# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/97f55f49-b84a-45c8-ba93-bb333adb949d/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 TaBiO4 / Pnna (52) / materials id 30900](https://mdr.nims.go.jp/datasets/463f04c5-2e62-468c-8b23-7286972c2ec5) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnna" number: 52 Hall_symbol: "-P 2a 2bc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 5.655204880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.752253380000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.968534629999999 ] # c points: - symbol: O # 1 coordinates: [ 0.081538220000000, 0.598063080000000, 0.086350100000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.418461780000000, 0.401936920000000, 0.086350100000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.081538220000000, 0.901936920000000, 0.413649900000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.418461780000000, 0.098063080000000, 0.413649900000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.918461780000000, 0.401936920000000, 0.913649900000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.581538220000000, 0.598063080000000, 0.913649900000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.918461780000000, 0.098063080000000, 0.586350100000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.581538220000000, 0.901936920000000, 0.586350100000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.146196800000000, 0.305999370000000, 0.507585790000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.353803200000000, 0.694000630000000, 0.507585790000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.146196800000000, 0.194000630000000, 0.992414210000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.353803200000000, 0.805999370000000, 0.992414210000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.853803200000000, 0.694000630000000, 0.492414210000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.646196800000000, 0.305999370000000, 0.492414210000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.853803200000000, 0.805999370000000, 0.007585790000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.646196800000000, 0.194000630000000, 0.007585790000000 ] mass: 15.999400 - symbol: Ta # 17 coordinates: [ 0.868264090000000, 0.250000000000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 18 coordinates: [ 0.631735910000000, 0.750000000000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 19 coordinates: [ 0.131735910000000, 0.750000000000000, 0.250000000000000 ] mass: 180.947880 - symbol: Ta # 20 coordinates: [ 0.368264090000000, 0.250000000000000, 0.250000000000000 ] mass: 180.947880 - symbol: Bi # 21 coordinates: [ 0.750000000000000, 0.500000000000000, 0.227224490000000 ] mass: 208.980400 - symbol: Bi # 22 coordinates: [ 0.750000000000000, 0.000000000000000, 0.272775510000000 ] mass: 208.980400 - symbol: Bi # 23 coordinates: [ 0.250000000000000, 0.500000000000000, 0.772775510000000 ] mass: 208.980400 - symbol: Bi # 24 coordinates: [ 0.250000000000000, 0.000000000000000, 0.727224490000000 ] mass: 208.980400 reciprocal_lattice: # without 2pi - [ 0.176828253125995, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.085090064659583, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.201266585516382 ] # c*unit_cell: lattice: - [ 5.655204880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.752253380000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.968534630000000 ] # c points: - symbol: O # 1 coordinates: [ 0.081538220000000, 0.598063080000000, 0.086350100000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.418461780000000, 0.401936920000000, 0.086350100000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.081538220000000, 0.901936920000000, 0.413649900000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.418461780000000, 0.098063080000000, 0.413649900000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.918461780000000, 0.401936920000000, 0.913649900000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.581538220000000, 0.598063080000000, 0.913649900000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.918461780000000, 0.098063080000000, 0.586350100000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.581538220000000, 0.901936920000000, 0.586350100000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.146196800000000, 0.305999370000000, 0.507585790000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.353803200000000, 0.694000630000000, 0.507585790000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.146196800000000, 0.194000630000000, 0.992414210000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.353803200000000, 0.805999370000000, 0.992414210000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.853803200000000, 0.694000630000000, 0.492414210000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.646196800000000, 0.305999370000000, 0.492414210000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.853803200000000, 0.805999370000000, 0.007585790000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.646196800000000, 0.194000630000000, 0.007585790000000 ] mass: 15.999400 reduced_to: 16 - symbol: Ta # 17 coordinates: [ 0.868264090000000, 0.250000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 17 - symbol: Ta # 18 coordinates: [ 0.631735910000000, 0.750000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 18 - symbol: Ta # 19 coordinates: [ 0.131735910000000, 0.750000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 19 - symbol: Ta # 20 coordinates: [ 0.368264090000000, 0.250000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 