 ] - [ -0.0001604100000000, -0.0008260200000000, 0.0000750000000000 ] - [ -0.0000501600000000, -0.0001427100000000, -0.0001969900000000 ] - [ 0.0000587000000000, 0.0001119100000000, 0.0001990100000000 ] - [ 0.0001650400000000, -0.0006396700000000, -0.0000308700000000 ] - [ -0.0003324300000000, -0.0018867400000000, 0.0039953400000000 ] - [ 0.0010058900000000, 0.0007420200000000, -0.0023874900000000 ] - [ -0.0008061500000000, -0.0015760800000000, -0.0065445000000000 ] - [ 0.0002533500000000, 0.0020720400000000, 0.0004932900000000 ] - [ -0.0000965500000000, -0.0006967900000000, -0.0003024400000000 ] - [ -0.0003370000000000, -0.0003960300000000, 0.0010745300000000 ] - [ 0.0002986700000000, -0.0002211000000000, -0.0007175200000000 ] - [ 0.0001426500000000, -0.0007128400000000, 0.0001464800000000 ] - [ 0.0000374500000000, 0.0009219400000000, 0.0013224400000000 ] - [ 0.0008279000000000, -0.0013759200000000, -0.0044954100000000 ] - [ 0.0049851600000000, 0.0098999900000000, -0.0179684800000000 ] - [ -0.0002288000000000, -0.0011433300000000, 0.0010049400000000 ] - [ -0.0001447600000000, 0.0001443600000000, -0.0005117500000000 ] - [ -0.0003693400000000, -0.0015665900000000, -0.0003086400000000 ] - [ 0.0002180000000000, -0.0006844400000000, 0.0006511400000000 ] - [ 0.0000909400000000, -0.0000212200000000, 0.0003319600000000 ] - [ 0.0022561500000000, 0.0002700600000000, -0.0020061600000000 ] - [ -0.0003655000000000, -0.0001433500000000, 0.0005817300000000 ] - [ -0.0003349100000000, -0.0003162700000000, 0.0006622700000000 ] - [ 0.0000122500000000, -0.0001936700000000, -0.0002270500000000 ] - [ 0.0075707800000000, -0.0046422300000000, 0.0139322000000000 ] - [ -0.0009715500000000, -0.0032547400000000, 0.0006446100000000 ] - [ 0.0039866200000000, 0.0113469600000000, -0.0023205000000000 ] - [ -0.0035433300000000, -0.0007700800000000, 0.0006164200000000 ] - [ 0.0006656000000000, 0.0000190700000000, 0.0007879300000000 ] - [ 0.0005164700000000, 0.0008816000000000, 0.0000633300000000 ] - [ -0.0005768300000000, 0.0008729200000000, 0.0000059000000000 ] - [ -0.0009227100000000, -0.0005830200000000, -0.0012363600000000 ] - [ 0.0915707600000000, 0.0121128500000000, -0.1325176600000000 ] - [ 0.0009945300000000, 0.0013651900000000, -0.0001682100000000 ] - [ 0.0015622700000000, -0.0057953400000000, 0.0030459700000000 ] - [ -0.0017339600000000, 0.0015108800000000, 0.0070472400000000 ] - [ 0.0001135400000000, -0.0001949200000000, -0.0004478300000000 ] - [ 0.0002931400000000, 0.0010159100000000, -0.0001711400000000 ] - [ -0.0003048000000000, 0.0009660000000000, 0.0000097000000000 ] - [ -0.0001468700000000, 0.0002801900000000, 0.0010301100000000 ] - [ 0.0002186800000000, 0.0010842900000000, -0.0022400800000000 ] - [ -0.0012222900000000, -0.0002405100000000, 0.0038494000000000 ] - [ -0.0037177700000000, -0.0011993000000000, 0.0129440500000000 ] - [ -0.0006725300000000, -0.0006532700000000, -0.0021945600000000 ] - [ -0.0006747000000000, 0.0003647000000000, 0.0003179900000000 ] - [ 0.0008834400000000, 0.0031225700000000, -0.0003570400000000 ] - [ 0.0000169600000000, 0.0011280400000000, -0.0018431200000000 ] - [ 0.0007204400000000, 0.0005819600000000, 0.0006050300000000 ] - [ -0.0005291900000000, 0.0010702400000000, 0.0031856000000000 ] - [ 0.0069139400000000, -0.0110492400000000, -0.0267122100000000 ] - [ -0.0001663000000000, 0.0000095900000000, -0.0004316800000000 ] - [ 0.0004906300000000, -0.0006070500000000, 0.0006874800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008388900000000, -0.0001953900000000, -0.0007803000000000 ] - [ -0.0006993100000000, 0.0007248800000000, -0.0047602600000000 ] - [ -0.0000135000000000, 0.0001295700000000, -0.0000048900000000 ] - [ 0.0000198200000000, -0.0004682600000000, -0.0000070900000000 ] - [ 0.0000832300000000, -0.0000164300000000, -0.0001505800000000 ] - [ -0.0001589300000000, 0.0000400900000000, -0.0000631600000000 ] - [ -0.0001897200000000, -0.0001466100000000, 0.0000795900000000 ] - [ -0.0000614100000000, 0.0000870400000000, 0.0002474000000000 ] - [ 0.0002667900000000, 0.0002779700000000, -0.0006254500000000 ] - [ 0.0005675800000000, -0.0004502500000000, 0.0007239200000000 ] - [ -0.0005481400000000, -0.0010958800000000, -0.0009916200000000 ] - [ 0.0000352000000000, 0.0000425000000000, 0.0007117900000000 ] - [ -0.0002927600000000, -0.0003576600000000, 0.0010227300000000 ] - [ -0.0004090400000000, 0.0006281800000000, -0.0007785600000000 ] - [ 0.0008075700000000, 0.0012958700000000, 0.0010394600000000 ] - [ -0.0001428500000000, 0.0003235600000000, -0.0007717100000000 ] - [ -0.0032675400000000, -0.0025852100000000, -0.0000841800000000 ] - [ 0.0019771200000000, -0.0001458700000000, -0.0009124700000000 ] - [ 0.0002591500000000, -0.0008755800000000, 0.0012302500000000 ] - [ 0.0006617800000000, -0.0000006700000000, 0.0006213100000000 ] - [ 0.0004411000000000, -0.0001022100000000, -0.0000500700000000 ] - [ 0.0006736300000000, 0.0004606200000000, -0.0001216500000000 ] - [ -0.0005588400000000, 0.0005491900000000, 0.0001533700000000 ] - [ -0.0004739500000000, -0.0001191300000000, 0.0000958800000000 ] - [ 0.0002877900000000, 0.0002089700000000, -0.0000076600000000 ] - [ -0.0000783300000000, -0.0003778800000000, -0.0005276800000000 ] - [ 0.0064611500000000, 0.0093127400000000, -0.0056647600000000 ] - [ 0.0126033200000000, 0.0081339900000000, 0.0005027900000000 ] - [ -0.0001002500000000, -0.0001235000000000, -0.0002341800000000 ] - [ -0.0001671300000000, 0.0004184700000000, 0.0002903600000000 ] - [ 0.0000917700000000, 0.0004582700000000, -0.0002908100000000 ] - [ 0.0001168600000000, -0.0000867800000000, 0.0002347600000000 ] - [ -0.0007771800000000, -0.0014333800000000, 0.0012921000000000 ] - [ 0.0014256400000000, 0.0004292000000000, 0.0004954200000000 ] - [ 0.0011165000000000, -0.0058451200000000, 0.0058644100000000 ] - [ 0.0060589000000000, -0.0058205900000000, 0.0019246900000000 ] - [ -0.0005100500000000, 0.0008207300000000, 0.0001882500000000 ] - [ -0.0004185000000000, -0.0004360900000000, -0.0000822800000000 ] - [ 0.0004480300000000, -0.0003344300000000, 0.0000856200000000 ] - [ 0.0005030900000000, 0.0009092200000000, -0.0001931200000000 ] - [ -0.0603133800000000, -0.0543610900000000, -0.0259209400000000 ] - [ 0.0042205200000000, -0.0032069200000000, 0.0006811600000000 ] - [ -0.0004684900000000, -0.0008676400000000, 0.0002166600000000 ] - [ 0.0003833800000000, -0.0000889700000000, 0.0005179700000000 ] - [ -0.0000548900000000, -0.0000269200000000, 0.0000681100000000 ] - [ -0.0001443000000000, 0.0007939700000000, -0.0001878000000000 ] - [ 0.0001424500000000, 0.0008071600000000, 0.0001712200000000 ] - [ 0.0000508500000000, -0.0000934000000000, -0.0000756400000000 ] - [ -0.0008238100000000, 0.0006192200000000, 0.0012402700000000 ] - [ 0.0004621700000000, -0.0008117400000000, 0.0000122000000000 ] - [ -0.0022184400000000, 0.0047913900000000, 0.0054813300000000 ] - [ 0.0025995100000000, 0.0023732600000000, 0.0011266800000000 ] - [ -0.0001011100000000, -0.0001847400000000, -0.0004972500000000 ] - [ -0.0002000900000000, 0.0006456200000000, 0.0002868100000000 ] - [ 0.0002065300000000, 0.0006172500000000, -0.0003198500000000 ] - [ 0.0000315700000000, -0.0002784500000000, 0.0004432800000000 ] - [ -0.0038541900000000, -0.0018109600000000, -0.0002235500000000 ] - [ 0.0017289500000000, 0.0001692600000000, 0.0003695900000000 ] - [ -0.0004911100000000, 0.0001484000000000, 0.0016567500000000 ] - [ 0.0000552400000000, -0.0004178800000000, 0.0004179600000000 ] - [ -0.0001055100000000, 0.0006055200000000, -0.0001910400000000 ] - [ -0.0002351000000000, -0.0003067500000000, 0.0002101900000000 ] - [ 0.0002198400000000, -0.0002365400000000, -0.0002952100000000 ] - [ 0.0000657800000000, 0.0004529100000000, 0.0001713600000000 ] - [ 0.0007379800000000, 0.0004158000000000, 0.0003652800000000 ] - [ -0.0006015700000000, 0.0003095900000000, 0.0001927100000000 ] - [ -0.0000549300000000, 0.0004540200000000, -0.0002550900000000 ] - [ -0.0001492100000000, 0.0004718700000000, -0.0002638400000000 ] - [ 0.0382484600000000, 0.0516990100000000, 0.0154681400000000 ] - [ -0.0117356800000000, 0.0001664200000000, -0.0002555600000000 ] - [ 0.0018915100000000, -0.0001239900000000, -0.0011528000000000 ] - [ -0.0004570200000000, 0.0010454900000000, -0.0003646600000000 ] - [ 0.0005334400000000, -0.0009528700000000, 0.0001595100000000 ] - [ 0.0007195400000000, 0.0000231200000000, -0.0001508600000000 ] - [ -0.0006087800000000, 0.0000048400000000, 0.0002148700000000 ] - [ -0.0005957900000000, -0.0008565400000000, -0.0001425300000000 ] - [ 0.0006130800000000, 0.0011941300000000, -0.0006900600000000 ] - [ -0.0007558700000000, -0.0000031000000000, -0.0002806000000000 ] - [ 0.0205742100000000, -0.0085626000000000, 0.0088120800000000 ] - [ -0.0131945200000000, 0.0053599700000000, -0.0018208900000000 ] - [ 0.0002486800000000, -0.0009415800000000, -0.0001485500000000 ] - [ 0.0002590700000000, 0.0001159000000000, -0.0000933500000000 ] - [ -0.0001833100000000, -0.0000669000000000, 0.0000628700000000 ] - [ -0.0002598800000000, -0.0009978900000000, 0.0002194200000000 ] - [ 0.0017901700000000, -0.0005457500000000, 0.0005427800000000 ] - [ -0.0001479000000000, 0.0001751300000000, -0.0007460300000000 ] - [ 0.0002490900000000, -0.0028762600000000, -0.0014817200000000 ] - [ -0.0009187400000000, -0.0018950300000000, -0.0018099300000000 ] - [ -0.0009470200000000, -0.0006884700000000, 0.0000394700000000 ] - [ 0.0000377800000000, -0.0000191300000000, 0.0001934700000000 ] - [ -0.0000139200000000, -0.0002569800000000, -0.0000728400000000 ] - [ 0.0013053700000000, -0.0003649400000000, 0.0001925300000000 ] - [ -0.0034297000000000, 0.0035656400000000, -0.0000691600000000 ] - [ 0.0005995500000000, 0.0018910200000000, -0.0013402000000000 ] - [ -0.0003396400000000, -0.0010252800000000, -0.0001838000000000 ] - [ 0.0002294300000000, -0.0002807500000000, -0.0002025500000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008339400000000, -0.0003912200000000, 0.0007875100000000 ] - [ 0.0007623700000000, -0.0001301000000000, 0.0048330000000000 ] - [ 0.0000133000000000, 0.0004548200000000, 0.0000058100000000 ] - [ -0.0000196200000000, -0.0001140400000000, 0.0000058000000000 ] - [ -0.0000820400000000, 0.0000171100000000, 0.0001501500000000 ] - [ 0.0001572800000000, -0.0000398600000000, 0.0000623500000000 ] - [ 0.0001849500000000, 0.0001481200000000, -0.0000806400000000 ] - [ 0.0000664100000000, -0.0000876600000000, -0.0002499100000000 ] - [ 0.0005000900000000, 0.0007342200000000, -0.0010811100000000 ] - [ 0.0001980500000000, -0.0005559300000000, 0.0009808500000000 ] - [ -0.0002221600000000, 0.0000768600000000, -0.0007076300000000 ] - [ -0.0007962400000000, 0.0009551500000000, 0.0009993100000000 ] - [ -0.0004680900000000, -0.0006473900000000, 0.0006863500000000 ] - [ -0.0003560900000000, 0.0003795100000000, -0.0009290000000000 ] - [ -0.0000467700000000, -0.0002888600000000, 0.0006724200000000 ] - [ 0.0008997200000000, -0.0013268000000000, -0.0009379600000000 ] - [ 0.0022138100000000, 0.0032445900000000, -0.0000323100000000 ] - [ -0.0030321500000000, -0.0005432700000000, 0.0010088200000000 ] - [ 0.0008041400000000, 0.0001808900000000, -0.0013321200000000 ] - [ 0.0004014100000000, 0.0006961600000000, -0.0005112200000000 ] - [ 0.0006237400000000, -0.0005992000000000, 0.0001564400000000 ] - [ 0.0003861900000000, 0.0002249200000000, 0.0000168200000000 ] - [ -0.0005041700000000, 0.0001484300000000, -0.0000483300000000 ] - [ -0.0005902800000000, -0.0005778800000000, -0.0002011200000000 ] - [ -0.0000338100000000, 0.0003476700000000, 0.0005688200000000 ] - [ 0.0003295100000000, -0.0001759900000000, -0.0000227600000000 ] - [ -0.0067061000000000, -0.0097795800000000, 0.0061267700000000 ] - [ -0.0129861400000000, -0.0077276800000000, -0.0010306500000000 ] - [ -0.0001459000000000, -0.0004310400000000, -0.0003185300000000 ] - [ -0.0000801900000000, 0.0001377900000000, 0.0002658600000000 ] - [ 0.0001682000000000, 0.0000972000000000, -0.0002620500000000 ] - [ 0.0001550000000000, -0.0004715200000000, 0.0003284400000000 ] - [ 0.0017001000000000, 0.0002106700000000, -0.0015417300000000 ] - [ -0.0004908400000000, 0.0007983400000000, -0.0002391700000000 ] - [ -0.0019941000000000, 0.0070668500000000, -0.0061267600000000 ] - [ -0.0069494800000000, 0.0045462300000000, -0.0016363300000000 ] - [ -0.0004208700000000, 0.0004040300000000, 0.0000664000000000 ] - [ -0.0005066500000000, -0.0007901600000000, -0.0001671400000000 ] - [ 0.0004764500000000, -0.0008930900000000, 0.0001622900000000 ] - [ 0.0004111100000000, 0.0003200300000000, -0.0000430600000000 ] - [ 0.0597109500000000, 0.0569244000000000, 0.0252260400000000 ] - [ -0.0040372100000000, 0.0023175300000000, -0.0004314900000000 ] - [ 0.0002765700000000, -0.0000226600000000, -0.0004697000000000 ] - [ -0.0005751000000000, 0.0009813900000000, -0.0002606200000000 ] - [ -0.0001378800000000, -0.0008688800000000, 0.0001879500000000 ] - [ -0.0000488900000000, 0.0001171700000000, -0.0000736600000000 ] - [ 0.0000487000000000, 0.0000732400000000, 0.0000798100000000 ] - [ 0.0001410300000000, -0.0008017200000000, -0.0001812200000000 ] - [ 0.0010932500000000, 0.0002881600000000, -0.0005218600000000 ] - [ -0.0001893100000000, -0.0001025100000000, -0.0007380400000000 ] - [ 0.0019747800000000, -0.0056977400000000, -0.0047748300000000 ] - [ -0.0028599800000000, -0.0014362800000000, -0.0018408900000000 ] - [ -0.0001715900000000, -0.0007247600000000, -0.0002278800000000 ] - [ -0.0000730200000000, 0.0002583200000000, 0.0004436700000000 ] - [ 0.0000654900000000, 0.0002936600000000, -0.0004101900000000 ] - [ 0.0002417000000000, -0.0006228100000000, 0.0002841600000000 ] - [ 0.0041533500000000, 0.0011002800000000, 0.0007147500000000 ] - [ -0.0014210300000000, 0.0005130700000000, -0.0008946400000000 ] - [ 0.0001806900000000, 0.0005373300000000, -0.0011370500000000 ] - [ -0.0003629300000000, -0.0002642800000000, -0.0009356700000000 ] - [ -0.0001996500000000, 0.0000796000000000, -0.0003245300000000 ] - [ -0.0000761600000000, -0.0003930300000000, 0.0002866600000000 ] - [ 0.0000873700000000, -0.0004469500000000, -0.0002242600000000 ] - [ 0.0002375300000000, 0.0002355300000000, 0.0003327800000000 ] - [ -0.0007311900000000, -0.0004328600000000, -0.0003656500000000 ] - [ 0.0006051500000000, -0.0002847900000000, -0.0001919000000000 ] - [ 0.0000489700000000, -0.0004301400000000, 0.0002572500000000 ] - [ 0.0001646500000000, -0.0005032100000000, 0.0002633900000000 ] - [ -0.0390695300000000, -0.0517401500000000, -0.0158224900000000 ] - [ 0.0105318100000000, -0.0010818300000000, 0.0005416300000000 ] - [ -0.0006765400000000, -0.0007393700000000, 0.0008891100000000 ] - [ 0.0016713700000000, -0.0001885000000000, 0.0006211400000000 ] - [ 0.0006765400000000, 0.0000986300000000, 0.0001032400000000 ] - [ 0.0004922400000000, 0.0008391800000000, -0.0001105400000000 ] - [ -0.0006031000000000, 0.0008553800000000, 0.0000449600000000 ] - [ -0.0006176800000000, 0.0000009200000000, -0.0001197500000000 ] - [ -0.0011181900000000, -0.0001742700000000, 0.0006921700000000 ] - [ 0.0002588300000000, -0.0010266700000000, 0.0002625600000000 ] - [ -0.0197871300000000, 0.0069199200000000, -0.0082911300000000 ] - [ 0.0137160700000000, -0.0043144400000000, 0.0018203200000000 ] - [ 0.0002507900000000, -0.0000754200000000, 0.0001393600000000 ] - [ 0.0002397700000000, 0.0009113000000000, 0.0001042500000000 ] - [ -0.0003161400000000, 0.0010949000000000, -0.0000734000000000 ] - [ -0.0002419400000000, -0.0000248500000000, -0.0002117500000000 ] - [ -0.0006167600000000, 0.0007201200000000, -0.0001846900000000 ] - [ 0.0012984400000000, -0.0003436700000000, 0.0004141800000000 ] - [ -0.0013948100000000, 0.0026832800000000, 0.0018159700000000 ] - [ -0.0002381900000000, 0.0020541600000000, 0.0014677600000000 ] - [ -0.0002133200000000, 0.0005135000000000, -0.0003723100000000 ] - [ -0.0012022800000000, 0.0001956900000000, 0.0001488800000000 ] - [ 0.0011704900000000, 0.0004407400000000, -0.0002726900000000 ] - [ -0.0001456000000000, 0.0001903600000000, 0.0001413100000000 ] - [ 0.0034058700000000, -0.0026661400000000, 0.0000619200000000 ] - [ -0.0005799200000000, -0.0027586800000000, 0.0013456400000000 ] - [ 0.0003342200000000, 0.0001519700000000, 0.0001851000000000 ] - [ -0.0002256100000000, 0.0011585000000000, 0.0002021700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002082100000000, 0.0047104100000000, -0.0001431900000000 ] - [ -0.0006353300000000, 0.0076045800000000, -0.0012213700000000 ] - [ 0.0000053500000000, -0.0014398600000000, 0.0000154800000000 ] - [ -0.0000105900000000, -0.0019167000000000, 0.0000001700000000 ] - [ 0.0004017100000000, -0.0005262200000000, 0.0003217100000000 ] - [ 0.0004425400000000, -0.0005345200000000, -0.0003139600000000 ] - [ 0.0017155400000000, -0.0024376900000000, 0.0009477100000000 ] - [ 0.0021212000000000, -0.0029200900000000, -0.0017774900000000 ] - [ 0.0007577700000000, 0.0030134100000000, -0.0035519600000000 ] - [ -0.0002263400000000, 0.0006308300000000, 0.0003129400000000 ] - [ 0.0001603600000000, 0.0023612600000000, -0.0023434500000000 ] - [ -0.0028620100000000, 0.0032969900000000, -0.0006293500000000 ] - [ -0.0001625300000000, 0.0004858500000000, 0.0014352600000000 ] - [ -0.0017646900000000, 0.0034957300000000, 0.0012792000000000 ] - [ 0.0002313200000000, 0.0025336200000000, 0.0014290100000000 ] - [ -0.0010086100000000, 0.0028037700000000, 0.0005301000000000 ] - [ -0.0074287400000000, 0.0207688700000000, -0.0068498400000000 ] - [ 0.0004999900000000, -0.0003272700000000, -0.0007083900000000 ] - [ 0.0006357200000000, -0.0006389600000000, -0.0015884200000000 ] - [ -0.0004959200000000, -0.0006880600000000, -0.0011819700000000 ] - [ -0.0001578500000000, 0.0016545700000000, 0.0000887300000000 ] - [ 0.0008878100000000, 0.0040585200000000, -0.0004044900000000 ] - [ -0.0012603500000000, 0.0021932600000000, 0.0006730200000000 ] - [ -0.0001496800000000, 0.0014710600000000, 0.0003115700000000 ] - [ 0.0009210600000000, -0.0013177800000000, -0.0005605500000000 ] - [ 0.0005993600000000, -0.0018033200000000, -0.0007380200000000 ] - [ 0.0184476600000000, 0.0071321100000000, -0.0083333300000000 ] - [ 0.0190249600000000, 0.0033425400000000, 0.0012441200000000 ] - [ -0.0000520700000000, 0.0009623700000000, -0.0002742600000000 ] - [ -0.0000584600000000, 0.0015767500000000, 0.0004049200000000 ] - [ 0.0004171800000000, 0.0017765400000000, -0.0003652900000000 ] - [ 0.0002874400000000, 0.0011712100000000, 0.0003501200000000 ] - [ 0.0010954800000000, -0.0026894900000000, -0.0074556600000000 ] - [ -0.0012463800000000, -0.0016777300000000, -0.0024266600000000 ] - [ -0.0085626800000000, 0.0042427100000000, -0.0113078600000000 ] - [ -0.0037218600000000, -0.0035779700000000, -0.0011677100000000 ] - [ -0.0008061500000000, 0.0024109900000000, 0.0005101200000000 ] - [ -0.0001127000000000, 0.0016738300000000, 0.0004586300000000 ] - [ -0.0000760600000000, 0.0015545800000000, -0.0002100900000000 ] - [ 0.0007522600000000, 0.0028669700000000, -0.0003172900000000 ] - [ -0.0531813900000000, -0.3427656300000000, 0.0562479600000000 ] - [ 0.0028574400000000, -0.0114379300000000, 0.0024997900000000 ] - [ -0.0005190700000000, -0.0074429300000000, -0.0012388400000000 ] - [ 0.0004425300000000, -0.0053210700000000, -0.0009523600000000 ] - [ 0.0003262000000000, 0.0033205900000000, -0.0003202300000000 ] - [ -0.0004439800000000, 0.0049782800000000, -0.0006029200000000 ] - [ 0.0004585700000000, 0.0039565200000000, 0.0005211600000000 ] - [ -0.0002596600000000, 0.0031736600000000, 0.0002728800000000 ] - [ 0.0004046700000000, -0.0020209100000000, 0.0062198000000000 ] - [ 0.0005143700000000, -0.0027654800000000, 0.0010558200000000 ] - [ 0.0035631600000000, 0.0087156800000000, 0.0151394300000000 ] - [ 0.0025677500000000, -0.0003394300000000, 0.0017360400000000 ] - [ -0.0001992800000000, 0.0015088300000000, -0.0011555500000000 ] - [ 0.0001361600000000, 0.0028572600000000, -0.0008380000000000 ] - [ -0.0000984400000000, 0.0028165800000000, 0.0005166300000000 ] - [ 0.0005099900000000, 0.0018384800000000, 0.0010172400000000 ] - [ -0.0037237400000000, 0.0238239500000000, 0.0097331200000000 ] - [ 0.0007198400000000, -0.0000653400000000, 0.0023637800000000 ] - [ -0.0003089800000000, -0.0005501700000000, 0.0024853600000000 ] - [ -0.0000509700000000, -0.0016846400000000, 0.0011688900000000 ] - [ -0.0003851400000000, 0.0022697000000000, 0.0003921500000000 ] - [ 0.0004987800000000, 0.0032925700000000, 0.0015753600000000 ] - [ -0.0000349300000000, 0.0016438800000000, -0.0017189300000000 ] - [ 0.0003906400000000, 0.0023130100000000, -0.0008034300000000 ] - [ 0.0020867000000000, 0.0016180000000000, 0.0012894600000000 ] - [ 0.0026540800000000, 0.0007615200000000, 0.0017245400000000 ] - [ 0.0002338700000000, 0.0016122400000000, -0.0006865400000000 ] - [ 0.0003407600000000, 0.0015150500000000, -0.0005955800000000 ] - [ 0.0483050100000000, 0.1452687900000000, 0.0270238200000000 ] - [ -0.0144212600000000, 0.0098236200000000, -0.0032245300000000 ] - [ 0.0012502500000000, 0.0062882200000000, -0.0016742000000000 ] - [ -0.0000865100000000, 0.0060906500000000, 0.0005803700000000 ] - [ 0.0003309000000000, -0.0048165200000000, -0.0006058600000000 ] - [ 0.0001691800000000, -0.0049582000000000, -0.0003479500000000 ] - [ -0.0007806400000000, -0.0035552600000000, 0.0005040800000000 ] - [ -0.0004979000000000, -0.0045461000000000, 0.0007743000000000 ] - [ -0.0032601700000000, 0.0072648700000000, 0.0031707300000000 ] - [ -0.0001038800000000, 0.0049067700000000, 0.0022714600000000 ] - [ -0.0080963200000000, 0.1248784300000000, -0.0676654000000000 ] - [ -0.0071285600000000, 0.0122398200000000, -0.0084221500000000 ] - [ 0.0006829300000000, -0.0047065200000000, -0.0003867900000000 ] - [ -0.0004759100000000, -0.0040168100000000, -0.0008025800000000 ] - [ 0.0001247900000000, -0.0040675800000000, 0.0007725100000000 ] - [ -0.0010711300000000, -0.0059668700000000, -0.0001303700000000 ] - [ -0.0038627100000000, -0.0045007400000000, -0.0152908600000000 ] - [ -0.0010378500000000, 0.0005918600000000, -0.0031218100000000 ] - [ 0.0014759000000000, -0.0078807900000000, -0.0056091800000000 ] - [ -0.0023675900000000, -0.0004648500000000, -0.0025985300000000 ] - [ -0.0008954700000000, -0.0035766100000000, 0.0002311300000000 ] - [ -0.0022479600000000, -0.0060073700000000, 0.0018137400000000 ] - [ 0.0009281200000000, -0.0041597500000000, 0.0014066900000000 ] - [ -0.0001580500000000, -0.0040970000000000, 0.0016492400000000 ] - [ 0.0046720800000000, -0.0041934700000000, 0.0052464800000000 ] - [ 0.0083097600000000, -0.0005008200000000, 0.0127058000000000 ] - [ 0.0013384600000000, -0.0061394800000000, -0.0007076500000000 ] - [ 0.0010070700000000, -0.0041181700000000, -0.0010517100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002043900000000, -0.0053063200000000, 0.0001327000000000 ] - [ 0.0006565400000000, -0.0070126800000000, 0.0012529200000000 ] - [ -0.0000056000000000, 0.0020241900000000, -0.0000146100000000 ] - [ 0.0000102300000000, 0.0013350000000000, -0.0000009600000000 ] - [ -0.0004021400000000, 0.0005255900000000, -0.0003226600000000 ] - [ -0.0004431500000000, 0.0005385900000000, 0.0003095000000000 ] - [ -0.0017106500000000, 0.0024366700000000, -0.0009397700000000 ] - [ -0.0021259900000000, 0.0029272900000000, 0.0017855700000000 ] - [ 0.0000134300000000, -0.0020064600000000, 0.0018687900000000 ] - [ 0.0010029100000000, -0.0016527500000000, 0.0013898300000000 ] - [ -0.0009366900000000, -0.0033887300000000, 0.0006363300000000 ] - [ 0.0021084500000000, -0.0022889900000000, 0.0023396500000000 ] - [ -0.0005934400000000, -0.0014840800000000, 0.0002764600000000 ] - [ 0.0009857300000000, -0.0024715500000000, -0.0029627100000000 ] - [ 0.0005298200000000, -0.0015262400000000, 0.0002777500000000 ] - [ 0.0017803500000000, -0.0038235200000000, -0.0022339100000000 ] - [ 0.0065108700000000, -0.0205574700000000, 0.0068556600000000 ] - [ -0.0015551100000000, -0.0003744800000000, 0.0008075600000000 ] - [ 0.0004277800000000, -0.0000649800000000, 0.0014972100000000 ] - [ 0.0015607600000000, 0.0013928100000000, 0.0012841600000000 ] - [ 0.0012183600000000, -0.0023496100000000, 0.0000132100000000 ] - [ 0.0001726000000000, -0.0033597500000000, 0.0002979200000000 ] - [ 0.0001976800000000, -0.0014967400000000, -0.0005680900000000 ] - [ -0.0009099800000000, -0.0021660800000000, -0.0004140700000000 ] - [ -0.0006687100000000, 0.0018836600000000, 0.0011165700000000 ] - [ -0.0003492600000000, 0.0012430500000000, 0.0001852000000000 ] - [ -0.0185079700000000, -0.0076348900000000, 0.0087005500000000 ] - [ -0.0194725100000000, -0.0028206500000000, -0.0017785500000000 ] - [ -0.0002040300000000, -0.0015218500000000, -0.0002761800000000 ] - [ -0.0001971500000000, -0.0010171200000000, 0.0001526400000000 ] - [ -0.0001661200000000, -0.0012162700000000, -0.0001909600000000 ] - [ -0.0000265700000000, -0.0017322600000000, 0.0002002800000000 ] - [ -0.0001659200000000, 0.0014875400000000, 0.0072411100000000 ] - [ 0.0021811000000000, 0.0029028000000000, 0.0026860100000000 ] - [ 0.0076295500000000, -0.0030860200000000, 0.0110026100000000 ] - [ 0.0027984200000000, 0.0023921700000000, 0.0014197500000000 ] - [ -0.0001221200000000, -0.0011875600000000, -0.0002577900000000 ] - [ -0.0008173500000000, -0.0029013100000000, -0.0007111500000000 ] - [ 0.0010043300000000, -0.0027839900000000, 0.0004629500000000 ] - [ 0.0001754100000000, -0.0016456800000000, 0.0000643700000000 ] - [ 0.0581709500000000, 0.3459006700000000, -0.0494602600000000 ] - [ -0.0026693800000000, 0.0105586200000000, -0.0022475800000000 ] - [ 0.0003265600000000, 0.0065651400000000, 0.0009914100000000 ] - [ -0.0006332800000000, 0.0062208200000000, 0.0012075400000000 ] - [ -0.0005187100000000, -0.0042207100000000, 0.0005726600000000 ] - [ 0.0002526800000000, -0.0040885900000000, 0.0003515200000000 ] - [ -0.0002661500000000, -0.0030637600000000, -0.0002702900000000 ] - [ 0.0004513700000000, -0.0040700500000000, -0.0005259600000000 ] - [ -0.0001348300000000, 0.0029012600000000, -0.0054683700000000 ] - [ -0.0002463600000000, 0.0018567000000000, -0.0017778000000000 ] - [ -0.0039104000000000, -0.0096487200000000, -0.0145990100000000 ] - [ -0.0028278200000000, 0.0012365500000000, -0.0024674200000000 ] - [ -0.0000723700000000, -0.0024110100000000, 0.0004298700000000 ] - [ -0.0004078200000000, -0.0019609100000000, 0.0015660400000000 ] - [ 0.0003696600000000, -0.0019142000000000, -0.0012375300000000 ] - [ -0.0002394600000000, -0.0027413100000000, -0.0002924000000000 ] - [ 0.0038692100000000, -0.0240208700000000, -0.0090975100000000 ] - [ -0.0004112000000000, 0.0007557700000000, -0.0028945200000000 ] - [ 0.0000093000000000, 0.0012438200000000, -0.0019921700000000 ] - [ -0.0002547900000000, 0.0009889100000000, -0.0016775500000000 ] - [ 0.0000817500000000, -0.0015816700000000, -0.0009022100000000 ] - [ -0.0008010200000000, -0.0039907300000000, -0.0010733500000000 ] - [ 0.0003384800000000, -0.0023343000000000, 0.0012090400000000 ] - [ -0.0000861700000000, -0.0016258800000000, 0.0013176100000000 ] - [ -0.0021141900000000, -0.0016454300000000, -0.0012899200000000 ] - [ -0.0026237800000000, -0.0007334500000000, -0.0017162500000000 ] - [ -0.0002428600000000, -0.0015833800000000, 0.0006871800000000 ] - [ -0.0003439300000000, -0.0015506400000000, 0.0005960200000000 ] - [ -0.0535659800000000, -0.1529247400000000, -0.0293640700000000 ] - [ 0.0132165700000000, -0.0106555200000000, 0.0034813600000000 ] - [ -0.0000320800000000, -0.0071603300000000, 0.0014015300000000 ] - [ 0.0012986700000000, -0.0052372800000000, -0.0003165800000000 ] - [ 0.0008796500000000, 0.0039568400000000, 0.0008690700000000 ] - [ 0.0010428600000000, 0.0058224300000000, 0.0000915000000000 ] - [ -0.0004303100000000, 0.0044186600000000, -0.0002466900000000 ] - [ -0.0007143000000000, 0.0036840000000000, -0.0010390900000000 ] - [ 0.0027701000000000, -0.0062556100000000, -0.0031605700000000 ] - [ -0.0003967500000000, -0.0059303600000000, -0.0022941600000000 ] - [ 0.0079779000000000, -0.1196198300000000, 0.0629198600000000 ] - [ 0.0076269600000000, -0.0112579600000000, 0.0084203700000000 ] - [ -0.0001831100000000, 0.0036858900000000, 0.0003741000000000 ] - [ 0.0009736600000000, 0.0050462400000000, 0.0008100500000000 ] - [ -0.0006227000000000, 0.0050981200000000, -0.0007815300000000 ] - [ 0.0005729600000000, 0.0049470300000000, 0.0001426400000000 ] - [ 0.0049949700000000, 0.0046844900000000, 0.0155520200000000 ] - [ 0.0021945300000000, -0.0007746100000000, 0.0027797100000000 ] - [ -0.0026277500000000, 0.0077130400000000, 0.0059489800000000 ] - [ 0.0012043900000000, 0.0006535000000000, 0.0022652700000000 ] - [ -0.0002627800000000, 0.0034112200000000, -0.0005633800000000 ] - [ 0.0011022200000000, 0.0061996600000000, -0.0014804300000000 ] - [ 0.0002266100000000, 0.0043378700000000, -0.0017520400000000 ] - [ 0.0013177400000000, 0.0039330900000000, -0.0013198400000000 ] - [ -0.0047082900000000, 0.0051155600000000, -0.0052636600000000 ] - [ -0.0083669200000000, -0.0004010300000000, -0.0127652800000000 ] - [ -0.0013327900000000, 0.0052597900000000, 0.0007081900000000 ] - [ -0.0010096900000000, 0.0049958400000000, 0.0010580700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012881800000000, -0.0010824500000000, -0.0012194100000000 ] - [ -0.0044996600000000, -0.0007017300000000, -0.0029421500000000 ] - [ 0.0000066700000000, 0.0005002800000000, 0.0000046000000000 ] - [ 0.0000236900000000, -0.0000779400000000, -0.0000241900000000 ] - [ 0.0000624200000000, 0.0001788600000000, -0.0004384100000000 ] - [ -0.0000703400000000, 0.0001149000000000, -0.0003884000000000 ] - [ 0.0002194000000000, 0.0002180200000000, 0.0006672500000000 ] - [ -0.0003404400000000, 0.0005929200000000, 0.0008488000000000 ] - [ 0.0000632300000000, -0.0006809700000000, -0.0005059400000000 ] - [ 0.0005639400000000, -0.0009489600000000, 0.0012044300000000 ] - [ -0.0008992200000000, -0.0024513600000000, -0.0007027500000000 ] - [ 0.0002233500000000, -0.0005393300000000, 0.0010417800000000 ] - [ -0.0002328000000000, -0.0005670400000000, 0.0009741500000000 ] - [ -0.0007856900000000, 0.0011129000000000, -0.0007924400000000 ] - [ 0.0004367400000000, 0.0006650700000000, 0.0006572000000000 ] - [ -0.0004513400000000, 0.0005526000000000, -0.0008742600000000 ] - [ 0.0006137500000000, -0.0066057300000000, -0.0023224300000000 ] - [ -0.0003261000000000, -0.0008858900000000, -0.0010353900000000 ] - [ -0.0004775700000000, -0.0005614000000000, 0.0030678900000000 ] - [ 0.0013725900000000, 0.0000386300000000, 0.0010458800000000 ] - [ 0.0004532300000000, -0.0004309200000000, -0.0002442500000000 ] - [ 0.0005806000000000, 0.0003924100000000, -0.0003742000000000 ] - [ -0.0005978800000000, 0.0003231200000000, 0.0002513200000000 ] - [ -0.0005027700000000, -0.0003861400000000, 0.0002379400000000 ] - [ -0.0005090300000000, 0.0001632000000000, 0.0012984600000000 ] - [ 0.0005967700000000, -0.0001091400000000, 0.0010038700000000 ] - [ -0.0081919100000000, -0.0065507000000000, -0.0007175300000000 ] - [ -0.0043353000000000, -0.0016545700000000, -0.0042322000000000 ] - [ -0.0000890400000000, -0.0003379200000000, -0.0001349100000000 ] - [ -0.0001722400000000, 0.0001904700000000, 0.0003937700000000 ] - [ 0.0001641900000000, 0.0001570300000000, -0.0004183000000000 ] - [ 0.0000773600000000, -0.0003636200000000, 0.0001172000000000 ] - [ 0.0009119700000000, -0.0048266400000000, 0.0071146600000000 ] - [ 0.0021964900000000, 0.0010434100000000, 0.0023762200000000 ] - [ 0.0081441800000000, -0.0105255700000000, 0.0091017800000000 ] - [ 0.0028976600000000, -0.0022221100000000, -0.0004440400000000 ] - [ -0.0004647300000000, 0.0004626800000000, 0.0001764000000000 ] - [ -0.0004471400000000, -0.0006885400000000, -0.0000537500000000 ] - [ 0.0004460300000000, -0.0007428700000000, 0.0000525700000000 ] - [ 0.0004732600000000, 0.0005803000000000, -0.0002260500000000 ] - [ -0.0255348500000000, 0.0518349000000000, -0.1012517000000000 ] - [ -0.0004593300000000, 0.0019138700000000, -0.0015191600000000 ] - [ -0.0004392500000000, 0.0006606500000000, 0.0018254800000000 ] - [ 0.0002953500000000, 0.0015168200000000, 0.0013761600000000 ] - [ -0.0001559400000000, -0.0008931100000000, 0.0000747900000000 ] - [ -0.0000362600000000, -0.0000242300000000, -0.0002126500000000 ] - [ 0.0000505400000000, 0.0000528500000000, 0.0001847000000000 ] - [ 0.0001445200000000, -0.0008422200000000, -0.0000605300000000 ] - [ -0.0001405800000000, 0.0031708300000000, 0.0042178800000000 ] - [ 0.0004812800000000, -0.0003779600000000, 0.0006782700000000 ] - [ 0.0023636400000000, 0.0118649800000000, 0.0073081300000000 ] - [ 0.0006638200000000, 0.0015978300000000, -0.0024705000000000 ] - [ -0.0001652100000000, -0.0008882400000000, -0.0000103700000000 ] - [ -0.0002082800000000, -0.0000574600000000, 0.0007571100000000 ] - [ 0.0001989200000000, -0.0000446300000000, -0.0007063100000000 ] - [ 0.0000358600000000, -0.0010608300000000, -0.0000257200000000 ] - [ -0.0004352200000000, 0.0038061200000000, -0.0038370100000000 ] - [ 0.0000005100000000, 0.0000879800000000, -0.0018977000000000 ] - [ -0.0007066700000000, -0.0002691800000000, 0.0034642500000000 ] - [ -0.0000927900000000, -0.0002765400000000, 0.0003239700000000 ] - [ -0.0001305900000000, -0.0001589700000000, -0.0006402100000000 ] - [ -0.0002971200000000, -0.0011085500000000, -0.0003053300000000 ] - [ 0.0002124400000000, -0.0008238600000000, 0.0002404900000000 ] - [ 0.0001277600000000, -0.0001387700000000, 0.0008537000000000 ] - [ 0.0015592900000000, 0.0011630000000000, 0.0006258100000000 ] - [ 0.0004830000000000, 0.0004113800000000, -0.0002117500000000 ] - [ -0.0000346100000000, -0.0003525800000000, 0.0000653700000000 ] - [ -0.0001432800000000, -0.0005481100000000, 0.0002750800000000 ] - [ 0.0158772000000000, 0.0296221400000000, 0.0272740200000000 ] - [ 0.0041555900000000, -0.0033717200000000, 0.0056854500000000 ] - [ 0.0015151800000000, -0.0016834500000000, -0.0051755900000000 ] - [ 0.0005872300000000, -0.0002291800000000, -0.0019378600000000 ] - [ 0.0006564200000000, -0.0000187600000000, 0.0006004400000000 ] - [ 0.0004507100000000, 0.0008528000000000, 0.0004487700000000 ] - [ -0.0005154600000000, 0.0007693200000000, -0.0002881200000000 ] - [ -0.0006724700000000, -0.0000791700000000, -0.0006402600000000 ] - [ 0.0019126100000000, 0.0011468200000000, -0.0057450500000000 ] - [ -0.0010745700000000, -0.0014018300000000, -0.0025992500000000 ] - [ 0.0086050500000000, -0.0655430700000000, 0.0640678600000000 ] - [ 0.0006198100000000, -0.0017019600000000, 0.0050178200000000 ] - [ 0.0001115200000000, 0.0000218900000000, -0.0003441200000000 ] - [ 0.0003302000000000, 0.0010403400000000, -0.0003726900000000 ] - [ -0.0003013900000000, 0.0011233100000000, 0.0003554900000000 ] - [ -0.0001413700000000, 0.0001214200000000, 0.0005553300000000 ] - [ 0.0006813400000000, -0.0035168100000000, 0.0005999200000000 ] - [ -0.0010189600000000, 0.0003219700000000, 0.0001882100000000 ] - [ 0.0014658000000000, -0.0053790600000000, -0.0032396400000000 ] - [ -0.0010172400000000, -0.0004028800000000, -0.0001880600000000 ] - [ -0.0004461800000000, 0.0010440500000000, -0.0003240300000000 ] - [ -0.0000975500000000, 0.0015395500000000, 0.0001008100000000 ] - [ 0.0003212300000000, 0.0012686800000000, -0.0005163600000000 ] - [ 0.0009487800000000, 0.0012728000000000, -0.0005261600000000 ] - [ -0.0044163300000000, 0.0066161200000000, -0.0038813100000000 ] - [ -0.0025235600000000, 0.0035140800000000, -0.0017089300000000 ] - [ 0.0001605400000000, -0.0006679700000000, 0.0001436900000000 ] - [ 0.0003427500000000, 0.0001593100000000, -0.0002178100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012964800000000, 0.0005122500000000, 0.0012209200000000 ] - [ 0.0045964600000000, 0.0012946000000000, 0.0030507500000000 ] - [ -0.0000064400000000, 0.0000788400000000, -0.0000036400000000 ] - [ -0.0000238300000000, -0.0005060200000000, 0.0000224700000000 ] - [ -0.0000617500000000, -0.0001787200000000, 0.0004405800000000 ] - [ 0.0000708300000000, -0.0001174800000000, 0.0003898100000000 ] - [ -0.0002209800000000, -0.0002196400000000, -0.0006703400000000 ] - [ 0.0003452200000000, -0.0006000800000000, -0.0008553100000000 ] - [ 0.0006966500000000, 0.0016936400000000, -0.0012123100000000 ] - [ 0.0001964300000000, -0.0000572700000000, 0.0005053500000000 ] - [ 0.0001458300000000, 0.0014619000000000, -0.0010094400000000 ] - [ -0.0009953700000000, 0.0015634400000000, 0.0006578700000000 ] - [ -0.0005175200000000, -0.0004322500000000, 0.0007450400000000 ] - [ 0.0000300100000000, -0.0001045300000000, -0.0009254700000000 ] - [ 0.0003222000000000, 0.0003445300000000, 0.0010566500000000 ] - [ 0.0012148100000000, -0.0015637500000000, -0.0008343300000000 ] - [ -0.0016866300000000, 0.0073069700000000, 0.0021727400000000 ] - [ -0.0007491200000000, 0.0001909700000000, 0.0011461000000000 ] - [ 0.0015527100000000, -0.0001397000000000, -0.0031869000000000 ] - [ -0.0003002900000000, 0.0006639800000000, -0.0009407300000000 ] - [ 0.0006192300000000, -0.0002700900000000, 0.0003521500000000 ] - [ 0.0004898600000000, 0.0003075800000000, 0.0002694000000000 ] - [ -0.0004719200000000, 0.0003823500000000, -0.0001456200000000 ] - [ -0.0005754900000000, -0.0003249900000000, -0.0003503100000000 ] - [ 0.0007582000000000, 0.0003857300000000, -0.0007377300000000 ] - [ -0.0003434700000000, -0.0004425400000000, -0.0015670900000000 ] - [ 0.0080363000000000, 0.0060845800000000, 0.0012469400000000 ] - [ 0.0041471500000000, 0.0022338300000000, 0.0036645200000000 ] - [ -0.0001531300000000, -0.0002134800000000, -0.0004355100000000 ] - [ -0.0000845500000000, 0.0003633100000000, 0.0001681500000000 ] - [ 0.0000916700000000, 0.0003981700000000, -0.0001471100000000 ] - [ 0.0001699100000000, -0.0001870200000000, 0.0004462700000000 ] - [ 0.0000282600000000, 0.0035443000000000, -0.0073025500000000 ] - [ -0.0012875300000000, 0.0001833400000000, -0.0021446200000000 ] - [ -0.0092027800000000, 0.0119111200000000, -0.0095026300000000 ] - [ -0.0038049800000000, 0.0009823700000000, 0.0006734500000000 ] - [ -0.0004538900000000, 0.0007729300000000, 0.0000616000000000 ] - [ -0.0004688700000000, -0.0005409900000000, -0.0001849000000000 ] - [ 0.0004717200000000, -0.0004885800000000, 0.0001851000000000 ] - [ 0.0004443100000000, 0.0006551200000000, -0.0000127300000000 ] - [ 0.0256153500000000, -0.0538697900000000, 0.1009209700000000 ] - [ 0.0006576900000000, -0.0028304400000000, 0.0017917100000000 ] - [ 0.0002462800000000, -0.0015654700000000, -0.0020934200000000 ] - [ -0.0004828900000000, -0.0006427200000000, -0.0011217000000000 ] - [ -0.0000316900000000, 0.0000102300000000, 0.0001872500000000 ] - [ -0.0001562300000000, 0.0009226000000000, -0.0000469700000000 ] - [ 0.0001410200000000, 0.0008453300000000, 0.0000777600000000 ] - [ 0.0000421600000000, -0.0000356700000000, -0.0002038000000000 ] - [ 0.0004150100000000, -0.0022339900000000, -0.0034656400000000 ] - [ -0.0002096900000000, -0.0005450200000000, -0.0014057200000000 ] - [ -0.0026857800000000, -0.0128902600000000, -0.0066241400000000 ] - [ -0.0009348700000000, -0.0006885800000000, 0.0017442000000000 ] - [ -0.0001099300000000, -0.0000159500000000, -0.0007243600000000 ] - [ -0.0000680100000000, 0.0009649100000000, -0.0000096100000000 ] - [ 0.0000794600000000, 0.0009451900000000, -0.0000383500000000 ] - [ 0.0002410800000000, 0.0001542600000000, 0.0007593500000000 ] - [ 0.0007116500000000, -0.0044619600000000, 0.0043637800000000 ] - [ 0.0003200600000000, 0.0005982700000000, 0.0013890100000000 ] - [ 0.0003933100000000, 0.0009550300000000, -0.0029560000000000 ] - [ -0.0002202700000000, -0.0004090700000000, -0.0008428900000000 ] - [ -0.0001833200000000, 0.0008549800000000, 0.0001365400000000 ] - [ -0.0000130800000000, 0.0004234800000000, 0.0008105200000000 ] - [ 0.0000990700000000, 0.0001304000000000, -0.0007361300000000 ] - [ 0.0001869800000000, 0.0008327500000000, -0.0003452100000000 ] - [ -0.0015792200000000, -0.0011916800000000, -0.0006273700000000 ] - [ -0.0004844400000000, -0.0003875200000000, 0.0002104500000000 ] - [ 0.0000431900000000, 0.0003904400000000, -0.0000677600000000 ] - [ 0.0001359100000000, 0.0005243600000000, -0.0002755500000000 ] - [ -0.0168934900000000, -0.0283698400000000, -0.0269404600000000 ] - [ -0.0053812100000000, 0.0025439800000000, -0.0054318400000000 ] - [ -0.0003036200000000, 0.0008362300000000, 0.0049201000000000 ] - [ 0.0006251500000000, 0.0011042200000000, 0.0022028800000000 ] - [ 0.0005569400000000, -0.0008496900000000, -0.0003387300000000 ] - [ 0.0007630600000000, -0.0000016800000000, -0.0007140400000000 ] - [ -0.0006969400000000, 0.0000852100000000, 0.0005517400000000 ] - [ -0.0005397600000000, -0.0007876500000000, 0.0003810500000000 ] - [ -0.0024153500000000, -0.0001101400000000, 0.0057653700000000 ] - [ 0.0005777900000000, 0.0003807300000000, 0.0025990500000000 ] - [ -0.0082458600000000, 0.0668969200000000, -0.0644765300000000 ] - [ -0.0001661300000000, 0.0027509200000000, -0.0050607100000000 ] - [ 0.0003860400000000, -0.0010488200000000, 0.0003359900000000 ] - [ 0.0001671100000000, -0.0000231400000000, 0.0003837900000000 ] - [ -0.0001957000000000, -0.0001065200000000, -0.0003657600000000 ] - [ -0.0003592700000000, -0.0011510500000000, -0.0005497000000000 ] - [ 0.0004830200000000, 0.0036876300000000, -0.0002514400000000 ] - [ 0.0021825300000000, -0.0004979200000000, -0.0005439100000000 ] - [ -0.0026244100000000, 0.0052003500000000, 0.0035766200000000 ] - [ -0.0001441000000000, 0.0005754700000000, -0.0001444400000000 ] - [ -0.0007129700000000, -0.0012289100000000, -0.0000124300000000 ] - [ -0.0010654900000000, -0.0013752100000000, 0.0002471600000000 ] - [ 0.0008432600000000, -0.0011036400000000, 0.0001780300000000 ] - [ 0.0002082600000000, -0.0014596700000000, 0.0008643300000000 ] - [ 0.0044354100000000, -0.0057752300000000, 0.0038964600000000 ] - [ 0.0025360900000000, -0.0043842900000000, 0.0017380200000000 ] - [ -0.0001613100000000, -0.0002126000000000, -0.0001416500000000 ] - [ -0.0003435500000000, 0.0007115400000000, 0.0002175400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005817000000000, -0.0003779700000000, 0.0002437800000000 ] - [ 0.0007234900000000, 0.0040222000000000, 0.0023364400000000 ] - [ -0.0001537500000000, 0.0004950300000000, -0.0001164900000000 ] - [ 0.0000585900000000, -0.0001990900000000, 0.0000344700000000 ] - [ 0.0001100800000000, 0.0001117300000000, -0.0000910400000000 ] - [ -0.0015304800000000, 0.0006552500000000, 0.0004512500000000 ] - [ -0.0006038300000000, -0.0000396300000000, 0.0001221600000000 ] - [ 0.0000419100000000, 0.0001054300000000, 0.0000348100000000 ] - [ 0.0002193500000000, 0.0001371000000000, -0.0008574400000000 ] - [ 0.0015265900000000, -0.0006270900000000, 0.0006305700000000 ] - [ -0.0003874800000000, -0.0014913400000000, -0.0020105100000000 ] - [ -0.0002930100000000, 0.0001663500000000, 0.0008323300000000 ] - [ -0.0005003000000000, -0.0007383300000000, 0.0008626800000000 ] - [ 0.0029487400000000, -0.0098776300000000, 0.0022406200000000 ] - [ 0.0031289300000000, 0.0019181800000000, 0.0010044800000000 ] - [ 0.0003810300000000, -0.0005885900000000, -0.0008967600000000 ] - [ -0.0006936900000000, 0.0002892200000000, -0.0002374700000000 ] - [ 0.0003899700000000, 0.0001890500000000, -0.0008179600000000 ] - [ 0.0038679900000000, -0.0022641700000000, -0.0103924100000000 ] - [ 0.0004853300000000, -0.0001582600000000, 0.0000184000000000 ] - [ 0.0005380100000000, -0.0004685800000000, 0.0000461400000000 ] - [ 0.0002969900000000, -0.0001433600000000, 0.0007636500000000 ] - [ 0.0006850800000000, 0.0001215200000000, -0.0001483100000000 ] - [ -0.0006012100000000, -0.0004766900000000, -0.0000864600000000 ] - [ 0.0011185500000000, 0.0004752500000000, 0.0002365500000000 ] - [ 0.0033340800000000, -0.0011357900000000, 0.0102635500000000 ] - [ -0.0013934500000000, -0.0000998700000000, 0.0003619400000000 ] - [ 0.0001781200000000, 0.0003079300000000, -0.0002193500000000 ] - [ -0.0000704100000000, -0.0003757400000000, -0.0002817300000000 ] - [ -0.0004168100000000, 0.0004866000000000, 0.0004234000000000 ] - [ -0.0001184600000000, 0.0006407400000000, -0.0005205200000000 ] - [ 0.0001671300000000, -0.0003492900000000, 0.0002730500000000 ] - [ -0.0006345200000000, -0.0016698200000000, 0.0003477700000000 ] - [ 0.0030764700000000, 0.0013860600000000, 0.0010000900000000 ] - [ -0.0005647800000000, 0.0014266400000000, -0.0007943100000000 ] - [ -0.0001942000000000, -0.0014196500000000, -0.0002673300000000 ] - [ -0.0004585000000000, 0.0004715100000000, 0.0000850200000000 ] - [ -0.0005867400000000, -0.0022392100000000, -0.0003301600000000 ] - [ 0.0007559000000000, -0.0005479000000000, 0.0002891300000000 ] - [ 0.0004318600000000, 0.0004851900000000, -0.0001317500000000 ] - [ -0.0008621900000000, 0.0007064900000000, -0.0004060500000000 ] - [ 0.0004249200000000, -0.0008220500000000, -0.0002193400000000 ] - [ -0.0021949300000000, 0.0032903300000000, -0.0026396100000000 ] - [ 0.0026379500000000, -0.0022653100000000, 0.0009343500000000 ] - [ -0.0000603800000000, -0.0005022500000000, 0.0000999200000000 ] - [ -0.0001616400000000, 0.0001660700000000, -0.0000556900000000 ] - [ 0.0001698900000000, 0.0002101400000000, 0.0000664200000000 ] - [ -0.0000066300000000, -0.0008168000000000, -0.0002285700000000 ] - [ -0.0398281300000000, 0.0158239800000000, 0.0096824300000000 ] - [ 0.0004128200000000, -0.0009798400000000, 0.0000727300000000 ] - [ -0.0001268300000000, -0.0004187400000000, 0.0001007200000000 ] - [ 0.0028188800000000, 0.0004991000000000, -0.0037688400000000 ] - [ -0.0000514700000000, -0.0005219500000000, -0.0004535000000000 ] - [ -0.0001716300000000, 0.0001751900000000, 0.0004720100000000 ] - [ 0.0001875900000000, 0.0003171400000000, -0.0004062300000000 ] - [ -0.0001797300000000, -0.0006963900000000, 0.0002325400000000 ] - [ -0.0028558900000000, -0.0004215500000000, 0.0045007500000000 ] - [ 0.0001878200000000, 0.0000988500000000, -0.0004179000000000 ] - [ -0.0002911900000000, 0.0008750000000000, 0.0003123700000000 ] - [ 0.0036465900000000, 0.0001559900000000, -0.0000156900000000 ] - [ -0.0000141600000000, 0.0003436900000000, -0.0004280400000000 ] - [ -0.0001840100000000, -0.0005026900000000, 0.0001781700000000 ] - [ 0.0001947600000000, -0.0005394900000000, -0.0001404200000000 ] - [ -0.0002168900000000, -0.0000881100000000, 0.0000176200000000 ] - [ 0.0001960800000000, -0.0001223500000000, -0.0000080600000000 ] - [ 0.0031572600000000, 0.0092222400000000, -0.0056591000000000 ] - [ 0.0000386600000000, -0.0000954900000000, 0.0000156900000000 ] - [ -0.0003663300000000, 0.0002855700000000, 0.0000699800000000 ] - [ -0.0004942200000000, 0.0002599900000000, -0.0000167200000000 ] - [ -0.0010761900000000, -0.0003348100000000, 0.0029261600000000 ] - [ 0.0227316100000000, -0.0025849200000000, -0.0130023900000000 ] - [ -0.0009695700000000, 0.0026567500000000, -0.0000423700000000 ] - [ 0.0005533100000000, -0.0002607200000000, 0.0001779100000000 ] - [ 0.0015093500000000, 0.0008220700000000, 0.0000397600000000 ] - [ -0.0009619600000000, 0.0005482000000000, 0.0000747000000000 ] - [ -0.0006683000000000, 0.0000004400000000, -0.0001441700000000 ] - [ 0.0008330500000000, -0.0022863300000000, -0.0019110600000000 ] - [ -0.0098337300000000, 0.0002384000000000, -0.0019184200000000 ] - [ 0.0028644100000000, -0.0025670000000000, -0.0007237100000000 ] - [ -0.0003820500000000, 0.0009805300000000, 0.0002100900000000 ] - [ 0.0001538200000000, -0.0001783200000000, 0.0000036500000000 ] - [ 0.0015305000000000, 0.0012638200000000, 0.0005952000000000 ] - [ -0.0006158400000000, 0.0002812200000000, 0.0001435400000000 ] - [ -0.0002453700000000, -0.0002044400000000, -0.0000199200000000 ] - [ 0.0224579100000000, -0.0119037600000000, 0.0040932600000000 ] - [ 0.0005397700000000, 0.0004408200000000, -0.0001724100000000 ] - [ -0.0007750300000000, -0.0002005500000000, 0.0004521900000000 ] - [ -0.0103615800000000, -0.0018334200000000, 0.0013857200000000 ] - [ -0.0008796900000000, -0.0002862300000000, 0.0000974400000000 ] - [ -0.0004775400000000, 0.0004764300000000, 0.0001848700000000 ] - [ 0.0004169100000000, 0.0004468200000000, -0.0002451700000000 ] - [ 0.0020529900000000, 0.0007385500000000, 0.0004188500000000 ] - [ -0.0050053500000000, -0.0013831700000000, 0.0036931500000000 ] - [ 0.0003010100000000, 0.0004386900000000, 0.0001991500000000 ] - [ -0.0045105900000000, 0.0017042900000000, -0.0031435400000000 ] - [ 0.0001303200000000, 0.0007468500000000, 0.0000333300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005788800000000, -0.0002066600000000, -0.0002427700000000 ] - [ -0.0006494100000000, -0.0035189200000000, -0.0023848000000000 ] - [ 0.0001531600000000, 0.0000899300000000, 0.0001174800000000 ] - [ -0.0000586500000000, -0.0003825000000000, -0.0000359600000000 ] - [ -0.0001097200000000, -0.0001104500000000, 0.0000898800000000 ] - [ 0.0015269400000000, -0.0006641700000000, -0.0004559500000000 ] - [ 0.0006000800000000, 0.0000398300000000, -0.0001216800000000 ] - [ -0.0000416500000000, -0.0001048800000000, -0.0000350500000000 ] - [ 0.0005366500000000, 0.0008646400000000, -0.0008583700000000 ] - [ -0.0007574000000000, -0.0003848000000000, 0.0010768400000000 ] - [ -0.0003780200000000, 0.0004771200000000, 0.0003031000000000 ] - [ -0.0004640100000000, 0.0008369200000000, 0.0008824400000000 ] - [ -0.0002540100000000, -0.0002633400000000, 0.0008554000000000 ] - [ -0.0036821300000000, 0.0109315900000000, -0.0039448700000000 ] - [ -0.0023656400000000, -0.0008982100000000, 0.0007061300000000 ] - [ 0.0003850100000000, -0.0004257200000000, -0.0008116500000000 ] - [ -0.0003745700000000, 0.0004120800000000, 0.0001314300000000 ] - [ -0.0014471900000000, -0.0008797700000000, 0.0009133400000000 ] - [ -0.0027750600000000, 0.0015986800000000, 0.0103262500000000 ] - [ 0.0005814300000000, 0.0008547100000000, 0.0000855200000000 ] - [ 0.0005261900000000, -0.0002341100000000, 0.0000560300000000 ] - [ 0.0007671500000000, 0.0008394900000000, -0.0008648200000000 ] - [ -0.0017471100000000, 0.0005736600000000, 0.0002503400000000 ] - [ -0.0004587500000000, -0.0002174800000000, -0.0000143900000000 ] - [ -0.0008691700000000, 0.0000712000000000, 0.0003261100000000 ] - [ -0.0031163200000000, 0.0006027400000000, -0.0107258600000000 ] - [ 0.0011391900000000, -0.0004493200000000, 0.0001921400000000 ] - [ -0.0004208600000000, 0.0002407300000000, -0.0003424100000000 ] - [ -0.0001861400000000, -0.0001744700000000, -0.0002760700000000 ] - [ 0.0001535800000000, 0.0000636200000000, 0.0001353800000000 ] - [ 0.0003675800000000, -0.0000888400000000, -0.0000393500000000 ] - [ 0.0000806600000000, -0.0002044600000000, 0.0002904300000000 ] - [ 0.0015576800000000, 0.0004407300000000, -0.0005983800000000 ] - [ -0.0021494000000000, -0.0001516700000000, -0.0007450900000000 ] - [ -0.0003635200000000, -0.0001927600000000, 0.0005377800000000 ] - [ -0.0007338700000000, 0.0001836400000000, 0.0005156700000000 ] - [ -0.0004703000000000, 0.0007588200000000, 0.0001651100000000 ] - [ -0.0003368500000000, 0.0010066600000000, 0.0000849600000000 ] - [ 0.0001714700000000, -0.0006815700000000, -0.0000364900000000 ] - [ 0.0004953100000000, 0.0007465100000000, -0.0001177300000000 ] - [ 0.0010526900000000, 0.0001822300000000, 0.0001483400000000 ] - [ -0.0002312200000000, -0.0000656300000000, 0.0004722300000000 ] - [ 0.0020007500000000, -0.0041876900000000, 0.0024066900000000 ] - [ -0.0028184500000000, 0.0031345500000000, -0.0006616300000000 ] - [ -0.0001299100000000, -0.0003837100000000, 0.0001596000000000 ] - [ -0.0000300300000000, 0.0007177600000000, -0.0002025900000000 ] - [ 0.0000246700000000, 0.0006812900000000, 0.0001891000000000 ] - [ 0.0002015800000000, -0.0000854700000000, -0.0000311600000000 ] - [ 0.0394866200000000, -0.0143158600000000, -0.0085553700000000 ] - [ -0.0001369300000000, 0.0000517200000000, -0.0007953600000000 ] - [ -0.0001498400000000, -0.0004925800000000, 0.0006365400000000 ] - [ -0.0030791200000000, 0.0004221700000000, 0.0030077200000000 ] - [ -0.0002234800000000, -0.0003917900000000, -0.0002748100000000 ] - [ -0.0001050400000000, 0.0007428200000000, 0.0002531300000000 ] - [ 0.0000879500000000, 0.0005989700000000, -0.0003280700000000 ] - [ 0.0004557900000000, -0.0002136800000000, 0.0005025000000000 ] - [ 0.0031578300000000, -0.0002449300000000, -0.0040055200000000 ] - [ 0.0001257800000000, 0.0005770200000000, -0.0001093000000000 ] - [ -0.0000204600000000, -0.0001892300000000, 0.0001992200000000 ] - [ -0.0039536700000000, -0.0008258100000000, -0.0004866400000000 ] - [ -0.0002964000000000, 0.0003408700000000, -0.0000844700000000 ] - [ -0.0001313100000000, -0.0001831100000000, 0.0003366100000000 ] - [ 0.0001209800000000, -0.0001447200000000, -0.0003786700000000 ] - [ 0.0005292000000000, 0.0007767100000000, 0.0004875300000000 ] - [ -0.0002140000000000, 0.0001023100000000, 0.0000070100000000 ] - [ -0.0031916800000000, -0.0091060600000000, 0.0056307600000000 ] - [ -0.0000393300000000, 0.0001089100000000, -0.0000145900000000 ] - [ 0.0003671400000000, -0.0003070100000000, -0.0000718900000000 ] - [ -0.0007188000000000, 0.0005987900000000, -0.0002411400000000 ] - [ -0.0001343300000000, -0.0005227400000000, -0.0026455900000000 ] - [ -0.0212515000000000, 0.0016504200000000, 0.0121008300000000 ] - [ 0.0021811000000000, -0.0017838500000000, 0.0002994500000000 ] - [ 0.0006580600000000, -0.0005944400000000, 0.0000822000000000 ] - [ -0.0002957900000000, 0.0000395100000000, -0.0003011000000000 ] - [ -0.0002503100000000, 0.0003104200000000, 0.0001861000000000 ] - [ -0.0005458700000000, -0.0008573100000000, -0.0001198200000000 ] - [ -0.0013338100000000, 0.0032976100000000, 0.0019068200000000 ] - [ 0.0093493000000000, -0.0012573700000000, 0.0018321900000000 ] - [ -0.0023564400000000, 0.0015269900000000, 0.0007319600000000 ] - [ 0.0008797900000000, 0.0000450300000000, -0.0002129800000000 ] - [ 0.0003456600000000, -0.0008372700000000, -0.0000111600000000 ] - [ -0.0010315300000000, -0.0002367800000000, -0.0005840500000000 ] - [ 0.0001201800000000, 0.0007458400000000, -0.0001542000000000 ] - [ -0.0002523700000000, -0.0008130200000000, 0.0000249300000000 ] - [ -0.0210260100000000, 0.0114958700000000, -0.0035333900000000 ] - [ 0.0006209100000000, -0.0006169400000000, -0.0001722200000000 ] - [ -0.0003844900000000, 0.0000227400000000, -0.0001079300000000 ] - [ 0.0092093600000000, 0.0019421700000000, -0.0016780900000000 ] - [ -0.0002796600000000, 0.0001073100000000, -0.0004327400000000 ] - [ -0.0006808600000000, -0.0002941100000000, 0.0001604600000000 ] - [ 0.0007416300000000, -0.0002633300000000, -0.0000976900000000 ] - [ -0.0008886900000000, -0.0009146200000000, -0.0000862300000000 ] - [ 0.0049865600000000, 0.0022553000000000, -0.0036742100000000 ] - [ -0.0002981300000000, -0.0013103800000000, -0.0001995000000000 ] - [ 0.0044949000000000, -0.0025676700000000, 0.0031330800000000 ] - [ -0.0001301900000000, 0.0001325700000000, -0.0000329500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011564200000000, 0.0006863800000000, 0.0018683100000000 ] - [ 0.0037729100000000, 0.0006110700000000, -0.0043172500000000 ] - [ 0.0001645000000000, -0.0009122100000000, 0.0001209600000000 ] - [ -0.0000411400000000, -0.0010487800000000, -0.0000226900000000 ] - [ 0.0001646300000000, -0.0010766900000000, 0.0001129500000000 ] - [ 0.0010645800000000, 0.0008173700000000, -0.0021281300000000 ] - [ 0.0005508200000000, 0.0001390300000000, 0.0011491300000000 ] - [ 0.0001323600000000, -0.0006656100000000, -0.0000674400000000 ] - [ 0.0011933700000000, 0.0032652200000000, -0.0004556300000000 ] - [ 0.0003189700000000, -0.0017451100000000, 0.0009693700000000 ] - [ -0.0006485000000000, -0.0012091200000000, -0.0014763400000000 ] - [ -0.0009586800000000, 0.0018796400000000, 0.0010596700000000 ] - [ 0.0000338800000000, 0.0009657900000000, 0.0006875100000000 ] - [ -0.0115151200000000, 0.0165152300000000, -0.0051079300000000 ] - [ 0.0005389600000000, -0.0004220500000000, -0.0003033900000000 ] - [ -0.0002047600000000, 0.0010181300000000, -0.0011548700000000 ] - [ -0.0005078400000000, 0.0009495100000000, 0.0008393200000000 ] - [ -0.0008881100000000, -0.0017287800000000, -0.0006875900000000 ] - [ -0.0011231300000000, -0.0045591500000000, 0.0044939800000000 ] - [ 0.0001408200000000, 0.0015029500000000, 0.0000528000000000 ] - [ 0.0001791400000000, 0.0007968400000000, -0.0001878200000000 ] - [ 0.0011567100000000, 0.0023424800000000, -0.0024004000000000 ] - [ -0.0024188600000000, 0.0022059700000000, 0.0016841100000000 ] - [ -0.0002107700000000, 0.0010870600000000, 0.0001143700000000 ] - [ 0.0019934000000000, 0.0016754000000000, 0.0003024400000000 ] - [ -0.0047794500000000, -0.0065399300000000, -0.0039921200000000 ] - [ 0.0004471200000000, -0.0018097900000000, -0.0005566000000000 ] - [ 0.0001827300000000, 0.0002136300000000, 0.0001585000000000 ] - [ -0.0000915500000000, 0.0005569500000000, -0.0002256300000000 ] - [ -0.0000705600000000, 0.0013850500000000, 0.0009533300000000 ] - [ 0.0004151900000000, 0.0014215800000000, -0.0009341000000000 ] - [ 0.0000970700000000, 0.0005037300000000, 0.0002148900000000 ] - [ -0.0019729100000000, 0.0078646000000000, 0.0022008000000000 ] - [ -0.0006762100000000, -0.0018813300000000, -0.0010793800000000 ] - [ -0.0003603700000000, -0.0019698000000000, -0.0012657200000000 ] - [ -0.0016676200000000, -0.0004133700000000, 0.0017456000000000 ] - [ -0.0007036400000000, 0.0018025800000000, 0.0003747900000000 ] - [ -0.0000260600000000, 0.0027608400000000, 0.0007392300000000 ] - [ -0.0000063600000000, 0.0006236700000000, -0.0005534000000000 ] - [ 0.0006930600000000, 0.0018228000000000, -0.0003895400000000 ] - [ 0.0002624400000000, -0.0020161700000000, 0.0025828100000000 ] - [ 0.0004543100000000, -0.0027577300000000, 0.0001984900000000 ] - [ 0.0051084600000000, 0.0087201800000000, -0.0124275900000000 ] - [ -0.0020026500000000, -0.0003303200000000, -0.0010089500000000 ] - [ 0.0001687200000000, 0.0015151900000000, -0.0003148300000000 ] - [ -0.0002883100000000, 0.0028554500000000, -0.0006336100000000 ] - [ 0.0002631200000000, 0.0028113000000000, 0.0006196900000000 ] - [ -0.0000751600000000, 0.0018457000000000, 0.0004842100000000 ] - [ 0.0155604400000000, -0.1732220300000000, 0.0907819700000000 ] - [ 0.0006473600000000, 0.0004740600000000, -0.0016571000000000 ] - [ -0.0000983400000000, -0.0001749300000000, -0.0003861400000000 ] - [ -0.0001740600000000, -0.0038714800000000, -0.0014791200000000 ] - [ -0.0001973600000000, -0.0002329400000000, 0.0003339600000000 ] - [ 0.0001488100000000, 0.0020873800000000, -0.0001865300000000 ] - [ -0.0000075900000000, 0.0017796100000000, 0.0001319200000000 ] - [ 0.0003768300000000, -0.0001081800000000, -0.0001659900000000 ] - [ -0.0005823500000000, -0.0054590400000000, -0.0089097300000000 ] - [ 0.0002004100000000, 0.0005566400000000, -0.0001931500000000 ] - [ -0.0003998000000000, 0.0031726200000000, -0.0017655100000000 ] - [ 0.0001260200000000, -0.0045540100000000, 0.0035320000000000 ] - [ -0.0001867800000000, 0.0003370900000000, -0.0009830500000000 ] - [ 0.0000407200000000, 0.0010333700000000, 0.0010323300000000 ] - [ -0.0000327800000000, 0.0010197900000000, -0.0008867000000000 ] - [ 0.0003220500000000, 0.0003882200000000, 0.0015382900000000 ] - [ 0.0003471100000000, 0.0007141600000000, -0.0003326800000000 ] - [ 0.0149042900000000, 0.0068466000000000, -0.0074948000000000 ] - [ 0.0001311500000000, 0.0009332700000000, 0.0001359000000000 ] - [ 0.0002670900000000, -0.0006077700000000, -0.0001152200000000 ] - [ -0.0007637800000000, 0.0007513200000000, -0.0007919400000000 ] - [ -0.0008879900000000, 0.0027967500000000, 0.0016740100000000 ] - [ -0.0015666200000000, 0.0264867900000000, -0.0019877300000000 ] - [ -0.0011112200000000, -0.0007046900000000, 0.0012114800000000 ] - [ 0.0005988000000000, -0.0028163600000000, -0.0001585700000000 ] - [ 0.0002792700000000, -0.0027107200000000, 0.0011914800000000 ] - [ -0.0006907700000000, -0.0025899800000000, -0.0012432700000000 ] - [ -0.0006271500000000, -0.0033114600000000, 0.0001638200000000 ] - [ -0.0013390100000000, -0.0103691400000000, -0.0004517200000000 ] - [ 0.0051776500000000, 0.0054492600000000, -0.0006005100000000 ] - [ -0.0017542900000000, 0.0084841100000000, 0.0026911900000000 ] - [ 0.0004374900000000, 0.0017481000000000, -0.0016600300000000 ] - [ 0.0006058500000000, -0.0032978600000000, -0.0004351700000000 ] - [ -0.0006413200000000, -0.0024738500000000, -0.0029469200000000 ] - [ -0.0005520000000000, -0.0015975100000000, 0.0018131100000000 ] - [ -0.0006243300000000, -0.0033023200000000, 0.0004526700000000 ] - [ -0.0131059000000000, 0.1229218800000000, -0.0563129600000000 ] - [ -0.0000269000000000, -0.0019853300000000, 0.0005584900000000 ] - [ -0.0008017700000000, -0.0025524600000000, 0.0024379100000000 ] - [ -0.0101918400000000, 0.0108817600000000, -0.0022126300000000 ] - [ -0.0007043700000000, 0.0009995500000000, 0.0001460600000000 ] - [ -0.0013383400000000, -0.0027756300000000, -0.0005349000000000 ] - [ 0.0008546200000000, -0.0024536700000000, -0.0000872700000000 ] - [ 0.0001238700000000, 0.0008910000000000, -0.0001497700000000 ] - [ 0.0013640500000000, 0.0045745300000000, 0.0005436000000000 ] - [ 0.0026384900000000, -0.0051497700000000, -0.0029470100000000 ] - [ 0.0060106600000000, -0.0085247700000000, 0.0045505300000000 ] - [ 0.0001405200000000, -0.0025573700000000, 0.0001190900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011558800000000, -0.0012749100000000, -0.0018633400000000 ] - [ -0.0036549600000000, -0.0001433500000000, 0.0042520900000000 ] - [ -0.0001629400000000, 0.0014907600000000, -0.0001187700000000 ] - [ 0.0000411100000000, 0.0004650200000000, 0.0000213400000000 ] - [ -0.0001641500000000, 0.0010733100000000, -0.0001130500000000 ] - [ -0.0010597500000000, -0.0007957400000000, 0.0020997700000000 ] - [ -0.0005496800000000, -0.0001377600000000, -0.0011367900000000 ] - [ -0.0001323100000000, 0.0006626700000000, 0.0000676400000000 ] - [ -0.0004265900000000, -0.0022548200000000, -0.0012488100000000 ] - [ 0.0004548300000000, 0.0007193200000000, 0.0007370500000000 ] - [ -0.0001189200000000, 0.0001810000000000, -0.0002563500000000 ] - [ 0.0002011000000000, -0.0008760200000000, 0.0006529200000000 ] - [ -0.0007931400000000, -0.0019631100000000, 0.0010207000000000 ] - [ 0.0105173500000000, -0.0151534800000000, 0.0033623000000000 ] - [ 0.0002163200000000, 0.0014127100000000, 0.0019993700000000 ] - [ 0.0009690400000000, -0.0020227600000000, -0.0005506500000000 ] - [ -0.0005598100000000, -0.0002468200000000, -0.0009517500000000 ] - [ -0.0001673000000000, 0.0010328300000000, 0.0007743100000000 ] - [ 0.0022518100000000, 0.0038041000000000, -0.0046824000000000 ] - [ 0.0009288600000000, -0.0008006700000000, 0.0000575200000000 ] - [ 0.0008828800000000, -0.0014902000000000, 0.0002925800000000 ] - [ -0.0000865900000000, -0.0016317700000000, 0.0022690800000000 ] - [ 0.0013306500000000, -0.0014947600000000, -0.0015572400000000 ] - [ -0.0008468900000000, -0.0017748100000000, -0.0002153400000000 ] - [ -0.0017446500000000, -0.0011146400000000, 0.0002543700000000 ] - [ 0.0049104500000000, 0.0060208800000000, 0.0033424500000000 ] - [ -0.0007069200000000, 0.0012474500000000, 0.0010993500000000 ] - [ -0.0004266900000000, 0.0003443000000000, -0.0007141800000000 ] - [ -0.0001654400000000, -0.0011108600000000, -0.0003282400000000 ] - [ -0.0001812000000000, -0.0008233800000000, -0.0003919300000000 ] - [ -0.0001586100000000, -0.0008609300000000, 0.0003759000000000 ] - [ 0.0001508400000000, -0.0010581800000000, 0.0003402000000000 ] - [ 0.0029157100000000, -0.0091735100000000, -0.0024633700000000 ] - [ 0.0015893700000000, 0.0031097700000000, 0.0013221500000000 ] - [ -0.0005704400000000, 0.0031985600000000, 0.0009877600000000 ] - [ 0.0007414400000000, -0.0008115100000000, -0.0014928700000000 ] - [ -0.0002250300000000, -0.0005739500000000, -0.0001230800000000 ] - [ -0.0008974000000000, -0.0039602500000000, -0.0009852500000000 ] - [ 0.0009304600000000, -0.0018429200000000, 0.0008013500000000 ] - [ 0.0002368000000000, -0.0005948600000000, 0.0001330800000000 ] - [ -0.0000706200000000, 0.0029065200000000, -0.0028396500000000 ] - [ -0.0002581800000000, 0.0018628400000000, 0.0000483500000000 ] - [ -0.0053702100000000, -0.0096485900000000, 0.0123112300000000 ] - [ 0.0018118700000000, 0.0012404000000000, 0.0012790200000000 ] - [ -0.0003602300000000, -0.0024007400000000, 0.0005665200000000 ] - [ 0.0000971800000000, -0.0019574300000000, 0.0003750900000000 ] - [ -0.0000713800000000, -0.0019114900000000, -0.0003620200000000 ] - [ 0.0002683800000000, -0.0027337400000000, -0.0007338000000000 ] - [ -0.0145786300000000, 0.1684194400000000, -0.0845856300000000 ] - [ -0.0003750400000000, -0.0013809900000000, 0.0009312500000000 ] - [ -0.0001736300000000, -0.0007276100000000, 0.0011140900000000 ] - [ -0.0000980900000000, 0.0047629700000000, 0.0007600700000000 ] - [ -0.0000737500000000, -0.0006899400000000, -0.0010475900000000 ] - [ -0.0004213200000000, -0.0011755300000000, 0.0009095100000000 ] - [ 0.0002790300000000, -0.0008594400000000, -0.0008533500000000 ] - [ -0.0001040400000000, -0.0008120000000000, 0.0008769500000000 ] - [ 0.0008324300000000, 0.0047345100000000, 0.0092405200000000 ] - [ 0.0001090200000000, 0.0001281100000000, -0.0003297600000000 ] - [ 0.0000934500000000, -0.0024796900000000, 0.0022776100000000 ] - [ -0.0004410800000000, 0.0038362100000000, -0.0040098800000000 ] - [ -0.0001224300000000, 0.0003382300000000, 0.0004478000000000 ] - [ -0.0003470300000000, -0.0017159500000000, -0.0005171600000000 ] - [ 0.0003440400000000, -0.0016981900000000, 0.0003603700000000 ] - [ -0.0000132300000000, 0.0002831100000000, -0.0009967100000000 ] - [ -0.0003546300000000, -0.0007354200000000, 0.0003306200000000 ] - [ -0.0145937000000000, -0.0066173500000000, 0.0073634400000000 ] - [ -0.0001458200000000, -0.0009089400000000, -0.0001343600000000 ] - [ -0.0002653500000000, 0.0005784900000000, 0.0001107000000000 ] - [ -0.0004473900000000, 0.0001022400000000, 0.0005355600000000 ] - [ -0.0003257400000000, -0.0036482300000000, -0.0013942700000000 ] - [ 0.0028797200000000, -0.0273347900000000, 0.0009826300000000 ] - [ 0.0023235900000000, 0.0015483700000000, -0.0009513600000000 ] - [ 0.0006127200000000, 0.0019486400000000, 0.0004171100000000 ] - [ 0.0009239700000000, 0.0035559700000000, -0.0014344600000000 ] - [ -0.0005175500000000, 0.0034318900000000, 0.0014847900000000 ] - [ -0.0005858300000000, 0.0024412100000000, -0.0004280200000000 ] - [ 0.0008491300000000, 0.0113782500000000, 0.0004340900000000 ] - [ -0.0055784400000000, -0.0064912100000000, 0.0005329400000000 ] - [ 0.0022431600000000, -0.0094684700000000, -0.0026480000000000 ] - [ 0.0000601800000000, -0.0007269600000000, 0.0016530700000000 ] - [ -0.0001034300000000, 0.0022651000000000, 0.0004241400000000 ] - [ 0.0011327400000000, 0.0034880800000000, 0.0029280700000000 ] - [ 0.0000513500000000, 0.0026198100000000, -0.0018086100000000 ] - [ 0.0001264000000000, 0.0022702900000000, -0.0004395700000000 ] - [ 0.0134193500000000, -0.1173135800000000, 0.0524039500000000 ] - [ 0.0011836200000000, 0.0017978300000000, -0.0008990600000000 ] - [ -0.0003560000000000, 0.0023661900000000, -0.0020896700000000 ] - [ 0.0089705000000000, -0.0106146500000000, 0.0018334700000000 ] - [ -0.0004565900000000, -0.0011512100000000, -0.0004698000000000 ] - [ 0.0001807900000000, 0.0029430800000000, 0.0008782100000000 ] - [ 0.0003043900000000, 0.0026233500000000, -0.0002545800000000 ] - [ 0.0010405800000000, -0.0010311000000000, 0.0004810500000000 ] - [ -0.0014052300000000, -0.0036915100000000, -0.0004604100000000 ] - [ -0.0026429200000000, 0.0042684600000000, 0.0029492500000000 ] - [ -0.0059653700000000, 0.0075861300000000, -0.0045064200000000 ] - [ -0.0001402700000000, 0.0034222900000000, -0.0001172200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008889100000000, -0.0001821400000000, -0.0026823000000000 ] - [ 0.0022001300000000, -0.0042311400000000, 0.0036832100000000 ] - [ -0.0000586700000000, 0.0008196900000000, 0.0000310500000000 ] - [ 0.0000361900000000, -0.0001485500000000, -0.0000816100000000 ] - [ -0.0001361800000000, 0.0005950800000000, 0.0001294000000000 ] - [ 0.0006320800000000, -0.0022814900000000, 0.0025754300000000 ] - [ -0.0014021600000000, 0.0016529400000000, -0.0019568400000000 ] - [ 0.0000140600000000, 0.0000561700000000, -0.0001469400000000 ] - [ 0.0001187200000000, -0.0002358600000000, -0.0013067900000000 ] - [ -0.0014741500000000, 0.0023783600000000, 0.0023233300000000 ] - [ 0.0001043100000000, 0.0010254600000000, 0.0038981600000000 ] - [ -0.0003222300000000, 0.0003096600000000, 0.0005484400000000 ] - [ -0.0005956300000000, -0.0013071700000000, 0.0011012500000000 ] - [ 0.0034683100000000, -0.0049123100000000, -0.0040625300000000 ] - [ -0.0007726100000000, -0.0005100200000000, 0.0006969500000000 ] - [ 0.0006427900000000, -0.0010935100000000, -0.0004178100000000 ] - [ -0.0007653300000000, 0.0010925700000000, -0.0006292500000000 ] - [ -0.0009576300000000, -0.0003832900000000, 0.0033775800000000 ] - [ -0.0119191200000000, 0.0061514300000000, 0.0171517300000000 ] - [ -0.0000147700000000, -0.0004974700000000, -0.0007286000000000 ] - [ 0.0007148900000000, -0.0007942200000000, 0.0002822600000000 ] - [ 0.0003098000000000, -0.0015034700000000, 0.0011208400000000 ] - [ 0.0002171400000000, -0.0004944500000000, -0.0014912200000000 ] - [ -0.0006682500000000, -0.0010274500000000, -0.0001413600000000 ] - [ -0.0010527800000000, -0.0011395600000000, -0.0008387700000000 ] - [ 0.0194144700000000, -0.0009063700000000, 0.0126653100000000 ] - [ -0.0023388800000000, 0.0007398200000000, 0.0034847600000000 ] - [ 0.0004506300000000, 0.0010371200000000, -0.0001431700000000 ] - [ -0.0001834600000000, -0.0005992100000000, -0.0003346200000000 ] - [ -0.0000283700000000, -0.0003243100000000, -0.0005123500000000 ] - [ -0.0001364100000000, -0.0005435800000000, 0.0003917100000000 ] - [ 0.0001616700000000, -0.0006037900000000, 0.0003742800000000 ] - [ 0.0020429000000000, -0.0017117600000000, -0.0037789600000000 ] - [ 0.0019379600000000, 0.0007025100000000, 0.0021344900000000 ] - [ 0.0015878100000000, 0.0008180700000000, 0.0068027300000000 ] - [ -0.0004063400000000, 0.0004543200000000, -0.0007316500000000 ] - [ -0.0003568300000000, 0.0001777400000000, 0.0000500000000000 ] - [ -0.0006644000000000, -0.0021255600000000, -0.0008486700000000 ] - [ 0.0007430500000000, -0.0014653900000000, 0.0004802700000000 ] - [ 0.0003312900000000, 0.0001454600000000, 0.0001033700000000 ] - [ 0.0009775000000000, 0.0062733500000000, 0.0037011900000000 ] - [ -0.0002772000000000, 0.0009726500000000, 0.0011697700000000 ] - [ -0.0052934300000000, -0.0154654800000000, 0.0069319600000000 ] - [ 0.0013843200000000, -0.0016533900000000, -0.0019939900000000 ] - [ -0.0002318700000000, -0.0012420300000000, 0.0004882900000000 ] - [ -0.0000220100000000, -0.0007677800000000, 0.0002586100000000 ] - [ 0.0000518200000000, -0.0004298200000000, -0.0002156700000000 ] - [ 0.0001783300000000, -0.0011126600000000, -0.0005133100000000 ] - [ 0.0100253600000000, 0.0874090500000000, -0.2687379500000000 ] - [ -0.0002998400000000, -0.0017536900000000, 0.0006388900000000 ] - [ 0.0001348300000000, 0.0002913600000000, 0.0029135000000000 ] - [ -0.0035162100000000, 0.0015865800000000, 0.0024560200000000 ] - [ -0.0002288700000000, 0.0002332300000000, -0.0011561900000000 ] - [ -0.0002437500000000, -0.0000995600000000, 0.0004030300000000 ] - [ 0.0001751300000000, -0.0000387800000000, -0.0005351800000000 ] - [ 0.0000005300000000, 0.0000732600000000, 