20 - symbol: Bi # 21 coordinates: [ 0.750000000000000, 0.500000000000000, 0.227224490000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 22 coordinates: [ 0.750000000000000, 0.000000000000000, 0.272775510000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 23 coordinates: [ 0.250000000000000, 0.500000000000000, 0.772775510000000 ] mass: 208.980400 reduced_to: 23 - symbol: Bi # 24 coordinates: [ 0.250000000000000, 0.000000000000000, 0.727224490000000 ] mass: 208.980400 reduced_to: 24supercell: lattice: - [ 11.310409760000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.752253380000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.905603889999998 ] # c points: - symbol: O # 1 coordinates: [ 0.040769110000000, 0.598063080000000, 0.028783366666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.540769110000000, 0.598063080000000, 0.028783366666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.040769110000000, 0.598063080000000, 0.362116700000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.540769110000000, 0.598063080000000, 0.362116700000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.040769110000000, 0.598063080000000, 0.695450033333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.540769110000000, 0.598063080000000, 0.695450033333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.209230890000000, 0.401936920000000, 0.028783366666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.709230890000000, 0.401936920000000, 0.028783366666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.209230890000000, 0.401936920000000, 0.362116700000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.709230890000000, 0.401936920000000, 0.362116700000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.209230890000000, 0.401936920000000, 0.695450033333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.709230890000000, 0.401936920000000, 0.695450033333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.040769110000000, 0.901936920000000, 0.137883300000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.540769110000000, 0.901936920000000, 0.137883300000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.040769110000000, 0.901936920000000, 0.471216633333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.540769110000000, 0.901936920000000, 0.471216633333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.040769110000000, 0.901936920000000, 0.804549966666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.540769110000000, 0.901936920000000, 0.804549966666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.209230890000000, 0.098063080000000, 0.137883300000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.709230890000000, 0.098063080000000, 0.137883300000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.209230890000000, 0.098063080000000, 0.471216633333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.709230890000000, 0.098063080000000, 0.471216633333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.209230890000000, 0.098063080000000, 0.804549966666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.709230890000000, 0.098063080000000, 0.804549966666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.459230890000000, 0.401936920000000, 0.304549966666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.959230890000000, 0.401936920000000, 0.304549966666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.459230890000000, 0.401936920000000, 0.637883300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.959230890000000, 0.401936920000000, 0.637883300000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.459230890000000, 0.401936920000000, 0.971216633333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.959230890000000, 0.401936920000000, 0.971216633333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.290769110000000, 0.598063080000000, 0.304549966666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.790769110000000, 0.598063080000000, 0.304549966666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.290769110000000, 0.598063080000000, 0.637883300000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.790769110000000, 0.598063080000000, 0.637883300000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.290769110000000, 0.598063080000000, 0.971216633333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.790769110000000, 0.598063080000000, 0.971216633333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.459230890000000, 0.098063080000000, 0.195450033333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.959230890000000, 0.098063080000000, 0.195450033333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.459230890000000, 0.098063080000000, 0.528783366666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.959230890000000, 0.098063080000000, 0.528783366666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.459230890000000, 0.098063080000000, 0.862116700000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.959230890000000, 0.098063080000000, 0.862116700000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.290769110000000, 0.901936920000000, 0.195450033333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.790769110000000, 0.901936920000000, 0.195450033333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.290769110000000, 0.901936920000000, 0.528783366666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.790769110000000, 0.901936920000000, 0.528783366666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.290769110000000, 0.901936920000000, 