0.0014502600000000 ] - [ 0.0045132700000000, -0.0035473400000000, 0.0248702200000000 ] - [ 0.0001707100000000, 0.0006925300000000, 0.0006231400000000 ] - [ 0.0002456000000000, -0.0024727600000000, 0.0015076300000000 ] - [ 0.0001387900000000, 0.0033439000000000, -0.0070117800000000 ] - [ -0.0001103200000000, 0.0008690200000000, 0.0012767900000000 ] - [ -0.0001998800000000, -0.0007946600000000, 0.0000009100000000 ] - [ 0.0002249200000000, -0.0008291500000000, -0.0001825500000000 ] - [ 0.0001942900000000, 0.0015535600000000, -0.0009331000000000 ] - [ -0.0001118800000000, -0.0003324600000000, 0.0004921300000000 ] - [ -0.0124938900000000, -0.0095068800000000, -0.0002346000000000 ] - [ -0.0000570000000000, -0.0003026500000000, -0.0001912700000000 ] - [ -0.0002666200000000, 0.0011131800000000, 0.0009130600000000 ] - [ -0.0019593100000000, -0.0042415800000000, -0.0017258600000000 ] - [ 0.0008556400000000, -0.0018820700000000, -0.0053289000000000 ] - [ -0.0142491400000000, -0.0070591600000000, 0.1557733100000000 ] - [ 0.0018550300000000, 0.0027601200000000, 0.0002452200000000 ] - [ 0.0005725000000000, 0.0005231600000000, 0.0001175800000000 ] - [ 0.0008703900000000, 0.0024225500000000, -0.0019343100000000 ] - [ -0.0005404600000000, 0.0016047300000000, 0.0017843000000000 ] - [ -0.0004887100000000, 0.0006416400000000, -0.0000384800000000 ] - [ -0.0015807300000000, 0.0108878800000000, 0.0074382000000000 ] - [ -0.0142990800000000, -0.0007696200000000, 0.0096728800000000 ] - [ 0.0032438000000000, -0.0104956800000000, -0.0156139500000000 ] - [ -0.0002139100000000, -0.0009037600000000, -0.0003537900000000 ] - [ 0.0001226100000000, 0.0004955800000000, 0.0003009000000000 ] - [ 0.0003544500000000, 0.0012014200000000, 0.0025508200000000 ] - [ 0.0002053600000000, 0.0014604400000000, -0.0017440400000000 ] - [ -0.0000731900000000, 0.0006135700000000, -0.0004527000000000 ] - [ 0.0047356900000000, -0.0505821600000000, 0.0526686700000000 ] - [ 0.0009983500000000, 0.0012469500000000, -0.0016744700000000 ] - [ -0.0001212400000000, 0.0010513800000000, -0.0025397100000000 ] - [ 0.0099975200000000, -0.0038881700000000, 0.0053691600000000 ] - [ -0.0003633600000000, -0.0025009100000000, -0.0021718000000000 ] - [ -0.0004398100000000, 0.0009330900000000, 0.0006496000000000 ] - [ 0.0005581100000000, 0.0009498900000000, 0.0001200200000000 ] - [ 0.0004269800000000, -0.0033918000000000, -0.0011943300000000 ] - [ 0.0053449800000000, -0.0004306500000000, -0.0145662300000000 ] - [ -0.0004619800000000, 0.0002821800000000, 0.0024431500000000 ] - [ -0.0021355100000000, 0.0041260900000000, -0.0004327000000000 ] - [ -0.0000405000000000, 0.0017480200000000, -0.0003254500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008813600000000, -0.0004000000000000, 0.0026690700000000 ] - [ -0.0021535100000000, 0.0047587200000000, -0.0037229500000000 ] - [ 0.0000564900000000, -0.0002281900000000, -0.0000311000000000 ] - [ -0.0000360500000000, -0.0004331400000000, 0.0000812100000000 ] - [ 0.0001356400000000, -0.0005897000000000, -0.0001276100000000 ] - [ -0.0006343600000000, 0.0022683400000000, -0.0025416200000000 ] - [ 0.0014025600000000, -0.0016623100000000, 0.0019448500000000 ] - [ -0.0000144400000000, -0.0000530400000000, 0.0001467000000000 ] - [ 0.0006498500000000, 0.0012400400000000, -0.0003961100000000 ] - [ 0.0022149100000000, -0.0033512900000000, -0.0006111600000000 ] - [ -0.0008656800000000, -0.0020103800000000, -0.0055802600000000 ] - [ -0.0004431500000000, 0.0006906000000000, 0.0011554900000000 ] - [ -0.0001693300000000, 0.0002963100000000, 0.0006088200000000 ] - [ -0.0041390100000000, 0.0057812100000000, 0.0024145400000000 ] - [ 0.0015424000000000, 0.0015303200000000, 0.0010188600000000 ] - [ 0.0001293500000000, 0.0000749800000000, -0.0012826700000000 ] - [ -0.0002935900000000, -0.0004041800000000, 0.0005276800000000 ] - [ -0.0001165100000000, -0.0003133700000000, -0.0032567500000000 ] - [ 0.0127917500000000, -0.0066824800000000, -0.0169954500000000 ] - [ 0.0010742100000000, 0.0011898900000000, 0.0008301000000000 ] - [ 0.0003535100000000, 0.0000865400000000, -0.0001733800000000 ] - [ 0.0007485400000000, 0.0021906700000000, -0.0012018500000000 ] - [ -0.0012563100000000, 0.0011736100000000, 0.0015771300000000 ] - [ -0.0003948400000000, 0.0003263800000000, 0.0000352000000000 ] - [ 0.0012981800000000, 0.0016894100000000, 0.0013839300000000 ] - [ -0.0187856800000000, 0.0003882800000000, -0.0129083800000000 ] - [ 0.0021065100000000, -0.0012972500000000, -0.0029182800000000 ] - [ -0.0007097900000000, -0.0004778700000000, -0.0004103300000000 ] - [ -0.0000811000000000, 0.0000357900000000, -0.0002200800000000 ] - [ -0.0002255500000000, 0.0008749600000000, 0.0010559600000000 ] - [ 0.0003872500000000, 0.0010956000000000, -0.0009408900000000 ] - [ 0.0000915500000000, 0.0000377500000000, 0.0001835500000000 ] - [ -0.0011127600000000, 0.0005078700000000, 0.0035087600000000 ] - [ -0.0010025300000000, 0.0005165000000000, -0.0018753700000000 ] - [ -0.0025148300000000, 0.0004041400000000, -0.0070431800000000 ] - [ -0.0005167900000000, -0.0016766300000000, 0.0009793100000000 ] - [ -0.0005649200000000, 0.0010413200000000, 0.0001951300000000 ] - [ -0.0002708300000000, 0.0008711900000000, 0.0005823500000000 ] - [ 0.0001857300000000, 0.0002320100000000, -0.0002221200000000 ] - [ 0.0005898600000000, 0.0010723200000000, -0.0003512700000000 ] - [ -0.0007902900000000, -0.0054115300000000, -0.0039798200000000 ] - [ 0.0004640500000000, -0.0018562900000000, -0.0009045700000000 ] - [ 0.0049646300000000, 0.0142740700000000, -0.0070111100000000 ] - [ -0.0015765100000000, 0.0025463600000000, 0.0022253800000000 ] - [ 0.0000408900000000, 0.0003413800000000, -0.0002265500000000 ] - [ -0.0001697300000000, 0.0016450500000000, -0.0005102500000000 ] - [ 0.0001414900000000, 0.0013168900000000, 0.0004674400000000 ] - [ 0.0000181100000000, 0.0002060400000000, 0.0002571400000000 ] - [ -0.0082485200000000, -0.0879248300000000, 0.2595333500000000 ] - [ 0.0005671400000000, 0.0008384600000000, -0.0013591600000000 ] - [ -0.0004083100000000, -0.0012003200000000, -0.0021854800000000 ] - [ 0.0032575900000000, -0.0006604700000000, -0.0031703200000000 ] - [ -0.0000433200000000, -0.0011361400000000, 0.0004279300000000 ] - [ -0.0000305000000000, 0.0009894500000000, 0.0003226300000000 ] - [ 0.0000977900000000, 0.0009354700000000, -0.0001942000000000 ] - [ 0.0002710800000000, -0.0009658300000000, -0.0007067500000000 ] - [ -0.0043411100000000, 0.0030010600000000, -0.0246646300000000 ] - [ 0.0001357100000000, -0.0000045700000000, -0.0011352600000000 ] - [ -0.0005449200000000, 0.0031360700000000, -0.0009875300000000 ] - [ -0.0004427400000000, -0.0040062700000000, 0.0064522100000000 ] - [ -0.0001994900000000, -0.0001694500000000, -0.0017785700000000 ] - [ -0.0001039300000000, 0.0000946800000000, 0.0005018400000000 ] - [ 0.0000832800000000, 0.0001292300000000, -0.0003280600000000 ] - [ 0.0001089300000000, -0.0008522600000000, 0.0014233300000000 ] - [ 0.0001058000000000, 0.0002984900000000, -0.0004915700000000 ] - [ 0.0124567200000000, 0.0095670400000000, 0.0003408600000000 ] - [ 0.0000471000000000, 0.0003287300000000, 0.0001917600000000 ] - [ 0.0002769000000000, -0.0011286200000000, -0.0009116300000000 ] - [ 0.0007493400000000, 0.0051181200000000, 0.0014518300000000 ] - [ -0.0020732900000000, 0.0010089600000000, 0.0055587600000000 ] - [ 0.0142199900000000, 0.0053492900000000, -0.1459073900000000 ] - [ -0.0006294200000000, -0.0018887100000000, 0.0000222400000000 ] - [ 0.0006398300000000, -0.0013762400000000, 0.0001464400000000 ] - [ 0.0003457700000000, -0.0015404900000000, 0.0016512200000000 ] - [ -0.0006737900000000, -0.0007250900000000, -0.0015023300000000 ] - [ -0.0007238000000000, -0.0014920600000000, -0.0002251200000000 ] - [ 0.0010699900000000, -0.0097952200000000, -0.0073547200000000 ] - [ 0.0137286800000000, -0.0002712100000000, -0.0095721000000000 ] - [ -0.0027560300000000, 0.0094639600000000, 0.0156220300000000 ] - [ 0.0007141200000000, 0.0019283700000000, 0.0003421400000000 ] - [ 0.0003743000000000, -0.0015039500000000, -0.0003062300000000 ] - [ 0.0001524600000000, -0.0001625600000000, -0.0025036700000000 ] - [ -0.0006984300000000, -0.0004249300000000, 0.0017126600000000 ] - [ -0.0004253400000000, -0.0016228700000000, 0.0004582300000000 ] - [ -0.0038455800000000, 0.0530861200000000, -0.0531333700000000 ] - [ 0.0001637300000000, -0.0014063000000000, 0.0013282400000000 ] - [ -0.0010380800000000, -0.0012030400000000, 0.0028662300000000 ] - [ -0.0110772000000000, 0.0040037600000000, -0.0057031600000000 ] - [ -0.0007953000000000, 0.0023055700000000, 0.0018301800000000 ] - [ -0.0007204000000000, -0.0007498500000000, -0.0003083700000000 ] - [ 0.0006011100000000, -0.0007637700000000, -0.0004598900000000 ] - [ 0.0007296200000000, 0.0031868200000000, 0.0015215900000000 ] - [ -0.0053184000000000, 0.0012817400000000, 0.0145082200000000 ] - [ 0.0004600200000000, -0.0011485300000000, -0.0024417800000000 ] - [ 0.0020732900000000, -0.0049279100000000, 0.0003849300000000 ] - [ 0.0000396000000000, -0.0008567800000000, 0.0003269400000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003428200000000, -0.0008692000000000, -0.0001459100000000 ] - [ -0.0002344000000000, 0.0010192800000000, -0.0004256300000000 ] - [ -0.0000511900000000, 0.0004810700000000, 0.0000232700000000 ] - [ 0.0000335500000000, -0.0001981700000000, -0.0000269700000000 ] - [ -0.0000017700000000, 0.0000889300000000, -0.0000072100000000 ] - [ -0.0004190300000000, -0.0002445800000000, 0.0003928600000000 ] - [ -0.0016485400000000, 0.0037877800000000, -0.0022468000000000 ] - [ -0.0000390700000000, 0.0001541400000000, 0.0000386100000000 ] - [ 0.0003089800000000, 0.0002855000000000, -0.0008007400000000 ] - [ 0.0005701400000000, -0.0005237900000000, 0.0012425800000000 ] - [ -0.0016877100000000, -0.0019090700000000, 0.0012336500000000 ] - [ -0.0002715200000000, 0.0002762700000000, 0.0008868800000000 ] - [ -0.0004360000000000, -0.0006677700000000, 0.0008397100000000 ] - [ -0.0016302400000000, -0.0026816400000000, -0.0050881700000000 ] - [ 0.0058806600000000, -0.0013681800000000, -0.0013744500000000 ] - [ 0.0004528100000000, -0.0007192600000000, -0.0008725000000000 ] - [ -0.0003881600000000, -0.0001186200000000, 0.0000761800000000 ] - [ 0.0050061900000000, 0.0007904600000000, 0.0028014800000000 ] - [ 0.0000067200000000, 0.0000133300000000, 0.0009758500000000 ] - [ 0.0005402700000000, 0.0002558800000000, 0.0000725300000000 ] - [ 0.0005775500000000, -0.0005126500000000, 0.0000816300000000 ] - [ -0.0007907900000000, -0.0019810700000000, 0.0003402100000000 ] - [ 0.0002393300000000, 0.0001504600000000, -0.0003597200000000 ] - [ -0.0005742600000000, -0.0005031200000000, -0.0000812200000000 ] - [ 0.0001153400000000, 0.0002943600000000, 0.0002388100000000 ] - [ 0.0003291200000000, -0.0002715500000000, -0.0003936200000000 ] - [ 0.0094223200000000, -0.0050962200000000, -0.0056250000000000 ] - [ -0.0004231900000000, 0.0002120500000000, -0.0001570600000000 ] - [ -0.0001192000000000, -0.0003645000000000, -0.0002784100000000 ] - [ -0.0003230200000000, 0.0006063100000000, 0.0004797400000000 ] - [ -0.0000646100000000, 0.0005929700000000, -0.0004090800000000 ] - [ 0.0001691500000000, -0.0003986600000000, 0.0002955500000000 ] - [ 0.0004023600000000, -0.0007164400000000, -0.0000065800000000 ] - [ 0.0013004900000000, 0.0009598600000000, 0.0007960000000000 ] - [ -0.0014177800000000, 0.0032351700000000, 0.0050260900000000 ] - [ -0.0004422400000000, -0.0007648300000000, 0.0001952700000000 ] - [ -0.0004495100000000, 0.0004853700000000, 0.0001122700000000 ] - [ -0.0005545500000000, -0.0012616800000000, -0.0003361800000000 ] - [ 0.0006768300000000, -0.0010238500000000, 0.0001868700000000 ] - [ 0.0004080400000000, 0.0004264400000000, -0.0000613400000000 ] - [ -0.0039120900000000, -0.0033268900000000, -0.0006883500000000 ] - [ 0.0016746100000000, -0.0010122200000000, 0.0002815400000000 ] - [ -0.0004327600000000, -0.0006003700000000, 0.0004246600000000 ] - [ 0.0001111700000000, 0.0003387300000000, 0.0001902500000000 ] - [ -0.0000516100000000, -0.0006769000000000, 0.0001506100000000 ] - [ -0.0001780000000000, -0.0002138400000000, 0.0000193600000000 ] - [ 0.0001653400000000, 0.0002622600000000, 0.0000669400000000 ] - [ 0.0000120600000000, -0.0006827000000000, -0.0001569400000000 ] - [ -0.0028767700000000, -0.0002569300000000, 0.0047781900000000 ] - [ 0.0001668000000000, -0.0005078700000000, -0.0003813300000000 ] - [ -0.0002735300000000, -0.0007011900000000, -0.0000303400000000 ] - [ 0.0036678800000000, 0.0001650300000000, -0.0000720700000000 ] - [ 0.0000044000000000, -0.0004897800000000, -0.0003148200000000 ] - [ -0.0001647800000000, 0.0002616900000000, 0.0004098800000000 ] - [ 0.0001762200000000, 0.0002612000000000, -0.0004399900000000 ] - [ -0.0002344900000000, -0.0006239100000000, 0.0004065600000000 ] - [ -0.0724646500000000, 0.0278059600000000, -0.0208188300000000 ] - [ 0.0001563100000000, 0.0002039200000000, -0.0003740800000000 ] - [ -0.0001465000000000, 0.0002355800000000, 0.0002519300000000 ] - [ 0.0014423900000000, -0.0007194000000000, 0.0003437700000000 ] - [ 0.0002911100000000, 0.0001323500000000, -0.0000681500000000 ] - [ -0.0001936900000000, -0.0005937100000000, 0.0001502500000000 ] - [ 0.0001730900000000, -0.0004918900000000, -0.0001704600000000 ] - [ -0.0001764700000000, 0.0000381400000000, 0.0003175400000000 ] - [ -0.0000371800000000, -0.0001283100000000, -0.0000254700000000 ] - [ 0.0094743700000000, 0.0029380300000000, 0.0071497700000000 ] - [ 0.0000194500000000, -0.0000973500000000, 0.0000105100000000 ] - [ -0.0002280700000000, 0.0003623900000000, -0.0002080600000000 ] - [ 0.0002960500000000, 0.0012353200000000, 0.0001083700000000 ] - [ -0.0124583300000000, -0.0014863700000000, -0.0023019300000000 ] - [ 0.0018840200000000, -0.0008827200000000, -0.0022503300000000 ] - [ 0.0005088300000000, 0.0004959600000000, 0.0001528700000000 ] - [ 0.0005642700000000, -0.0001210400000000, 0.0001620700000000 ] - [ 0.0019689000000000, 0.0008114000000000, -0.0003490500000000 ] - [ -0.0011127000000000, 0.0004360500000000, 0.0000224900000000 ] - [ -0.0006152000000000, -0.0001171300000000, -0.0001395800000000 ] - [ -0.0001005400000000, 0.0006720500000000, 0.0000886800000000 ] - [ -0.0011604600000000, -0.0002331900000000, -0.0002986000000000 ] - [ 0.0358054500000000, -0.0356516400000000, -0.0302040000000000 ] - [ 0.0001807600000000, 0.0007234500000000, -0.0001488300000000 ] - [ 0.0002010500000000, -0.0002409900000000, 0.0000115200000000 ] - [ 0.0011965700000000, 0.0010253700000000, 0.0002318300000000 ] - [ -0.0009512200000000, 0.0007826000000000, -0.0000816500000000 ] - [ -0.0001887300000000, -0.0000331500000000, -0.0001224800000000 ] - [ 0.0379642300000000, 0.0117420800000000, 0.0480624500000000 ] - [ 0.0006099200000000, 0.0001610800000000, -0.0000358900000000 ] - [ -0.0006468600000000, 0.0002963700000000, 0.0002215300000000 ] - [ -0.0122720800000000, 0.0017155000000000, 0.0014840000000000 ] - [ -0.0013307400000000, -0.0001319700000000, -0.0004546800000000 ] - [ -0.0005096100000000, 0.0004680400000000, 0.0001947500000000 ] - [ 0.0005094700000000, 0.0004063100000000, -0.0002128700000000 ] - [ 0.0021265400000000, -0.0000158100000000, 0.0001173900000000 ] - [ -0.0012890300000000, 0.0011409800000000, -0.0031968400000000 ] - [ -0.0001414700000000, -0.0000984700000000, -0.0003011700000000 ] - [ -0.0013465200000000, 0.0022712700000000, 0.0004028500000000 ] - [ 0.0000125500000000, 0.0008258600000000, -0.0000051900000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003395600000000, 0.0002869400000000, 0.0001459200000000 ] - [ 0.0002392400000000, -0.0004273500000000, 0.0004215000000000 ] - [ 0.0000501400000000, 0.0001010300000000, -0.0000219100000000 ] - [ -0.0000330800000000, -0.0003850900000000, 0.0000258300000000 ] - [ 0.0000024600000000, -0.0000889300000000, 0.0000086400000000 ] - [ 0.0004160400000000, 0.0002436000000000, -0.0003924300000000 ] - [ 0.0015584000000000, -0.0036916100000000, 0.0021916700000000 ] - [ 0.0000402900000000, -0.0001545200000000, -0.0000395000000000 ] - [ 0.0004504000000000, 0.0007235900000000, -0.0009106400000000 ] - [ 0.0001999300000000, -0.0004900300000000, 0.0004672600000000 ] - [ 0.0009344500000000, 0.0008941800000000, -0.0029256200000000 ] - [ -0.0004973200000000, 0.0007436500000000, 0.0008196000000000 ] - [ -0.0003268500000000, -0.0003421000000000, 0.0008726600000000 ] - [ 0.0008665200000000, 0.0037265300000000, 0.0034240200000000 ] - [ -0.0051346500000000, 0.0024137500000000, 0.0030933800000000 ] - [ 0.0003017700000000, -0.0002848900000000, -0.0008413700000000 ] - [ -0.0006859600000000, 0.0008357700000000, -0.0001875500000000 ] - [ -0.0060903600000000, -0.0014817800000000, -0.0027359700000000 ] - [ 0.0010610100000000, -0.0007124100000000, -0.0010783200000000 ] - [ 0.0005272400000000, 0.0004464200000000, 0.0000295000000000 ] - [ 0.0004912400000000, -0.0001916400000000, 0.0000256700000000 ] - [ 0.0018703800000000, 0.0026655800000000, -0.0004517600000000 ] - [ -0.0013096500000000, 0.0005555200000000, 0.0004691200000000 ] - [ -0.0004919100000000, -0.0001931100000000, -0.0000209200000000 ] - [ 0.0001295600000000, 0.0002620400000000, 0.0003223400000000 ] - [ -0.0000877500000000, -0.0002849200000000, -0.0001715400000000 ] - [ -0.0096110200000000, 0.0044860900000000, 0.0060679800000000 ] - [ 0.0001805600000000, 0.0003437700000000, -0.0004063500000000 ] - [ -0.0001371100000000, -0.0001894000000000, -0.0002797800000000 ] - [ 0.0000680200000000, -0.0000488400000000, 0.0000855700000000 ] - [ 0.0003128700000000, -0.0000340900000000, -0.0001535200000000 ] - [ 0.0000857000000000, -0.0001558600000000, 0.0002670700000000 ] - [ 0.0005206400000000, -0.0005129600000000, -0.0002435400000000 ] - [ -0.0003770600000000, 0.0002690000000000, -0.0005483200000000 ] - [ 0.0004852800000000, -0.0020280100000000, -0.0053342700000000 ] - [ -0.0004844300000000, -0.0004692100000000, 0.0000494800000000 ] - [ -0.0004694000000000, 0.0007471900000000, 0.0001287900000000 ] - [ -0.0003639300000000, 0.0000301800000000, 0.0000942000000000 ] - [ 0.0002431100000000, -0.0002054800000000, 0.0000538400000000 ] - [ 0.0005098200000000, 0.0008050600000000, -0.0001802400000000 ] - [ 0.0040898200000000, 0.0042496400000000, 0.0004469700000000 ] - [ -0.0014834700000000, 0.0001165200000000, -0.0000250500000000 ] - [ 0.0002433800000000, -0.0002842600000000, -0.0006812100000000 ] - [ -0.0003008300000000, 0.0005451100000000, 0.0000714400000000 ] - [ -0.0001371700000000, -0.0002129700000000, 0.0001116000000000 ] - [ -0.0000109300000000, 0.0011008400000000, -0.0002811500000000 ] - [ 0.0000257900000000, 0.0006332100000000, 0.0001930700000000 ] - [ 0.0001763400000000, -0.0002096700000000, -0.0001056000000000 ] - [ 0.0031330400000000, 0.0011602700000000, -0.0040704700000000 ] - [ 0.0001062600000000, -0.0004048200000000, -0.0003534500000000 ] - [ 0.0000048600000000, -0.0002119100000000, 0.0007689600000000 ] - [ -0.0039264800000000, 0.0007380100000000, -0.0006618100000000 ] - [ -0.0002779000000000, -0.0004167000000000, -0.0004235200000000 ] - [ -0.0001094700000000, 0.0006494000000000, 0.0003187600000000 ] - [ 0.0000989700000000, 0.0006379000000000, -0.0003036200000000 ] - [ 0.0005060200000000, -0.0002866200000000, 0.0003276100000000 ] - [ 0.0740255800000000, -0.0286223800000000, 0.0212607400000000 ] - [ 0.0001560800000000, 0.0004855900000000, -0.0001402200000000 ] - [ -0.0001642200000000, 0.0004483800000000, 0.0002660500000000 ] - [ -0.0017526900000000, 0.0000257900000000, -0.0008436200000000 ] - [ -0.0006011500000000, 0.0005636400000000, -0.0004362200000000 ] - [ -0.0001194200000000, -0.0000949300000000, 0.0003628100000000 ] - [ 0.0001344900000000, -0.0002047100000000, -0.0003217700000000 ] - [ 0.0004880500000000, 0.0006506100000000, 0.0001977300000000 ] - [ 0.0000416200000000, 0.0001072700000000, 0.0000247300000000 ] - [ -0.0094161300000000, -0.0028376900000000, -0.0070485300000000 ] - [ 0.0000031700000000, 0.0001262300000000, -0.0000094600000000 ] - [ 0.0002138100000000, -0.0003881600000000, 0.0002053500000000 ] - [ -0.0015333300000000, -0.0003963000000000, -0.0003739100000000 ] - [ 0.0112289600000000, 0.0006372800000000, 0.0025919500000000 ] - [ -0.0006804200000000, 0.0000229500000000, 0.0020072500000000 ] - [ 0.0007037500000000, 0.0003680500000000, 0.0001100100000000 ] - [ 0.0006473600000000, -0.0007418100000000, 0.0001027300000000 ] - [ -0.0007477300000000, 0.0000505400000000, 0.0000832200000000 ] - [ -0.0001006500000000, 0.0004178700000000, 0.0002401000000000 ] - [ -0.0005995100000000, -0.0007456900000000, -0.0001251100000000 ] - [ -0.0004006900000000, 0.0003464600000000, -0.0000797700000000 ] - [ 0.0006730300000000, -0.0007853800000000, 0.0002817600000000 ] - [ -0.0358880000000000, 0.0343782600000000, 0.0298899700000000 ] - [ 0.0003157200000000, 0.0003082300000000, 0.0001367700000000 ] - [ 0.0002976700000000, -0.0007793300000000, -0.0000214300000000 ] - [ -0.0006983500000000, -0.0000002700000000, -0.0002252800000000 ] - [ 0.0004536100000000, 0.0002386900000000, 0.0000705700000000 ] - [ -0.0003087700000000, -0.0009913300000000, 0.0001287900000000 ] - [ -0.0373808700000000, -0.0113561100000000, -0.0472460000000000 ] - [ 0.0005475400000000, -0.0003363600000000, -0.0003064200000000 ] - [ -0.0005129800000000, -0.0004737200000000, 0.0001194800000000 ] - [ 0.0110938900000000, -0.0015548800000000, -0.0018379400000000 ] - [ 0.0001680200000000, -0.0000430900000000, 0.0001235600000000 ] - [ -0.0006546900000000, -0.0002965700000000, 0.0001503300000000 ] - [ 0.0006501800000000, -0.0002336500000000, -0.0001324100000000 ] - [ -0.0009554100000000, -0.0001561500000000, 0.0002141100000000 ] - [ 0.0012773900000000, -0.0002689400000000, 0.0031990900000000 ] - [ 0.0001477800000000, -0.0007777700000000, 0.0003030600000000 ] - [ 0.0013363600000000, -0.0031519600000000, -0.0004002400000000 ] - [ -0.0000114000000000, 0.0000497500000000, 0.0000051400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010410500000000, -0.0009346200000000, -0.0010111900000000 ] - [ 0.0013764400000000, 0.0009093800000000, 0.0019028700000000 ] - [ 0.0001621600000000, -0.0008628300000000, -0.0000831700000000 ] - [ -0.0001073700000000, -0.0009893200000000, 0.0000694800000000 ] - [ 0.0000473400000000, -0.0006328100000000, 0.0000464100000000 ] - [ 0.0010176900000000, 0.0011865100000000, -0.0022259500000000 ] - [ 0.0032516100000000, 0.0012714600000000, 0.0033153000000000 ] - [ 0.0003282200000000, -0.0011416200000000, -0.0002507900000000 ] - [ 0.0008502500000000, 0.0020645300000000, -0.0013025000000000 ] - [ 0.0005257500000000, -0.0022527700000000, 0.0012076300000000 ] - [ -0.0021118900000000, -0.0029581700000000, -0.0049036700000000 ] - [ -0.0012114900000000, 0.0021783900000000, 0.0005219500000000 ] - [ 0.0000530800000000, 0.0007428800000000, 0.0010452100000000 ] - [ -0.0038655700000000, 0.0067212400000000, 0.0100112700000000 ] - [ -0.0028883400000000, -0.0002848200000000, 0.0009389600000000 ] - [ -0.0003403000000000, 0.0013645800000000, -0.0006035400000000 ] - [ -0.0017729500000000, 0.0042850100000000, -0.0015637800000000 ] - [ -0.0011802400000000, -0.0035222300000000, -0.0002323100000000 ] - [ 0.0009527500000000, -0.0029668400000000, 0.0014258800000000 ] - [ 0.0004761400000000, 0.0008093500000000, -0.0001784700000000 ] - [ 0.0001604000000000, 0.0009015700000000, -0.0001400500000000 ] - [ -0.0005528300000000, 0.0112384700000000, -0.0011372000000000 ] - [ -0.0018856800000000, 0.0016453600000000, 0.0013244600000000 ] - [ -0.0002129100000000, 0.0008392900000000, 0.0002027800000000 ] - [ 0.0004923800000000, 0.0003758100000000, 0.0000595300000000 ] - [ -0.0004444000000000, -0.0012307100000000, 0.0003806500000000 ] - [ -0.0088520500000000, -0.0019401800000000, 0.0025180900000000 ] - [ 0.0020966800000000, 0.0015805400000000, -0.0002224500000000 ] - [ -0.0001251700000000, 0.0004620300000000, -0.0002262600000000 ] - [ 0.0000332300000000, 0.0010421900000000, 0.0008287800000000 ] - [ 0.0012673900000000, 0.0012788600000000, -0.0008220500000000 ] - [ -0.0000362600000000, 0.0006023700000000, 0.0001766000000000 ] - [ 0.0004677800000000, -0.0002470100000000, -0.0013742000000000 ] - [ 0.0013777000000000, -0.0006975900000000, 0.0018370500000000 ] - [ 0.0035138800000000, -0.0006832300000000, 0.0094543200000000 ] - [ -0.0009063400000000, 0.0000599100000000, -0.0006769500000000 ] - [ -0.0006374100000000, 0.0016729800000000, 0.0003242000000000 ] - [ -0.0001082900000000, 0.0016229800000000, 0.0011066100000000 ] - [ -0.0006412000000000, 0.0007551900000000, -0.0002179300000000 ] - [ 0.0007877400000000, 0.0019349800000000, -0.0004967900000000 ] - [ -0.0013037800000000, 0.0241060700000000, 0.0039843800000000 ] - [ 0.0002631800000000, -0.0008528800000000, -0.0001265300000000 ] - [ -0.0002906300000000, -0.0013257300000000, 0.0004783900000000 ] - [ -0.0000203400000000, -0.0008975300000000, 0.0000689200000000 ] - [ 0.0001639900000000, 0.0014818700000000, -0.0003778400000000 ] - [ -0.0001338300000000, 0.0040858200000000, -0.0008921500000000 ] - [ 0.0002073100000000, 0.0024248900000000, 0.0006072600000000 ] - [ -0.0000118300000000, 0.0015213000000000, 0.0003553600000000 ] - [ 0.0000416500000000, -0.0046143800000000, -0.0029631300000000 ] - [ 0.0003733200000000, -0.0002449000000000, -0.0000295200000000 ] - [ 0.0003921200000000, 0.0023572000000000, 0.0031562700000000 ] - [ -0.0006354000000000, -0.0037395200000000, -0.0040371600000000 ] - [ -0.0001342900000000, -0.0004593500000000, 0.0001491100000000 ] - [ 0.0000239200000000, 0.0018321300000000, -0.0000797900000000 ] - [ -0.0000594100000000, 0.0018112300000000, 0.0001094200000000 ] - [ 0.0005688600000000, -0.0004088900000000, -0.0008417000000000 ] - [ 0.0275575300000000, -0.1450986300000000, -0.1312754600000000 ] - [ 0.0002953700000000, 0.0013732700000000, 0.0007788500000000 ] - [ -0.0002652200000000, 0.0008926000000000, 0.0004510100000000 ] - [ 0.0002175000000000, -0.0037013700000000, 0.0024684100000000 ] - [ -0.0003670000000000, -0.0000772900000000, -0.0014510400000000 ] - [ 0.0000969100000000, 0.0013750300000000, 0.0009800300000000 ] - [ 0.0000115700000000, 0.0008392400000000, -0.0008846000000000 ] - [ 0.0004597200000000, 0.0003453700000000, 0.0015561900000000 ] - [ 0.0004370200000000, 0.0009150200000000, 0.0003335100000000 ] - [ 0.0115422000000000, -0.0023674100000000, 0.0052272000000000 ] - [ 0.0000077600000000, 0.0009033500000000, -0.0001256900000000 ] - [ 0.0004522900000000, -0.0008824200000000, -0.0000885400000000 ] - [ -0.0063734800000000, -0.0101912100000000, -0.0021859200000000 ] - [ 0.0039906100000000, 0.0025589400000000, 0.0045501400000000 ] - [ 0.0006414300000000, 0.0023772600000000, -0.0023036400000000 ] - [ 0.0001261100000000, 0.0008575700000000, 0.0002264700000000 ] - [ 0.0007341200000000, -0.0029152100000000, -0.0001408500000000 ] - [ -0.0023207400000000, -0.0048885600000000, 0.0025499400000000 ] - [ -0.0005970700000000, -0.0018143200000000, -0.0011829600000000 ] - [ -0.0005826700000000, -0.0028748500000000, 0.0000891800000000 ] - [ -0.0007265300000000, 0.0003745100000000, 0.0007196800000000 ] - [ 0.0005529100000000, 0.0030744800000000, -0.0026226300000000 ] - [ -0.0335447200000000, 0.0836892900000000, 0.0646371700000000 ] - [ -0.0011000900000000, -0.0005260300000000, -0.0007159500000000 ] - [ 0.0005807000000000, -0.0029228900000000, -0.0003789000000000 ] - [ -0.0007784700000000, -0.0021162100000000, -0.0023922800000000 ] - [ -0.0004228200000000, -0.0012211500000000, 0.0021273000000000 ] - [ -0.0006589600000000, -0.0037908400000000, 0.0007307700000000 ] - [ 0.0108909000000000, 0.0310342600000000, 0.0395237000000000 ] - [ 0.0000883800000000, -0.0016396100000000, -0.0012598400000000 ] - [ 0.0000035800000000, -0.0034191000000000, -0.0011086200000000 ] - [ -0.0046021100000000, 0.0103256500000000, 0.0007539600000000 ] - [ -0.0009405200000000, 0.0018252200000000, 0.0003630200000000 ] - [ -0.0010655300000000, -0.0027633000000000, 0.0001582500000000 ] - [ 0.0009378200000000, -0.0023585000000000, 0.0002834800000000 ] - [ 0.0001157600000000, 0.0016227600000000, 0.0005401600000000 ] - [ -0.0024045900000000, 0.0100418400000000, -0.0031861800000000 ] - [ 0.0013368500000000, -0.0030109900000000, 0.0025958200000000 ] - [ 0.0057900700000000, -0.0065685000000000, -0.0007676100000000 ] - [ 0.0001217100000000, -0.0025557000000000, -0.0001636100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010448600000000, 0.0003500800000000, 0.0010189600000000 ] - [ -0.0013829200000000, -0.0003414600000000, -0.0019231500000000 ] - [ -0.0001623600000000, 0.0014498600000000, 0.0000828400000000 ] - [ 0.0001076400000000, 0.0004104800000000, -0.0000692100000000 ] - [ -0.0000471600000000, 0.0006344800000000, -0.0000465400000000 ] - [ -0.0010213400000000, -0.0011849800000000, 0.0022303700000000 ] - [ -0.0033465500000000, -0.0011863900000000, -0.0033580200000000 ] - [ -0.0003310800000000, 0.0011470200000000, 0.0002524600000000 ] - [ -0.0000916900000000, -0.0010652000000000, -0.0004046400000000 ] - [ 0.0002421800000000, 0.0012415400000000, 0.0005006500000000 ] - [ 0.0013489100000000, 0.0019460000000000, 0.0031953000000000 ] - [ 0.0004519900000000, -0.0011749400000000, 0.0011902300000000 ] - [ -0.0008137300000000, -0.0017516500000000, 0.0006659700000000 ] - [ 0.0030667800000000, -0.0056645800000000, -0.0115822700000000 ] - [ 0.0036350400000000, 0.0012979500000000, 0.0007730600000000 ] - [ 0.0011011500000000, -0.0023768800000000, -0.0011151400000000 ] - [ 0.0007163400000000, -0.0036255300000000, 0.0014742600000000 ] - [ 0.0001268500000000, 0.0028458100000000, 0.0003456900000000 ] - [ 0.0001277700000000, 0.0022681900000000, -0.0015545600000000 ] - [ 0.0006023000000000, -0.0000995900000000, 0.0002922300000000 ] - [ 0.0009065500000000, -0.0016018900000000, 0.0002450900000000 ] - [ 0.0015834700000000, -0.0103831900000000, 0.0010331700000000 ] - [ 0.0008198400000000, -0.0009538200000000, -0.0012232400000000 ] - [ -0.0008580200000000, -0.0015446100000000, -0.0003106400000000 ] - [ -0.0002550400000000, 0.0001785600000000, 0.0005109700000000 ] - [ 0.0006674300000000, 0.0006870400000000, -0.0009601100000000 ] - [ 0.0086661000000000, 0.0014321200000000, -0.0019965000000000 ] - [ -0.0023681900000000, -0.0010409400000000, -0.0003427000000000 ] - [ -0.0001212200000000, -0.0010112100000000, -0.0003373100000000 ] - [ -0.0002841800000000, -0.0005023200000000, -0.0002698200000000 ] - [ -0.0010205300000000, -0.0007349400000000, 0.0002593200000000 ] - [ 0.0002915100000000, -0.0011507400000000, 0.0003827400000000 ] - [ 0.0004546400000000, -0.0009786700000000, 0.0011439000000000 ] - [ -0.0004585500000000, 0.0019352000000000, -0.0015967200000000 ] - [ -0.0045075100000000, 0.0018860400000000, -0.0098921700000000 ] - [ -0.0000154600000000, -0.0012913000000000, 0.0009310800000000 ] - [ -0.0002896300000000, -0.0004436000000000, -0.0000761100000000 ] - [ -0.0008175500000000, -0.0028621900000000, -0.0013524800000000 ] - [ 0.0015689800000000, -0.0019931300000000, 0.0004698700000000 ] - [ 0.0001397200000000, -0.0007044800000000, 0.0002504300000000 ] - [ 0.0016099000000000, -0.0237374900000000, -0.0042820400000000 ] - [ -0.0000759100000000, -0.0000242000000000, 0.0003795900000000 ] - [ 0.0001073400000000, 0.0004696400000000, -0.0007491400000000 ] - [ -0.0001732000000000, 0.0017869500000000, 0.0001921900000000 ] - [ -0.0003612400000000, -0.0023782600000000, 0.0006337900000000 ] - [ -0.0000579600000000, -0.0031968900000000, 0.0006339600000000 ] - [ -0.0000134700000000, -0.0015469100000000, -0.0003527200000000 ] - [ 0.0002074000000000, -0.0024192800000000, -0.0006158000000000 ] - [ 0.0002261100000000, 0.0055841300000000, 0.0035875900000000 ] - [ -0.0000970700000000, -0.0006670100000000, -0.0007199000000000 ] - [ -0.0006799400000000, -0.0032955600000000, -0.0024535400000000 ] - [ 0.0003489600000000, 0.0046596500000000, 0.0033216200000000 ] - [ -0.0001461700000000, -0.0004538200000000, -0.0008827900000000 ] - [ -0.0003036200000000, -0.0009155700000000, 0.0008122000000000 ] - [ 0.0003418400000000, -0.0009028900000000, -0.0008406700000000 ] - [ -0.0002897200000000, -0.0005166100000000, 0.0015689000000000 ] - [ -0.0289028200000000, 0.1472597800000000, 0.1353329500000000 ] - [ 0.0000188600000000, -0.0006935400000000, -0.0013003000000000 ] - [ -0.0000493500000000, -0.0002093400000000, 0.0000610900000000 ] - [ -0.0005301900000000, 0.0030253700000000, -0.0029779200000000 ] - [ 0.0000549700000000, 0.0007548800000000, 0.0009389500000000 ] - [ -0.0004126600000000, -0.0020607200000000, -0.0004627500000000 ] - [ 0.0003002000000000, -0.0015245000000000, 0.0003821800000000 ] - [ -0.0001476400000000, 0.0003283800000000, -0.0010392300000000 ] - [ -0.0004363500000000, -0.0009377700000000, -0.0003380200000000 ] - [ -0.0115525500000000, 0.0023689700000000, -0.0052203600000000 ] - [ 0.0000057000000000, -0.0008849800000000, 0.0001282200000000 ] - [ -0.0004663400000000, 0.0008572800000000, 0.0000870200000000 ] - [ 0.0052121400000000, 0.0111257400000000, 0.0019448700000000 ] - [ -0.0051946400000000, -0.0034442300000000, -0.0042994200000000 ] - [ 0.0005466200000000, -0.0032376600000000, 0.0021290200000000 ] - [ 0.0010897200000000, -0.0000132100000000, 0.0000356300000000 ] - [ 0.0004801100000000, 0.0020637700000000, 0.0004059700000000 ] - [ 0.0035254200000000, 0.0057497500000000, -0.0028046400000000 ] - [ -0.0006142600000000, 0.0026870200000000, 0.0014478800000000 ] - [ -0.0006304300000000, 0.0020279000000000, -0.0003521100000000 ] - [ 0.0002331200000000, 0.0006220700000000, -0.0007220700000000 ] - [ -0.0010329800000000, -0.0041172700000000, 0.0026191000000000 ] - [ 0.0356858400000000, -0.0870281000000000, -0.0683180800000000 ] - [ 0.0016096600000000, 0.0015400600000000, 0.0007171400000000 ] - [ -0.0000839000000000, 0.0019107800000000, 0.0003730000000000 ] - [ 0.0012759600000000, 0.0031532800000000, 0.0024046400000000 ] - [ -0.0000735400000000, 0.0022556000000000, -0.0021404400000000 ] - [ 0.0001618900000000, 0.0027788100000000, -0.0007222900000000 ] - [ -0.0097196300000000, -0.0311825600000000, -0.0388411700000000 ] - [ 0.0010730800000000, 0.0014609800000000, 0.0009231100000000 ] - [ -0.0011668600000000, 0.0032571100000000, 0.0014656300000000 ] - [ 0.0034941600000000, -0.0101719500000000, -0.0010949700000000 ] - [ -0.0002173100000000, -0.0019970700000000, -0.0006912000000000 ] - [ -0.0000913700000000, 0.0029531700000000, 0.0001806800000000 ] - [ 0.0002209000000000, 0.0025450100000000, -0.0006307100000000 ] - [ 0.0010537100000000, -0.0017899700000000, -0.0002032300000000 ] - [ 0.0024187300000000, -0.0092124900000000, 0.0032086300000000 ] - [ -0.0013469900000000, 0.0021413600000000, -0.0026235500000000 ] - [ -0.0057878800000000, 0.0057092800000000, 0.0007590000000000 ] - [ -0.0001236900000000, 0.0034410200000000, 0.0001672600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014733800000000, -0.0027231700000000, -0.0019505900000000 ] - [ -0.0008868800000000, 0.0024939000000000, 0.0021296900000000 ] - [ 0.0001555300000000, -0.0004468300000000, 0.0001945500000000 ] - [ 0.0000465400000000, -0.0004056300000000, -0.0001686600000000 ] - [ -0.0000036300000000, -0.0002319000000000, -0.0000461100000000 ] - [ 0.0015316000000000, 0.0005714200000000, -0.0035800600000000 ] - [ -0.0017817200000000, 0.0035330800000000, 0.0042753000000000 ] - [ 0.0001202300000000, -0.0006081000000000, -0.0000507400000000 ] - [ 0.0005626200000000, 0.0010230800000000, -0.0011864200000000 ] - [ 0.0012446300000000, -0.0017657500000000, 0.0029007000000000 ] - [ -0.0000771700000000, -0.0089543600000000, 0.0084726200000000 ] - [ -0.0007866200000000, 0.0013481500000000, 0.0005486500000000 ] - [ -0.0001238000000000, 0.0001468100000000, 0.0010801900000000 ] - [ -0.0065666000000000, 0.0136563000000000, 0.0100793600000000 ] - [ -0.0010279200000000, 0.0006241100000000, -0.0014520900000000 ] - [ -0.0000215600000000, 0.0005280100000000, -0.0005976900000000 ] - [ -0.0013063100000000, 0.0022526700000000, -0.0010936600000000 ] - [ 0.0023288700000000, -0.0021091600000000, 0.0004223100000000 ] - [ -0.0017471300000000, -0.0007636200000000, 0.0070938700000000 ] - [ 0.0005614600000000, 0.0003509300000000, -0.0000932300000000 ] - [ 0.0003437800000000, 0.0002687900000000, -0.0000382600000000 ] - [ 0.0014346000000000, 0.0030007100000000, -0.0043790900000000 ] - [ -0.0024429900000000, 0.0023728100000000, 0.0017111800000000 ] - [ -0.0003130800000000, 0.0002448100000000, 0.0002012100000000 ] - [ 0.0001036300000000, -0.0000577600000000, 0.0002905700000000 ] - [ 0.0028583700000000, -0.0008071500000000, 0.0040301100000000 ] - [ -0.0176410500000000, 0.0046992000000000, 0.0025679500000000 ] - [ 0.0005977500000000, 0.0012137100000000, -0.0007447000000000 ] - [ -0.0001165300000000, 0.0001389500000000, -0.0001669000000000 ] - [ -0.0002785900000000, 0.0012230700000000, 0.0011612900000000 ] - [ 0.0004185600000000, 0.0007313500000000, -0.0011549800000000 ] - [ 0.0000575400000000, 0.0000904900000000, 0.0002114200000000 ] - [ 0.0008192800000000, -0.0015944900000000, -0.0011958400000000 ] - [ 0.0029455400000000, 0.0001453100000000, 0.0043680500000000 ] - [ 0.0060927800000000, 0.0069436000000000, 0.0181256900000000 ] - [ -0.0002307600000000, -0.0000787300000000, -0.0011459500000000 ] - [ -0.0006138000000000, 0.0011531700000000, 0.0003893700000000 ] - [ -0.0002063700000000, 0.0021989100000000, 0.0004513300000000 ] - [ -0.0000330200000000, 0.0003102400000000, -0.0007802000000000 ] - [ 0.0005798000000000, 0.0011162800000000, -0.0002107400000000 ] - [ -0.0003692700000000, 0.0099296300000000, -0.0041916700000000 ] - [ -0.0005414100000000, 0.0021801300000000, -0.0015116600000000 ] - [ -0.0015050300000000, -0.0026978800000000, 0.0030978800000000 ] - [ 0.0005827800000000, -0.0009865000000000, 0.0007152900000000 ] - [ -0.0000333500000000, 0.0002021600000000, -0.0002615600000000 ] - [ -0.0000490000000000, 0.0017696000000000, -0.0006809200000000 ] - [ 0.0001380900000000, 0.0019087000000000, 0.0006197100000000 ] - [ 0.0000136600000000, 0.0006169600000000, 0.0004712000000000 ] - [ 0.0044567400000000, -0.0087456500000000, 0.0253314400000000 ] - [ 0.0002861700000000, -0.0003829500000000, 0.0005102700000000 ] - [ -0.0001891700000000, 0.0015773400000000, 0.0016238500000000 ] - [ 0.0000926600000000, -0.0033221500000000, -0.0071050200000000 ] - [ -0.0003014900000000, -0.0011665000000000, 0.0011634900000000 ] - [ -0.0000530800000000, 0.0012260600000000, 0.0001123100000000 ] - [ 0.0000169100000000, 0.0010708900000000, -0.0002913200000000 ] - [ -0.0000986100000000, -0.0017210500000000, -0.0008162400000000 ] - [ -0.0235217700000000, -0.1334455300000000, -0.2831546900000000 ] - [ 0.0002621100000000, 0.0013879600000000, 0.0004787300000000 ] - [ -0.0001500400000000, 0.0001440000000000, 0.0009209700000000 ] - [ 0.0004331100000000, -0.0030646300000000, 0.0026117100000000 ] - [ 0.0000363000000000, -0.0008485600000000, -0.0015534500000000 ] - [ -0.0000411500000000, 0.0003755300000000, 0.0004210800000000 ] - [ 0.0000774500000000, 0.0002924900000000, -0.0005988000000000 ] - [ 0.0002143500000000, -0.0009525000000000, 0.0045877300000000 ] - [ 0.0001858500000000, 0.0004906300000000, 0.0003459300000000 ] - [ 0.0153597600000000, 0.0013843200000000, 0.0028174900000000 ] - [ -0.0000447900000000, 0.0004389900000000, -0.0001538600000000 ] - [ -0.0009478300000000, -0.0013172300000000, 0.0010324600000000 ] - [ -0.0026648700000000, -0.0053770000000000, -0.0004927000000000 ] - [ 0.0065844300000000, -0.0014005500000000, 0.0111168500000000 ] - [ 0.0048158700000000, 0.0006717400000000, -0.0176044100000000 ] - [ 0.0005120000000000, 0.0014371500000000, -0.0005723100000000 ] - [ 0.0007148800000000, -0.0014920300000000, 0.0001668400000000 ] - [ -0.0005322400000000, -0.0009754900000000, 0.0026564000000000 ] - [ -0.0003600900000000, -0.0018605700000000, -0.0021690800000000 ] - [ -0.0006399600000000, -0.0018004600000000, -0.0001802400000000 ] - [ -0.0004634400000000, 0.0025646700000000, 0.0001388200000000 ] - [ -0.0029471800000000, 0.0025768100000000, -0.0048793700000000 ] - [ -0.0273907100000000, 0.0638776800000000, 0.0802010700000000 ] - [ -0.0007016200000000, -0.0019880100000000, 0.0014218000000000 ] - [ 0.0004915800000000, -0.0019362400000000, -0.0005023200000000 ] - [ -0.0004084100000000, -0.0018336400000000, -0.0036133200000000 ] - [ -0.0002137000000000, 0.0001198700000000, 0.0025034600000000 ] - [ -0.0004232500000000, -0.0018071500000000, 0.0003990100000000 ] - [ 0.0485280500000000, 0.0428569600000000, 0.1438790400000000 ] - [ 0.0004328000000000, -0.0010146300000000, -0.0012823400000000 ] - [ -0.0001516600000000, -0.0019954500000000, -0.0013679600000000 ] - [ -0.0075343700000000, 0.0089827200000000, 0.0029061600000000 ] - [ -0.0005747600000000, 0.0030642400000000, -0.0010140300000000 ] - [ -0.0007573900000000, -0.0012554600000000, 0.0004797100000000 ] - [ 0.0007569300000000, -0.0010485400000000, 0.0002532600000000 ] - [ 0.0037022400000000, 0.0056694800000000, -0.0043234400000000 ] - [ -0.0064511300000000, 0.0081155800000000, -0.0123081700000000 ] - [ 0.0001131100000000, -0.0012922300000000, 0.0021774800000000 ] - [ 0.0060423300000000, -0.0099783000000000, 0.0051421100000000 ] - [ 0.0000864200000000, -0.0010586700000000, -0.0003441900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014732800000000, 0.0021458600000000, 0.0019411100000000 ] - [ 0.0008848000000000, -0.0019015800000000, -0.0021025000000000 ] - [ -0.0001548900000000, 0.0010270000000000, -0.0001910700000000 ] - [ -0.0000464000000000, -0.0001793000000000, 0.0001663800000000 ] - [ 0.0000040500000000, 0.0002325800000000, 0.0000458100000000 ] - [ -0.0015252500000000, -0.0005730600000000, 0.0035707300000000 ] - [ 0.0017300000000000, -0.0034925100000000, -0.0043063700000000 ] - [ -0.0001181300000000, 0.0006031400000000, 0.0000473400000000 ] - [ 0.0002048300000000, -0.0000080700000000, -0.0005208300000000 ] - [ -0.0004847700000000, 0.0007603000000000, -0.0011884600000000 ] - [ -0.0007145200000000, 0.0080332300000000, -0.0102700100000000 ] - [ 0.0000133800000000, -0.0003292300000000, 0.0011507600000000 ] - [ -0.0006417700000000, -0.0011561300000000, 0.0006263400000000 ] - [ 0.0056805800000000, -0.0123704800000000, -0.0115234600000000 ] - [ 0.0017869600000000, 0.0003670500000000, 0.0031347700000000 ] - [ 0.0007830500000000, -0.0015299800000000, -0.0011083600000000 ] - [ 0.0002313700000000, -0.0015326200000000, 0.0009760200000000 ] - [ -0.0034208100000000, 0.0014128500000000, -0.0003070100000000 ] - [ 0.0028018200000000, 0.0000741600000000, -0.0071809400000000 ] - [ 0.0005056400000000, 0.0003499100000000, 0.0001982000000000 ] - [ 0.0007159000000000, -0.0009578600000000, 0.0001416800000000 ] - [ -0.0003579800000000, -0.0023449400000000, 0.0042436300000000 ] - [ 0.0013674500000000, -0.0016705800000000, -0.0016015700000000 ] - [ -0.0007440500000000, -0.0009322000000000, -0.0003015100000000 ] - [ 0.0001434200000000, 0.0006084300000000, 0.0002683400000000 ] - [ -0.0025764700000000, 0.0002535600000000, -0.0045588100000000 ] - [ 0.0174869000000000, -0.0052874600000000, -0.0020119500000000 ] - [ -0.0008310900000000, -0.0006507100000000, 0.0001870900000000 ] - [ -0.0001426200000000, -0.0006879600000000, -0.0003864000000000 ] - [ 0.0000213400000000, -0.0006669500000000, -0.0006063300000000 ] - [ -0.0001688500000000, -0.0001778700000000, 0.0005998500000000 ] - [ 0.0002063700000000, -0.0006422100000000, 0.0003464900000000 ] - [ 0.0001137300000000, 0.0003549500000000, 0.0009318000000000 ] - [ -0.0020236500000000, 0.0010768800000000, -0.0041125200000000 ] - [ -0.0071198800000000, -0.0058893200000000, -0.0186581300000000 ] - [ -0.0006986800000000, -0.0011461700000000, 0.0013893700000000 ] - [ -0.0003154200000000, 0.0000793100000000, -0.0001366800000000 ] - [ -0.0007210500000000, -0.0034039100000000, -0.0007045000000000 ] - [ 0.0009610100000000, -0.0015348700000000, 0.0010267200000000 ] - [ 0.0003448900000000, 0.0001167500000000, -0.0000348600000000 ] - [ 0.0005787000000000, -0.0089023300000000, 0.0040056500000000 ] - [ 0.0007347600000000, -0.0030753400000000, 0.0017702900000000 ] - [ 0.0012997500000000, 0.0017719300000000, -0.0033352100000000 ] - [ -0.0007684500000000, 0.0018635900000000, -0.0004602600000000 ] - [ -0.0001621900000000, -0.0010954200000000, 0.0005137000000000 ] - [ -0.0001446300000000, -0.0008758400000000, 0.0004252000000000 ] - [ 0.0000563400000000, -0.0010062000000000, -0.0003645700000000 ] - [ 0.0001826800000000, -0.0015089100000000, -0.0007215500000000 ] - [ -0.0040378700000000, 0.0094217000000000, -0.0242005200000000 ] - [ -0.0000125200000000, -0.0005293900000000, -0.0012380900000000 ] - [ -0.0000801600000000, -0.0024719600000000, -0.0008719400000000 ] - [ -0.0003720300000000, 0.0042215400000000, 0.0063603600000000 ] - [ 0.0000263200000000, 0.0002584500000000, -0.0018813000000000 ] - [ -0.0002242800000000, -0.0003186200000000, 0.0006095600000000 ] - [ 0.0002602600000000, -0.0001666600000000, -0.0004343300000000 ] - [ 0.0003746900000000, 0.0008172700000000, 0.0015482400000000 ] - [ 0.0185953600000000, 0.1332229700000000, 0.2780213800000000 ] - [ 0.0000453300000000, -0.0006981900000000, -0.0009847700000000 ] - [ -0.0001602500000000, 0.0005368200000000, -0.0004000900000000 ] - [ -0.0007462800000000, 0.0023750600000000, -0.0031323600000000 ] - [ -0.0003430300000000, 0.0015349400000000, 0.0010420600000000 ] - [ -0.0002669100000000, -0.0010640200000000, 0.0000809800000000 ] - [ 0.0002278900000000, -0.0009763800000000, 0.0000915200000000 ] - [ 0.0000958600000000, 0.0016448700000000, -0.0040756500000000 ] - [ -0.0001802200000000, -0.0005142700000000, -0.0003442300000000 ] - [ -0.0151951700000000, -0.0012980800000000, -0.0028121000000000 ] - [ 0.0000437500000000, -0.0004026200000000, 0.0001528900000000 ] - [ 0.0009497900000000, 0.0012907400000000, -0.0010283500000000 ] - [ 0.0014050200000000, 0.0061697200000000, 0.0002136600000000 ] - [ -0.0077482300000000, 0.0005454200000000, -0.0108610200000000 ] - [ -0.0035944300000000, -0.0015358000000000, 0.0172657200000000 ] - [ 0.0006991600000000, -0.0005627000000000, 0.0008312600000000 ] - [ 0.0004979500000000, 0.0006257100000000, 0.0000950900000000 ] - [ 0.0017490600000000, 0.0018420000000000, -0.0029256000000000 ] - [ -0.0008493500000000, 0.0027089700000000, 0.0024263200000000 ] - [ -0.0005752900000000, 0.0009279600000000, -0.0000828700000000 ] - [ -0.0000385000000000, -0.0015124300000000, -0.0001180600000000 ] - [ 0.0024337000000000, -0.0035935700000000, 0.0048641400000000 ] - [ 0.0295098800000000, -0.0686015900000000, -0.0827944100000000 ] - [ 0.0011925200000000, 0.0030072300000000, -0.0014375900000000 ] - [ 0.0000063100000000, 0.0009042900000000, 0.0004915900000000 ] - [ 0.0008952800000000, 0.0028397000000000, 0.0036111100000000 ] - [ -0.0002827100000000, 0.0009045100000000, -0.0025149900000000 ] - [ -0.0000758800000000, 0.0007774900000000, -0.0003923100000000 ] - [ -0.0439059300000000, -0.0394909800000000, -0.1356047300000000 ] - [ 0.0007240600000000, 0.0008398300000000, 0.0009304200000000 ] - [ -0.0010009500000000, 0.0018063500000000, 0.0016976300000000 ] - [ 0.0063801200000000, -0.0087797900000000, -0.0032054200000000 ] - [ -0.0005807300000000, -0.0032413300000000, 0.0006706500000000 ] - [ -0.0004041000000000, 0.0014232300000000, -0.0001304200000000 ] - [ 0.0004018800000000, 0.0012171800000000, -0.0005904200000000 ] - [ -0.0025544500000000, -0.0058491500000000, 0.0046436200000000 ] - [ 0.0064813100000000, -0.0072580500000000, 0.0122928200000000 ] - [ -0.0001073800000000, 0.0004170800000000, -0.0021504300000000 ] - [ -0.0060036700000000, 0.0090570400000000, -0.0050822300000000 ] - [ -0.0000866400000000, 0.0019260700000000, 0.0003398100000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029111200000000, -0.0002823000000000, 0.0011904500000000 ] - [ -0.0010067500000000, 0.0002914800000000, -0.0002187600000000 ] - [ 0.0001786400000000, 0.0002916400000000, -0.0000580400000000 ] - [ -0.0004345700000000, -0.0002874600000000, 0.0002668600000000 ] - [ -0.0034029700000000, 0.0011932500000000, -0.0018505800000000 ] - [ 0.0001351300000000, -0.0000015300000000, 0.0000266800000000 ] - [ 0.0001347100000000, 0.0000042900000000, 0.0000263600000000 ] - [ -0.0034023900000000, -0.0012052600000000, -0.0018595800000000 ] - [ 0.0010346800000000, 0.0000226700000000, -0.0012298200000000 ] - [ 0.0003340800000000, -0.0006692300000000, 0.0008515700000000 ] - [ -0.0004244700000000, -0.0003398900000000, -0.0008631400000000 ] - [ 0.0002745800000000, 0.0009885400000000, 0.0004857900000000 ] - [ 0.0300418200000000, 0.0107323400000000, 0.0048199200000000 ] - [ -0.0004783900000000, 0.0006143700000000, -0.0008207300000000 ] - [ 0.0002808600000000, 0.0003906700000000, 0.0008905600000000 ] - [ 0.0313133600000000, -0.0118686100000000, 0.0033145800000000 ] - [ 0.0015701500000000, 0.0000976200000000, 0.0019190400000000 ] - [ -0.0008049000000000, -0.0007475100000000, 0.0001519100000000 ] - [ 0.0002632000000000, 0.0000474400000000, 0.0000474900000000 ] - [ 0.0026532100000000, 0.0006177900000000, 0.0020393300000000 ] - [ 0.0045115300000000, 0.0005816200000000, -0.0011407000000000 ] - [ 0.0004659500000000, 0.0003073100000000, 0.0000012700000000 ] - [ -0.0006071200000000, 0.0003944600000000, 0.0001113000000000 ] - [ 0.0034381400000000, -0.0013086400000000, -0.0012862900000000 ] - [ -0.0043963900000000, 0.0007811500000000, 0.0008342700000000 ] - [ 0.0009998400000000, -0.0003438000000000, -0.0003442000000000 ] - [ 0.0007347900000000, -0.0002086700000000, 0.0002224100000000 ] - [ -0.0046322200000000, -0.0002338200000000, 0.0002633200000000 ] - [ -0.0021322600000000, -0.0001552700000000, -0.0001966200000000 ] - [ 0.0000229300000000, 0.0002934600000000, 0.0002946300000000 ] - [ 0.0002591900000000, 0.0002542800000000, -0.0002710900000000 ] - [ -0.0018854100000000, -0.0003697800000000, 0.0003523400000000 ] - [ 0.0016289400000000, -0.0000060500000000, -0.0024049700000000 ] - [ -0.0002186700000000, -0.0004678400000000, -0.0002435000000000 ] - [ -0.0011370300000000, 0.0016960200000000, -0.0004810000000000 ] - [ 0.0007011800000000, -0.0012166500000000, -0.0021445300000000 ] - [ 0.0001730400000000, 0.0026110400000000, 0.0004707400000000 ] - [ -0.0005202400000000, -0.0006387900000000, -0.0001060200000000 ] - [ 0.0004100200000000, -0.0005967300000000, 0.0001452400000000 ] - [ 0.0010963600000000, -0.0013990600000000, 0.0002233100000000 ] - [ 0.0008389700000000, 0.0025479700000000, 0.0014336700000000 ] - [ -0.0005016500000000, -0.0030863000000000, -0.0003461800000000 ] - [ -0.0006995000000000, 0.0021973100000000, -0.0006029100000000 ] - [ 0.0006514500000000, -0.0016661300000000, 0.0017044300000000 ] - [ -0.0001564000000000, -0.0002043900000000, 0.0000952100000000 ] - [ -0.0002507000000000, 0.0000955400000000, 0.0000094900000000 ] - [ -0.0000594600000000, 0.0007746300000000, 0.0002673200000000 ] - [ 0.0000326900000000, -0.0006899300000000, -0.0001616000000000 ] - [ 0.0003486500000000, 0.0007987600000000, 0.0002613900000000 ] - [ 0.0033571800000000, -0.0151376300000000, 0.0120856900000000 ] - [ 0.0030048500000000, 0.0143556400000000, 0.0128475700000000 ] - [ 0.0000702600000000, 0.0001145800000000, -0.0004748200000000 ] - [ -0.0000979900000000, -0.0003231600000000, -0.0004296700000000 ] - [ -0.0005127100000000, 0.0002004100000000, 0.0006265500000000 ] - [ -0.0002339200000000, 0.0007220500000000, -0.0000962800000000 ] - [ 0.0001765400000000, -0.0006036100000000, 0.0003119400000000 ] - [ 0.0001290600000000, 0.0000870800000000, 0.0004181700000000 ] - [ 0.0095626100000000, -0.0111291800000000, -0.0154341500000000 ] - [ 0.0093315200000000, 0.0119657500000000, -0.0151067700000000 ] - [ -0.0001905700000000, -0.0007838000000000, -0.0000829300000000 ] - [ -0.0001487900000000, 0.0003361300000000, -0.0003062000000000 ] - [ -0.0003849200000000, -0.0007909700000000, 0.0012187900000000 ] - [ -0.0000670200000000, 0.0001181600000000, 0.0006834300000000 ] - [ 0.0001657300000000, 0.0003399000000000, 0.0002163800000000 ] - [ -0.4014377000000000, -0.0052075000000000, -0.0063705400000000 ] - [ 0.0003127800000000, 0.0000094700000000, 0.0000183900000000 ] - [ -0.0009194000000000, 0.0000101600000000, 0.0001092800000000 ] - [ 0.0001436700000000, -0.0000071500000000, -0.0000367800000000 ] - [ 0.0003828900000000, 0.0003921700000000, -0.0115988700000000 ] - [ -0.0017188000000000, 0.0011082200000000, 0.0002873300000000 ] - [ -0.0005080500000000, -0.0019565600000000, 0.0000223100000000 ] - [ 0.0015852500000000, 0.0004689900000000, -0.0113884300000000 ] - [ 0.0020146100000000, -0.0023781600000000, 0.0009051600000000 ] - [ 0.0004606600000000, 0.0007556400000000, -0.0002155300000000 ] - [ -0.0007511700000000, 0.0001054200000000, 0.0000435000000000 ] - [ 0.0008280300000000, 0.0015374500000000, 0.0006600800000000 ] - [ 0.0070097200000000, -0.0072371400000000, 0.0087023300000000 ] - [ -0.0007354900000000, 0.0017128100000000, 0.0003982700000000 ] - [ -0.0002384300000000, -0.0027231700000000, 0.0004074000000000 ] - [ 0.0074664700000000, 0.0082582800000000, 0.0086954000000000 ] - [ 0.0015665300000000, -0.0031001000000000, -0.0016439500000000 ] - [ 0.0001402000000000, 0.0005880400000000, 0.0000878500000000 ] - [ -0.0003603200000000, 0.0004421900000000, 0.0000756500000000 ] - [ 0.0010885300000000, 0.0020834000000000, -0.0016538200000000 ] - [ 0.0004097200000000, -0.0003128000000000, -0.0000213600000000 ] - [ 0.1550418300000000, -0.0690379800000000, -0.0003624300000000 ] - [ 0.1632648500000000, 0.0738572300000000, 0.0000281000000000 ] - [ -0.0007486800000000, 0.0004992400000000, -0.0003565000000000 ] - [ -0.0007189900000000, -0.0001129000000000, -0.0000626600000000 ] - [ 0.0004842200000000, 0.0002902000000000, -0.0003288500000000 ] - [ 0.0016373800000000, -0.0001271000000000, -0.0006713900000000 ] - [ 0.0004417800000000, -0.0000595000000000, 0.0002727500000000 ] - [ 0.0013449200000000, 0.0004457800000000, 0.0002916500000000 ] - [ -0.0048263000000000, -0.0004432400000000, 0.0000171100000000 ] - [ 0.0002607000000000, -0.0004344800000000, -0.0000672000000000 ] - [ -0.0173709700000000, 0.0004697600000000, 0.0111874200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0020141000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001414300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000841300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009616500000000, 0.0000000000000000 ] - [ -0.0003451900000000, 0.0017427700000000, -0.0008316200000000 ] - [ 0.0000163900000000, -0.0005798500000000, 0.0000330100000000 ] - [ -0.0000163900000000, -0.0005798500000000, -0.0000330100000000 ] - [ 0.0003451900000000, 0.0017427700000000, 0.0008316200000000 ] - [ -0.0003942500000000, -0.0016322300000000, -0.0008051000000000 ] - [ -0.0000253500000000, 0.0006611000000000, 0.0008864800000000 ] - [ 0.0000253500000000, 0.0006611000000000, -0.0008864800000000 ] - [ 0.0003942500000000, -0.0016322300000000, 0.0008051000000000 ] - [ 0.0065035900000000, -0.0035290700000000, 0.0032001200000000 ] - [ -0.0007606600000000, 0.0015608700000000, -0.0008188100000000 ] - [ 0.0007606600000000, 0.0015608700000000, 0.0008188100000000 ] - [ -0.0065035900000000, -0.0035290700000000, -0.0032001200000000 ] - [ 0.0003500800000000, -0.0014643800000000, 0.0013625500000000 ] - [ -0.0003917200000000, 0.0004597000000000, 0.0000066700000000 ] - [ 0.0003917200000000, 0.0004597000000000, -0.0000066700000000 ] - [ -0.0003500800000000, -0.0014643800000000, -0.0013625500000000 ] - [ 0.0014419900000000, 0.0001958700000000, -0.0009915800000000 ] - [ 0.0007748100000000, 0.0012186500000000, -0.0002157500000000 ] - [ -0.0007748100000000, 0.0012186500000000, 0.0002157500000000 ] - [ -0.0014419900000000, 0.0001958700000000, 0.0009915800000000 ] - [ 0.0008432300000000, -0.0000941000000000, -0.0006289300000000 ] - [ -0.0000237200000000, 0.0002730900000000, -0.0003307900000000 ] - [ 0.0000237200000000, 0.0002730900000000, 0.0003307900000000 ] - [ -0.0008432300000000, -0.0000941000000000, 0.0006289300000000 ] - [ -0.0000300900000000, 0.0037912300000000, 0.0026142600000000 ] - [ -0.0001234000000000, 0.0008395200000000, 0.0003376400000000 ] - [ 0.0001234000000000, 0.0008395200000000, -0.0003376400000000 ] - [ 0.0000300900000000, 0.0037912300000000, -0.0026142600000000 ] - [ 0.0006687500000000, -0.0011631500000000, -0.0004068000000000 ] - [ 0.0006776000000000, 0.0018221300000000, 0.0002785400000000 ] - [ -0.0006776000000000, 0.0018221300000000, -0.0002785400000000 ] - [ -0.0006687500000000, -0.0011631500000000, 0.0004068000000000 ] - [ -0.0002392400000000, 0.0010938300000000, 0.0004552400000000 ] - [ -0.0003069600000000, 0.0001595800000000, 0.0000590200000000 ] - [ 0.0003069600000000, 0.0001595800000000, -0.0000590200000000 ] - [ 0.0002392400000000, 0.0010938300000000, -0.0004552400000000 ] - [ 0.0005239200000000, 0.0020810400000000, 0.0010583500000000 ] - [ -0.0002032600000000, 0.0003021800000000, 0.0005268400000000 ] - [ 0.0002032600000000, 0.0003021800000000, -0.0005268400000000 ] - [ -0.0005239200000000, 0.0020810400000000, -0.0010583500000000 ] - [ 0.0003498600000000, 0.0011580900000000, -0.0002442200000000 ] - [ -0.0005850600000000, 0.0019820900000000, -0.0006661200000000 ] - [ 0.0005850600000000, 0.0019820900000000, 0.0006661200000000 ] - [ -0.0003498600000000, 0.0011580900000000, 0.0002442200000000 ] - [ 0.0000200000000000, 0.0011765600000000, 0.0000534300000000 ] - [ -0.0091158300000000, 0.0063535300000000, -0.0099743400000000 ] - [ 0.0091158300000000, 0.0063535300000000, 0.0099743400000000 ] - [ -0.0000200000000000, 0.0011765600000000, -0.0000534300000000 ] - [ -0.0002343200000000, 0.0004753100000000, -0.0006869800000000 ] - [ -0.0004257300000000, -0.0001346900000000, 0.0014840500000000 ] - [ 0.0004257300000000, -0.0001346900000000, -0.0014840500000000 ] - [ 0.0002343200000000, 0.0004753100000000, 0.0006869800000000 ] - [ 0.0000328100000000, 0.0005804300000000, 0.0007567600000000 ] - [ -0.0027494300000000, -0.0020306000000000, 0.0011027700000000 ] - [ 0.0027494300000000, -0.0020306000000000, -0.0011027700000000 ] - [ -0.0000328100000000, 0.0005804300000000, -0.0007567600000000 ] - [ -0.0002643900000000, 0.0012464900000000, 0.0001744100000000 ] - [ -0.0005319900000000, -0.0012158000000000, -0.0010470200000000 ] - [ 0.0005319900000000, -0.0012158000000000, 0.0010470200000000 ] - [ 0.0002643900000000, 0.0012464900000000, -0.0001744100000000 ] - [ 0.0000000000000000, -0.1177141100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005763500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009011000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005889100000000, 0.0000000000000000 ] - [ -0.0007556500000000, 0.0022567300000000, -0.0076490000000000 ] - [ -0.0007685400000000, -0.0018148400000000, -0.0002580100000000 ] - [ 0.0007685400000000, -0.0018148400000000, 0.0002580100000000 ] - [ 0.0007556500000000, 0.0022567300000000, 0.0076490000000000 ] - [ -0.0015482000000000, -0.0024364700000000, 0.0023615500000000 ] - [ 0.0006184800000000, -0.0013409900000000, -0.0003297000000000 ] - [ -0.0006184800000000, -0.0013409900000000, 0.0003297000000000 ] - [ 0.0015482000000000, -0.0024364700000000, -0.0023615500000000 ] - [ -0.0007597900000000, 0.0001172500000000, 0.0016598000000000 ] - [ -0.0003643100000000, -0.0029118400000000, -0.0000167800000000 ] - [ 0.0003643100000000, -0.0029118400000000, 0.0000167800000000 ] - [ 0.0007597900000000, 0.0001172500000000, -0.0016598000000000 ] - [ -0.0020301100000000, -0.0019378700000000, -0.0024043900000000 ] - [ 0.0000078800000000, -0.0013438900000000, -0.0003758500000000 ] - [ -0.0000078800000000, -0.0013438900000000, 0.0003758500000000 ] - [ 0.0020301100000000, -0.0019378700000000, 0.0024043900000000 ] - [ 0.0007929800000000, -0.0015251400000000, -0.0001334800000000 ] - [ -0.0730298700000000, 0.0541317700000000, -0.0002210600000000 ] - [ 0.0730298700000000, 0.0541317700000000, 0.0002210600000000 ] - [ -0.0007929800000000, -0.0015251400000000, 0.0001334800000000 ] - [ -0.0003091200000000, -0.0018395300000000, -0.0003773700000000 ] - [ 0.0000734800000000, 0.0027926800000000, 0.0007693300000000 ] - [ -0.0000734800000000, 0.0027926800000000, -0.0007693300000000 ] - [ 0.0003091200000000, -0.0018395300000000, 0.0003773700000000 ] - [ 0.0000000000000000, -0.0019610800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026554300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024715800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008104800000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0014228100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004423700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006658200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003755900000000, 0.0000000000000000 ] - [ 0.0003443300000000, -0.0017371700000000, 0.0008275300000000 ] - [ -0.0000162700000000, 0.0005779700000000, -0.0000330200000000 ] - [ 0.0000162700000000, 0.0005779700000000, 0.0000330200000000 ] - [ -0.0003443300000000, -0.0017371700000000, -0.0008275300000000 ] - [ 0.0011510900000000, 0.0026283900000000, -0.0009071600000000 ] - [ 0.0008000200000000, -0.0016731500000000, 0.0008160500000000 ] - [ -0.0008000200000000, -0.0016731500000000, -0.0008160500000000 ] - [ -0.0011510900000000, 0.0026283900000000, 0.0009071600000000 ] - [ -0.0073272600000000, 0.0025012000000000, -0.0015359000000000 ] - [ -0.0000139900000000, -0.0005413800000000, -0.0008857300000000 ] - [ 0.0000139900000000, -0.0005413800000000, 0.0008857300000000 ] - [ 0.0073272600000000, 0.0025012000000000, 0.0015359000000000 ] - [ -0.0014062200000000, 0.0021541800000000, -0.0014563500000000 ] - [ -0.0006724800000000, -0.0011557600000000, 0.0000974900000000 ] - [ 0.0006724800000000, -0.0011557600000000, -0.0000974900000000 ] - [ 0.0014062200000000, 0.0021541800000000, 0.0014563500000000 ] - [ -0.0003787900000000, -0.0008987400000000, 0.0010977200000000 ] - [ 0.0002912300000000, -0.0005152300000000, 0.0001100200000000 ] - [ -0.0002912300000000, -0.0005152300000000, -0.0001100200000000 ] - [ 0.0003787900000000, -0.0008987400000000, -0.0010977200000000 ] - [ -0.0005744900000000, 0.0006507500000000, 0.0011805200000000 ] - [ 0.0002806600000000, -0.0008322900000000, -0.0002261300000000 ] - [ -0.0002806600000000, -0.0008322900000000, 0.0002261300000000 ] - [ 0.0005744900000000, 0.0006507500000000, -0.0011805200000000 ] - [ -0.0002254800000000, -0.0043974800000000, -0.0031964800000000 ] - [ -0.0001321100000000, -0.0002748800000000, 0.0002188000000000 ] - [ 0.0001321100000000, -0.0002748800000000, -0.0002188000000000 ] - [ 0.0002254800000000, -0.0043974800000000, 0.0031964800000000 ] - [ 0.0002541000000000, -0.0000679100000000, 0.0001618200000000 ] - [ 0.0002437600000000, -0.0005882400000000, -0.0000336800000000 ] - [ -0.0002437600000000, -0.0005882400000000, 0.0000336800000000 ] - [ -0.0002541000000000, -0.0000679100000000, -0.0001618200000000 ] - [ -0.0006817800000000, 0.0001378300000000, -0.0002070800000000 ] - [ -0.0006126900000000, -0.0013831700000000, -0.0003027900000000 ] - [ 0.0006126900000000, -0.0013831700000000, 0.0003027900000000 ] - [ 0.0006817800000000, 0.0001378300000000, 0.0002070800000000 ] - [ -0.0003310300000000, -0.0011743000000000, -0.0013045600000000 ] - [ 0.0003911600000000, -0.0011984900000000, -0.0002689100000000 ] - [ -0.0003911600000000, -0.0011984900000000, 0.0002689100000000 ] - [ 0.0003310300000000, -0.0011743000000000, 0.0013045600000000 ] - [ -0.0005373400000000, -0.0020457300000000, 0.0004992100000000 ] - [ 0.0003944900000000, -0.0010821000000000, 0.0004079900000000 ] - [ -0.0003944900000000, -0.0010821000000000, -0.0004079900000000 ] - [ 0.0005373400000000, -0.0020457300000000, -0.0004992100000000 ] - [ 0.0002455100000000, -0.0002771800000000, 0.0006792200000000 ] - [ 0.0092127700000000, -0.0071127600000000, 0.0091028400000000 ] - [ -0.0092127700000000, -0.0071127600000000, -0.0091028400000000 ] - [ -0.0002455100000000, -0.0002771800000000, -0.0006792200000000 ] - [ -0.0000329500000000, -0.0013648700000000, -0.0000498500000000 ] - [ 0.0001584500000000, 0.0010399400000000, -0.0007541900000000 ] - [ -0.0001584500000000, 0.0010399400000000, 0.0007541900000000 ] - [ 0.0000329500000000, -0.0013648700000000, 0.0000498500000000 ] - [ 0.0002696000000000, -0.0012734900000000, -0.0002519800000000 ] - [ 0.0030195600000000, 0.0027138000000000, -0.0015826200000000 ] - [ -0.0030195600000000, 0.0027138000000000, 0.0015826200000000 ] - [ -0.0002696000000000, -0.0012734900000000, 0.0002519800000000 ] - [ -0.0000364400000000, -0.0005456900000000, -0.0006720500000000 ] - [ 0.0002227900000000, 0.0005191900000000, 0.0015551600000000 ] - [ -0.0002227900000000, 0.0005191900000000, -0.0015551600000000 ] - [ 0.0000364400000000, -0.0005456900000000, 0.0006720500000000 ] - [ 0.0000000000000000, 0.1183541400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005411600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009187100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006230300000000, 0.0000000000000000 ] - [ -0.0004494600000000, -0.0013775300000000, 0.0073460900000000 ] - [ -0.0004471800000000, 0.0009500700000000, 0.0005187200000000 ] - [ 0.0004471800000000, 0.0009500700000000, -0.0005187200000000 ] - [ 0.0004494600000000, -0.0013775300000000, -0.0073460900000000 ] - [ 0.0027464100000000, 0.0015627200000000, -0.0020866400000000 ] - [ 0.0005960200000000, 0.0021940800000000, 0.0000666400000000 ] - [ -0.0005960200000000, 0.0021940800000000, -0.0000666400000000 ] - [ -0.0027464100000000, 0.0015627200000000, 0.0020866400000000 ] - [ 0.0002527200000000, 0.0009148300000000, -0.0016518500000000 ] - [ -0.0001319300000000, 0.0018749000000000, 0.0000074800000000 ] - [ 0.0001319300000000, 0.0018749000000000, -0.0000074800000000 ] - [ -0.0002527200000000, 0.0009148300000000, 0.0016518500000000 ] - [ 0.0025135400000000, 0.0009050400000000, 0.0023811200000000 ] - [ 0.0004871700000000, 0.0023622700000000, 0.0003846700000000 ] - [ -0.0004871700000000, 0.0023622700000000, -0.0003846700000000 ] - [ -0.0025135400000000, 0.0009050400000000, -0.0023811200000000 ] - [ 0.0003686700000000, 0.0016947800000000, 0.0004644300000000 ] - [ 0.0727534800000000, -0.0547147800000000, -0.0000990000000000 ] - [ -0.0727534800000000, -0.0547147800000000, 0.0000990000000000 ] - [ -0.0003686700000000, 0.0016947800000000, -0.0004644300000000 ] - [ -0.0008496000000000, 0.0016564100000000, 0.0000433500000000 ] - [ -0.0012274200000000, -0.0026022300000000, -0.0004227700000000 ] - [ 0.0012274200000000, -0.0026022300000000, 0.0004227700000000 ] - [ 0.0008496000000000, 0.0016564100000000, -0.0000433500000000 ] - [ 0.0000000000000000, 0.0028294600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0035197800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015862200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016812500000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008519100000000, -0.0002905000000000, 0.0014672100000000 ] - [ 0.0000592100000000, 0.0002908300000000, -0.0006685700000000 ] - [ -0.0000455500000000, 0.0002927000000000, -0.0003239100000000 ] - [ -0.0000530200000000, -0.0002917700000000, 0.0003186200000000 ] - [ 0.0003401200000000, -0.0007131000000000, -0.0005885700000000 ] - [ 0.0000001100000000, 0.0000517800000000, -0.0000135100000000 ] - [ 0.0000000300000000, -0.0000516800000000, -0.0000136100000000 ] - [ 0.0003423000000000, 0.0007125800000000, -0.0005823600000000 ] - [ 0.0003480500000000, 0.0007402200000000, 0.0004635400000000 ] - [ 0.0004208500000000, -0.0006080600000000, 0.0006873500000000 ] - [ -0.0003362900000000, -0.0003987900000000, -0.0010217400000000 ] - [ -0.0004180500000000, 0.0002743700000000, 0.0021690800000000 ] - [ 0.0054774400000000, 0.0022674300000000, -0.0027840000000000 ] - [ -0.0003884400000000, 0.0004865500000000, -0.0007082900000000 ] - [ 0.0003714300000000, 0.0005230500000000, 0.0009996500000000 ] - [ 0.0062598400000000, -0.0032715000000000, -0.0044869100000000 ] - [ 0.0000621300000000, 0.0001226400000000, 0.0018352800000000 ] - [ -0.0004381700000000, -0.0000371100000000, -0.0001909300000000 ] - [ 0.0006335900000000, -0.0006646600000000, -0.0002984500000000 ] - [ 0.0011386800000000, 0.0005880600000000, 0.0019492500000000 ] - [ -0.0002125500000000, -0.0013409400000000, -0.0005109800000000 ] - [ 0.0004787600000000, 0.0002679400000000, 0.0000497600000000 ] - [ -0.0005988100000000, 0.0004382600000000, 0.0001616700000000 ] - [ -0.0012749600000000, 0.0006419200000000, -0.0006124500000000 ] - [ 0.0003215400000000, -0.0009165000000000, 0.0016794100000000 ] - [ 0.0001203100000000, -0.0005838500000000, -0.0003608200000000 ] - [ -0.0001311200000000, 0.0000374200000000, 0.0002004200000000 ] - [ 0.0000793300000000, 0.0014750500000000, 0.0011168600000000 ] - [ -0.0000287800000000, 0.0027485100000000, 0.0005934100000000 ] - [ -0.0001006200000000, 0.0003965400000000, 0.0003407600000000 ] - [ 0.0001466900000000, 0.0001505200000000, -0.0002230800000000 ] - [ 0.0002366800000000, -0.0033142800000000, 0.0011553200000000 ] - [ -0.0001717800000000, -0.0008170100000000, 0.0018930900000000 ] - [ 0.0001575700000000, 0.0000037200000000, -0.0004590300000000 ] - [ -0.0007662200000000, 0.0012247400000000, -0.0007032700000000 ] - [ -0.0010915100000000, -0.0004128300000000, 0.0021316900000000 ] - [ -0.0002815200000000, 0.0009904000000000, -0.0005500100000000 ] - [ -0.0003842800000000, -0.0005004000000000, 0.0001072000000000 ] - [ 0.0005340800000000, -0.0007310600000000, 0.0003460600000000 ] - [ 0.0006327600000000, 0.0002464800000000, -0.0007830900000000 ] - [ 0.0004630500000000, 0.0017353800000000, 0.0004959000000000 ] - [ -0.0000974600000000, 0.0012791300000000, -0.0000820000000000 ] - [ -0.0002898000000000, -0.0021673600000000, -0.0003434500000000 ] - [ 0.0002705500000000, -0.0008547200000000, 0.0007593800000000 ] - [ -0.0003528900000000, -0.0011320100000000, 0.0001952400000000 ] - [ 0.0001671500000000, -0.0001518300000000, 0.0001465500000000 ] - [ 0.0003581200000000, 0.0010457500000000, 0.0004150500000000 ] - [ -0.0001583500000000, 0.0002385900000000, -0.0000649800000000 ] - [ 0.0001325600000000, 0.0001188200000000, 0.0008638900000000 ] - [ 0.0057748000000000, -0.0078709900000000, -0.0006306200000000 ] - [ 0.0055141700000000, 0.0069877900000000, 0.0000463800000000 ] - [ -0.0001472900000000, 0.0007913700000000, 0.0001273900000000 ] - [ -0.0001230000000000, -0.0003240900000000, -0.0005606500000000 ] - [ -0.0002108600000000, 0.0003394000000000, 0.0012832600000000 ] - [ 0.0000698400000000, 0.0005612000000000, 0.0005411500000000 ] - [ 0.0001542400000000, -0.0005895500000000, 0.0001757700000000 ] - [ 0.0001295400000000, -0.0000111500000000, 0.0005903300000000 ] - [ -0.0069825500000000, 0.0055832400000000, 0.0025620200000000 ] - [ -0.0072148700000000, -0.0048624600000000, 0.0030594700000000 ] - [ -0.0001831100000000, -0.0006776400000000, 0.0000864500000000 ] - [ -0.0001483500000000, 0.0002155100000000, -0.0004136300000000 ] - [ 0.0000508500000000, -0.0004336700000000, 0.0012785500000000 ] - [ 0.0003649700000000, -0.0002666800000000, 0.0007908300000000 ] - [ 0.0001655800000000, 0.0004698400000000, 0.0000981800000000 ] - [ -0.0063737700000000, 0.0004665800000000, -0.0241747700000000 ] - [ -0.0000038000000000, 0.0000148300000000, 0.0001643300000000 ] - [ 0.0001082000000000, 0.0000164500000000, 0.0012213600000000 ] - [ 0.0000425000000000, -0.0000149600000000, -0.0001185900000000 ] - [ -0.0025619700000000, -0.0014820900000000, -0.0047582900000000 ] - [ -0.0004340300000000, -0.0015720000000000, -0.0000660600000000 ] - [ 0.0007772400000000, 0.0007157700000000, -0.0003293700000000 ] - [ -0.0013263500000000, 0.0023177300000000, -0.0045232400000000 ] - [ 0.0019163200000000, 0.0013124900000000, -0.0007441600000000 ] - [ 0.0005491500000000, 0.0008685100000000, -0.0000537600000000 ] - [ -0.0006637300000000, -0.0000125200000000, 0.0002081100000000 ] - [ 0.0006991900000000, -0.0021684400000000, -0.0010146700000000 ] - [ -0.0004218000000000, 0.0053893900000000, -0.0042644000000000 ] - [ -0.0000983100000000, 0.0008930600000000, 0.0002504800000000 ] - [ 0.0003998800000000, -0.0019128300000000, 0.0002601500000000 ] - [ 0.0000922400000000, -0.0043788700000000, -0.0042743300000000 ] - [ -0.0013297600000000, -0.0019280300000000, -0.0006133600000000 ] - [ 0.0001475900000000, 0.0000582600000000, -0.0002459700000000 ] - [ -0.0003486000000000, 0.0009667400000000, -0.0002544000000000 ] - [ -0.0018293400000000, 0.0009110400000000, -0.0005986500000000 ] - [ 0.0004862800000000, 0.0002127200000000, -0.0004431600000000 ] - [ 0.0019536700000000, -0.0012542500000000, 0.0161835700000000 ] - [ -0.0001119500000000, 0.0005726100000000, 0.0164526200000000 ] - [ -0.0006743500000000, -0.0000351900000000, -0.0007764500000000 ] - [ -0.0005727300000000, -0.0001477400000000, 0.0001964700000000 ] - [ -0.0006044300000000, 0.0001323300000000, -0.0023146400000000 ] - [ 0.0005685200000000, 0.0000512200000000, -0.0026590300000000 ] - [ 0.0005905200000000, -0.0000281400000000, 0.0005304000000000 ] - [ 0.0002654900000000, 0.0004385700000000, 0.0010339500000000 ] - [ 0.0001009300000000, -0.0004398100000000, -0.0043743100000000 ] - [ -0.0000282700000000, -0.0004386400000000, -0.0004010900000000 ] - [ -0.0013131600000000, 0.0004237300000000, 0.0052987100000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006676100000000, -0.0022609100000000, 0.0037950600000000 ] - [ 0.0033816300000000, 0.0020137200000000, 0.0027730900000000 ] - [ -0.0001491000000000, 0.0003300900000000, 0.0000110500000000 ] - [ 0.0000987600000000, -0.0002411000000000, -0.0000351800000000 ] - [ 0.0007002800000000, 0.0002679200000000, 0.0010913900000000 ] - [ -0.0001893700000000, -0.0000759000000000, 0.0001150300000000 ] - [ -0.0006093400000000, 0.0000470400000000, -0.0003650100000000 ] - [ 0.0052916400000000, -0.0051945500000000, -0.0025877400000000 ] - [ 0.0010990800000000, 0.0055294500000000, -0.0074529400000000 ] - [ 0.0004003600000000, -0.0001719200000000, 0.0007077700000000 ] - [ -0.0001551100000000, -0.0005187400000000, -0.0007167200000000 ] - [ -0.0059441500000000, 0.0017894000000000, 0.0008462800000000 ] - [ -0.0016676400000000, -0.0022414700000000, -0.0000227100000000 ] - [ -0.0000437200000000, 0.0000335100000000, -0.0012785500000000 ] - [ 0.0007145400000000, 0.0008140800000000, 0.0008968700000000 ] - [ 0.0014130300000000, -0.0008282300000000, 0.0015414900000000 ] - [ 0.0862711100000000, -0.0892635200000000, 0.0421301300000000 ] - [ 0.0000739100000000, 0.0015846800000000, -0.0005017300000000 ] - [ 0.0007546300000000, -0.0003432600000000, -0.0000108100000000 ] - [ -0.0015280000000000, -0.0001971300000000, -0.0009895900000000 ] - [ 0.0000116000000000, -0.0008923300000000, 0.0005445800000000 ] - [ 0.0006280100000000, 0.0000419400000000, -0.0000193500000000 ] - [ -0.0004251600000000, 0.0003273500000000, -0.0000279600000000 ] - [ -0.0007616600000000, -0.0004024300000000, -0.0003981700000000 ] - [ 0.0014570900000000, 0.0002168400000000, 0.0024157000000000 ] - [ -0.0004200900000000, -0.0000718900000000, -0.0003438900000000 ] - [ -0.0064161600000000, -0.0011934200000000, 0.0011288800000000 ] - [ 0.1567071000000000, 0.0246693100000000, -0.0647288100000000 ] - [ 0.0000551100000000, -0.0005365800000000, -0.0004845300000000 ] - [ -0.0002074500000000, 0.0002360100000000, 0.0002409900000000 ] - [ -0.0000506700000000, 0.0002420100000000, -0.0002368000000000 ] - [ 0.0007292500000000, -0.0006829500000000, 0.0005221100000000 ] - [ 0.0030574100000000, -0.0031026400000000, -0.0082976600000000 ] - [ 0.0009292300000000, 0.0014592200000000, -0.0002376400000000 ] - [ 0.0031822600000000, -0.0004368100000000, 0.0032720900000000 ] - [ -0.0212947000000000, -0.0035808800000000, 0.0042978300000000 ] - [ -0.0005393500000000, 0.0002452000000000, 0.0000626200000000 ] - [ -0.0004461700000000, -0.0007089700000000, -0.0002056900000000 ] - [ 0.0005586200000000, -0.0006560200000000, 0.0001455600000000 ] - [ 0.0002564900000000, 0.0005904800000000, 0.0001934500000000 ] - [ 0.0385913300000000, 0.0517264200000000, 0.0163486300000000 ] - [ -0.0110054100000000, 0.0133404500000000, -0.0046418500000000 ] - [ 0.0011900200000000, 0.0002017300000000, -0.0010436200000000 ] - [ -0.0011591800000000, 0.0011315100000000, 0.0001057200000000 ] - [ -0.0001646700000000, -0.0007223500000000, 0.0001852400000000 ] - [ 0.0000154400000000, 0.0008869800000000, 0.0000260400000000 ] - [ 0.0000926800000000, 0.0002710100000000, 0.0000421800000000 ] - [ 0.0001042100000000, -0.0005556700000000, -0.0002023200000000 ] - [ 0.0002514900000000, 0.0003038200000000, -0.0009860700000000 ] - [ -0.0003373100000000, -0.0001785200000000, -0.0018222000000000 ] - [ 0.0219563400000000, -0.0026388200000000, 0.0149515900000000 ] - [ -0.0017085400000000, 0.0021626900000000, 0.0008680300000000 ] - [ -0.0001908500000000, -0.0004594600000000, -0.0004070500000000 ] - [ 0.0007643600000000, 0.0007765100000000, 0.0001115200000000 ] - [ -0.0002198000000000, 0.0003731700000000, -0.0004321800000000 ] - [ 0.0000796500000000, -0.0004388000000000, 0.0004783600000000 ] - [ 0.0010685600000000, -0.0061164600000000, -0.0017686300000000 ] - [ -0.0117066400000000, -0.0042424300000000, -0.0074154600000000 ] - [ 0.0011299600000000, 0.0003879500000000, -0.0039638800000000 ] - [ -0.0002529000000000, 0.0001393900000000, -0.0003534500000000 ] - [ -0.0002000600000000, 0.0004773300000000, -0.0001341600000000 ] - [ 0.0012017100000000, 0.0025739800000000, 0.0013909400000000 ] - [ -0.0003467300000000, -0.0003333300000000, -0.0005058200000000 ] - [ 0.0001528500000000, 0.0003242700000000, 0.0002163300000000 ] - [ 0.0009596400000000, -0.0001683200000000, -0.0019407600000000 ] - [ -0.0011110200000000, 0.0001672400000000, -0.0001722000000000 ] - [ 0.0014102500000000, -0.0021298000000000, 0.0013047600000000 ] - [ -0.0001552000000000, -0.0000237900000000, 0.0000573500000000 ] - [ -0.3587603100000000, 0.0178265800000000, -0.0217002400000000 ] - [ 0.0070032200000000, -0.0098947900000000, -0.0010682900000000 ] - [ 0.0005210900000000, -0.0008059300000000, 0.0007802400000000 ] - [ 0.0040915800000000, 0.0004219900000000, 0.0001914600000000 ] - [ 0.0006968100000000, 0.0004122400000000, 0.0000067600000000 ] - [ 0.0009237500000000, 0.0004628600000000, -0.0002935400000000 ] - [ -0.0005322600000000, 0.0005698100000000, 0.0002417500000000 ] - [ -0.0010066100000000, -0.0003940300000000, 0.0005394500000000 ] - [ -0.0073616200000000, -0.0014773800000000, 0.0030610900000000 ] - [ 0.0005813400000000, -0.0015041100000000, -0.0001078400000000 ] - [ -0.0012305200000000, 0.0136820100000000, -0.0094381000000000 ] - [ 0.0705565900000000, -0.0046616100000000, 0.0047322300000000 ] - [ 0.0002015800000000, 0.0000055800000000, 0.0003385500000000 ] - [ 0.0003647300000000, 0.0006352200000000, 0.0001565000000000 ] - [ -0.0001313800000000, 0.0006283100000000, -0.0002464300000000 ] - [ -0.0013862900000000, -0.0010641500000000, -0.0016141000000000 ] - [ 0.0017207600000000, 0.0014001600000000, 0.0029615100000000 ] - [ 0.0015551800000000, 0.0026436200000000, 0.0064360900000000 ] - [ -0.0057346700000000, 0.0045456400000000, 0.0019156200000000 ] - [ -0.0001404800000000, -0.0015112300000000, -0.0003952800000000 ] - [ -0.0002461100000000, -0.0003367400000000, -0.0001670900000000 ] - [ -0.0080841700000000, -0.0047232600000000, 0.0019594200000000 ] - [ 0.0036467500000000, 0.0013750300000000, -0.0003836400000000 ] - [ 0.0006567900000000, -0.0000953000000000, 0.0000511700000000 ] - [ -0.0020950000000000, 0.0005488000000000, 0.0003451900000000 ] - [ 0.0263686600000000, -0.0040945900000000, 0.0240424500000000 ] - [ -0.0006075400000000, -0.0001780400000000, 0.0000172300000000 ] - [ 0.0017622100000000, 0.0015100200000000, -0.0004496900000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006964000000000, 0.0016848100000000, -0.0038158700000000 ] - [ -0.0033928900000000, -0.0014074900000000, -0.0027437700000000 ] - [ 0.0001512100000000, 0.0002530800000000, -0.0000091100000000 ] - [ -0.0000982300000000, -0.0003407600000000, 0.0000346800000000 ] - [ -0.0007050500000000, -0.0002674600000000, -0.0010938400000000 ] - [ 0.0001927300000000, 0.0000762100000000, -0.0001152500000000 ] - [ 0.0006152200000000, -0.0000462800000000, 0.0003672000000000 ] - [ -0.0052966300000000, 0.0051452100000000, 0.0026008900000000 ] - [ -0.0003440400000000, -0.0045418200000000, 0.0057755400000000 ] - [ 0.0003650000000000, -0.0008450200000000, 0.0010052700000000 ] - [ -0.0006043300000000, -0.0004881900000000, -0.0009964500000000 ] - [ 0.0052211600000000, -0.0007913300000000, 0.0008666000000000 ] - [ 0.0009166100000000, 0.0012451800000000, 0.0017416500000000 ] - [ -0.0007099300000000, 0.0009701800000000, -0.0004386000000000 ] - [ 0.0000421600000000, 0.0001865100000000, 0.0008174500000000 ] - [ -0.0006291400000000, -0.0001936600000000, -0.0032599900000000 ] - [ -0.0855759800000000, 0.0862916500000000, -0.0403784800000000 ] - [ -0.0011480800000000, -0.0023003700000000, 0.0006139000000000 ] - [ 0.0003095600000000, -0.0003548600000000, -0.0000922300000000 ] - [ 0.0026087700000000, 0.0009134400000000, 0.0010838000000000 ] - [ 0.0010658000000000, 0.0001925400000000, -0.0004387100000000 ] - [ 0.0004364900000000, 0.0006552500000000, -0.0000797900000000 ] - [ -0.0006401700000000, 0.0003736900000000, 0.0001300000000000 ] - [ -0.0003095100000000, -0.0003058100000000, 0.0002915100000000 ] - [ -0.0012236700000000, 0.0003388500000000, -0.0018600000000000 ] - [ 0.0006721600000000, -0.0004789900000000, -0.0002135700000000 ] - [ 0.0062312400000000, 0.0006407400000000, -0.0005841600000000 ] - [ -0.1666154400000000, -0.0258577000000000, 0.0686896800000000 ] - [ -0.0002951700000000, -0.0000137200000000, -0.0000778300000000 ] - [ -0.0000546900000000, 0.0003141300000000, 0.0003248000000000 ] - [ 0.0003103700000000, 0.0003078200000000, -0.0003268400000000 ] - [ -0.0004942800000000, 0.0001313500000000, 0.0000414100000000 ] - [ -0.0021097900000000, 0.0018778300000000, 0.0080501600000000 ] - [ -0.0000020300000000, -0.0002329500000000, 0.0004948200000000 ] - [ -0.0041331700000000, 0.0016931300000000, -0.0035443700000000 ] - [ 0.0202224200000000, 0.0024119800000000, -0.0040867600000000 ] - [ -0.0003828700000000, 0.0009891900000000, 0.0001865500000000 ] - [ -0.0004692900000000, -0.0005262500000000, -0.0000316600000000 ] - [ 0.0003634500000000, -0.0005790300000000, 0.0000957100000000 ] - [ 0.0006755100000000, 0.0006402800000000, -0.0004464100000000 ] - [ -0.0387230300000000, -0.0500659600000000, -0.0164266000000000 ] - [ 0.0112633800000000, -0.0143008100000000, 0.0048946400000000 ] - [ -0.0013806200000000, -0.0010869500000000, 0.0007762700000000 ] - [ 0.0009728600000000, -0.0002611800000000, 0.0001467700000000 ] - [ -0.0000206800000000, -0.0001602600000000, 0.0000807400000000 ] - [ -0.0002068800000000, -0.0000052900000000, -0.0002830100000000 ] - [ 0.0000999200000000, 0.0006150300000000, 0.0002177800000000 ] - [ 0.0000866500000000, -0.0003353100000000, -0.0000637700000000 ] - [ 0.0000265100000000, 0.0006205100000000, 0.0017182200000000 ] - [ 0.0006068800000000, -0.0007373900000000, 0.0010981000000000 ] - [ -0.0220259800000000, 0.0018032600000000, -0.0134864700000000 ] - [ 0.0014419900000000, -0.0012663900000000, -0.0016164300000000 ] - [ -0.0000843200000000, -0.0004534900000000, -0.0003294400000000 ] - [ -0.0010405200000000, 0.0001350400000000, 0.0006325500000000 ] - [ 0.0004946900000000, 0.0005491600000000, -0.0003045600000000 ] - [ 0.0002000900000000, -0.0004783500000000, 0.0002536900000000 ] - [ -0.0007644800000000, 0.0054778500000000, 0.0023086000000000 ] - [ 0.0119853500000000, 0.0049489400000000, 0.0069252700000000 ] - [ -0.0014375200000000, 0.0002915700000000, 0.0044446900000000 ] - [ -0.0000590100000000, -0.0008210800000000, -0.0001701800000000 ] - [ -0.0001137400000000, 0.0002104500000000, -0.0003727600000000 ] - [ -0.0015138300000000, -0.0032657400000000, -0.0008816400000000 ] - [ 0.0006636300000000, -0.0003462400000000, -0.0000178500000000 ] - [ 0.0001676900000000, 0.0003678200000000, 0.0002872300000000 ] - [ -0.0009982300000000, 0.0001381800000000, 0.0019471700000000 ] - [ 0.0011151300000000, -0.0001554800000000, 0.0001720900000000 ] - [ -0.0014288200000000, 0.0021606500000000, -0.0013113800000000 ] - [ 0.0001545400000000, 0.0000015300000000, -0.0000576400000000 ] - [ 0.3658922600000000, -0.0122193100000000, 0.0138189300000000 ] - [ -0.0082498300000000, 0.0091505900000000, 0.0013341700000000 ] - [ 0.0006871100000000, -0.0000537200000000, -0.0010415900000000 ] - [ -0.0028756900000000, 0.0004350400000000, 0.0000714900000000 ] - [ 0.0005220700000000, -0.0012729800000000, 0.0002549300000000 ] - [ 0.0002914200000000, 0.0003913500000000, 0.0000327800000000 ] - [ -0.0006784000000000, 0.0002856100000000, 0.0000184400000000 ] - [ -0.0002042600000000, -0.0004572700000000, -0.0008055400000000 ] - [ 0.0068846300000000, 0.0024925400000000, -0.0030464100000000 ] - [ -0.0010813500000000, 0.0004864400000000, 0.0001015500000000 ] - [ 0.0016965900000000, -0.0147574900000000, 0.0094706100000000 ] - [ -0.0704353200000000, 0.0055768400000000, -0.0045327000000000 ] - [ 0.0002999500000000, -0.0010277300000000, -0.0003476900000000 ] - [ 0.0001329300000000, 0.0003886300000000, -0.0001507000000000 ] - [ -0.0003642600000000, 0.0003982800000000, 0.0002405500000000 ] - [ 0.0008937900000000, 0.0000482100000000, 0.0016276200000000 ] - [ -0.0005686100000000, -0.0012300500000000, -0.0026405900000000 ] - [ -0.0003670500000000, -0.0028666900000000, -0.0068688500000000 ] - [ 0.0045753500000000, -0.0046670600000000, -0.0014942400000000 ] - [ -0.0010163700000000, 0.0017081100000000, 0.0000696300000000 ] - [ -0.0009165900000000, 0.0001643000000000, -0.0001675800000000 ] - [ 0.0069519000000000, 0.0049236300000000, -0.0016279000000000 ] - [ -0.0024843400000000, -0.0012003800000000, 0.0000405200000000 ] - [ 0.0005052100000000, -0.0000791300000000, 0.0002839600000000 ] - [ 0.0021159500000000, 0.0003224100000000, -0.0003499500000000 ] - [ -0.0263869800000000, 0.0030544000000000, -0.0238898200000000 ] - [ 0.0006133100000000, -0.0006998800000000, -0.0000168300000000 ] - [ -0.0017769700000000, -0.0006361000000000, 0.0004551800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008324600000000, -0.0052166200000000, -0.0031715700000000 ] - [ 0.0061163000000000, -0.0032672000000000, 0.0074492600000000 ] - [ 0.0000625000000000, 0.0023641300000000, -0.0001132300000000 ] - [ -0.0000632900000000, 0.0015895600000000, 0.0000917400000000 ] - [ -0.0005773900000000, -0.0004920500000000, -0.0009369600000000 ] - [ -0.0003589500000000, 0.0010545700000000, 0.0000960100000000 ] - [ -0.0007233300000000, 0.0023566900000000, -0.0001998600000000 ] - [ -0.0052693400000000, 0.0057920700000000, 0.0018754500000000 ] - [ 0.0002919600000000, -0.0035338500000000, 0.0057476000000000 ] - [ 0.0013150600000000, -0.0025427700000000, 0.0013675800000000 ] - [ -0.0015647300000000, -0.0048863700000000, 0.0001747600000000 ] - [ 0.0050116800000000, -0.0031128700000000, 0.0029686800000000 ] - [ 0.0006990400000000, 0.0000870000000000, 0.0001071000000000 ] - [ 0.0010248800000000, -0.0028624000000000, -0.0020062300000000 ] - [ -0.0002522500000000, -0.0024478400000000, 0.0004061000000000 ] - [ 0.0018821200000000, -0.0037688100000000, -0.0056765300000000 ] - [ -0.0842167400000000, 0.1220148900000000, -0.0420498000000000 ] - [ -0.0006319400000000, -0.0017116700000000, 0.0008192800000000 ] - [ 0.0005381300000000, -0.0009374100000000, 0.0017307000000000 ] - [ 0.0016062800000000, 0.0033316800000000, 0.0014035000000000 ] - [ 0.0013901900000000, -0.0021956100000000, -0.0005643900000000 ] - [ -0.0000284400000000, -0.0029436900000000, 0.0003478600000000 ] - [ 0.0001924200000000, -0.0018965700000000, -0.0005143500000000 ] - [ -0.0008610800000000, -0.0020838800000000, -0.0005671000000000 ] - [ -0.0000075300000000, 0.0027048700000000, 0.0006093400000000 ] - [ -0.0004726000000000, 0.0007815500000000, 0.0001256400000000 ] - [ -0.0106106400000000, -0.0063483100000000, 0.0038726000000000 ] - [ 0.0258613300000000, 0.0218958000000000, -0.0124480400000000 ] - [ -0.0002993100000000, -0.0014667400000000, -0.0000870100000000 ] - [ -0.0001484900000000, -0.0012458600000000, 0.0002183600000000 ] - [ 0.0000255200000000, -0.0014505600000000, -0.0002389800000000 ] - [ -0.0004736000000000, -0.0020765100000000, -0.0001104300000000 ] - [ -0.0024812000000000, 0.0099250800000000, 0.0049467200000000 ] - [ 0.0024316100000000, 0.0022799000000000, 0.0029491900000000 ] - [ 0.0070645900000000, -0.0081075400000000, 0.0117333600000000 ] - [ 0.0033183400000000, 0.0115868100000000, -0.0011083900000000 ] - [ -0.0000418600000000, -0.0011102500000000, -0.0003272800000000 ] - [ -0.0008535500000000, -0.0032083000000000, -0.0005754700000000 ] - [ 0.0009566400000000, -0.0031885200000000, 0.0005711700000000 ] - [ 0.0003493100000000, -0.0019631800000000, -0.0002743900000000 ] - [ 0.0538341500000000, 0.1538426300000000, 0.0298894300000000 ] - [ -0.0005239300000000, 0.0098202400000000, -0.0028374200000000 ] - [ 0.0002128400000000, 0.0062924100000000, 0.0011314900000000 ] - [ -0.0007111600000000, 0.0061180300000000, 0.0008035000000000 ] - [ -0.0006192500000000, -0.0048322800000000, 0.0005454700000000 ] - [ 0.0003129700000000, -0.0049459200000000, 0.0002968500000000 ] - [ -0.0003309400000000, -0.0035396900000000, -0.0002109400000000 ] - [ 0.0005210000000000, -0.0045600600000000, -0.0004884500000000 ] - [ -0.0000316200000000, 0.0007807300000000, -0.0043163300000000 ] - [ 0.0000404200000000, 0.0027627100000000, -0.0018169800000000 ] - [ -0.0022186000000000, 0.0265498700000000, 0.0069448200000000 ] - [ -0.0023583900000000, -0.0006687700000000, -0.0026911600000000 ] - [ 0.0000282700000000, -0.0028410500000000, 0.0005826700000000 ] - [ -0.0005305100000000, -0.0026820900000000, 0.0023500900000000 ] - [ 0.0002616000000000, -0.0025627500000000, -0.0015344700000000 ] - [ -0.0002895500000000, -0.0033324000000000, -0.0006962300000000 ] - [ 0.0009543800000000, -0.0109876000000000, -0.0055204700000000 ] - [ 0.0012042900000000, 0.0033286700000000, -0.0012448200000000 ] - [ -0.0006008700000000, 0.0031426000000000, -0.0008756000000000 ] - [ -0.0002211700000000, 0.0000921700000000, -0.0012469300000000 ] - [ 0.0001532900000000, -0.0021459200000000, -0.0013114900000000 ] - [ -0.0005364800000000, -0.0056486800000000, -0.0011612300000000 ] - [ 0.0001671800000000, -0.0025971100000000, 0.0020370500000000 ] - [ -0.0001563300000000, -0.0021050200000000, 0.0016183200000000 ] - [ -0.0000528600000000, 0.0017814800000000, -0.0018985500000000 ] - [ -0.0015364700000000, -0.0013675600000000, -0.0011427900000000 ] - [ -0.0019415600000000, -0.0019799200000000, 0.0017317700000000 ] - [ -0.0003239900000000, -0.0017759300000000, 0.0004389600000000 ] - [ 0.0095211400000000, -0.3631584900000000, 0.0223552600000000 ] - [ 0.0089088600000000, -0.0033130600000000, 0.0009784700000000 ] - [ 0.0002350500000000, -0.0058626200000000, 0.0013099600000000 ] - [ 0.0006153100000000, -0.0063391400000000, 0.0002868400000000 ] - [ 0.0014437600000000, 0.0044686800000000, 0.0014302100000000 ] - [ 0.0005736900000000, 0.0064085300000000, 0.0005956700000000 ] - [ -0.0004618800000000, 0.0050962400000000, -0.0004745900000000 ] - [ -0.0006389800000000, 0.0040281900000000, -0.0019000000000000 ] - [ 0.0014761000000000, -0.0070336900000000, -0.0018655500000000 ] - [ -0.0004047700000000, -0.0046170100000000, -0.0022766600000000 ] - [ 0.0034183500000000, 0.0497658600000000, -0.0185928800000000 ] - [ -0.0000758100000000, -0.0136775600000000, 0.0063555600000000 ] - [ -0.0002500200000000, 0.0040086300000000, -0.0000022300000000 ] - [ 0.0009484200000000, 0.0057912100000000, 0.0006265400000000 ] - [ -0.0008250300000000, 0.0059934500000000, -0.0006691500000000 ] - [ 0.0009220700000000, 0.0070150500000000, 0.0012994300000000 ] - [ 0.0022530800000000, 0.0065036100000000, 0.0084842800000000 ] - [ 0.0015879200000000, -0.0031659000000000, 0.0025960400000000 ] - [ 0.0011193400000000, -0.0000703900000000, 0.0198470500000000 ] - [ 0.0010246000000000, 0.0034166000000000, 0.0023112500000000 ] - [ -0.0007319000000000, 0.0044564700000000, -0.0002404500000000 ] - [ 0.0014163400000000, 0.0109817100000000, -0.0050500200000000 ] - [ 0.0015094300000000, 0.0041965200000000, -0.0026539900000000 ] - [ 0.0017574800000000, 0.0050535600000000, -0.0012851800000000 ] - [ -0.0054897200000000, 0.0080973500000000, -0.0060401000000000 ] - [ -0.0206070600000000, -0.0086385000000000, -0.0280721200000000 ] - [ -0.0006289000000000, 0.0059375500000000, 0.0003090800000000 ] - [ -0.0026928000000000, 0.0050191600000000, 0.0023187200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008231900000000, 0.0045971700000000, 0.0031662400000000 ] - [ -0.0060957400000000, 0.0038471700000000, -0.0074312700000000 ] - [ -0.0000645600000000, -0.0017822400000000, 0.0001160300000000 ] - [ 0.0000647400000000, -0.0021729600000000, -0.0000938100000000 ] - [ 0.0005775700000000, 0.0005005400000000, 0.0009388500000000 ] - [ 0.0003573500000000, -0.0010547800000000, -0.0000977200000000 ] - [ 0.0007229700000000, -0.0023571500000000, 0.0002031400000000 ] - [ 0.0053395500000000, -0.0058141700000000, -0.0018716200000000 ] - [ 0.0004407900000000, 0.0045064400000000, -0.0074456900000000 ] - [ -0.0005558800000000, 0.0015387800000000, 0.0003461600000000 ] - [ 0.0008055700000000, 0.0038677900000000, -0.0018858000000000 ] - [ -0.0057246200000000, 0.0040638400000000, -0.0012470400000000 ] - [ -0.0014785200000000, -0.0011159100000000, 0.0016045200000000 ] - [ -0.0017867300000000, 0.0038746200000000, 0.0002959000000000 ] - [ 0.0010129800000000, 0.0034608700000000, 0.0013054800000000 ] - [ -0.0011353500000000, 0.0027591400000000, 0.0040206100000000 ] - [ 0.0877428300000000, -0.1249903200000000, 0.0447067500000000 ] - [ -0.0004173900000000, 0.0010179600000000, -0.0007219800000000 ] - [ 0.0005242200000000, 0.0002406900000000, -0.0018179800000000 ] - [ -0.0005416500000000, -0.0026380800000000, -0.0013065500000000 ] - [ -0.0003274900000000, 0.0014905700000000, 0.0006711500000000 ] - [ 0.0010983300000000, 0.0036490800000000, -0.0004528200000000 ] - [ -0.0012579400000000, 0.0025963400000000, 0.0006171200000000 ] - [ -0.0002089100000000, 0.0013811600000000, 0.0004703500000000 ] - [ 0.0002530000000000, -0.0021552600000000, -0.0000460000000000 ] - [ 0.0007320900000000, -0.0013298900000000, -0.0006942300000000 ] - [ 0.0103638200000000, 0.0058138700000000, -0.0033533800000000 ] - [ -0.0252502200000000, -0.0209406800000000, 0.0116233800000000 ] - [ 0.0000581100000000, 0.0009128200000000, -0.0004749600000000 ] - [ -0.0001141100000000, 0.0017986900000000, 0.0003430500000000 ] - [ 0.0002208700000000, 0.0020052700000000, -0.0003248600000000 ] - [ 0.0007382500000000, 0.0015291400000000, 0.0006732000000000 ] - [ 0.0034087200000000, -0.0111415800000000, -0.0051985800000000 ] - [ -0.0015049800000000, -0.0010378200000000, -0.0027047800000000 ] - [ -0.0079639200000000, 0.0092617700000000, -0.0119368900000000 ] - [ -0.0043101400000000, -0.0127919600000000, 0.0013789100000000 ] - [ -0.0008860300000000, 0.0023402300000000, 0.0005759100000000 ] - [ -0.0000690000000000, 0.0019758900000000, 0.0003305400000000 ] - [ -0.0000331500000000, 0.0019571400000000, -0.0003242500000000 ] - [ 0.0005715200000000, 0.0031954900000000, 0.0000296200000000 ] - [ -0.0496762700000000, -0.1443555200000000, -0.0281450000000000 ] - [ 0.0007221900000000, -0.0106510700000000, 0.0030783000000000 ] - [ -0.0004049800000000, -0.0071522800000000, -0.0013846200000000 ] - [ 0.0005195400000000, -0.0052031300000000, -0.0005311100000000 ] - [ 0.0004276200000000, 0.0039402800000000, -0.0002850300000000 ] - [ -0.0005021300000000, 0.0058395100000000, -0.0005551000000000 ] - [ 0.0005233300000000, 0.0044324900000000, 0.0004678300000000 ] - [ -0.0003311200000000, 0.0036708900000000, 0.0002278300000000 ] - [ 0.0003035800000000, 0.0001338900000000, 0.0050447300000000 ] - [ 0.0002300300000000, -0.0036789700000000, 0.0010717000000000 ] - [ 0.0020171400000000, -0.0272837400000000, -0.0054459600000000 ] - [ 0.0020877000000000, 0.0015934300000000, 0.0019632200000000 ] - [ -0.0003050900000000, 0.0019252700000000, -0.0013119400000000 ] - [ 0.0002525000000000, 0.0035911300000000, -0.0016183800000000 ] - [ 0.0000222800000000, 0.0034701300000000, 0.0008018400000000 ] - [ 0.0005641900000000, 0.0024187500000000, 0.0014337500000000 ] - [ -0.0006797600000000, 0.0103357700000000, 0.0060306700000000 ] - [ -0.0009177200000000, -0.0026753900000000, 0.0006992100000000 ] - [ 0.0003013700000000, -0.0024795600000000, 0.0013513900000000 ] - [ -0.0000988600000000, -0.0007836300000000, 0.0007426000000000 ] - [ -0.0004694600000000, 0.0028316200000000, 0.0007969600000000 ] - [ 0.0002206300000000, 0.0049906200000000, 0.0016612700000000 ] - [ 0.0001511600000000, 0.0019082000000000, -0.0025481800000000 ] - [ 0.0004727100000000, 0.0027925500000000, -0.0011053700000000 ] - [ 0.0000450200000000, -0.0018474300000000, 0.0019001400000000 ] - [ 0.0015402500000000, 0.0013922800000000, 0.0011442000000000 ] - [ 0.0019649400000000, 0.0020128000000000, -0.0017481800000000 ] - [ 0.0003219200000000, 0.0017553100000000, -0.0004401700000000 ] - [ -0.0205175200000000, 0.3581250200000000, -0.0278876300000000 ] - [ -0.0101382000000000, 0.0024332200000000, -0.0007149000000000 ] - [ 0.0009875900000000, 0.0049829800000000, -0.0015750200000000 ] - [ 0.0006009700000000, 0.0071881800000000, -0.0000198700000000 ] - [ -0.0002406600000000, -0.0053233900000000, -0.0011661600000000 ] - [ 0.0006416900000000, -0.0055605800000000, -0.0008533100000000 ] - [ -0.0007472700000000, -0.0042443000000000, 0.0007339400000000 ] - [ -0.0005777200000000, -0.0048815400000000, 0.0016432400000000 ] - [ -0.0019705100000000, 0.0080353000000000, 0.0018755100000000 ] - [ -0.0000977500000000, 0.0035793600000000, 0.0022597300000000 ] - [ -0.0026795400000000, -0.0503630600000000, 0.0186684900000000 ] - [ 0.0006149300000000, 0.0146655700000000, -0.0064057800000000 ] - [ 0.0007474200000000, -0.0050241700000000, -0.0000054000000000 ] - [ -0.0004476900000000, -0.0047704700000000, -0.0006207000000000 ] - [ 0.0003272600000000, -0.0049695300000000, 0.0006618400000000 ] - [ -0.0014294800000000, -0.0080632600000000, -0.0013108900000000 ] - [ -0.0010871600000000, -0.0063292100000000, -0.0081546100000000 ] - [ -0.0004205400000000, 0.0030266800000000, -0.0029108800000000 ] - [ -0.0023062000000000, 0.0000350800000000, -0.0196115400000000 ] - [ -0.0021882100000000, -0.0032446300000000, -0.0026477600000000 ] - [ -0.0004297000000000, -0.0046326300000000, -0.0000971300000000 ] - [ -0.0025575800000000, -0.0108247200000000, 0.0054660700000000 ] - [ -0.0003847600000000, -0.0040059600000000, 0.0023023900000000 ] - [ -0.0005915100000000, -0.0052289800000000, 0.0016150300000000 ] - [ 0.0054395600000000, -0.0071830600000000, 0.0060109700000000 ] - [ 0.0206688500000000, 0.0077639800000000, 0.0281025100000000 ] - [ 0.0006271700000000, -0.0068196200000000, -0.0003067100000000 ] - [ 0.0027236700000000, -0.0041501400000000, -0.0023347200000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0066706700000000, -0.0082901900000000, 0.0052154300000000 ] - [ 0.0021685600000000, 0.0038156500000000, 0.0013578700000000 ] - [ 0.0000166200000000, 0.0001796500000000, 0.0000238200000000 ] - [ -0.0001355800000000, 0.0001983800000000, 0.0000709400000000 ] - [ -0.0006395200000000, 0.0002370300000000, 0.0024831300000000 ] - [ 0.0000451600000000, 0.0000806300000000, 0.0002388400000000 ] - [ -0.0000550000000000, 0.0003209800000000, -0.0002963500000000 ] - [ 0.0002386300000000, -0.0021001200000000, -0.0052432800000000 ] - [ 0.0002282900000000, 0.0035323300000000, -0.0032176500000000 ] - [ 0.0003514800000000, -0.0005575700000000, 0.0009237100000000 ] - [ -0.0003383200000000, 0.0000072000000000, -0.0007113700000000 ] - [ -0.0021033000000000, 0.0036893700000000, -0.0000192200000000 ] - [ -0.0007578100000000, -0.0009694500000000, -0.0000390500000000 ] - [ -0.0000731300000000, -0.0001715300000000, -0.0011055800000000 ] - [ 0.0001650700000000, -0.0001661800000000, 0.0007955000000000 ] - [ 0.0089735900000000, -0.0143373100000000, -0.0020780500000000 ] - [ 0.0454951400000000, -0.0480575000000000, 0.0471588200000000 ] - [ -0.0018356700000000, -0.0008086100000000, 0.0010188900000000 ] - [ 0.0007150700000000, -0.0000523200000000, -0.0007206600000000 ] - [ -0.0014801000000000, 0.0010565300000000, -0.0039483800000000 ] - [ 0.0021071300000000, -0.0016594100000000, 0.0024110700000000 ] - [ 0.0003826700000000, -0.0001326700000000, 0.0001675400000000 ] - [ -0.0003733700000000, -0.0000009500000000, -0.0001760500000000 ] - [ -0.0012415900000000, -0.0023382600000000, -0.0028163500000000 ] - [ 0.0013713900000000, 0.0010940300000000, -0.0043455000000000 ] - [ 0.0005139800000000, 0.0000301300000000, -0.0009761100000000 ] - [ -0.0024127000000000, -0.0021440000000000, 0.0029151100000000 ] - [ -0.0655978300000000, -0.0108326500000000, 0.0456844300000000 ] - [ -0.0004754500000000, -0.0009776500000000, -0.0011858500000000 ] - [ -0.0000546100000000, 0.0000534700000000, 0.0001540400000000 ] - [ 0.0000828700000000, 0.0000469200000000, -0.0001534200000000 ] - [ 0.0002484500000000, -0.0009357900000000, 0.0013177700000000 ] - [ -0.0013257900000000, 0.0000740700000000, -0.0142750000000000 ] - [ -0.0002330900000000, 0.0013829700000000, -0.0004026900000000 ] - [ 0.0002313800000000, 0.0046321600000000, 0.0020672200000000 ] - [ -0.0016468700000000, -0.0017795700000000, -0.0002997600000000 ] - [ -0.0000561700000000, -0.0001848000000000, -0.0005339000000000 ] - [ -0.0005744900000000, -0.0009107300000000, -0.0003152500000000 ] - [ 0.0005597700000000, -0.0008890200000000, 0.0002530600000000 ] - [ 0.0000449800000000, -0.0019326900000000, 0.0009893600000000 ] - [ 0.0156686400000000, 0.0284076500000000, 0.0267407200000000 ] - [ 0.0004926400000000, -0.0037933200000000, 0.0056725800000000 ] - [ 0.0009259600000000, 0.0010721300000000, -0.0051852700000000 ] - [ -0.0005927300000000, -0.0000148500000000, -0.0019458700000000 ] - [ -0.0000694600000000, -0.0011781700000000, 0.0005961500000000 ] - [ -0.0000766200000000, 0.0002265600000000, 0.0004521700000000 ] - [ 0.0000132400000000, 0.0000692800000000, -0.0002928000000000 ] - [ 0.0000811700000000, -0.0013457000000000, -0.0006417800000000 ] - [ 0.0002527800000000, -0.0002183300000000, -0.0012176500000000 ] - [ -0.0026443600000000, 0.0010819400000000, -0.0058212900000000 ] - [ 0.0118159300000000, 0.0005572400000000, 0.1460423200000000 ] - [ -0.0003072800000000, -0.0006157700000000, -0.0002416100000000 ] - [ -0.0000896600000000, -0.0007499400000000, -0.0003737600000000 ] - [ -0.0003051800000000, 0.0017797700000000, -0.0014252900000000 ] - [ 0.0001969600000000, 0.0018196900000000, 0.0012762800000000 ] - [ 0.0001234600000000, -0.0007564500000000, 0.0004527600000000 ] - [ 0.0003932700000000, -0.0023774200000000, -0.0000826900000000 ] - [ 0.0025931100000000, 0.0047541500000000, 0.0107073900000000 ] - [ 0.0019957000000000, 0.0025626200000000, -0.0172412900000000 ] - [ -0.0001358600000000, -0.0004389800000000, -0.0009585600000000 ] - [ -0.0001274300000000, 0.0000663300000000, -0.0002291500000000 ] - [ 0.0000585800000000, 0.0023327700000000, 0.0030523400000000 ] - [ 0.0002626100000000, 0.0009768300000000, -0.0025537500000000 ] - [ 0.0001535100000000, 0.0001221100000000, 0.0002117500000000 ] - [ -0.0114898700000000, -0.0075171300000000, -0.0046346100000000 ] - [ -0.0001470100000000, -0.0003807000000000, -0.0001930900000000 ] - [ 0.0007985000000000, 0.0022369500000000, -0.0008737600000000 ] - [ 0.0000872300000000, -0.0002019600000000, 0.0000751100000000 ] - [ -0.0175343300000000, 0.0267887300000000, -0.2921100300000000 ] - [ 0.0005844600000000, 0.0004052000000000, -0.0007527600000000 ] - [ -0.0003033000000000, -0.0018494900000000, 0.0029378300000000 ] - [ 0.0006518800000000, 0.0002822000000000, 0.0089696500000000 ] - [ 0.0004833200000000, 0.0008678800000000, -0.0023813700000000 ] - [ 0.0007677000000000, 0.0011489700000000, -0.0005010200000000 ] - [ -0.0007172300000000, 0.0010300000000000, 0.0003217500000000 ] - [ 0.0000657900000000, 0.0013379200000000, 0.0025779200000000 ] - [ -0.0029342600000000, -0.0054835800000000, 0.0225407900000000 ] - [ -0.0002327400000000, -0.0002232700000000, 0.0020211900000000 ] - [ -0.0043531600000000, -0.0024103500000000, -0.0096289700000000 ] - [ -0.0067193300000000, 0.0023154500000000, -0.0167271800000000 ] - [ 0.0007217700000000, -0.0002594200000000, 0.0024808200000000 ] - [ 0.0003578600000000, 0.0012277800000000, 0.0005722200000000 ] - [ -0.0003743800000000, 0.0011981000000000, -0.0004709300000000 ] - [ -0.0000427500000000, 0.0000356100000000, -0.0042022400000000 ] - [ 0.0008850000000000, 0.0015490000000000, 0.0012448100000000 ] - [ 0.0129229300000000, -0.0030231700000000, -0.0027385400000000 ] - [ -0.0057825400000000, 0.0424499000000000, 0.0397659300000000 ] - [ -0.0002919500000000, 0.0013486100000000, 0.0006048000000000 ] - [ -0.0005574300000000, 0.0003485200000000, -0.0003080700000000 ] - [ -0.0007174100000000, -0.0074339800000000, 0.0018642200000000 ] - [ -0.0000024800000000, -0.0038768300000000, 0.0012278000000000 ] - [ 0.0003171000000000, 0.0002025700000000, 0.0002199900000000 ] - [ 0.0016523200000000, -0.0010716900000000, 0.0002919400000000 ] - [ 0.0168739600000000, -0.0143539900000000, 0.0154291700000000 ] - [ -0.0000403300000000, 0.0006448900000000, 0.0001060800000000 ] - [ -0.0048087600000000, 0.0081245500000000, 0.0028897600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0067097400000000, 0.0077399800000000, -0.0052475900000000 ] - [ -0.0021347900000000, -0.0031997400000000, -0.0013946100000000 ] - [ -0.0000179500000000, 0.0004006900000000, -0.0000233900000000 ] - [ 0.0001365200000000, -0.0007834600000000, -0.0000714300000000 ] - [ 0.0006415000000000, -0.0002427700000000, -0.0024799600000000 ] - [ -0.0000449200000000, -0.0000794000000000, -0.0002401200000000 ] - [ 0.0000577300000000, -0.0003260200000000, 0.0003000100000000 ] - [ -0.0002392000000000, 0.0021121500000000, 0.0052632100000000 ] - [ 0.0005250600000000, -0.0024972600000000, 0.0015301500000000 ] - [ 0.0004083600000000, -0.0004470500000000, 0.0007854700000000 ] - [ -0.0004164200000000, -0.0010059200000000, -0.0010079400000000 ] - [ 0.0013655800000000, -0.0027117000000000, 0.0017507500000000 ] - [ -0.0000093200000000, -0.0000379100000000, 0.0017425000000000 ] - [ -0.0006881800000000, 0.0011783500000000, -0.0005980500000000 ] - [ 0.0005978400000000, 0.0011802200000000, 0.0009196800000000 ] - [ -0.0082400100000000, 0.0133836600000000, 0.0003926100000000 ] - [ -0.0459856700000000, 0.0479754900000000, -0.0477311400000000 ] - [ 0.0007809100000000, 0.0001245000000000, -0.0009248800000000 ] - [ 0.0003523600000000, -0.0006478700000000, 0.0006114700000000 ] - [ 0.0025252500000000, -0.0003407500000000, 0.0040606100000000 ] - [ -0.0010520000000000, 0.0009687800000000, -0.0023161900000000 ] - [ 0.0006832200000000, 0.0008354200000000, -0.0002709800000000 ] - [ -0.0006921500000000, 0.0006991900000000, 0.0002828500000000 ] - [ 0.0001725600000000, 0.0016462800000000, 0.0027142000000000 ] - [ -0.0010681200000000, -0.0005420400000000, 0.0048719500000000 ] - [ -0.0002581800000000, -0.0005857700000000, 0.0004162400000000 ] - [ 0.0021898400000000, 0.0016214200000000, -0.0023873200000000 ] - [ 0.0643862000000000, 0.0111965900000000, -0.0466855400000000 ] - [ 0.0002320200000000, 0.0004338700000000, 