0.862116700000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.790769110000000, 0.901936920000000, 0.862116700000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.073098400000000, 0.305999370000000, 0.169195263333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.573098400000000, 0.305999370000000, 0.169195263333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.073098400000000, 0.305999370000000, 0.502528596666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.573098400000000, 0.305999370000000, 0.502528596666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.073098400000000, 0.305999370000000, 0.835861930000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.573098400000000, 0.305999370000000, 0.835861930000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.176901600000000, 0.694000630000000, 0.169195263333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.676901600000000, 0.694000630000000, 0.169195263333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.176901600000000, 0.694000630000000, 0.502528596666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.676901600000000, 0.694000630000000, 0.502528596666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.176901600000000, 0.694000630000000, 0.835861930000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.676901600000000, 0.694000630000000, 0.835861930000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.073098400000000, 0.194000630000000, 0.330804736666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.573098400000000, 0.194000630000000, 0.330804736666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.073098400000000, 0.194000630000000, 0.664138070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.573098400000000, 0.194000630000000, 0.664138070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.073098400000000, 0.194000630000000, 0.997471403333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.573098400000000, 0.194000630000000, 0.997471403333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.176901600000000, 0.805999370000000, 0.330804736666667 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.676901600000000, 0.805999370000000, 0.330804736666667 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.176901600000000, 0.805999370000000, 0.664138070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.676901600000000, 0.805999370000000, 0.664138070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 71 coordinates: [ 0.176901600000000, 0.805999370000000, 0.997471403333333 ] mass: 15.999400 reduced_to: 67 - symbol: O # 72 coordinates: [ 0.676901600000000, 0.805999370000000, 0.997471403333333 ] mass: 15.999400 reduced_to: 67 - symbol: O # 73 coordinates: [ 0.426901600000000, 0.694000630000000, 0.164138070000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.926901600000000, 0.694000630000000, 0.164138070000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.426901600000000, 0.694000630000000, 0.497471403333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.926901600000000, 0.694000630000000, 0.497471403333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.426901600000000, 0.694000630000000, 0.830804736666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.926901600000000, 0.694000630000000, 0.830804736666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.323098400000000, 0.305999370000000, 0.164138070000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.823098400000000, 0.305999370000000, 0.164138070000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.323098400000000, 0.305999370000000, 0.497471403333333 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.823098400000000, 0.305999370000000, 0.497471403333333 ] mass: 15.999400 reduced_to: 79 - symbol: O # 83 coordinates: [ 0.323098400000000, 0.305999370000000, 0.830804736666667 ] mass: 15.999400 reduced_to: 79 - symbol: O # 84 coordinates: [ 0.823098400000000, 0.305999370000000, 0.830804736666667 ] mass: 15.999400 reduced_to: 79 - symbol: O # 85 coordinates: [ 0.426901600000000, 0.805999370000000, 0.002528596666667 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.926901600000000, 0.805999370000000, 0.002528596666667 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.426901600000000, 0.805999370000000, 0.335861930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.926901600000000, 0.805999370000000, 0.335861930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.426901600000000, 0.805999370000000, 0.669195263333333 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.926901600000000, 0.805999370000000, 0.669195263333333 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.323098400000000, 0.194000630000000, 0.002528596666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.823098400000000, 0.194000630000000, 0.002528596666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.323098400000000, 0.194000630000000, 0.335861930000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.823098400000000, 0.194000630000000, 0.335861930000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.323098400000000, 0.194000630000000, 0.669195263333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.823098400000000, 0.194000630000000, 0.669195263333333 ] mass: 15.999400 reduced_to: 91 - symbol: Ta # 97 coordinates: [ 0.434132045000000, 0.250000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 98 coordinates: [ 0.934132045000000, 0.250000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 99 coordinates: [ 0.434132045000000, 0.250000000000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 100 coordinates: [ 0.934132045000000, 