0.0006266300000000 ] - [ -0.0002065100000000, 0.0004968100000000, 0.0004083500000000 ] - [ 0.0001754300000000, 0.0005029000000000, -0.0004061800000000 ] - [ 0.0000116800000000, 0.0003889700000000, -0.0007618400000000 ] - [ 0.0021379800000000, -0.0012667000000000, 0.0138612400000000 ] - [ 0.0011559400000000, -0.0001617700000000, 0.0006353900000000 ] - [ -0.0011727400000000, -0.0034190400000000, -0.0023619300000000 ] - [ 0.0006730600000000, 0.0005647000000000, 0.0006244700000000 ] - [ -0.0008740100000000, 0.0014221800000000, 0.0007839600000000 ] - [ -0.0003477900000000, -0.0003194100000000, 0.0000752000000000 ] - [ 0.0003652800000000, -0.0003387900000000, -0.0000041800000000 ] - [ 0.0008812900000000, 0.0031730000000000, -0.0012408600000000 ] - [ -0.0156148900000000, -0.0279232600000000, -0.0274670600000000 ] - [ -0.0003044200000000, 0.0029173200000000, -0.0054456300000000 ] - [ -0.0011151000000000, -0.0020011300000000, 0.0049148300000000 ] - [ 0.0003937100000000, 0.0008854500000000, 0.0021971800000000 ] - [ -0.0001274800000000, 0.0002879800000000, -0.0003419900000000 ] - [ -0.0001189700000000, 0.0006704900000000, -0.0007099800000000 ] - [ 0.0001824900000000, 0.0008284400000000, 0.0005506600000000 ] - [ 0.0001091600000000, 0.0004656600000000, 0.0003839600000000 ] - [ 0.0000269900000000, 0.0011080000000000, 0.0019603800000000 ] - [ 0.0029264600000000, -0.0019869400000000, 0.0050686000000000 ] - [ -0.0133211300000000, -0.0024371000000000, -0.1556403200000000 ] - [ 0.0000340100000000, 0.0015373400000000, -0.0004732500000000 ] - [ -0.0001881500000000, -0.0001658300000000, -0.0003482200000000 ] - [ 0.0000315100000000, -0.0008592900000000, 0.0021616800000000 ] - [ 0.0000868300000000, -0.0009103100000000, -0.0020015700000000 ] - [ 0.0001542900000000, -0.0001662800000000, 0.0002666300000000 ] - [ -0.0000935000000000, 0.0017557300000000, 0.0006257700000000 ] - [ -0.0023003000000000, -0.0040959000000000, -0.0112718000000000 ] - [ -0.0022619700000000, -0.0018752400000000, 0.0176343600000000 ] - [ -0.0001780500000000, -0.0002564300000000, 0.0004634300000000 ] - [ -0.0001857000000000, 0.0006152500000000, -0.0002869700000000 ] - [ -0.0003721500000000, -0.0030266600000000, -0.0025420000000000 ] - [ 0.0000488900000000, -0.0016585900000000, 0.0020501600000000 ] - [ 0.0001663300000000, 0.0005620700000000, 0.0003083700000000 ] - [ 0.0114982500000000, 0.0074780700000000, 0.0046474900000000 ] - [ 0.0001449800000000, 0.0004033800000000, 0.0002023300000000 ] - [ -0.0007807400000000, -0.0022055100000000, 0.0008858800000000 ] - [ -0.0000927200000000, 0.0001867500000000, -0.0000779300000000 ] - [ 0.0180823800000000, -0.0234441400000000, 0.3039944400000000 ] - [ -0.0018191200000000, -0.0012869400000000, 0.0010141800000000 ] - [ 0.0015199800000000, 0.0010390000000000, -0.0031988200000000 ] - [ 0.0005343700000000, 0.0005903600000000, -0.0086914900000000 ] - [ 0.0007318600000000, -0.0017286000000000, 0.0026510700000000 ] - [ 0.0004428900000000, -0.0003002500000000, 0.0002427900000000 ] - [ -0.0004943800000000, -0.0001781700000000, -0.0000612500000000 ] - [ -0.0012836500000000, -0.0022082200000000, -0.0028405000000000 ] - [ 0.0023519600000000, 0.0064809100000000, -0.0223464600000000 ] - [ -0.0002566900000000, -0.0007751600000000, -0.0020198400000000 ] - [ 0.0048569200000000, 0.0012860800000000, 0.0097732700000000 ] - [ 0.0072764100000000, -0.0012894400000000, 0.0167832200000000 ] - [ -0.0002229000000000, -0.0007666600000000, -0.0024885700000000 ] - [ 0.0001380800000000, -0.0002097500000000, -0.0005666900000000 ] - [ -0.0001229000000000, -0.0001780400000000, 0.0004667000000000 ] - [ -0.0004646700000000, -0.0010590300000000, 0.0042243200000000 ] - [ 0.0002659200000000, -0.0013681000000000, -0.0009573300000000 ] - [ -0.0117833500000000, 0.0028490600000000, 0.0024341600000000 ] - [ 0.0045455700000000, -0.0427126200000000, -0.0397733100000000 ] - [ -0.0008705700000000, -0.0011779400000000, -0.0009608500000000 ] - [ -0.0006003300000000, -0.0005314900000000, -0.0000229600000000 ] - [ -0.0004484100000000, 0.0076051400000000, -0.0015572600000000 ] - [ 0.0011489100000000, 0.0040589500000000, -0.0015923700000000 ] - [ 0.0008438500000000, -0.0003848500000000, 0.0001233100000000 ] - [ -0.0016588100000000, 0.0019486700000000, -0.0002746900000000 ] - [ -0.0166443600000000, 0.0133335400000000, -0.0155613700000000 ] - [ 0.0000412100000000, -0.0015303600000000, -0.0001112900000000 ] - [ 0.0048432800000000, -0.0072871700000000, -0.0029002100000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012122400000000, -0.0022316800000000, -0.0034708700000000 ] - [ 0.0049563200000000, 0.0052729600000000, -0.0027446500000000 ] - [ -0.0001564500000000, 0.0001046900000000, -0.0000416000000000 ] - [ 0.0001223100000000, -0.0005749000000000, -0.0000362800000000 ] - [ 0.0032065900000000, -0.0032781700000000, 0.0006083800000000 ] - [ -0.0001128100000000, -0.0004489900000000, 0.0000779200000000 ] - [ -0.0001107600000000, -0.0001036900000000, -0.0000434600000000 ] - [ 0.0011770400000000, -0.0003800800000000, -0.0000402200000000 ] - [ 0.0033378900000000, 0.0086949600000000, 0.0008923300000000 ] - [ 0.0001611500000000, 0.0002697600000000, 0.0010901800000000 ] - [ -0.0002421200000000, -0.0002461500000000, -0.0006626100000000 ] - [ -0.0021776300000000, 0.0008566500000000, 0.0007417400000000 ] - [ -0.0024435900000000, -0.0028381100000000, 0.0013740500000000 ] - [ -0.0001735800000000, 0.0005314900000000, -0.0009459900000000 ] - [ 0.0005525800000000, 0.0009111000000000, 0.0006700800000000 ] - [ -0.0011541000000000, 0.0019271200000000, -0.0027606600000000 ] - [ 0.0004629800000000, 0.0028041800000000, 0.0068058400000000 ] - [ -0.0005787200000000, -0.0002154100000000, 0.0004062100000000 ] - [ 0.0003058600000000, 0.0002349600000000, -0.0001514000000000 ] - [ -0.0210429300000000, -0.0020733500000000, -0.0052611700000000 ] - [ 0.0000386000000000, -0.0000795600000000, 0.0000086700000000 ] - [ 0.0006449500000000, 0.0006086800000000, -0.0001028500000000 ] - [ -0.0005398100000000, 0.0007202100000000, 0.0000226500000000 ] - [ -0.0008574700000000, 0.0012116700000000, -0.0001012100000000 ] - [ 0.1594792400000000, 0.0309278400000000, 0.0616245900000000 ] - [ 0.0012214700000000, 0.0010184600000000, 0.0000276100000000 ] - [ -0.0008384400000000, -0.0006981500000000, 0.0005147000000000 ] - [ 0.0018644800000000, -0.0000541200000000, -0.0029364300000000 ] - [ 0.0003371700000000, -0.0003911200000000, -0.0002534500000000 ] - [ -0.0002335300000000, 0.0004844500000000, 0.0002730400000000 ] - [ 0.0000453300000000, 0.0004629900000000, -0.0002759100000000 ] - [ 0.0004900600000000, -0.0001123800000000, 0.0002420900000000 ] - [ 0.0890096400000000, 0.0147107400000000, -0.0968920600000000 ] - [ 0.0014163300000000, 0.0021221100000000, 0.0013639900000000 ] - [ 0.0003135200000000, 0.0000200200000000, 0.0011960400000000 ] - [ -0.0063891800000000, -0.0016493500000000, 0.0021176700000000 ] - [ -0.0007900100000000, 0.0006414500000000, 0.0002565100000000 ] - [ -0.0003612200000000, -0.0002920800000000, -0.0000769900000000 ] - [ 0.0004581200000000, -0.0003470200000000, 0.0000665000000000 ] - [ 0.0004416800000000, 0.0013682600000000, -0.0002269700000000 ] - [ 0.0009611100000000, -0.0025650800000000, 0.0020335300000000 ] - [ -0.0004105500000000, -0.0005926600000000, 0.0009489000000000 ] - [ 0.0201653800000000, -0.0088712700000000, -0.0087698900000000 ] - [ -0.0135725200000000, 0.0078095200000000, 0.0005147800000000 ] - [ -0.0000964100000000, -0.0000128200000000, -0.0000100200000000 ] - [ -0.0000877500000000, 0.0011717900000000, -0.0002084100000000 ] - [ 0.0001641600000000, 0.0008240000000000, 0.0001806400000000 ] - [ 0.0000866000000000, 0.0003769800000000, -0.0000211200000000 ] - [ 0.0012281600000000, -0.0006318400000000, -0.0009739500000000 ] - [ -0.0094260000000000, -0.0058073500000000, 0.0136289200000000 ] - [ 0.0024660700000000, -0.0024486900000000, -0.0026199900000000 ] - [ -0.0007666100000000, 0.0002611700000000, -0.0008256700000000 ] - [ -0.0002322200000000, -0.0001003600000000, -0.0004886500000000 ] - [ 0.0011434900000000, 0.0013344100000000, 0.0002701900000000 ] - [ -0.0002316700000000, 0.0001525100000000, -0.0008156600000000 ] - [ 0.0001400300000000, -0.0000734700000000, 0.0005429600000000 ] - [ 0.0003044200000000, -0.0008247700000000, 0.0000386100000000 ] - [ -0.0007621700000000, -0.0004517900000000, 0.0024213600000000 ] - [ 0.0354752800000000, -0.0343814800000000, 0.0287993300000000 ] - [ -0.0002201100000000, 0.0010049800000000, -0.0012018000000000 ] - [ -0.0002019300000000, 0.0006737200000000, -0.0000174700000000 ] - [ 0.0007929600000000, 0.0006812000000000, 0.0009044100000000 ] - [ -0.0005477600000000, -0.0005163000000000, -0.0002865600000000 ] - [ 0.0002139500000000, 0.0007597300000000, 0.0000728100000000 ] - [ 0.0072139800000000, -0.0005170100000000, -0.0001693800000000 ] - [ -0.0004781700000000, 0.0001301900000000, -0.0001517500000000 ] - [ 0.0013201400000000, -0.0022467400000000, -0.0015761100000000 ] - [ -0.0000990000000000, 0.0002247100000000, 0.0001004800000000 ] - [ -0.0077184100000000, 0.0021540800000000, -0.0027694900000000 ] - [ 0.0002217300000000, -0.0002728200000000, 0.0001165600000000 ] - [ -0.0008963200000000, 0.0025925200000000, 0.0044646900000000 ] - [ 0.0709142900000000, 0.0007298200000000, -0.0069784700000000 ] - [ 0.0005578700000000, -0.0009304100000000, 0.0006030500000000 ] - [ 0.0007229400000000, -0.0002697200000000, -0.0002418100000000 ] - [ -0.0004913300000000, -0.0001494100000000, 0.0002564500000000 ] - [ -0.0017434500000000, -0.0016067300000000, 0.0000806400000000 ] - [ -0.3576644000000000, 0.0006183000000000, 0.0299709900000000 ] - [ 0.0009189300000000, -0.0045240500000000, -0.0021158300000000 ] - [ -0.0000974800000000, 0.0020033400000000, -0.0013550400000000 ] - [ 0.0029825400000000, 0.0003063300000000, -0.0007799900000000 ] - [ 0.0002970000000000, -0.0003164900000000, -0.0003798900000000 ] - [ 0.0002278300000000, -0.0002975200000000, -0.0000686200000000 ] - [ -0.0000934500000000, -0.0000755100000000, 0.0000243400000000 ] - [ -0.0009697400000000, -0.0016719900000000, 0.0001138900000000 ] - [ 0.0007725200000000, 0.0002572000000000, 0.0002054800000000 ] - [ 0.0014589000000000, 0.0107581700000000, -0.0071832700000000 ] - [ -0.0087411900000000, -0.0006996900000000, 0.0077959200000000 ] - [ 0.0000955000000000, -0.0008528000000000, 0.0013406500000000 ] - [ -0.0003189800000000, -0.0008193200000000, -0.0004756900000000 ] - [ -0.0080691800000000, -0.0010812400000000, -0.0009929300000000 ] - [ 0.0035672100000000, 0.0013755600000000, 0.0009220900000000 ] - [ 0.0005596600000000, -0.0008106100000000, 0.0000679300000000 ] - [ -0.0009761200000000, -0.0005822200000000, -0.0015449300000000 ] - [ 0.0267383600000000, -0.0192503600000000, -0.0159458200000000 ] - [ -0.0003034700000000, -0.0011224400000000, 0.0000398800000000 ] - [ 0.0028766700000000, -0.0007157500000000, -0.0008473000000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012437800000000, 0.0016595300000000, 0.0034890800000000 ] - [ -0.0049655300000000, -0.0046796100000000, 0.0027024400000000 ] - [ 0.0001578000000000, 0.0004759200000000, 0.0000419700000000 ] - [ -0.0001230100000000, -0.0000084400000000, 0.0000358500000000 ] - [ -0.0032170600000000, 0.0032337900000000, -0.0006074100000000 ] - [ 0.0001189100000000, 0.0004464800000000, -0.0000764800000000 ] - [ 0.0001135900000000, 0.0001029100000000, 0.0000439300000000 ] - [ -0.0011845300000000, 0.0003797900000000, 0.0000376800000000 ] - [ -0.0025457900000000, -0.0076931700000000, -0.0025927500000000 ] - [ 0.0005933600000000, -0.0012763500000000, 0.0006200500000000 ] - [ -0.0005188500000000, -0.0007602100000000, -0.0010441800000000 ] - [ 0.0014246800000000, 0.0001569400000000, 0.0009783400000000 ] - [ 0.0017028200000000, 0.0018644100000000, 0.0003251800000000 ] - [ -0.0005900900000000, 0.0004794500000000, -0.0007665400000000 ] - [ 0.0002057400000000, 0.0000925700000000, 0.0010429400000000 ] - [ 0.0019334200000000, -0.0029653800000000, 0.0010783200000000 ] - [ -0.0015364800000000, -0.0021240200000000, -0.0069417000000000 ] - [ -0.0004969700000000, -0.0004947000000000, -0.0002989200000000 ] - [ 0.0007385300000000, -0.0008863900000000, 0.0000604100000000 ] - [ 0.0219664300000000, 0.0027652500000000, 0.0054477900000000 ] - [ 0.0010349000000000, -0.0006213300000000, 0.0000953800000000 ] - [ 0.0004223600000000, 0.0000919900000000, -0.0000039700000000 ] - [ -0.0005280700000000, -0.0000219100000000, 0.0000832600000000 ] - [ -0.0002040000000000, -0.0019207600000000, -0.0000096200000000 ] - [ -0.1690501800000000, -0.0325706500000000, -0.0653726200000000 ] - [ -0.0009207900000000, -0.0015745200000000, -0.0005853600000000 ] - [ 0.0006090400000000, 0.0001473300000000, 0.0000469400000000 ] - [ -0.0021235800000000, 0.0006044500000000, 0.0023944700000000 ] - [ -0.0005897700000000, -0.0001599300000000, -0.0003074600000000 ] - [ -0.0000191500000000, 0.0000677900000000, 0.0002882200000000 ] - [ 0.0002065100000000, 0.0000884600000000, -0.0002832100000000 ] - [ -0.0002426900000000, -0.0004400500000000, 0.0003175800000000 ] - [ -0.0861307900000000, -0.0154272000000000, 0.0924546500000000 ] - [ -0.0005037100000000, -0.0009184500000000, -0.0011338200000000 ] - [ -0.0012469200000000, 0.0012188100000000, -0.0014386500000000 ] - [ 0.0055005600000000, 0.0004261700000000, -0.0018823800000000 ] - [ -0.0001314000000000, 0.0005949200000000, -0.0000123900000000 ] - [ -0.0005568100000000, -0.0009391100000000, -0.0001647200000000 ] - [ 0.0004673900000000, -0.0008836900000000, 0.0001777400000000 ] - [ 0.0004848400000000, -0.0001419400000000, -0.0000196400000000 ] - [ -0.0007661800000000, 0.0034559500000000, -0.0022908600000000 ] - [ 0.0006013700000000, -0.0002931700000000, -0.0006998500000000 ] - [ -0.0201922000000000, 0.0071858600000000, 0.0080744800000000 ] - [ 0.0133418500000000, -0.0069456800000000, -0.0002638800000000 ] - [ -0.0000944000000000, -0.0008725700000000, 0.0002655200000000 ] - [ -0.0001032100000000, -0.0002802100000000, -0.0000493300000000 ] - [ 0.0000276100000000, 0.0000724900000000, 0.0000792100000000 ] - [ 0.0001046400000000, -0.0012668900000000, -0.0002396200000000 ] - [ -0.0009356100000000, 0.0015664000000000, 0.0016760300000000 ] - [ 0.0097572700000000, 0.0049434400000000, -0.0144033100000000 ] - [ -0.0027536800000000, 0.0015434200000000, 0.0033797500000000 ] - [ 0.0004944600000000, 0.0006437200000000, 0.0000903100000000 ] - [ -0.0000411900000000, -0.0008150600000000, -0.0002389600000000 ] - [ -0.0014204800000000, -0.0004289100000000, 0.0004660300000000 ] - [ 0.0005060100000000, 0.0007623800000000, 0.0000863800000000 ] - [ 0.0001344200000000, -0.0008353300000000, 0.0001931300000000 ] - [ 0.0000073300000000, 0.0001443800000000, 0.0004768100000000 ] - [ 0.0010740200000000, 0.0011309700000000, -0.0029659800000000 ] - [ -0.0362168100000000, 0.0348231900000000, -0.0280739300000000 ] - [ -0.0000881500000000, -0.0017088300000000, 0.0006979000000000 ] - [ -0.0001089200000000, 0.0000079900000000, -0.0005034300000000 ] - [ -0.0011036900000000, -0.0013712900000000, -0.0003932300000000 ] - [ 0.0008589400000000, -0.0001627100000000, -0.0002259100000000 ] - [ 0.0000991400000000, -0.0000655100000000, 0.0004271400000000 ] - [ -0.0072638000000000, 0.0005014900000000, 0.0001586200000000 ] - [ 0.0004870900000000, -0.0001040200000000, 0.0001514900000000 ] - [ -0.0013332100000000, 0.0022892100000000, 0.0015861700000000 ] - [ 0.0001169300000000, -0.0002490200000000, -0.0001009700000000 ] - [ 0.0065284800000000, -0.0012932600000000, 0.0025155500000000 ] - [ -0.0014383100000000, -0.0005745600000000, 0.0001413500000000 ] - [ 0.0020277100000000, -0.0035030200000000, -0.0047413500000000 ] - [ -0.0700776400000000, 0.0000349700000000, 0.0070154100000000 ] - [ 0.0006554300000000, 0.0000651200000000, -0.0003442400000000 ] - [ 0.0004883400000000, 0.0011214400000000, -0.0000184500000000 ] - [ -0.0007228000000000, 0.0010032800000000, 0.0000042000000000 ] - [ 0.0005368300000000, 0.0007457300000000, -0.0003430000000000 ] - [ 0.3656794300000000, 0.0032683500000000, -0.0208708000000000 ] - [ -0.0014290100000000, 0.0035981500000000, 0.0021473300000000 ] - [ 0.0005914400000000, -0.0030352800000000, 0.0013650600000000 ] - [ -0.0024748300000000, 0.0007280800000000, 0.0007867300000000 ] - [ 0.0002050100000000, -0.0007158100000000, 0.0003740000000000 ] - [ 0.0002681600000000, 0.0013184700000000, 0.0000797600000000 ] - [ -0.0004041400000000, 0.0010983200000000, -0.0000321800000000 ] - [ 0.0004763800000000, 0.0006511500000000, -0.0001068900000000 ] - [ 0.0003876100000000, -0.0000974800000000, 0.0001394800000000 ] - [ -0.0002941000000000, -0.0110270700000000, 0.0069104800000000 ] - [ 0.0076443100000000, 0.0005594500000000, -0.0074820400000000 ] - [ -0.0012619700000000, 0.0010423400000000, -0.0016838300000000 ] - [ -0.0008410300000000, 0.0006415400000000, 0.0001444200000000 ] - [ 0.0069259800000000, 0.0012676000000000, 0.0013428000000000 ] - [ -0.0024064200000000, -0.0012149200000000, -0.0012772700000000 ] - [ 0.0005950100000000, 0.0006261900000000, 0.0002666200000000 ] - [ 0.0010110300000000, 0.0014644300000000, 0.0015407100000000 ] - [ -0.0267605500000000, 0.0183370900000000, 0.0157212200000000 ] - [ 0.0003082700000000, 0.0002423300000000, -0.0000394000000000 ] - [ -0.0029066200000000, 0.0015866000000000, 0.0008642600000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0047639200000000, -0.0050423800000000, 0.0071427100000000 ] - [ 0.0027327700000000, -0.0028122900000000, -0.0032986600000000 ] - [ 0.0001495400000000, 0.0023276600000000, 0.0001109900000000 ] - [ -0.0001020800000000, 0.0017871500000000, -0.0000425000000000 ] - [ -0.0060820500000000, 0.0047495600000000, 0.0007816600000000 ] - [ -0.0009275900000000, 0.0025127200000000, -0.0005056600000000 ] - [ -0.0002329600000000, 0.0011409900000000, 0.0000702400000000 ] - [ -0.0005094300000000, -0.0006941000000000, -0.0008373900000000 ] - [ 0.0050790300000000, -0.0026869500000000, -0.0087181100000000 ] - [ 0.0021519600000000, -0.0039530300000000, -0.0000983800000000 ] - [ -0.0011928800000000, -0.0036129400000000, -0.0020907300000000 ] - [ 0.0006174800000000, 0.0015966100000000, -0.0004233600000000 ] - [ 0.0012104400000000, -0.0011906000000000, 0.0015442500000000 ] - [ 0.0017108200000000, -0.0043351700000000, 0.0000673300000000 ] - [ -0.0003325700000000, -0.0016826600000000, 0.0014630500000000 ] - [ 0.0025523500000000, -0.0053111000000000, 0.0043328400000000 ] - [ -0.0000794100000000, 0.0048211900000000, 0.0019316300000000 ] - [ 0.0001478800000000, -0.0004721900000000, -0.0009505000000000 ] - [ 0.0043472800000000, -0.0094491400000000, -0.0044804200000000 ] - [ 0.0009587300000000, 0.0046375700000000, -0.0027781500000000 ] - [ 0.0014808200000000, -0.0021722800000000, 0.0009272600000000 ] - [ -0.0000966500000000, -0.0021865400000000, 0.0005974100000000 ] - [ 0.0003137700000000, -0.0023374200000000, -0.0003122800000000 ] - [ -0.0002401500000000, -0.0047757600000000, 0.0003382100000000 ] - [ 0.0313148200000000, 0.0239335700000000, 0.0135788700000000 ] - [ -0.0111043400000000, -0.0044882700000000, -0.0000521600000000 ] - [ -0.0011603900000000, 0.0006120000000000, -0.0005794200000000 ] - [ -0.0009029900000000, 0.0026764100000000, 0.0006434800000000 ] - [ -0.0009058500000000, -0.0023069900000000, -0.0003423900000000 ] - [ -0.0000912200000000, -0.0015362500000000, 0.0002020600000000 ] - [ 0.0000915400000000, -0.0013363500000000, -0.0002007300000000 ] - [ -0.0002273100000000, -0.0018491200000000, 0.0004984800000000 ] - [ 0.0093003500000000, 0.0314971500000000, -0.0116765000000000 ] - [ 0.0028552800000000, -0.0000894700000000, -0.0017433900000000 ] - [ -0.0008348300000000, 0.0005737400000000, -0.0053992400000000 ] - [ -0.0020925200000000, 0.0022851700000000, 0.0011102400000000 ] - [ 0.0002812700000000, -0.0017798100000000, -0.0001999200000000 ] - [ -0.0009664200000000, -0.0035755600000000, -0.0006323000000000 ] - [ 0.0008700800000000, -0.0030016900000000, 0.0005816700000000 ] - [ 0.0001504600000000, -0.0023104900000000, 0.0006701900000000 ] - [ 0.0007853600000000, 0.0072195400000000, 0.0005015000000000 ] - [ -0.0004164200000000, 0.0049858000000000, -0.0007667600000000 ] - [ -0.0081224900000000, 0.1249498200000000, 0.0684045600000000 ] - [ -0.0049463800000000, 0.0122230800000000, 0.0023579200000000 ] - [ -0.0005279900000000, -0.0046406400000000, 0.0006657800000000 ] - [ 0.0003027500000000, -0.0040859400000000, 0.0004043700000000 ] - [ -0.0004822000000000, -0.0041292300000000, -0.0004874400000000 ] - [ 0.0005844800000000, -0.0059033500000000, -0.0007645800000000 ] - [ -0.0026621700000000, -0.0104612900000000, 0.0107167900000000 ] - [ -0.0006199700000000, 0.0055090400000000, -0.0005949300000000 ] - [ -0.0021891300000000, 0.0085321600000000, 0.0103436800000000 ] - [ -0.0006071500000000, 0.0017016700000000, 0.0010584900000000 ] - [ 0.0001908900000000, -0.0032385200000000, 0.0006365400000000 ] - [ -0.0008853400000000, -0.0025130700000000, 0.0010376400000000 ] - [ -0.0000908800000000, -0.0016555200000000, -0.0013060700000000 ] - [ -0.0001649300000000, -0.0032360300000000, -0.0007464000000000 ] - [ 0.0003212200000000, -0.0004586400000000, 0.0023098700000000 ] - [ -0.0001227400000000, 0.0039307000000000, 0.0028328100000000 ] - [ -0.0343816300000000, 0.0844734700000000, -0.0641490700000000 ] - [ -0.0003624000000000, -0.0013651700000000, 0.0022320700000000 ] - [ 0.0001125900000000, -0.0020746700000000, -0.0016756500000000 ] - [ -0.0006681300000000, -0.0029663800000000, -0.0020585600000000 ] - [ 0.0004248700000000, -0.0020821100000000, 0.0001398000000000 ] - [ -0.0003241600000000, -0.0029384600000000, 0.0015414000000000 ] - [ -0.0077515000000000, -0.0004246100000000, 0.0048785400000000 ] - [ -0.0022226900000000, -0.0023892500000000, 0.0014071100000000 ] - [ -0.0025658700000000, -0.0014027200000000, -0.0014091900000000 ] - [ -0.0000655800000000, -0.0018638400000000, -0.0004558800000000 ] - [ -0.0025976000000000, -0.0070989200000000, -0.0060990900000000 ] - [ 0.0003899200000000, -0.0045369600000000, 0.0003994300000000 ] - [ 0.0148268700000000, 0.0498127400000000, 0.0018789200000000 ] - [ 0.0057521900000000, -0.0137464900000000, -0.0016689200000000 ] - [ 0.0011201200000000, 0.0040870500000000, 0.0003774600000000 ] - [ 0.0004829100000000, 0.0057070700000000, 0.0005847500000000 ] - [ -0.0004878600000000, 0.0059059500000000, -0.0005556600000000 ] - [ -0.0000476300000000, 0.0070997200000000, -0.0006661800000000 ] - [ -0.0020445800000000, -0.2921330600000000, 0.0032622900000000 ] - [ 0.0038182900000000, -0.0051105000000000, -0.0056995300000000 ] - [ 0.0027669800000000, -0.0050823700000000, 0.0030901900000000 ] - [ 0.0004614500000000, -0.0077059000000000, -0.0005361100000000 ] - [ 0.0004454900000000, 0.0048492700000000, 0.0011535500000000 ] - [ 0.0010574200000000, 0.0069010200000000, 0.0007565100000000 ] - [ -0.0008347200000000, 0.0057388900000000, -0.0006624300000000 ] - [ 0.0009101600000000, 0.0051835200000000, -0.0010700300000000 ] - [ -0.0012007100000000, 0.0101372400000000, -0.0060030900000000 ] - [ 0.0049294600000000, -0.0067306900000000, -0.0022744100000000 ] - [ 0.0078183600000000, 0.0066403800000000, -0.0331239100000000 ] - [ 0.0012537100000000, 0.0016027700000000, -0.0032626000000000 ] - [ -0.0011717200000000, 0.0048905300000000, 0.0011068800000000 ] - [ 0.0031745900000000, 0.0080754600000000, 0.0058576200000000 ] - [ 0.0022954600000000, 0.0024325100000000, 0.0006954200000000 ] - [ 0.0016487100000000, 0.0057653800000000, 0.0005719000000000 ] - [ -0.0039479300000000, 0.0056207700000000, 0.0075029500000000 ] - [ -0.0046966700000000, -0.0172759600000000, 0.0081139400000000 ] - [ -0.0008561500000000, 0.0061043700000000, -0.0008772500000000 ] - [ -0.0032800500000000, 0.0070074500000000, -0.0011373300000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047574400000000, 0.0044429300000000, -0.0071356000000000 ] - [ -0.0027094200000000, 0.0033742000000000, 0.0032833700000000 ] - [ -0.0001524100000000, -0.0017497000000000, -0.0001120900000000 ] - [ 0.0001024600000000, -0.0023723400000000, 0.0000428500000000 ] - [ 0.0061485200000000, -0.0047635100000000, -0.0007496400000000 ] - [ 0.0009283500000000, -0.0025167500000000, 0.0005099600000000 ] - [ 0.0002323900000000, -0.0011446200000000, -0.0000730700000000 ] - [ 0.0005070300000000, 0.0007028500000000, 0.0008229700000000 ] - [ -0.0044050500000000, 0.0037613400000000, 0.0071565000000000 ] - [ -0.0013901500000000, 0.0029516600000000, 0.0018007200000000 ] - [ 0.0004255300000000, 0.0026063700000000, 0.0003927100000000 ] - [ -0.0014022100000000, -0.0006089900000000, 0.0021463900000000 ] - [ -0.0019819700000000, 0.0001531400000000, 0.0001525600000000 ] - [ -0.0024664700000000, 0.0053308100000000, -0.0017720100000000 ] - [ 0.0010965700000000, 0.0026922600000000, 0.0002468200000000 ] - [ -0.0017636600000000, 0.0042296000000000, -0.0059851400000000 ] - [ -0.0009726200000000, -0.0041789000000000, -0.0020381400000000 ] - [ -0.0012083600000000, -0.0002130900000000, 0.0010588000000000 ] - [ -0.0032998400000000, 0.0088235600000000, 0.0043588700000000 ] - [ 0.0000571800000000, -0.0040185500000000, 0.0028765500000000 ] - [ -0.0004106700000000, 0.0014672000000000, -0.0008131000000000 ] - [ 0.0011552100000000, 0.0028779400000000, -0.0006967900000000 ] - [ -0.0013754400000000, 0.0030324900000000, 0.0004147100000000 ] - [ -0.0008358200000000, 0.0040841800000000, -0.0004764200000000 ] - [ -0.0304028600000000, -0.0228407000000000, -0.0128245800000000 ] - [ 0.0113545400000000, 0.0039406900000000, -0.0005077000000000 ] - [ 0.0009119400000000, -0.0011613100000000, 0.0011350200000000 ] - [ 0.0006502800000000, -0.0021302600000000, -0.0012005000000000 ] - [ 0.0006506400000000, 0.0017549900000000, -0.0002186400000000 ] - [ -0.0001604100000000, 0.0020927000000000, 0.0003525100000000 ] - [ 0.0001672000000000, 0.0018923200000000, -0.0003544700000000 ] - [ 0.0004889400000000, 0.0012918600000000, 0.0000599500000000 ] - [ -0.0090974000000000, -0.0329845200000000, 0.0122781200000000 ] - [ -0.0019192400000000, 0.0013201300000000, 0.0019995600000000 ] - [ -0.0000968400000000, 0.0006605700000000, 0.0051544700000000 ] - [ 0.0011814400000000, -0.0035082400000000, -0.0008801900000000 ] - [ -0.0012088600000000, 0.0029996900000000, 0.0004441100000000 ] - [ 0.0000364000000000, 0.0023536700000000, 0.0003767600000000 ] - [ 0.0000567300000000, 0.0017745000000000, -0.0003316800000000 ] - [ 0.0007739400000000, 0.0035275600000000, -0.0009194700000000 ] - [ -0.0005843200000000, -0.0063040600000000, -0.0007501800000000 ] - [ 0.0006079700000000, -0.0058563500000000, 0.0010134200000000 ] - [ 0.0073773900000000, -0.1195478400000000, -0.0640880500000000 ] - [ 0.0047272800000000, -0.0112785200000000, -0.0021031300000000 ] - [ 0.0003349500000000, 0.0037448400000000, -0.0004107300000000 ] - [ -0.0004965600000000, 0.0049866600000000, -0.0006542600000000 ] - [ 0.0006779600000000, 0.0050300600000000, 0.0007396500000000 ] - [ -0.0003910700000000, 0.0050180200000000, 0.0005111700000000 ] - [ 0.0029201300000000, 0.0112771800000000, -0.0099710400000000 ] - [ 0.0008703700000000, -0.0064314700000000, -0.0000842300000000 ] - [ 0.0019094000000000, -0.0094216400000000, -0.0096201000000000 ] - [ 0.0003317900000000, -0.0007807100000000, -0.0017679500000000 ] - [ -0.0004657900000000, 0.0023349000000000, -0.0013642200000000 ] - [ 0.0006198000000000, 0.0034386600000000, -0.0003238500000000 ] - [ 0.0003706000000000, 0.0025645100000000, 0.0005933600000000 ] - [ 0.0004403200000000, 0.0023392600000000, 0.0014757700000000 ] - [ -0.0000123600000000, -0.0002143100000000, -0.0017692700000000 ] - [ 0.0004253000000000, -0.0032599500000000, -0.0033457400000000 ] - [ 0.0356737700000000, -0.0862419700000000, 0.0683377500000000 ] - [ 0.0000583900000000, 0.0006980500000000, -0.0027665900000000 ] - [ -0.0004209000000000, 0.0027649300000000, 0.0011654200000000 ] - [ 0.0003644100000000, 0.0022963300000000, 0.0026133300000000 ] - [ -0.0001198500000000, 0.0013947500000000, -0.0006558400000000 ] - [ 0.0006303900000000, 0.0036313800000000, -0.0010391800000000 ] - [ 0.0077435900000000, 0.0003757400000000, -0.0048893700000000 ] - [ 0.0022144900000000, 0.0024031400000000, -0.0013984700000000 ] - [ 0.0026049500000000, 0.0014390300000000, 0.0014289000000000 ] - [ 0.0000783700000000, 0.0018367900000000, 0.0004536200000000 ] - [ 0.0013765700000000, 0.0079666300000000, 0.0058637700000000 ] - [ -0.0015979300000000, 0.0036582000000000, -0.0001514000000000 ] - [ -0.0136120100000000, -0.0503190600000000, -0.0018177500000000 ] - [ -0.0044874500000000, 0.0146019800000000, 0.0019347400000000 ] - [ 0.0000835200000000, -0.0049444500000000, -0.0001284600000000 ] - [ 0.0007292400000000, -0.0048544500000000, -0.0008511500000000 ] - [ -0.0007229100000000, -0.0050530700000000, 0.0008202400000000 ] - [ -0.0011605300000000, -0.0079808100000000, 0.0004289000000000 ] - [ 0.0004985100000000, 0.2887016300000000, -0.0130694200000000 ] - [ -0.0043002800000000, 0.0040502200000000, 0.0056872900000000 ] - [ -0.0022706800000000, 0.0040273800000000, -0.0030976700000000 ] - [ 0.0000403600000000, 0.0087327900000000, 0.0005362900000000 ] - [ 0.0000464100000000, -0.0058777900000000, -0.0011531400000000 ] - [ -0.0005601700000000, -0.0058852600000000, -0.0007412200000000 ] - [ 0.0003384800000000, -0.0047171400000000, 0.0006482400000000 ] - [ -0.0014114200000000, -0.0062125400000000, 0.0010592500000000 ] - [ 0.0023427000000000, -0.0099078800000000, 0.0062863600000000 ] - [ -0.0037867100000000, 0.0066054300000000, 0.0019182900000000 ] - [ -0.0088655000000000, -0.0068276300000000, 0.0335307300000000 ] - [ -0.0023963700000000, -0.0014393600000000, 0.0029271200000000 ] - [ 0.0000154200000000, -0.0050782900000000, -0.0014432300000000 ] - [ -0.0044109900000000, -0.0079959500000000, -0.0056035900000000 ] - [ -0.0011592800000000, -0.0022553000000000, -0.0010426500000000 ] - [ -0.0005004700000000, -0.0059567400000000, -0.0002359800000000 ] - [ 0.0039583500000000, -0.0047689100000000, -0.0075043600000000 ] - [ 0.0047719700000000, 0.0166053300000000, -0.0081417500000000 ] - [ 0.0008506600000000, -0.0069813700000000, 0.0008705900000000 ] - [ 0.0032767500000000, -0.0060787100000000, 0.0011647000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0047653900000000, 0.0023423600000000, 0.0051596100000000 ] - [ -0.0040349800000000, -0.0066259900000000, 0.0035003800000000 ] - [ 0.0000486900000000, 0.0009388200000000, 0.0000298400000000 ] - [ 0.0000622700000000, -0.0002538400000000, 0.0000529300000000 ] - [ 0.0039353500000000, -0.0022095100000000, -0.0065670000000000 ] - [ -0.0005817900000000, 0.0007029900000000, -0.0007398900000000 ] - [ -0.0000962900000000, -0.0000375400000000, 0.0003110000000000 ] - [ 0.0000736500000000, 0.0010494100000000, 0.0027720300000000 ] - [ -0.0006389400000000, -0.0122981600000000, -0.0007363600000000 ] - [ 0.0010480100000000, -0.0013652800000000, 0.0004171000000000 ] - [ -0.0004320100000000, -0.0012615000000000, -0.0017555500000000 ] - [ 0.0009750000000000, -0.0017460700000000, -0.0004894700000000 ] - [ -0.0017155800000000, 0.0006551200000000, 0.0010507900000000 ] - [ -0.0004512900000000, 0.0004605500000000, -0.0004597500000000 ] - [ 0.0005664800000000, 0.0008089400000000, 0.0009810600000000 ] - [ -0.0025701300000000, 0.0042127500000000, -0.0058711600000000 ] - [ -0.0024768900000000, -0.0011896300000000, -0.0111851300000000 ] - [ 0.0002186400000000, 0.0001404700000000, -0.0010265200000000 ] - [ 0.0022883300000000, -0.0068143100000000, -0.0018541000000000 ] - [ 0.0042663900000000, -0.0040808800000000, 0.0072422700000000 ] - [ -0.0002902100000000, 0.0003568500000000, -0.0017055400000000 ] - [ 0.0005725400000000, 0.0001908500000000, -0.0001767800000000 ] - [ -0.0005213100000000, 0.0001466400000000, 0.0003027400000000 ] - [ -0.0004425500000000, 0.0035680700000000, 0.0020426900000000 ] - [ 0.0621358000000000, 0.0140357500000000, 0.0433380800000000 ] - [ -0.0070534000000000, -0.0027148000000000, 0.0013866800000000 ] - [ -0.0002751500000000, 0.0003520500000000, -0.0009104300000000 ] - [ -0.0002449900000000, 0.0001106900000000, -0.0057095500000000 ] - [ 0.0004950000000000, 0.0000184800000000, 0.0006859600000000 ] - [ -0.0002874200000000, 0.0000984300000000, 0.0004618800000000 ] - [ 0.0001437600000000, 0.0001102500000000, -0.0004027800000000 ] - [ -0.0001012300000000, -0.0001356900000000, -0.0005903200000000 ] - [ -0.0921960300000000, -0.0187222800000000, 0.1323570100000000 ] - [ 0.0024125600000000, 0.0005070000000000, 0.0003164200000000 ] - [ -0.0009642500000000, 0.0003433800000000, -0.0031695600000000 ] - [ 0.0052883900000000, 0.0005046600000000, -0.0069677100000000 ] - [ -0.0009872900000000, 0.0011071100000000, 0.0005764600000000 ] - [ -0.0004065400000000, -0.0009848300000000, 0.0000529300000000 ] - [ 0.0004800800000000, -0.0009053700000000, 0.0001112300000000 ] - [ 0.0007406400000000, 0.0014773500000000, -0.0011621100000000 ] - [ -0.0005975700000000, 0.0035954500000000, -0.0058676200000000 ] - [ 0.0003750100000000, 0.0018368400000000, -0.0024765000000000 ] - [ -0.0087391700000000, 0.0660215300000000, 0.0644628100000000 ] - [ -0.0019291000000000, 0.0088767000000000, 0.0051644900000000 ] - [ -0.0002413100000000, -0.0008233800000000, -0.0002136000000000 ] - [ 0.0000047700000000, -0.0003671100000000, -0.0005057900000000 ] - [ 0.0000298700000000, -0.0003273900000000, 0.0004875300000000 ] - [ 0.0003108300000000, -0.0003131500000000, 0.0004213200000000 ] - [ -0.0017710100000000, 0.0000010400000000, 0.0077480000000000 ] - [ 0.0020264400000000, -0.0010196500000000, 0.0092790600000000 ] - [ 0.0005865900000000, -0.0031019100000000, -0.0152780600000000 ] - [ 0.0000719900000000, 0.0021091300000000, -0.0007141500000000 ] - [ -0.0001303400000000, -0.0008887400000000, -0.0000563300000000 ] - [ -0.0007282600000000, -0.0024814200000000, 0.0028857800000000 ] - [ -0.0000095800000000, -0.0013537800000000, -0.0020900500000000 ] - [ 0.0001154700000000, -0.0008977000000000, -0.0000850600000000 ] - [ 0.0002386500000000, 0.0003711500000000, 0.0003772500000000 ] - [ 0.0004463600000000, -0.0022788600000000, -0.0051288400000000 ] - [ 0.0307173400000000, -0.0679103000000000, 0.0830668200000000 ] - [ -0.0002971700000000, 0.0003809100000000, 0.0011615500000000 ] - [ -0.0001394900000000, -0.0000353300000000, -0.0007587900000000 ] - [ -0.0003816100000000, -0.0027344100000000, -0.0033495100000000 ] - [ 0.0002291000000000, -0.0024748800000000, 0.0022496900000000 ] - [ 0.0000313100000000, -0.0003764400000000, 0.0006442600000000 ] - [ 0.0086854100000000, 0.0016486300000000, -0.0042623800000000 ] - [ -0.0003951100000000, -0.0000025600000000, 0.0002530500000000 ] - [ -0.0016410500000000, -0.0023736100000000, -0.0006096700000000 ] - [ -0.0000727100000000, -0.0003885600000000, -0.0002498300000000 ] - [ 0.0024582300000000, -0.0014390800000000, 0.0222939300000000 ] - [ -0.0004972200000000, -0.0026914600000000, 0.0021501000000000 ] - [ 0.0100363200000000, 0.0181738200000000, -0.0098074200000000 ] - [ 0.0052597900000000, -0.0059417600000000, -0.0166505700000000 ] - [ 0.0009464500000000, -0.0004298800000000, 0.0026131000000000 ] - [ 0.0004526700000000, 0.0010514400000000, 0.0004410200000000 ] - [ -0.0003614600000000, 0.0010931900000000, -0.0003384800000000 ] - [ -0.0022254600000000, -0.0017328700000000, -0.0043375000000000 ] - [ 0.0218541000000000, 0.0090504800000000, -0.3624460900000000 ] - [ 0.0018820000000000, -0.0062142500000000, -0.0072298300000000 ] - [ 0.0016061500000000, -0.0035841800000000, 0.0045796200000000 ] - [ -0.0005614200000000, 0.0010541600000000, 0.0087792700000000 ] - [ -0.0001254200000000, 0.0006407600000000, -0.0027106200000000 ] - [ 0.0003236300000000, 0.0012598300000000, -0.0007639200000000 ] - [ -0.0002785300000000, 0.0011665100000000, 0.0003475400000000 ] - [ -0.0001377600000000, 0.0005515900000000, 0.0030279900000000 ] - [ 0.0002072700000000, 0.0002246700000000, -0.0004095700000000 ] - [ -0.0044801800000000, 0.0040470000000000, 0.0020762400000000 ] - [ -0.0060146100000000, -0.0192864400000000, 0.0397999400000000 ] - [ -0.0004805000000000, -0.0013713700000000, -0.0012759300000000 ] - [ -0.0006402200000000, 0.0008552900000000, 0.0004167700000000 ] - [ 0.0029852600000000, 0.0091306900000000, 0.0039892800000000 ] - [ 0.0009628600000000, 0.0052099500000000, -0.0005023700000000 ] - [ 0.0010500400000000, 0.0013979500000000, 0.0006769800000000 ] - [ -0.0026913300000000, 0.0016174500000000, 0.0042465500000000 ] - [ -0.0250696400000000, 0.0234443200000000, 0.0223244100000000 ] - [ -0.0002087300000000, -0.0001789800000000, -0.0002745300000000 ] - [ 0.0027340900000000, -0.0046843200000000, 0.0007592600000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0047230500000000, -0.0028832100000000, -0.0051410100000000 ] - [ 0.0040779400000000, 0.0072221800000000, -0.0035026200000000 ] - [ -0.0000489000000000, -0.0003576500000000, -0.0000280400000000 ] - [ -0.0000626000000000, -0.0003294700000000, -0.0000543000000000 ] - [ -0.0039390000000000, 0.0022212900000000, 0.0065717500000000 ] - [ 0.0005840000000000, -0.0007072200000000, 0.0007429200000000 ] - [ 0.0000963100000000, 0.0000400200000000, -0.0003121900000000 ] - [ -0.0000706000000000, -0.0010605400000000, -0.0027809200000000 ] - [ 0.0013742000000000, 0.0133687700000000, -0.0009829500000000 ] - [ -0.0002926100000000, 0.0003642200000000, 0.0012994100000000 ] - [ -0.0003292400000000, 0.0002515800000000, 0.0000521900000000 ] - [ -0.0017426100000000, 0.0027583100000000, 0.0021971400000000 ] - [ 0.0009635800000000, -0.0016595700000000, 0.0006634500000000 ] - [ -0.0003129300000000, 0.0005527600000000, -0.0012528000000000 ] - [ 0.0001937500000000, 0.0001964700000000, 0.0007275100000000 ] - [ 0.0033483100000000, -0.0052487100000000, 0.0042321600000000 ] - [ 0.0013714800000000, 0.0018945800000000, 0.0110752500000000 ] - [ -0.0012837600000000, -0.0008417100000000, 0.0011342400000000 ] - [ -0.0012429100000000, 0.0061776500000000, 0.0017638100000000 ] - [ -0.0032610600000000, 0.0047464400000000, -0.0071424200000000 ] - [ 0.0013588700000000, -0.0010510700000000, 0.0018145400000000 ] - [ 0.0004963400000000, 0.0005111600000000, 0.0000712700000000 ] - [ -0.0005401700000000, 0.0005481200000000, -0.0002018700000000 ] - [ -0.0006212600000000, -0.0042749100000000, -0.0021526900000000 ] - [ -0.0625745300000000, -0.0136436900000000, -0.0423291900000000 ] - [ 0.0073217000000000, 0.0021804400000000, -0.0019391800000000 ] - [ 0.0000160800000000, -0.0009093500000000, 0.0014704300000000 ] - [ 0.0000437600000000, 0.0004367000000000, 0.0051834900000000 ] - [ -0.0007503300000000, -0.0005667500000000, -0.0012433600000000 ] - [ 0.0000287800000000, 0.0004504500000000, 0.0000973800000000 ] - [ 0.0000903700000000, 0.0004406400000000, -0.0001600100000000 ] - [ 0.0003507400000000, -0.0004102500000000, 0.0011489600000000 ] - [ 0.0988353300000000, 0.0183275400000000, -0.1380624200000000 ] - [ -0.0014773700000000, 0.0007248800000000, -0.0000436600000000 ] - [ 0.0000430400000000, 0.0008672200000000, 0.0029348200000000 ] - [ -0.0061721100000000, -0.0017235300000000, 0.0071664900000000 ] - [ 0.0000603500000000, 0.0001220000000000, -0.0003269300000000 ] - [ -0.0005216000000000, -0.0002452400000000, -0.0003025200000000 ] - [ 0.0004535200000000, -0.0003265900000000, 0.0001442200000000 ] - [ 0.0001881300000000, -0.0002499300000000, 0.0009145400000000 ] - [ 0.0007884300000000, -0.0027318500000000, 0.0056433000000000 ] - [ -0.0001670000000000, -0.0027375700000000, 0.0027268100000000 ] - [ 0.0083668600000000, -0.0644992000000000, -0.0640762600000000 ] - [ 0.0017107200000000, -0.0079668500000000, -0.0049117600000000 ] - [ 0.0000458700000000, -0.0000600500000000, 0.0004656400000000 ] - [ -0.0001941300000000, 0.0012485100000000, 0.0002487900000000 ] - [ 0.0001676600000000, 0.0012242500000000, -0.0002346200000000 ] - [ -0.0001159400000000, -0.0005826200000000, -0.0006790300000000 ] - [ 0.0020519700000000, 0.0008881800000000, -0.0070450400000000 ] - [ -0.0017242800000000, 0.0001140000000000, -0.0099702400000000 ] - [ -0.0008738600000000, 0.0022383300000000, 0.0159581600000000 ] - [ -0.0003528800000000, -0.0011999900000000, -0.0000156200000000 ] - [ -0.0001486400000000, -0.0000267400000000, -0.0006632300000000 ] - [ 0.0004483800000000, 0.0033999900000000, -0.0021691800000000 ] - [ 0.0002891600000000, 0.0022709100000000, 0.0013652500000000 ] - [ 0.0001611800000000, -0.0000117900000000, 0.0008270200000000 ] - [ 0.0000726600000000, -0.0010662300000000, 0.0001229200000000 ] - [ -0.0001304200000000, 0.0029673200000000, 0.0046263200000000 ] - [ -0.0293972300000000, 0.0650358900000000, -0.0799348900000000 ] - [ -0.0000141400000000, -0.0010501000000000, -0.0016945300000000 ] - [ -0.0001729900000000, 0.0007133800000000, 0.0002363500000000 ] - [ 0.0000706500000000, 0.0020631700000000, 0.0038756100000000 ] - [ 0.0000828300000000, 0.0017956000000000, -0.0027701600000000 ] - [ 0.0002855700000000, 0.0010665800000000, -0.0001348800000000 ] - [ -0.0087099000000000, -0.0016696300000000, 0.0042774900000000 ] - [ 0.0004084300000000, 0.0000247700000000, -0.0002562400000000 ] - [ 0.0016586300000000, 0.0024101600000000, 0.0006037000000000 ] - [ 0.0000841100000000, 0.0003705500000000, 0.0002505300000000 ] - [ -0.0036502200000000, 0.0023047700000000, -0.0225932800000000 ] - [ -0.0007073700000000, 0.0018502000000000, -0.0018889100000000 ] - [ -0.0088709000000000, -0.0190869900000000, 0.0095919900000000 ] - [ -0.0040039500000000, 0.0068177800000000, 0.0168597500000000 ] - [ 0.0002628500000000, -0.0004332500000000, -0.0023584900000000 ] - [ 0.0007623200000000, -0.0001989100000000, -0.0007011800000000 ] - [ -0.0008511000000000, -0.0002392200000000, 0.0005996700000000 ] - [ 0.0010181900000000, 0.0008803500000000, 0.0040879300000000 ] - [ -0.0291132000000000, -0.0073623600000000, 0.3641875700000000 ] - [ -0.0023808200000000, 0.0051744700000000, 0.0072105700000000 ] - [ -0.0011136300000000, 0.0026051800000000, -0.0045873300000000 ] - [ 0.0010040900000000, -0.0000179700000000, -0.0087932500000000 ] - [ 0.0006258000000000, -0.0016644900000000, 0.0027054400000000 ] - [ 0.0001727600000000, -0.0002390100000000, 0.0007748600000000 ] - [ -0.0002189800000000, -0.0001451200000000, -0.0003568500000000 ] - [ -0.0003575200000000, -0.0015774200000000, -0.0030268000000000 ] - [ 0.0009511000000000, -0.0000388900000000, 0.0007529600000000 ] - [ 0.0056254800000000, -0.0042513300000000, -0.0024369900000000 ] - [ 0.0049636700000000, 0.0187914500000000, -0.0393778000000000 ] - [ -0.0006758100000000, 0.0015529300000000, 0.0009586500000000 ] - [ -0.0005179000000000, -0.0010359100000000, -0.0007540700000000 ] - [ -0.0041615000000000, -0.0089964000000000, -0.0036479500000000 ] - [ 0.0001890100000000, -0.0050373100000000, 0.0001702600000000 ] - [ 0.0001065800000000, -0.0015820800000000, -0.0003490000000000 ] - [ 0.0026968400000000, -0.0007367600000000, -0.0042832700000000 ] - [ 0.0253147000000000, -0.0243521600000000, -0.0223790900000000 ] - [ 0.0002092400000000, -0.0006974000000000, 0.0002782600000000 ] - [ -0.0027474500000000, 0.0055728800000000, -0.0007627200000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005252300000000, 0.0000330700000000, 0.0003881600000000 ] - [ -0.0007696300000000, -0.0039402000000000, 0.0003116800000000 ] - [ 0.0006481900000000, -0.0004669400000000, 0.0003350400000000 ] - [ -0.0002750700000000, -0.0004348100000000, -0.0000566200000000 ] - [ -0.0000739500000000, -0.0003136000000000, 0.0000185100000000 ] - [ 0.0053850500000000, -0.0000431000000000, -0.0059023100000000 ] - [ 0.0036085800000000, -0.0009805600000000, 0.0034818800000000 ] - [ -0.0001185000000000, -0.0001761800000000, 0.0000443300000000 ] - [ 0.0006802700000000, 0.0011263700000000, -0.0007195200000000 ] - [ -0.0003618200000000, -0.0014681600000000, 0.0008549700000000 ] - [ -0.0010495700000000, -0.0005647100000000, -0.0020947000000000 ] - [ -0.0005006300000000, 0.0010551500000000, 0.0009012300000000 ] - [ -0.0001712700000000, 0.0000171600000000, 0.0008434200000000 ] - [ 0.0868940700000000, -0.0746453300000000, -0.0587555600000000 ] - [ -0.0210144200000000, -0.0053695600000000, 0.0003690800000000 ] - [ 0.0003018100000000, -0.0001535000000000, -0.0009354100000000 ] - [ -0.0002256700000000, 0.0000105200000000, 0.0002986800000000 ] - [ -0.0027223900000000, -0.0013426300000000, 0.0020448100000000 ] - [ 0.0017332300000000, -0.0029213900000000, 0.0003178100000000 ] - [ 0.0007023700000000, 0.0009976600000000, 0.0001634300000000 ] - [ 0.0005064200000000, -0.0001153100000000, 0.0000162100000000 ] - [ 0.0036557400000000, 0.0060659200000000, -0.0068516200000000 ] - [ -0.0065169700000000, 0.0007717100000000, 0.0014261900000000 ] - [ -0.0003597400000000, 0.0001017800000000, 0.0000832200000000 ] - [ -0.0000204200000000, 0.0006333600000000, 0.0003755400000000 ] - [ 0.0009445400000000, 0.0011260100000000, -0.0012043400000000 ] - [ 0.0074283600000000, -0.0008671800000000, 0.0003762100000000 ] - [ -0.0009289000000000, 0.0002656300000000, -0.0003211000000000 ] - [ -0.0002468300000000, -0.0000593700000000, -0.0002366500000000 ] - [ 0.0013408300000000, -0.0018963200000000, -0.0007884300000000 ] - [ 0.0016068300000000, -0.0021199100000000, 0.0009817100000000 ] - [ -0.0001842700000000, -0.0000861700000000, 0.0002253900000000 ] - [ 0.0004614500000000, 0.0001141500000000, 0.0002330600000000 ] - [ -0.0009606300000000, 0.0004182600000000, -0.0016841700000000 ] - [ -0.0021323300000000, -0.0011391500000000, -0.0033072000000000 ] - [ -0.0001809000000000, 0.0005268900000000, 0.0002177400000000 ] - [ -0.0004674900000000, 0.0008745000000000, 0.0002246100000000 ] - [ 0.0001496400000000, 0.0072201200000000, 0.0013642700000000 ] - [ -0.0013084100000000, -0.0005377200000000, -0.0004427900000000 ] - [ 0.0006571500000000, 0.0010085800000000, -0.0002650800000000 ] - [ 0.0013030400000000, -0.0040042300000000, -0.0000257000000000 ] - [ -0.0006287400000000, 0.0011768600000000, 0.0017325300000000 ] - [ 0.0007160400000000, 0.0015922600000000, -0.0021591900000000 ] - [ -0.0004386000000000, 0.0022462200000000, -0.0003173500000000 ] - [ -0.0004643400000000, -0.0007685100000000, 0.0002598200000000 ] - [ 0.0005213600000000, 0.0021270300000000, -0.0006077100000000 ] - [ -0.0004966800000000, 0.0007890800000000, 0.0003845900000000 ] - [ 0.0008220300000000, 0.0002988300000000, 0.0002466100000000 ] - [ 0.0217733700000000, -0.0125053900000000, 0.0044499400000000 ] - [ 0.0000934100000000, 0.0001488000000000, -0.0007712100000000 ] - [ -0.0003325700000000, -0.0006726400000000, -0.0000959500000000 ] - [ -0.0099513700000000, 0.0100462300000000, 0.0102143600000000 ] - [ -0.0004363300000000, -0.0005745900000000, -0.0001444000000000 ] - [ -0.0000359500000000, 0.0012087600000000, 0.0002257100000000 ] - [ -0.0000267600000000, 0.0007262700000000, -0.0003376600000000 ] - [ 0.0016089600000000, 0.0000107300000000, 0.0002072000000000 ] - [ 0.0380334800000000, 0.0099078100000000, 0.0462321200000000 ] - [ 0.0001841600000000, 0.0008376600000000, -0.0001164200000000 ] - [ -0.0002178200000000, 0.0009297200000000, -0.0001716400000000 ] - [ -0.0118151500000000, 0.0037100000000000, -0.0072319600000000 ] - [ -0.0009015700000000, -0.0000190000000000, -0.0002500800000000 ] - [ -0.0000800100000000, 0.0001404100000000, 0.0004294700000000 ] - [ 0.0000778900000000, 0.0000193800000000, -0.0004382900000000 ] - [ 0.0016909000000000, 0.0008114200000000, 0.0033892500000000 ] - [ -0.0001822200000000, 0.0002006000000000, -0.0000929500000000 ] - [ 0.1638527400000000, 0.0754072300000000, -0.0009376200000000 ] - [ -0.0001459700000000, 0.0002858900000000, 0.0000082300000000 ] - [ 0.0010673900000000, -0.0006685200000000, 0.0000192300000000 ] - [ 0.0005436100000000, 0.0021074100000000, 0.0001812400000000 ] - [ 0.0003527400000000, -0.0014448200000000, -0.0122815800000000 ] - [ -0.0045497300000000, 0.0013011700000000, 0.0049877000000000 ] - [ 0.0010471500000000, -0.0011826100000000, 0.0004210900000000 ] - [ 0.0009414900000000, -0.0005816700000000, 0.0001509900000000 ] - [ -0.0069204000000000, -0.0015624800000000, 0.0000063300000000 ] - [ 0.0024576200000000, 0.0013791200000000, 0.0007048300000000 ] - [ -0.0005334100000000, -0.0016065800000000, -0.0003943400000000 ] - [ -0.0000549200000000, -0.0012494900000000, -0.0003642100000000 ] - [ 0.0006113500000000, -0.0048993200000000, 0.0050820200000000 ] - [ -0.0079739400000000, 0.0078358700000000, 0.0055165600000000 ] - [ 0.0009298500000000, -0.0013253500000000, 0.0000947300000000 ] - [ 0.0005093300000000, -0.0011049200000000, -0.0000649600000000 ] - [ -0.0072602200000000, -0.0032916800000000, -0.0035763000000000 ] - [ 0.0027360000000000, 0.0022508600000000, -0.0003945700000000 ] - [ -0.0002672200000000, -0.0015861300000000, 0.0004763900000000 ] - [ -0.3625357100000000, 0.0184739800000000, 0.0066203300000000 ] - [ 0.0005713100000000, -0.0010230600000000, -0.0001247100000000 ] - [ -0.0005176400000000, -0.0004770500000000, 0.0007689600000000 ] - [ 0.0699079300000000, -0.0054080100000000, -0.0021076600000000 ] - [ -0.0004315900000000, 0.0008210000000000, -0.0003205000000000 ] - [ -0.0006452000000000, -0.0008056900000000, 0.0000804000000000 ] - [ 0.0008299100000000, -0.0005650000000000, -0.0000975200000000 ] - [ -0.0018964700000000, 0.0012214400000000, -0.0005421200000000 ] - [ 0.0041639300000000, 0.0010883000000000, 0.0010174800000000 ] - [ -0.0006586900000000, -0.0017827100000000, -0.0005392000000000 ] - [ 0.0266877200000000, -0.0222961200000000, 0.0082837600000000 ] - [ -0.0002754900000000, -0.0004198400000000, -0.0000177500000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005180700000000, -0.0006151600000000, -0.0003921700000000 ] - [ 0.0007371800000000, 0.0045021400000000, -0.0003051000000000 ] - [ -0.0006464700000000, 0.0010483900000000, -0.0003319600000000 ] - [ 0.0002717200000000, -0.0001455700000000, 0.0000550500000000 ] - [ 0.0000708000000000, 0.0003137300000000, -0.0000188800000000 ] - [ -0.0053800700000000, 0.0000793500000000, 0.0059386100000000 ] - [ -0.0036000700000000, 0.0010044300000000, -0.0035259300000000 ] - [ 0.0001152500000000, 0.0001759200000000, -0.0000444100000000 ] - [ 0.0000911000000000, -0.0001123200000000, -0.0009837600000000 ] - [ 0.0011253900000000, 0.0004523600000000, 0.0008492700000000 ] - [ 0.0002669900000000, -0.0004466000000000, 0.0003920900000000 ] - [ -0.0002698000000000, -0.0000416300000000, 0.0008025100000000 ] - [ -0.0005934200000000, -0.0010215800000000, 0.0008657900000000 ] - [ -0.0895726900000000, 0.0790964000000000, 0.0595010100000000 ] - [ 0.0219272700000000, 0.0063017900000000, 0.0012940800000000 ] - [ 0.0004657700000000, -0.0008587300000000, -0.0007700100000000 ] - [ -0.0008307800000000, 0.0006779200000000, -0.0004013500000000 ] - [ 0.0016493800000000, 0.0006495500000000, -0.0019095600000000 ] - [ -0.0007042800000000, 0.0022370700000000, -0.0004082700000000 ] - [ 0.0003549000000000, -0.0003017500000000, -0.0000599100000000 ] - [ 0.0005519300000000, -0.0005797500000000, 0.0000886500000000 ] - [ -0.0026341300000000, -0.0053798300000000, 0.0067447000000000 ] - [ 0.0054189700000000, -0.0000726600000000, -0.0013101400000000 ] - [ -0.0007018300000000, -0.0008002800000000, -0.0001872900000000 ] - [ 0.0002683300000000, -0.0000747000000000, 0.0001737400000000 ] - [ -0.0006474200000000, -0.0016717700000000, 0.0006686100000000 ] - [ -0.0076415400000000, 0.0003155300000000, 0.0001796600000000 ] - [ 0.0006664800000000, 0.0002946600000000, -0.0002305800000000 ] - [ 0.0000004800000000, -0.0004971000000000, -0.0003154700000000 ] - [ -0.0015809600000000, 0.0024444200000000, 0.0013343600000000 ] - [ -0.0013399000000000, 0.0026642100000000, -0.0015239800000000 ] - [ 0.0004343000000000, -0.0004718400000000, 0.0003267000000000 ] - [ 0.0004747500000000, -0.0013476600000000, -0.0004938500000000 ] - [ 0.0018847300000000, 0.0008073900000000, 0.0019381600000000 ] - [ 0.0011754200000000, 0.0023473300000000, 0.0030041000000000 ] - [ -0.0007459700000000, -0.0017408300000000, 0.0000351200000000 ] - [ -0.0004681100000000, 0.0003512500000000, 0.0000358400000000 ] - [ -0.0010771200000000, -0.0084000100000000, -0.0016217900000000 ] - [ 0.0022319800000000, -0.0007036300000000, 0.0006970800000000 ] - [ 0.0002745800000000, 0.0002173500000000, 0.0000091600000000 ] - [ -0.0011053400000000, 0.0048604400000000, -0.0002284800000000 ] - [ 0.0008179400000000, -0.0020521000000000, -0.0014739900000000 ] - [ -0.0009274100000000, -0.0025122800000000, 0.0019339100000000 ] - [ 0.0002451500000000, -0.0013354600000000, 0.0005572300000000 ] - [ 0.0002692900000000, -0.0001296400000000, -0.0000078700000000 ] - [ -0.0007165000000000, -0.0012298700000000, 0.0003572500000000 ] - [ 0.0006857700000000, 0.0000916900000000, -0.0001353200000000 ] - [ -0.0006300200000000, -0.0011801800000000, -0.0004947400000000 ] - [ -0.0217096600000000, 0.0140051300000000, -0.0041264200000000 ] - [ 0.0001730000000000, -0.0010558200000000, 0.0000513300000000 ] - [ 0.0000580200000000, -0.0002316400000000, 0.0008208200000000 ] - [ 0.0096216400000000, -0.0091182000000000, -0.0108644800000000 ] - [ 0.0001660400000000, -0.0003311900000000, -0.0005812700000000 ] - [ -0.0002364000000000, -0.0003060300000000, 0.0005065500000000 ] - [ 0.0002966100000000, 0.0001776100000000, -0.0003866200000000 ] - [ -0.0013352800000000, -0.0009074800000000, 0.0005172900000000 ] - [ -0.0373067400000000, -0.0107038400000000, -0.0461337200000000 ] - [ 0.0001198800000000, -0.0001482200000000, -0.0004019100000000 ] - [ -0.0000848600000000, -0.0002459300000000, 0.0006837500000000 ] - [ 0.0115520200000000, -0.0043834000000000, 0.0066848900000000 ] - [ 0.0005976800000000, 0.0007010300000000, -0.0002573300000000 ] - [ -0.0002250900000000, -0.0008296900000000, 0.0000787300000000 ] - [ 0.0002220700000000, -0.0007017000000000, -0.0000779700000000 ] - [ -0.0013914900000000, -0.0001258700000000, -0.0028691300000000 ] - [ 0.0001674600000000, -0.0002241300000000, 0.0000928300000000 ] - [ -0.1544561600000000, -0.0704736200000000, 0.0009070500000000 ] - [ 0.0001350800000000, -0.0002577500000000, -0.0000090400000000 ] - [ -0.0010527600000000, 0.0006380100000000, -0.0000182600000000 ] - [ -0.0017436600000000, -0.0012359700000000, -0.0004403400000000 ] - [ -0.0015693000000000, 0.0005661800000000, 0.0124257600000000 ] - [ 0.0057614300000000, -0.0021233300000000, -0.0053401100000000 ] - [ 0.0001711800000000, 0.0020266200000000, -0.0001588300000000 ] - [ 0.0002709600000000, -0.0002734800000000, 0.0001084800000000 ] - [ 0.0081179700000000, 0.0024063200000000, -0.0002636300000000 ] - [ -0.0036721200000000, -0.0005209000000000, -0.0004476900000000 ] - [ -0.0006803100000000, 0.0007439000000000, 0.0001314500000000 ] - [ -0.0004400900000000, 0.0022932600000000, 0.0003784700000000 ] - [ -0.0011404000000000, 0.0038160000000000, -0.0050196300000000 ] - [ 0.0084128600000000, -0.0088500700000000, -0.0054642700000000 ] - [ -0.0004288400000000, 0.0023247300000000, -0.0000993700000000 ] - [ -0.0000115500000000, 0.0000838400000000, 0.0000574000000000 ] - [ 0.0077327700000000, 0.0042959100000000, 0.0035690600000000 ] - [ -0.0032380300000000, -0.0012056800000000, 0.0003804000000000 ] - [ -0.0002307500000000, 0.0005636600000000, -0.0004674600000000 ] - [ 0.3557133200000000, -0.0275229300000000, -0.0079287600000000 ] - [ 0.0005870300000000, 0.0008405200000000, -0.0002214100000000 ] - [ -0.0006400100000000, 0.0003010400000000, -0.0004276400000000 ] - [ -0.0706760500000000, 0.0058298700000000, 0.0018085600000000 ] - [ -0.0007395200000000, -0.0009956600000000, -0.0000202600000000 ] - [ -0.0005120700000000, 0.0009846400000000, 0.0002640900000000 ] - [ 0.0003282700000000, 0.0007461000000000, -0.0002448800000000 ] - [ 0.0030454300000000, -0.0013988400000000, 0.0008717300000000 ] - [ -0.0041220000000000, -0.0002190000000000, -0.0010295600000000 ] - [ 0.0006439700000000, 0.0009040900000000, 0.0005422700000000 ] - [ -0.0266676600000000, 0.0216377700000000, -0.0082072100000000 ] - [ 0.0002721800000000, 0.0012937700000000, 0.0000184300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010581700000000, -0.0000697200000000, -0.0009122100000000 ] - [ -0.0066116100000000, 0.0073621900000000, 0.0024737300000000 ] - [ -0.0004282200000000, 0.0026860100000000, -0.0000798700000000 ] - [ 0.0002026400000000, 0.0008365900000000, -0.0000289700000000 ] - [ -0.0000771200000000, 0.0017131000000000, -0.0000936400000000 ] - [ -0.0024464200000000, -0.0038596200000000, 0.0067166300000000 ] - [ 0.0004536200000000, -0.0061512900000000, -0.0033574700000000 ] - [ -0.0001991400000000, 0.0015928100000000, 0.0001249700000000 ] - [ -0.0008452600000000, -0.0032573900000000, -0.0010344400000000 ] - [ -0.0017534400000000, 0.0047332700000000, 0.0003151000000000 ] - [ 0.0013097300000000, 0.0068989600000000, -0.0007590400000000 ] - [ 0.0007758500000000, -0.0024499000000000, 0.0008494100000000 ] - [ -0.0013355200000000, -0.0033389300000000, 0.0008716300000000 ] - [ -0.0839281500000000, 0.1034559900000000, 0.0580460600000000 ] - [ 0.0043655600000000, 0.0059923700000000, 0.0055105000000000 ] - [ 0.0015556500000000, -0.0036288500000000, -0.0006677200000000 ] - [ 0.0002176000000000, -0.0024103500000000, 0.0001087000000000 ] - [ -0.0007086800000000, 0.0029834700000000, -0.0001155600000000 ] - [ -0.0069246900000000, 0.0081023700000000, 0.0084130800000000 ] - [ 0.0003777800000000, -0.0017709900000000, -0.0001562500000000 ] - [ 0.0012048500000000, -0.0026290300000000, 0.0005233000000000 ] - [ 0.0024373200000000, -0.0085298800000000, 0.0101811600000000 ] - [ 0.0032075000000000, -0.0021310700000000, -0.0033778600000000 ] - [ -0.0012031800000000, -0.0028699800000000, -0.0005096100000000 ] - [ -0.0012671600000000, -0.0016967200000000, 0.0004235000000000 ] - [ 0.0108573400000000, 0.0015400100000000, 0.0072729000000000 ] - [ 0.0043859500000000, 0.0003683500000000, -0.0005932300000000 ] - [ -0.0013000000000000, -0.0010522200000000, -0.0007323100000000 ] - [ -0.0001233500000000, -0.0017985100000000, -0.0004357800000000 ] - [ -0.0017323600000000, -0.0020091400000000, -0.0017572700000000 ] - [ -0.0027777900000000, -0.0018509400000000, 0.0015672000000000 ] - [ 0.0004176400000000, -0.0018690900000000, 0.0004931400000000 ] - [ 0.0019147100000000, -0.0057871200000000, -0.0011276200000000 ] - [ 0.0010146500000000, 0.0028024800000000, 0.0002711800000000 ] - [ -0.0021479000000000, 0.0021810100000000, -0.0012678600000000 ] - [ 0.0003103200000000, -0.0020450100000000, -0.0006198000000000 ] - [ -0.0000768900000000, -0.0014852300000000, -0.0003347700000000 ] - [ -0.0004586000000000, -0.0063944200000000, -0.0031882200000000 ] - [ 0.0023959900000000, -0.0027314500000000, 0.0011616300000000 ] - [ -0.0001174000000000, -0.0017317600000000, 0.0005566100000000 ] - [ -0.0005332500000000, -0.0041546400000000, -0.0037040600000000 ] - [ -0.0001594300000000, 0.0002231100000000, 0.0005391100000000 ] - [ -0.0028958400000000, -0.0082764000000000, 0.0051807100000000 ] - [ 0.0018807100000000, -0.0001238700000000, 0.0006148500000000 ] - [ -0.0007021300000000, -0.0039601000000000, 0.0012707400000000 ] - [ 0.0000080400000000, -0.0056694500000000, 0.0013361100000000 ] - [ -0.0002523800000000, -0.0037979900000000, -0.0010609000000000 ] - [ 0.0003707200000000, -0.0044663600000000, -0.0014998200000000 ] - [ -0.0111485900000000, 0.1177317900000000, -0.0493171100000000 ] - [ -0.0003935200000000, -0.0023487800000000, 0.0009624700000000 ] - [ -0.0002457200000000, -0.0029114000000000, -0.0007553200000000 ] - [ 0.0017464000000000, 0.0111830800000000, 0.0035852200000000 ] - [ -0.0003381200000000, 0.0006302100000000, -0.0027674700000000 ] - [ -0.0005204800000000, -0.0024114300000000, 0.0012107100000000 ] - [ 0.0004923700000000, -0.0020901100000000, -0.0012175800000000 ] - [ -0.0006917100000000, 0.0005172500000000, 0.0036675600000000 ] - [ 0.0116529700000000, 0.0309367400000000, 0.0412811400000000 ] - [ -0.0000941800000000, -0.0012077300000000, -0.0011815100000000 ] - [ 0.0002330100000000, -0.0029996700000000, 0.0021556700000000 ] - [ -0.0017781200000000, 0.0098959300000000, -0.0091251800000000 ] - [ -0.0002020300000000, 0.0022729300000000, 0.0029155300000000 ] - [ -0.0005359800000000, -0.0032109400000000, -0.0010871300000000 ] - [ 0.0004735300000000, -0.0028017000000000, 0.0008825500000000 ] - [ 0.0000877300000000, 0.0020617000000000, -0.0055205500000000 ] - [ -0.0004090200000000, -0.0016316300000000, 0.0001242700000000 ] - [ 0.0721080200000000, 0.0543234100000000, -0.0009029300000000 ] - [ -0.0000251100000000, -0.0017316800000000, -0.0000595500000000 ] - [ -0.0002067900000000, 0.0026874700000000, 0.0000400400000000 ] - [ 0.0007038200000000, 0.0068371900000000, 0.0013227800000000 ] - [ -0.0033740600000000, -0.0035111000000000, -0.0028149900000000 ] - [ 0.0052388800000000, -0.0005351200000000, -0.0426849000000000 ] - [ 0.0022149000000000, 0.0037724200000000, -0.0011302000000000 ] - [ 0.0003534700000000, 0.0041180300000000, 0.0005742300000000 ] - [ 0.0054652400000000, 0.0113789100000000, -0.0076950200000000 ] - [ 0.0006995100000000, 0.0045179800000000, 0.0041077700000000 ] - [ -0.0005990800000000, 0.0047154100000000, -0.0004270500000000 ] - [ -0.0000747400000000, 0.0105490200000000, 0.0001488200000000 ] - [ -0.0111425700000000, -0.0071692100000000, 0.0041399800000000 ] - [ -0.0003956100000000, 0.0063037800000000, 0.0190002600000000 ] - [ 0.0011958300000000, 0.0020404800000000, 0.0014532200000000 ] - [ -0.0004826900000000, 0.0044773600000000, 0.0009385200000000 ] - [ 0.0014198000000000, 0.0085576100000000, 0.0090987000000000 ] - [ 0.0010587900000000, 0.0028491200000000, -0.0051405900000000 ] - [ 0.0004710300000000, 0.0053618400000000, -0.0014895900000000 ] - [ 0.0244396000000000, -0.3294150400000000, -0.0504065700000000 ] - [ 0.0015157800000000, 0.0039511000000000, -0.0001238900000000 ] - [ -0.0009726500000000, 0.0049983600000000, -0.0012339200000000 ] - [ 0.0050049000000000, -0.0241000400000000, 0.0021774500000000 ] - [ 0.0003222200000000, -0.0061614400000000, -0.0017003100000000 ] - [ 0.0003126500000000, 0.0053429200000000, 0.0009599700000000 ] - [ -0.0000739400000000, 0.0048931100000000, -0.0005812100000000 ] - [ -0.0007257700000000, -0.0091011500000000, 0.0023496800000000 ] - [ 0.0043557700000000, -0.0082628000000000, -0.0028792000000000 ] - [ -0.0019394400000000, 0.0064265200000000, 0.0010538300000000 ] - [ -0.0248810200000000, 0.0225902300000000, -0.0012504200000000 ] - [ -0.0000317800000000, 0.0062043400000000, -0.0000658200000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010536000000000, -0.0005039600000000, 0.0009093500000000 ] - [ 0.0066646600000000, -0.0068383600000000, -0.0024618600000000 ] - [ 0.0004229700000000, -0.0020957000000000, 0.0000825300000000 ] - [ -0.0001997000000000, -0.0014195500000000, 0.0000262500000000 ] - [ 0.0000779900000000, -0.0017095000000000, 0.0000940300000000 ] - [ 0.0024378600000000, 0.0038511600000000, -0.0067243500000000 ] - [ -0.0004582200000000, 0.0060985500000000, 0.0033653100000000 ] - [ 0.0001998100000000, -0.0015888100000000, -0.0001254100000000 ] - [ 0.0016042700000000, 0.0042548900000000, -0.0006770000000000 ] - [ 0.0025140000000000, -0.0057271400000000, 0.0013942900000000 ] - [ -0.0020702000000000, -0.0078768400000000, -0.0009528200000000 ] - [ -0.0015381100000000, 0.0034518600000000, 0.0008525000000000 ] - [ 0.0005690000000000, 0.0023230900000000, 0.0008371600000000 ] - [ 0.0794960500000000, -0.1000350300000000, -0.0569981400000000 ] - [ -0.0035343000000000, -0.0049219300000000, -0.0038452800000000 ] - [ -0.0007891800000000, 0.0026098700000000, -0.0010392800000000 ] - [ -0.0012883200000000, 0.0031094700000000, -0.0002179800000000 ] - [ -0.0003592900000000, -0.0036746100000000, 0.0002100000000000 ] - [ 0.0079926300000000, -0.0087777200000000, -0.0085348100000000 ] - [ 0.0006820300000000, 0.0024548900000000, 0.0002570800000000 ] - [ -0.0001441800000000, 0.0019318300000000, -0.0004202100000000 ] - [ -0.0012846700000000, 0.0091193000000000, -0.0101896000000000 ] - [ -0.0043133400000000, 0.0028771700000000, 0.0035082100000000 ] - [ 0.0001333700000000, 0.0021652800000000, 0.0004028100000000 ] - [ 0.0015276400000000, 0.0022445200000000, 0.0001289000000000 ] - [ -0.0105981400000000, -0.0020789900000000, -0.0078178100000000 ] - [ -0.0045918700000000, -0.0009508100000000, 0.0011366600000000 ] - [ 0.0010566100000000, 0.0016039500000000, 0.0001756800000000 ] - [ -0.0001247500000000, 0.0012408100000000, -0.0001237700000000 ] - [ 0.0014402700000000, 0.0025534100000000, 0.0022985400000000 ] - [ 0.0030074600000000, 0.0023930500000000, -0.0021092700000000 ] - [ -0.0001480100000000, 0.0013082700000000, 0.0000665900000000 ] - [ -0.0009878000000000, 0.0045551100000000, 0.0008687500000000 ] - [ -0.0000886000000000, -0.0015748600000000, -0.0000228500000000 ] - [ 0.0012069700000000, -0.0009813200000000, 0.0009722500000000 ] - [ -0.0012401100000000, 0.0008119700000000, 0.0008700200000000 ] - [ -0.0008482600000000, 0.0027100100000000, 0.0005829500000000 ] - [ -0.0004435200000000, 0.0051561000000000, 0.0029147400000000 ] - [ -0.0014590100000000, 0.0014989600000000, -0.0009307800000000 ] - [ 0.0010376900000000, 0.0029537900000000, -0.0007969900000000 ] - [ 0.0007326900000000, 0.0050265000000000, 0.0034971700000000 ] - [ 0.0003576400000000, -0.0011389100000000, -0.0002794400000000 ] - [ 0.0026686600000000, 0.0073222900000000, -0.0054042600000000 ] - [ -0.0020717700000000, 0.0009974600000000, -0.0003649000000000 ] - [ 0.0005029600000000, 0.0030435700000000, -0.0010061800000000 ] - [ -0.0002043500000000, 0.0065338600000000, -0.0015809500000000 ] - [ 0.0004438100000000, 0.0046924800000000, 0.0013130700000000 ] - [ -0.0001803300000000, 0.0035670700000000, 0.0012342400000000 ] - [ 0.0122693600000000, -0.1225053800000000, 0.0544208400000000 ] - [ 0.0006672600000000, 0.0014291300000000, -0.0016831200000000 ] - [ -0.0000235200000000, 0.0019986500000000, 0.0014969300000000 ] - [ -0.0020316600000000, -0.0103190400000000, -0.0043110100000000 ] - [ 0.0000550800000000, -0.0015269700000000, 0.0020370800000000 ] - [ 0.0002464800000000, 0.0033125300000000, -0.0004798200000000 ] - [ -0.0002147200000000, 0.0029877200000000, 0.0004911600000000 ] - [ 0.0009626400000000, -0.0014042100000000, -0.0029083200000000 ] - [ -0.0114458400000000, -0.0312809500000000, -0.0410079200000000 ] - [ 0.0004011600000000, 0.0018857700000000, 0.0006686900000000 ] - [ -0.0005390400000000, 0.0036759800000000, -0.0016414900000000 ] - [ 0.0014974800000000, -0.0106029000000000, 0.0086442800000000 ] - [ -0.0001084600000000, -0.0015607400000000, -0.0034038500000000 ] - [ 0.0002246100000000, 0.0025107700000000, 0.0015956900000000 ] - [ -0.0001654600000000, 0.0021086400000000, -0.0013876900000000 ] - [ 0.0002240300000000, -0.0013558800000000, 0.0060010000000000 ] - [ 0.0004083700000000, 0.0015993100000000, -0.0001238600000000 ] - [ -0.0706889000000000, -0.0545199500000000, 0.0009247100000000 ] - [ 0.0000324900000000, 0.0017531800000000, 0.0000590200000000 ] - [ 0.0002169900000000, -0.0027044700000000, -0.0000405900000000 ] - [ -0.0019236200000000, -0.0059928200000000, -0.0015884300000000 ] - [ 0.0021378500000000, 0.0026789500000000, 0.0030582800000000 ] - [ -0.0039725200000000, -0.0004241300000000, 0.0424809100000000 ] - [ -0.0010015700000000, -0.0028926700000000, 0.0013954200000000 ] - [ 0.0008555600000000, -0.0049676600000000, -0.0003111400000000 ] - [ -0.0041833900000000, -0.0104251400000000, 0.0073496200000000 ] - [ -0.0018763700000000, -0.0036851000000000, -0.0038337500000000 ] - [ -0.0006154300000000, -0.0055656600000000, 0.0001660700000000 ] - [ -0.0004278700000000, -0.0094931100000000, -0.0001157100000000 ] - [ 0.0106408100000000, 0.0061659500000000, -0.0041580100000000 ] - [ 0.0008682700000000, -0.0071655800000000, -0.0190744200000000 ] - [ -0.0006974000000000, -0.0009978700000000, -0.0014737300000000 ] - [ 0.0009813100000000, -0.0054918400000000, -0.0009506900000000 ] - [ -0.0009285600000000, -0.0075128800000000, -0.0090289100000000 ] - [ -0.0015342400000000, -0.0018368800000000, 0.0051086500000000 ] - [ -0.0009665900000000, -0.0063615800000000, 0.0014866700000000 ] - [ -0.0216851500000000, 0.3328625100000000, 0.0436475100000000 ] - [ -0.0003534000000000, -0.0041136200000000, -0.0002197100000000 ] - [ -0.0001884300000000, -0.0051613000000000, 0.0015697200000000 ] - [ -0.0062307300000000, 0.0243275400000000, -0.0025033600000000 ] - [ -0.0014841800000000, 0.0059539500000000, 0.0013560000000000 ] - [ -0.0014721400000000, -0.0051516600000000, -0.0006121900000000 ] - [ 0.0012317300000000, -0.0047057900000000, 0.0002413700000000 ] - [ 0.0018849300000000, 0.0088733300000000, -0.0020167200000000 ] - [ -0.0043577500000000, 0.0090953600000000, 0.0029108800000000 ] - [ 0.0019426400000000, -0.0072897400000000, -0.0010501100000000 ] - [ 0.0245742800000000, -0.0234566600000000, 0.0013742000000000 ] - [ 0.0000362300000000, -0.0053135600000000, 0.0000647500000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003898900000000, 0.0005417800000000, 0.0024516800000000 ] - [ 0.0024005800000000, -0.0020021700000000, -0.0061814500000000 ] - [ -0.0003242700000000, 0.0007764700000000, -0.0008465800000000 ] - [ -0.0000951600000000, -0.0002337100000000, 0.0005815700000000 ] - [ 0.0000350600000000, -0.0000802000000000, 0.0000418500000000 ] - [ -0.0045184700000000, 0.0026363300000000, 0.0043898000000000 ] - [ 0.0071463100000000, -0.0062407800000000, 0.0037669000000000 ] - [ -0.0001510400000000, 0.0004801100000000, 0.0001165200000000 ] - [ 0.0004387700000000, 0.0007005600000000, -0.0001679400000000 ] - [ 0.0009772100000000, -0.0006703100000000, -0.0021624000000000 ] - [ -0.0006310900000000, 0.0018269100000000, -0.0080098700000000 ] - [ -0.0000610300000000, -0.0000591700000000, 0.0013944500000000 ] - [ -0.0005027600000000, -0.0006894500000000, 0.0004327600000000 ] - [ -0.0560617100000000, 0.0529738600000000, 0.0653171500000000 ] - [ 0.0027821900000000, 0.0044338200000000, 0.0076052800000000 ] - [ 0.0005997300000000, -0.0010929100000000, -0.0013769500000000 ] - [ 0.0005197400000000, -0.0021870100000000, 0.0016191300000000 ] - [ -0.0015826600000000, 0.0008161300000000, -0.0033152300000000 ] - [ 0.0068744500000000, -0.0007120200000000, -0.0141363600000000 ] - [ 0.0005756500000000, 0.0009239100000000, 0.0004935400000000 ] - [ 0.0005377600000000, -0.0005357000000000, -0.0000875500000000 ] - [ -0.0040478900000000, 0.0059180900000000, 0.0061033400000000 ] - [ 0.0036400000000000, -0.0022191000000000, -0.0016145400000000 ] - [ -0.0007470300000000, -0.0007281500000000, -0.0004163800000000 ] - [ 0.0006135400000000, 0.0012948300000000, 0.0005243000000000 ] - [ -0.0054551600000000, 0.0016907500000000, -0.0057147400000000 ] - [ 0.0107187000000000, -0.0043787300000000, -0.0052219400000000 ] - [ -0.0015145600000000, -0.0011853800000000, 0.0000615600000000 ] - [ -0.0000530000000000, -0.0006457500000000, -0.0004310500000000 ] - [ -0.0010210000000000, -0.0010354100000000, -0.0000310200000000 ] - [ 0.0014318400000000, 0.0013802300000000, -0.0001048900000000 ] - [ 0.0000518600000000, -0.0002307800000000, 0.0001758500000000 ] - [ -0.0006671000000000, 0.0026618800000000, 0.0022746500000000 ] - [ -0.0005135600000000, 0.0010674300000000, -0.0038835900000000 ] - [ -0.0050294400000000, -0.0004872300000000, -0.0129893000000000 ] - [ -0.0010645900000000, -0.0014327800000000, 0.0021523000000000 ] - [ -0.0002881100000000, 0.0002066200000000, -0.0003574400000000 ] - [ -0.0006811300000000, -0.0061960400000000, 0.0003767800000000 ] - [ 0.0001157300000000, -0.0000961700000000, 0.0017866400000000 ] - [ 0.0006012100000000, 0.0006014800000000, -0.0005642400000000 ] - [ 0.0004711200000000, -0.0149591900000000, 0.0003079700000000 ] - [ 0.0006750900000000, -0.0033901500000000, 0.0004842700000000 ] - [ 0.0015417900000000, 0.0053275000000000, -0.0035147100000000 ] - [ -0.0017338900000000, 0.0028733600000000, 0.0001068600000000 ] - [ 0.0001084600000000, -0.0000491800000000, -0.0000303800000000 ] - [ -0.0001200400000000, 0.0020825600000000, -0.0001994000000000 ] - [ -0.0000075500000000, -0.0011425700000000, -0.0002203100000000 ] - [ 0.0001224800000000, -0.0019305700000000, -0.0008205200000000 ] - [ 0.0040903100000000, -0.0549920900000000, 0.0536309300000000 ] - [ 0.0001358600000000, 0.0002676900000000, -0.0018628600000000 ] - [ -0.0004185300000000, -0.0027210400000000, -0.0023432500000000 ] - [ 0.0013997900000000, 0.0024658500000000, 0.0051418300000000 ] - [ 0.0001257300000000, -0.0001542300000000, -0.0023644500000000 ] - [ -0.0001509800000000, -0.0002512100000000, 0.0008416800000000 ] - [ 0.0002107500000000, 0.0003698800000000, -0.0000780600000000 ] - [ 0.0003896800000000, -0.0001425800000000, -0.0009924400000000 ] - [ 0.0461788000000000, 0.0372719400000000, 0.1359668300000000 ] - [ 0.0000199900000000, -0.0007531400000000, -0.0013713300000000 ] - [ -0.0002061500000000, 0.0016251600000000, -0.0012729400000000 ] - [ 0.0015168900000000, -0.0012701700000000, 0.0028120600000000 ] - [ -0.0004463300000000, 0.0008654700000000, -0.0011085600000000 ] - [ -0.0001761700000000, -0.0003534500000000, 0.0005621300000000 ] - [ 0.0001947900000000, -0.0007995400000000, 0.0001624700000000 ] - [ 0.0001074400000000, -0.0000417800000000, -0.0042306900000000 ] - [ -0.0001929700000000, -0.0003094900000000, -0.0006115500000000 ] - [ -0.0003962200000000, -0.0002707800000000, 0.0163339100000000 ] - [ 0.0001074900000000, -0.0002004700000000, 0.0003625300000000 ] - [ 0.0005020100000000, 0.0005820800000000, -0.0024882400000000 ] - [ 0.0021895700000000, 0.0087408200000000, 0.0009699600000000 ] - [ -0.0072314900000000, 0.0023153800000000, -0.0024349300000000 ] - [ -0.0010797000000000, -0.0203434000000000, 0.0396998400000000 ] - [ 0.0003719800000000, -0.0020464000000000, 0.0009076400000000 ] - [ 0.0006065100000000, -0.0004988900000000, -0.0000124200000000 ] - [ -0.0011728800000000, -0.0048061700000000, 0.0015792200000000 ] - [ -0.0003868600000000, 0.0028983000000000, 0.0015314800000000 ] - [ -0.0007237200000000, 0.0010228100000000, -0.0000830500000000 ] - [ -0.0002156600000000, -0.0056205200000000, -0.0005811000000000 ] - [ 0.0068050700000000, -0.0026117000000000, 0.0022271300000000 ] - [ -0.0074862900000000, 0.0327423200000000, 0.0394589400000000 ] - [ 0.0017611700000000, 0.0036063400000000, -0.0011209100000000 ] - [ -0.0000610000000000, 0.0007670400000000, 0.0005789500000000 ] - [ 0.0014130500000000, 0.0062522000000000, 0.0038012400000000 ] - [ -0.0013463700000000, -0.0003547900000000, -0.0003399200000000 ] - [ -0.0003491900000000, -0.0009088600000000, 0.0005157600000000 ] - [ 0.0107020200000000, -0.0445588400000000, -0.3156370400000000 ] - [ 0.0005308400000000, -0.0000386900000000, 0.0017410600000000 ] - [ -0.0011764500000000, 0.0013144700000000, 0.0028381300000000 ] - [ -0.0025629100000000, -0.0022643800000000, -0.0084147400000000 ] - [ -0.0007248400000000, -0.0016101500000000, 0.0035231400000000 ] - [ -0.0004873200000000, 0.0008790300000000, -0.0009622600000000 ] - [ 0.0005028800000000, 0.0005054000000000, -0.0010484900000000 ] - [ -0.0001239600000000, -0.0022599800000000, 0.0085096200000000 ] - [ -0.0006283800000000, -0.0026537200000000, 0.0178441100000000 ] - [ 0.0004510600000000, -0.0007900100000000, -0.0040476400000000 ] - [ -0.0089312100000000, 0.0114527900000000, -0.0192457700000000 ] - [ -0.0001350100000000, 0.0010775100000000, 0.0009456800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003848800000000, -0.0011256400000000, -0.0024560100000000 ] - [ -0.0024060800000000, 0.0026042200000000, 0.0061891000000000 ] - [ 0.0003245600000000, -0.0001932000000000, 0.0008500300000000 ] - [ 0.0000971700000000, -0.0003442200000000, -0.0005856900000000 ] - [ -0.0000345500000000, 0.0000831100000000, -0.0000444000000000 ] - [ 0.0044595600000000, -0.0026100100000000, -0.0043858200000000 ] - [ -0.0072082200000000, 0.0062552800000000, -0.0037896300000000 ] - [ 0.0001510400000000, -0.0004781600000000, -0.0001175600000000 ] - [ 0.0003276500000000, 0.0003017700000000, -0.0015377200000000 ] - [ -0.0002049300000000, -0.0003345900000000, 0.0038675100000000 ] - [ -0.0001246100000000, -0.0028366800000000, 0.0063271600000000 ] - [ -0.0007056300000000, 0.0010627600000000, 0.0003083300000000 ] - [ -0.0002655100000000, -0.0003204900000000, 0.0012693900000000 ] - [ 0.0538453500000000, -0.0504417700000000, -0.0670028900000000 ] - [ -0.0019626400000000, -0.0034060400000000, -0.0059483300000000 ] - [ 0.0001684100000000, 0.0000832700000000, -0.0003284800000000 ] - [ -0.0015766900000000, 0.0028731600000000, -0.0017262200000000 ] - [ 0.0005175000000000, -0.0015048400000000, 0.0034120400000000 ] - [ -0.0057776400000000, 0.0000709400000000, 0.0139518400000000 ] - [ 0.0004875100000000, -0.0002300000000000, -0.0003877300000000 ] - [ 0.0005215800000000, -0.0001587900000000, 0.0001908900000000 ] - [ 0.0051478900000000, -0.0053030400000000, -0.0062554400000000 ] - [ -0.0047366200000000, 0.0029396900000000, 0.0017518200000000 ] - [ -0.0003172200000000, 0.0000272800000000, 0.0003069600000000 ] - [ -0.0003635300000000, -0.0007390300000000, 0.0000280400000000 ] - [ 0.0057024300000000, -0.0022130100000000, 0.0051911200000000 ] - [ -0.0109733300000000, 0.0038515900000000, 0.0057793500000000 ] - [ 0.0012589300000000, 0.0017423300000000, -0.0006147800000000 ] - [ -0.0001918900000000, 0.0000848900000000, -0.0001238500000000 ] - [ 0.0007606000000000, 0.0015940700000000, 0.0005927700000000 ] - [ -0.0011996400000000, -0.0008265900000000, -0.0004567700000000 ] - [ 0.0002061900000000, -0.0003319500000000, 0.0003758000000000 ] - [ 0.0016007300000000, -0.0038970100000000, -0.0025355800000000 ] - [ 0.0014567400000000, 0.0001680100000000, 0.0041463200000000 ] - [ 0.0040769100000000, 0.0016926200000000, 0.0126253000000000 ] - [ 0.0001367400000000, 0.0002045200000000, -0.0019025600000000 ] - [ -0.0006419100000000, 0.0010153800000000, 0.0006121600000000 ] - [ -0.0002398400000000, 0.0050156300000000, -0.0006281600000000 ] - [ 0.0008232900000000, -0.0011314200000000, -0.0015418300000000 ] - [ 0.0003275500000000, 0.0006158000000000, 0.0003107700000000 ] - [ -0.0002599200000000, 0.0158832500000000, -0.0005411900000000 ] - [ -0.0004892400000000, 0.0025097800000000, -0.0002430900000000 ] - [ -0.0017575100000000, -0.0062384300000000, 0.0033078100000000 ] - [ 0.0015442000000000, -0.0019878400000000, 0.0001506300000000 ] - [ -0.0003039000000000, -0.0008490800000000, 0.0002777700000000 ] - [ -0.0000709700000000, -0.0012151200000000, -0.0000536200000000 ] - [ 0.0001968000000000, 0.0020333100000000, 0.0004737200000000 ] - [ 0.0000706200000000, 0.0010362800000000, 0.0005733200000000 ] - [ -0.0035449400000000, 0.0536556000000000, -0.0521808900000000 ] - [ 0.0001330700000000, -0.0011769600000000, 0.0011431700000000 ] - [ 0.0001476500000000, 0.0018165700000000, 0.0030609600000000 ] - [ -0.0016607000000000, -0.0015954000000000, -0.0059313700000000 ] - [ -0.0004002800000000, -0.0007622300000000, 0.0016554300000000 ] - [ -0.0001200500000000, 0.0011501900000000, -0.0001136500000000 ] - [ 0.0000611700000000, 0.0005298600000000, -0.0006444600000000 ] - [ -0.0001203000000000, -0.0007641500000000, 0.0017226000000000 ] - [ -0.0492083300000000, -0.0411572500000000, -0.1435098900000000 ] - [ 0.0002825700000000, 0.0014356000000000, 0.0008476000000000 ] - [ -0.0000949400000000, -0.0009454700000000, 0.0017902700000000 ] - [ -0.0017974700000000, 0.0005680200000000, -0.0032866600000000 ] - [ 0.0001422700000000, -0.0001893600000000, 0.0005784900000000 ] - [ -0.0001280700000000, -0.0003395700000000, -0.0000534000000000 ] - [ 0.0001098000000000, 0.0001116000000000, -0.0006790700000000 ] - [ 0.0001944500000000, 0.0007052000000000, 0.0047387400000000 ] - [ 0.0001882500000000, 0.0002828700000000, 0.0006096000000000 ] - [ -0.0007421400000000, -0.0001411200000000, -0.0162999100000000 ] - [ -0.0001111600000000, 0.0002256200000000, -0.0003639800000000 ] - [ -0.0004956000000000, -0.0006161700000000, 0.0024884000000000 ] - [ -0.0034092300000000, -0.0078936100000000, -0.0012294200000000 ] - [ 0.0060742400000000, -0.0031944500000000, 0.0027412100000000 ] - [ 0.0023301700000000, 0.0191151200000000, -0.0398385100000000 ] - [ 0.0008404200000000, 0.0029122500000000, -0.0006557500000000 ] - [ 0.0006037800000000, -0.0003559000000000, 0.0002726100000000 ] - [ 0.0024145400000000, 0.0057131200000000, -0.0018409800000000 ] - [ -0.0008102700000000, -0.0020530700000000, -0.0012876800000000 ] - [ -0.0004904400000000, -0.0018806400000000, -0.0001799700000000 ] - [ -0.0002817300000000, 0.0066707800000000, 0.0005821600000000 ] - [ -0.0072889300000000, 0.0015816700000000, -0.0022835700000000 ] - [ 0.0077911500000000, -0.0339198400000000, -0.0397195500000000 ] - [ -0.0012630900000000, -0.0025805100000000, 0.0011178700000000 ] - [ 0.0005605800000000, -0.0017882600000000, -0.0005925700000000 ] - [ -0.0009212000000000, -0.0052070500000000, -0.0038366200000000 ] - [ 0.0008528600000000, 0.0013879000000000, 0.0003343200000000 ] - [ -0.0001486400000000, -0.0001020000000000, -0.0005127100000000 ] - [ -0.0037552900000000, 0.0495994700000000, 0.3235675500000000 ] - [ 0.0006246300000000, -0.0001353600000000, -0.0020871600000000 ] - [ 0.0000231200000000, -0.0014885100000000, -0.0025006400000000 ] - [ 0.0013602600000000, 0.0024154900000000, 0.0080968400000000 ] - [ -0.0004219200000000, 0.0014483600000000, -0.0038623000000000 ] - [ -0.0006667200000000, -0.0006941300000000, 0.0013075300000000 ] - [ 0.0006502300000000, -0.0003186000000000, 0.0007045300000000 ] - [ 0.0012865600000000, 0.0021062300000000, -0.0081789300000000 ] - [ 0.0005828100000000, 0.0034818700000000, -0.0177809200000000 ] - [ -0.0004550300000000, -0.0000745800000000, 0.0040491000000000 ] - [ 0.0089328200000000, -0.0123759700000000, 0.0193265700000000 ] - [ 0.0001360100000000, -0.0001952400000000, -0.0009476000000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0090888300000000, -0.0002755300000000, -0.0033869300000000 ] - [ 0.0025845000000000, 0.0002917800000000, 0.0004504500000000 ] - [ -0.0005240400000000, 0.0002920900000000, 0.0000663400000000 ] - [ 0.0013845500000000, -0.0002908700000000, -0.0007019800000000 ] - [ 0.0003910200000000, 0.0000157600000000, -0.0000755700000000 ] - [ -0.0100021500000000, 0.0030648900000000, 0.0018383900000000 ] - [ -0.0100007600000000, -0.0030837300000000, 0.0018052200000000 ] - [ 0.0003902500000000, -0.0000151200000000, -0.0000758800000000 ] - [ 0.0002252500000000, 0.0006578200000000, -0.0009631700000000 ] - [ 0.0295024000000000, -0.0165160900000000, 0.0164398000000000 ] - [ 0.0295040000000000, 0.0167618000000000, 0.0154056000000000 ] - [ -0.0005360300000000, 0.0003547200000000, 0.0007449900000000 ] - [ -0.0008605900000000, -0.0010972500000000, 0.0009207800000000 ] - [ 0.0019062100000000, -0.0025330100000000, 0.0006345600000000 ] - [ 0.0026665900000000, 0.0035395800000000, 0.0023479200000000 ] - [ -0.0001019200000000, 0.0000849800000000, -0.0007926800000000 ] - [ -0.0011568200000000, 0.0012878900000000, -0.0006008600000000 ] - [ 0.0302748100000000, -0.0059051500000000, -0.0232294500000000 ] - [ 0.0321783100000000, 0.0052276300000000, -0.0248537300000000 ] - [ -0.0000826300000000, -0.0005817700000000, -0.0004936400000000 ] - [ 0.0003283300000000, -0.0002540700000000, 0.0000216000000000 ] - [ 0.0020626400000000, -0.0007877400000000, -0.0026726800000000 ] - [ 0.0009991100000000, 0.0014863100000000, -0.0025724700000000 ] - [ -0.0007373500000000, -0.0004455100000000, -0.0000804700000000 ] - [ 0.0025951900000000, 0.0004468000000000, 0.0004388000000000 ] - [ -0.0173625800000000, 0.0011495900000000, -0.0011104600000000 ] - [ -0.0176091000000000, -0.0016767500000000, -0.0005959200000000 ] - [ 0.0023393600000000, 0.0001076600000000, -0.0001332400000000 ] - [ 0.0003322000000000, -0.0002395500000000, -0.0002517300000000 ] - [ -0.0027779700000000, 0.0000684100000000, -0.0000089700000000 ] - [ -0.0025148200000000, 0.0004838600000000, -0.0005762300000000 ] - [ 0.0006000400000000, -0.0003125800000000, 0.0003179100000000 ] - [ -0.0007774400000000, 0.0004046700000000, 0.0004177100000000 ] - [ 0.0290539300000000, 0.0203755200000000, 0.0063655200000000 ] - [ 0.0287892000000000, -0.0202643800000000, 0.0067972400000000 ] - [ -0.0016913300000000, -0.0016358200000000, 0.0006521100000000 ] - [ -0.0007693400000000, 0.0010195300000000, 0.0002797300000000 ] - [ 0.0003761800000000, -0.0014493500000000, 0.0003767300000000 ] - [ 0.0012938200000000, 0.0002163700000000, 0.0006153000000000 ] - [ 0.0001438600000000, 0.0002179200000000, 0.0000477500000000 ] - [ -0.0033143800000000, 0.0051274700000000, -0.0045443000000000 ] - [ 0.0006853700000000, -0.0087781800000000, 0.0026511300000000 ] - [ 0.0004962200000000, 0.0079023700000000, 0.0024061600000000 ] - [ -0.0035229500000000, -0.0042556400000000, -0.0043107500000000 ] - [ -0.0004334500000000, 0.0008834700000000, 0.0002932200000000 ] - [ 0.0001334500000000, -0.0005614700000000, -0.0004775900000000 ] - [ 0.0003259000000000, 0.0014638700000000, -0.0002091600000000 ] - [ -0.0002402900000000, -0.0017819400000000, 0.0000285100000000 ] - [ -0.0048463900000000, 0.0018342600000000, 0.0056824100000000 ] - [ 0.0004405500000000, -0.0030954400000000, 0.0000914200000000 ] - [ 0.0001619000000000, 0.0021799100000000, 0.0008315600000000 ] - [ -0.0051444500000000, -0.0009346400000000, 0.0049831400000000 ] - [ -0.0046520200000000, 0.0055440800000000, -0.0024648000000000 ] - [ -0.0000084200000000, 0.0003187700000000, 0.0004048300000000 ] - [ 0.0002721900000000, 0.0005917100000000, -0.0003294300000000 ] - [ -0.0043534400000000, -0.0064291000000000, -0.0017369500000000 ] - [ -0.0011255100000000, -0.0027517200000000, -0.0062177400000000 ] - [ 0.0000128000000000, -0.0009935500000000, -0.0003587000000000 ] - [ -0.0003060000000000, 0.0016877300000000, 0.0001451600000000 ] - [ -0.0014378800000000, 0.0020751800000000, -0.0067159100000000 ] - [ -0.0014985100000000, 0.0061238500000000, 0.0057644000000000 ] - [ -0.0001464700000000, -0.0004678200000000, 0.0001658100000000 ] - [ 0.0001716700000000, -0.0002283600000000, -0.0003281600000000 ] - [ -0.0011834700000000, -0.0054552000000000, 0.0062850400000000 ] - [ 0.0013518800000000, -0.0000097400000000, 0.0002643700000000 ] - [ -0.0048271400000000, 0.0000104600000000, -0.0001015300000000 ] - [ 0.0002711700000000, 0.0000127200000000, -0.0000280000000000 ] - [ -0.0173692700000000, -0.0000366600000000, 0.0013117000000000 ] - [ -0.0027079700000000, -0.0050279100000000, 0.0015224800000000 ] - [ 0.0257552500000000, 0.0201876300000000, -0.0165127300000000 ] - [ 0.0270017100000000, -0.0210904300000000, -0.0170060000000000 ] - [ -0.0014995700000000, 0.0059004900000000, 0.0017876200000000 ] - [ -0.0000031700000000, -0.0010555200000000, 0.0000916200000000 ] - [ 0.0023763400000000, 0.0031335900000000, 0.0046917500000000 ] - [ 0.0011636000000000, -0.0022818000000000, 0.0049653600000000 ] - [ -0.0012180100000000, 0.0002004100000000, -0.0001723500000000 ] - [ -0.0012411700000000, -0.0034520300000000, -0.0026951800000000 ] - [ 0.0264930200000000, 0.0041355100000000, 0.0251015400000000 ] - [ 0.0270086100000000, -0.0053315300000000, 0.0252815000000000 ] - [ -0.0007439700000000, 0.0044563000000000, -0.0026926700000000 ] - [ -0.0000570000000000, -0.0013625900000000, -0.0002139200000000 ] - [ 0.0031450800000000, 0.0037967400000000, -0.0027425600000000 ] - [ 0.0026395400000000, -0.0027584600000000, -0.0027392300000000 ] - [ -0.0005554400000000, 0.0003439400000000, -0.0002061500000000 ] - [ 0.0047263500000000, 0.0044429100000000, -0.0004264000000000 ] - [ -0.0000688800000000, 0.0018527500000000, -0.0006255400000000 ] - [ -0.0012311800000000, -0.0020301600000000, -0.0002780100000000 ] - [ 0.0035605700000000, -0.0042684400000000, -0.0007847800000000 ] - [ 0.0260831600000000, -0.0246981800000000, -0.0091331100000000 ] - [ -0.0008554600000000, 0.0001220300000000, 0.0003062000000000 ] - [ 0.0003088800000000, 0.0000553000000000, -0.0000376700000000 ] - [ 0.0272730400000000, 0.0247526500000000, -0.0087338700000000 ] - [ -0.2369256100000000, 0.0002455700000000, 0.0031514100000000 ] - [ 0.0022427700000000, -0.0004391700000000, 0.0006020700000000 ] - [ -0.0071225300000000, -0.0004370800000000, 0.0005752600000000 ] - [ 0.0012109600000000, 0.0004397400000000, -0.0003708200000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0170011400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008286300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021213200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0029026200000000, 0.0000000000000000 ] - [ 0.0001524900000000, 0.0020248300000000, -0.0000538600000000 ] - [ 0.0029024300000000, -0.0030777100000000, -0.0129387200000000 ] - [ -0.0029024300000000, -0.0030777100000000, 0.0129387200000000 ] - [ -0.0001524900000000, 0.0020248300000000, 0.0000538600000000 ] - [ -0.0009602700000000, -0.0031204900000000, -0.0009140300000000 ] - [ -0.0215527400000000, 0.0471509700000000, -0.0192195800000000 ] - [ 0.0215527400000000, 0.0471509700000000, 0.0192195800000000 ] - [ 0.0009602700000000, -0.0031204900000000, 0.0009140300000000 ] - [ -0.0020435700000000, -0.0048016500000000, 0.0008383400000000 ] - [ -0.0030412600000000, 0.0067228100000000, 0.0004874800000000 ] - [ 0.0030412600000000, 0.0067228100000000, -0.0004874800000000 ] - [ 0.0020435700000000, -0.0048016500000000, -0.0008383400000000 ] - [ 0.0005329400000000, -0.0026906800000000, 0.0009705000000000 ] - [ -0.0005874400000000, 0.0251854600000000, 0.0040935300000000 ] - [ 0.0005874400000000, 0.0251854600000000, -0.0040935300000000 ] - [ -0.0005329400000000, -0.0026906800000000, -0.0009705000000000 ] - [ 0.0013424900000000, -0.0035783300000000, 0.0006384900000000 ] - [ 0.0019456300000000, 0.0013391200000000, -0.0052725700000000 ] - [ -0.0019456300000000, 0.0013391200000000, 0.0052725700000000 ] - [ -0.0013424900000000, -0.0035783300000000, -0.0006384900000000 ] - [ 0.0005127600000000, -0.0013974400000000, -0.0001301200000000 ] - [ -0.0100568000000000, 0.0044543200000000, -0.0033403800000000 ] - [ 0.0100568000000000, 0.0044543200000000, 0.0033403800000000 ] - [ -0.0005127600000000, -0.0013974400000000, 0.0001301200000000 ] - [ -0.0001144800000000, -0.0022534500000000, -0.0002355700000000 ] - [ -0.0007179400000000, -0.0005934100000000, 0.0021162000000000 ] - [ 0.0007179400000000, -0.0005934100000000, -0.0021162000000000 ] - [ 0.0001144800000000, -0.0022534500000000, 0.0002355700000000 ] - [ 0.0009134200000000, -0.0026972300000000, -0.0007574500000000 ] - [ 0.0186537300000000, 0.0554423500000000, 0.0096272700000000 ] - [ -0.0186537300000000, 0.0554423500000000, -0.0096272700000000 ] - [ -0.0009134200000000, -0.0026972300000000, 0.0007574500000000 ] - [ 0.0000349000000000, -0.0028002000000000, -0.0003295500000000 ] - [ -0.0002522600000000, -0.0012878900000000, 0.0009374700000000 ] - [ 0.0002522600000000, -0.0012878900000000, -0.0009374700000000 ] - [ -0.0000349000000000, -0.0028002000000000, 0.0003295500000000 ] - [ 0.0032150700000000, -0.0042276600000000, 0.0060886600000000 ] - [ -0.0022153500000000, -0.0005005900000000, 0.0040614700000000 ] - [ 0.0022153500000000, -0.0005005900000000, -0.0040614700000000 ] - [ -0.0032150700000000, -0.0042276600000000, -0.0060886600000000 ] - [ -0.0006857400000000, -0.0061518900000000, -0.0000995900000000 ] - [ 0.0006228300000000, -0.0041122300000000, -0.0004021500000000 ] - [ -0.0006228300000000, -0.0041122300000000, 0.0004021500000000 ] - [ 0.0006857400000000, -0.0061518900000000, 0.0000995900000000 ] - [ -0.0016756500000000, 0.0045822500000000, -0.0005081700000000 ] - [ -0.0007332600000000, -0.0051581600000000, 0.0003561000000000 ] - [ 0.0007332600000000, -0.0051581600000000, -0.0003561000000000 ] - [ 0.0016756500000000, 0.0045822500000000, 0.0005081700000000 ] - [ 0.0019958500000000, -0.0084888200000000, 0.0041634500000000 ] - [ -0.0004453600000000, -0.0025373100000000, 0.0016674400000000 ] - [ 0.0004453600000000, -0.0025373100000000, -0.0016674400000000 ] - [ -0.0019958500000000, -0.0084888200000000, -0.0041634500000000 ] - [ 0.0008498400000000, 0.0092943100000000, 0.0079363700000000 ] - [ -0.0001881100000000, -0.0022317200000000, -0.0011098600000000 ] - [ 0.0001881100000000, -0.0022317200000000, 0.0011098600000000 ] - [ -0.0008498400000000, 0.0092943100000000, -0.0079363700000000 ] - [ 0.0025771400000000, -0.0058094100000000, -0.0097915800000000 ] - [ -0.0005405400000000, -0.0033396400000000, -0.0012370700000000 ] - [ 0.0005405400000000, -0.0033396400000000, 0.0012370700000000 ] - [ -0.0025771400000000, -0.0058094100000000, 0.0097915800000000 ] - [ 0.0000000000000000, -0.0024148600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031041900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020105400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012572300000000, 0.0000000000000000 ] - [ -0.0004894100000000, 0.0080862800000000, -0.0016340200000000 ] - [ 0.0029653900000000, -0.0085615000000000, -0.0137011800000000 ] - [ -0.0029653900000000, -0.0085615000000000, 0.0137011800000000 ] - [ 0.0004894100000000, 0.0080862800000000, 0.0016340200000000 ] - [ 0.0008690800000000, 0.0059510400000000, 0.0012196100000000 ] - [ -0.0004680400000000, 0.0050145400000000, 0.0075735600000000 ] - [ 0.0004680400000000, 0.0050145400000000, -0.0075735600000000 ] - [ -0.0008690800000000, 0.0059510400000000, -0.0012196100000000 ] - [ -0.0012736700000000, 0.0057008000000000, 0.0011752500000000 ] - [ 0.0185247100000000, -0.0174598100000000, 0.0238921300000000 ] - [ -0.0185247100000000, -0.0174598100000000, -0.0238921300000000 ] - [ 0.0012736700000000, 0.0057008000000000, -0.0011752500000000 ] - [ -0.0004347000000000, 0.0060325300000000, 0.0002570700000000 ] - [ 0.0014042700000000, 0.0070696400000000, -0.0051419400000000 ] - [ -0.0014042700000000, 0.0070696400000000, 0.0051419400000000 ] - [ 0.0004347000000000, 0.0060325300000000, -0.0002570700000000 ] - [ 0.0012386600000000, -0.0086031200000000, -0.0028885800000000 ] - [ 0.0019228600000000, 0.0067726200000000, -0.0005281600000000 ] - [ -0.0019228600000000, 0.0067726200000000, 0.0005281600000000 ] - [ -0.0012386600000000, -0.0086031200000000, 0.0028885800000000 ] - [ -0.0226725000000000, 0.0230042000000000, 0.0117101200000000 ] - [ 0.0002777500000000, 0.0058480700000000, 0.0008093500000000 ] - [ -0.0002777500000000, 0.0058480700000000, -0.0008093500000000 ] - [ 0.0226725000000000, 0.0230042000000000, -0.0117101200000000 ] - [ 0.0000000000000000, -0.2738669900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0061448400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0077148700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0084273800000000, 0.0000000000000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0178461200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014261300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015328800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0034874700000000, 0.0000000000000000 ] - [ -0.0001521900000000, -0.0020230300000000, 0.0000536200000000 ] - [ -0.0028984800000000, 0.0030345800000000, 0.0128579700000000 ] - [ 0.0028984800000000, 0.0030345800000000, -0.0128579700000000 ] - [ 0.0001521900000000, -0.0020230300000000, -0.0000536200000000 ] - [ 0.0017189300000000, 0.0041260800000000, -0.0007926800000000 ] - [ 0.0204777000000000, -0.0461640700000000, 0.0196131400000000 ] - [ -0.0204777000000000, -0.0461640700000000, -0.0196131400000000 ] - [ -0.0017189300000000, 0.0041260800000000, 0.0007926800000000 ] - [ 0.0012817800000000, 0.0037897900000000, 0.0008692400000000 ] - [ 0.0022744900000000, -0.0056913300000000, -0.0022003500000000 ] - [ -0.0022744900000000, -0.0056913300000000, 0.0022003500000000 ] - [ -0.0012817800000000, 0.0037897900000000, -0.0008692400000000 ] - [ -0.0016031400000000, 0.0033811400000000, -0.0010806700000000 ] - [ -0.0001671800000000, -0.0259077300000000, -0.0044324100000000 ] - [ 0.0001671800000000, -0.0259077300000000, 0.0044324100000000 ] - [ 0.0016031400000000, 0.0033811400000000, 0.0010806700000000 ] - [ -0.0002706100000000, 0.0028775300000000, -0.0005290300000000 ] - [ -0.0008806400000000, -0.0006395400000000, 0.0051571100000000 ] - [ 0.0008806400000000, -0.0006395400000000, -0.0051571100000000 ] - [ 0.0002706100000000, 0.0028775300000000, 0.0005290300000000 ] - [ -0.0002604000000000, 0.0019424500000000, 0.0006915500000000 ] - [ 0.0103453800000000, -0.0050077700000000, 0.0027957200000000 ] - [ -0.0103453800000000, -0.0050077700000000, -0.0027957200000000 ] - [ 0.0002604000000000, 0.0019424500000000, -0.0006915500000000 ] - [ -0.0001266600000000, 0.0017057700000000, -0.0003212900000000 ] - [ 0.0004552500000000, 0.0011397300000000, -0.0015556400000000 ] - [ -0.0004552500000000, 0.0011397300000000, 0.0015556400000000 ] - [ 0.0001266600000000, 0.0017057700000000, 0.0003212900000000 ] - [ 0.0000080600000000, 0.0014642600000000, 0.0005169900000000 ] - [ -0.0195746400000000, -0.0563356700000000, -0.0108064600000000 ] - [ 0.0195746400000000, -0.0563356700000000, 0.0108064600000000 ] - [ -0.0000080600000000, 0.0014642600000000, -0.0005169900000000 ] - [ -0.0009629000000000, 0.0040294800000000, 0.0005800500000000 ] - [ -0.0006672900000000, 0.0000603200000000, -0.0011751500000000 ] - [ 0.0006672900000000, 0.0000603200000000, 0.0011751500000000 ] - [ 0.0009629000000000, 0.0040294800000000, -0.0005800500000000 ] - [ -0.0030163900000000, 0.0050778800000000, -0.0063069800000000 ] - [ 0.0024360300000000, -0.0004003800000000, -0.0038402300000000 ] - [ -0.0024360300000000, -0.0004003800000000, 0.0038402300000000 ] - [ 0.0030163900000000, 0.0050778800000000, 0.0063069800000000 ] - [ 0.0004931300000000, 0.0052526000000000, 0.0003554500000000 ] - [ -0.0008193400000000, 0.0049997900000000, 0.0001536300000000 ] - [ 0.0008193400000000, 0.0049997900000000, -0.0001536300000000 ] - [ -0.0004931300000000, 0.0052526000000000, -0.0003554500000000 ] - [ 0.0019667800000000, -0.0036884100000000, 0.0012068700000000 ] - [ 0.0010185200000000, 0.0042543000000000, -0.0010753000000000 ] - [ -0.0010185200000000, 0.0042543000000000, 0.0010753000000000 ] - [ -0.0019667800000000, -0.0036884100000000, -0.0012068700000000 ] - [ -0.0022782700000000, 0.0076174000000000, -0.0048840400000000 ] - [ 0.0001680400000000, 0.0034427900000000, -0.0009342400000000 ] - [ -0.0001680400000000, 0.0034427900000000, 0.0009342400000000 ] - [ 0.0022782700000000, 0.0076174000000000, 0.0048840400000000 ] - [ -0.0005554700000000, -0.0099661200000000, -0.0074409500000000 ] - [ 0.0004980000000000, 0.0029146300000000, 0.0005948600000000 ] - [ -0.0004980000000000, 0.0029146300000000, -0.0005948600000000 ] - [ 0.0005554700000000, -0.0099661200000000, 0.0074409500000000 ] - [ -0.0028498400000000, 0.0064646400000000, 0.0092406000000000 ] - [ 0.0002313600000000, 0.0026565000000000, 0.0017523200000000 ] - [ -0.0002313600000000, 0.0026565000000000, -0.0017523200000000 ] - [ 0.0028498400000000, 0.0064646400000000, -0.0092406000000000 ] - [ 0.0000000000000000, 0.0023762000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030693500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0020407400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012292700000000, 0.0000000000000000 ] - [ -0.0007131300000000, -0.0071960700000000, 0.0013845600000000 ] - [ -0.0041847200000000, 0.0078379400000000, 0.0139855500000000 ] - [ 0.0041847200000000, 0.0078379400000000, -0.0139855500000000 ] - [ 0.0007131300000000, -0.0071960700000000, -0.0013845600000000 ] - [ 0.0003454500000000, -0.0068066600000000, -0.0009560200000000 ] - [ 0.0016799300000000, -0.0041555800000000, -0.0078404200000000 ] - [ -0.0016799300000000, -0.0041555800000000, 0.0078404200000000 ] - [ -0.0003454500000000, -0.0068066600000000, 0.0009560200000000 ] - [ 0.0007735000000000, -0.0046903000000000, -0.0011775100000000 ] - [ -0.0190579800000000, 0.0164186500000000, -0.0239021500000000 ] - [ 0.0190579800000000, 0.0164186500000000, 0.0239021500000000 ] - [ -0.0007735000000000, -0.0046903000000000, 0.0011775100000000 ] - [ 0.0009284900000000, -0.0070557500000000, -0.0002650800000000 ] - [ -0.0008981800000000, -0.0060156000000000, 0.0051154000000000 ] - [ 0.0008981800000000, -0.0060156000000000, -0.0051154000000000 ] - [ -0.0009284900000000, -0.0070557500000000, 0.0002650800000000 ] - [ -0.0000698800000000, 0.0087533300000000, 0.0032483300000000 ] - [ -0.0007647800000000, -0.0069481800000000, 0.0001891500000000 ] - [ 0.0007647800000000, -0.0069481800000000, -0.0001891500000000 ] - [ 0.0000698800000000, 0.0087533300000000, -0.0032483300000000 ] - [ 0.0212637700000000, -0.0230461700000000, -0.0121181900000000 ] - [ -0.0014319100000000, -0.0056679600000000, -0.0004656100000000 ] - [ 0.0014319100000000, -0.0056679600000000, 0.0004656100000000 ] - [ -0.0212637700000000, -0.0230461700000000, 0.0121181900000000 ] - [ 0.0000000000000000, 0.2749387400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0070082200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0068165100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0075541600000000, 0.0000000000000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0032629100000000, -0.0002713400000000, -0.0090969600000000 ] - [ -0.0008218500000000, 0.0002901600000000, 0.0035437000000000 ] - [ -0.0000767100000000, 0.0002922900000000, 0.0004707500000000 ] - [ 0.0007824400000000, -0.0002933400000000, -0.0010149400000000 ] - [ -0.0000257200000000, 0.0003950100000000, -0.0000016000000000 ] - [ 0.0016358700000000, -0.0126243800000000, 0.0128873700000000 ] - [ 0.0016404000000000, 0.0128048700000000, 0.0130348600000000 ] - [ -0.0000266500000000, -0.0003970800000000, -0.0000025200000000 ] - [ 0.0001999100000000, 0.0000881800000000, -0.0015298600000000 ] - [ 0.0110772500000000, -0.0154786600000000, 0.0371275200000000 ] - [ 0.0107258500000000, 0.0150164400000000, 0.0355433600000000 ] - [ -0.0005759000000000, 0.0009297100000000, 0.0001695100000000 ] - [ -0.0005268200000000, -0.0009012600000000, 0.0015534900000000 ] - [ -0.0007634100000000, 0.0033421900000000, -0.0068446900000000 ] - [ 0.0000193400000000, -0.0023411500000000, -0.0051565300000000 ] - [ 0.0002472700000000, -0.0001096500000000, -0.0001500900000000 ] - [ -0.0012721400000000, 0.0016465000000000, -0.0013100200000000 ] - [ -0.0258713800000000, 0.0075948400000000, 0.0584084500000000 ] - [ -0.0221948000000000, -0.0081951700000000, 0.0549913300000000 ] - [ -0.0002159500000000, -0.0009543500000000, -0.0012079400000000 ] - [ 0.0005731900000000, -0.0002783000000000, 0.0002892300000000 ] - [ 0.0005727300000000, -0.0009633800000000, -0.0030533100000000 ] - [ -0.0004734000000000, 0.0016414400000000, -0.0029611600000000 ] - [ -0.0004849500000000, -0.0004144900000000, 0.0001860600000000 ] - [ -0.0002340100000000, -0.0014194300000000, -0.0006370400000000 ] - [ 0.0057193600000000, -0.0033623300000000, -0.0016075600000000 ] - [ 0.0055137400000000, 0.0028077400000000, -0.0010547100000000 ] - [ -0.0005005300000000, 0.0019863100000000, -0.0011873100000000 ] - [ -0.0000592400000000, -0.0001323900000000, -0.0001978900000000 ] - [ -0.0009659300000000, 0.0006665400000000, -0.0003222900000000 ] - [ -0.0007161300000000, -0.0001034200000000, -0.0008687600000000 ] - [ 0.0001960800000000, -0.0004302000000000, 0.0003568600000000 ] - [ 0.0018082900000000, -0.0023710600000000, -0.0033168400000000 ] - [ 0.0118062100000000, 0.0140275800000000, 0.0266611000000000 ] - [ 0.0112640300000000, -0.0133218900000000, 0.0265305200000000 ] - [ 0.0008824000000000, 0.0011554300000000, -0.0030657100000000 ] - [ -0.0006710900000000, 0.0009926600000000, 0.0005574400000000 ] - [ -0.0003206200000000, -0.0002836100000000, -0.0008131100000000 ] - [ 0.0006126200000000, -0.0009420400000000, -0.0005509200000000 ] - [ 0.0002573400000000, 0.0002368600000000, 0.0003039400000000 ] - [ 0.0000343800000000, 0.0056947200000000, -0.0039956900000000 ] - [ 0.0014454700000000, 0.0123141500000000, -0.0016056300000000 ] - [ 0.0012356400000000, -0.0131606400000000, -0.0018393100000000 ] - [ -0.0001691300000000, -0.0048079300000000, -0.0037833100000000 ] - [ -0.0002782600000000, -0.0011469000000000, 0.0002690300000000 ] - [ 0.0001077400000000, -0.0006064900000000, -0.0003420100000000 ] - [ 0.0002993800000000, 0.0015028800000000, -0.0000932600000000 ] - [ -0.0000883300000000, 0.0002624000000000, 0.0000179400000000 ] - [ 0.0038204600000000, 0.0009442900000000, -0.0142072700000000 ] - [ -0.0000646600000000, -0.0034017900000000, 0.0020892200000000 ] - [ -0.0003321100000000, 0.0024986200000000, 0.0028072500000000 ] - [ 0.0035472400000000, -0.0000631800000000, -0.0148723800000000 ] - [ -0.0032787000000000, 0.0041058000000000, -0.0007772100000000 ] - [ -0.0001660900000000, 0.0005682000000000, 0.0000377200000000 ] - [ 0.0001012000000000, 0.0003296300000000, -0.0006896400000000 ] - [ -0.0029978900000000, -0.0049546000000000, -0.0000352400000000 ] - [ -0.0030734500000000, -0.0035360200000000, -0.0120590600000000 ] - [ 0.0004519900000000, 0.0029584900000000, 0.0019089200000000 ] - [ 0.0001525000000000, -0.0022600100000000, 0.0024166800000000 ] - [ -0.0033220900000000, 0.0028551000000000, -0.0125332700000000 ] - [ 0.0002604800000000, -0.0004236700000000, 0.0048693500000000 ] - [ -0.0001444100000000, -0.0005114100000000, -0.0000858100000000 ] - [ 0.0001578200000000, -0.0001832400000000, -0.0005921900000000 ] - [ 0.0005445100000000, 0.0011036300000000, 0.0053556600000000 ] - [ 0.0002869400000000, -0.0000139000000000, 0.0010339100000000 ] - [ -0.0000262400000000, 0.0000153500000000, -0.0043730700000000 ] - [ -0.0000636800000000, 0.0000145900000000, -0.0003991900000000 ] - [ -0.0111880300000000, -0.0000213300000000, 0.0052993400000000 ] - [ -0.0002547900000000, -0.0055883000000000, 0.0001507800000000 ] - [ -0.0246722300000000, -0.0285314100000000, 0.0156849900000000 ] - [ -0.0232604500000000, 0.0276452400000000, 0.0153094200000000 ] - [ 0.0009505200000000, 0.0064624700000000, 0.0004174200000000 ] - [ 0.0006248300000000, -0.0001255000000000, 0.0002401900000000 ] - [ 0.0010636300000000, 0.0027564600000000, 0.0027483600000000 ] - [ -0.0001573200000000, -0.0018931200000000, 0.0030432400000000 ] - [ -0.0005900800000000, -0.0007414800000000, -0.0000205200000000 ] - [ -0.0017932700000000, 0.0079989000000000, 0.0042622800000000 ] - [ 0.0155038600000000, 0.0075372300000000, 0.0223525100000000 ] - [ 0.0161655100000000, -0.0087225900000000, 0.0223510500000000 ] - [ -0.0012930600000000, -0.0070065000000000, 0.0042710300000000 ] - [ 0.0002883100000000, -0.0013883400000000, -0.0002780400000000 ] - [ 0.0011076800000000, -0.0006351800000000, 0.0007701900000000 ] - [ 0.0006048700000000, 0.0016678400000000, 0.0007558200000000 ] - [ -0.0002108000000000, 0.0003603200000000, -0.0002708100000000 ] - [ 0.0016105300000000, -0.0028026000000000, 0.0180020600000000 ] - [ 0.0011216700000000, 0.0009624300000000, -0.0042229900000000 ] - [ -0.0000388200000000, -0.0011434200000000, -0.0038705300000000 ] - [ 0.0004365100000000, 0.0029859400000000, 0.0176242700000000 ] - [ 0.0076904600000000, -0.0014315200000000, -0.0194864800000000 ] - [ -0.0005620500000000, 0.0000207900000000, 0.0011185200000000 ] - [ 0.0005974000000000, 0.0001526700000000, 0.0007786900000000 ] - [ 0.0087985100000000, 0.0011933100000000, -0.0190804000000000 ] - [ 0.0031979500000000, 0.0002903700000000, -0.2727118400000000 ] - [ -0.0006022500000000, -0.0004439000000000, 0.0042570300000000 ] - [ 0.0005754900000000, -0.0004182200000000, 0.0064807400000000 ] - [ 0.0003705700000000, 0.0004355600000000, -0.0011622300000000 ]