0.250000000000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 101 coordinates: [ 0.434132045000000, 0.250000000000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 102 coordinates: [ 0.934132045000000, 0.250000000000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 103 coordinates: [ 0.315867955000000, 0.750000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 104 coordinates: [ 0.815867955000000, 0.750000000000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 105 coordinates: [ 0.315867955000000, 0.750000000000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 106 coordinates: [ 0.815867955000000, 0.750000000000000, 0.583333333333333 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 107 coordinates: [ 0.315867955000000, 0.750000000000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 108 coordinates: [ 0.815867955000000, 0.750000000000000, 0.916666666666667 ] mass: 180.947880 reduced_to: 103 - symbol: Ta # 109 coordinates: [ 0.065867955000000, 0.750000000000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 110 coordinates: [ 0.565867955000000, 0.750000000000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 111 coordinates: [ 0.065867955000000, 0.750000000000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 112 coordinates: [ 0.565867955000000, 0.750000000000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 113 coordinates: [ 0.065867955000000, 0.750000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 114 coordinates: [ 0.565867955000000, 0.750000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 109 - symbol: Ta # 115 coordinates: [ 0.184132045000000, 0.250000000000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 115 - symbol: Ta # 116 coordinates: [ 0.684132045000000, 0.250000000000000, 0.083333333333333 ] mass: 180.947880 reduced_to: 115 - symbol: Ta # 117 coordinates: [ 0.184132045000000, 0.250000000000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 115 - symbol: Ta # 118 coordinates: [ 0.684132045000000, 0.250000000000000, 0.416666666666667 ] mass: 180.947880 reduced_to: 115 - symbol: Ta # 119 coordinates: [ 0.184132045000000, 0.250000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 115 - symbol: Ta # 120 coordinates: [ 0.684132045000000, 0.250000000000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 115 - symbol: Bi # 121 coordinates: [ 0.375000000000000, 0.500000000000000, 0.075741496666667 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 122 coordinates: [ 0.875000000000000, 0.500000000000000, 0.075741496666667 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 123 coordinates: [ 0.375000000000000, 0.500000000000000, 0.409074830000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 124 coordinates: [ 0.875000000000000, 0.500000000000000, 0.409074830000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 125 coordinates: [ 0.375000000000000, 0.500000000000000, 0.742408163333333 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 126 coordinates: [ 0.875000000000000, 0.500000000000000, 0.742408163333333 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 127 coordinates: [ 0.375000000000000, 0.000000000000000, 0.090925170000000 ] mass: 208.980400 reduced_to: 127 - symbol: Bi # 128 coordinates: [ 0.875000000000000, 0.000000000000000, 0.090925170000000 ] mass: 208.980400 reduced_to: 127 - symbol: Bi # 129 coordinates: [ 0.375000000000000, 0.000000000000000, 0.424258503333333 ] mass: 208.980400 reduced_to: 127 - symbol: Bi # 130 coordinates: [ 0.875000000000000, 0.000000000000000, 0.424258503333333 ] mass: 208.980400 reduced_to: 127 - symbol: Bi # 131 coordinates: [ 0.375000000000000, 0.000000000000000, 0.757591836666667 ] mass: 208.980400 reduced_to: 127 - symbol: Bi # 132 coordinates: [ 0.875000000000000, 0.000000000000000, 0.757591836666667 ] mass: 208.980400 reduced_to: 127 - symbol: Bi # 133 coordinates: [ 0.125000000000000, 0.500000000000000, 0.257591836666667 ] mass: 208.980400 reduced_to: 133 - symbol: Bi # 134 coordinates: [ 0.625000000000000, 0.500000000000000, 0.257591836666667 ] mass: 208.980400 reduced_to: 133 - symbol: Bi # 135 coordinates: [ 0.125000000000000, 0.500000000000000, 0.590925170000000 ] mass: 208.980400 reduced_to: 133 - symbol: Bi # 136 coordinates: [ 0.625000000000000, 0.500000000000000, 0.590925170000000 ] mass: 208.980400 reduced_to: 133 - symbol: Bi # 137 coordinates: [ 0.125000000000000, 0.500000000000000, 0.924258503333333 ] mass: 208.980400 reduced_to: 133 - symbol: Bi # 138 coordinates: [ 0.625000000000000, 0.500000000000000, 0.924258503333333 ] mass: 208.980400 reduced_to: 133 - symbol: Bi # 139 coordinates: [ 0.125000000000000, 0.000000000000000, 0.242408163333333 ] mass: 208.980400 reduced_to: 139 - symbol: Bi # 140 coordinates: [ 0.625000000000000, 0.000000000000000, 0.242408163333333 ] mass: 208.980400 reduced_to: 139 - symbol: Bi # 141 coordinates: [ 0.125000000000000, 0.000000000000000, 0.575741496666667 ] mass: 208.980400 reduced_to: 139 - symbol: Bi # 142 coordinates: [ 0.625000000000000, 0.000000000000000, 0.575741496666667 ] mass: 208.980400 reduced_to: 139 - symbol: Bi # 143 coordinates: [ 0.125000000000000, 0.000000000000000, 0.909074830000000 ] mass: 208.980400 reduced_to: 139 - symbol: Bi # 144 coordinates: [ 0.625000000000000, 0.000000000000000, 0.909074830000000 ] mass: 208.980400 reduced_to: 139born_effective_charge:- # 1 (O) - [ -2.428676600000000, -0.289548750000000, 0.931893640000000 ] - [ -0.598817170000000, -4.056413990000000, -1.413076220000000 ] - [ 0.384199510000000, -1.335943350000000, -2.329433130000000 ]- # 2 (O) - [ -2.428676600000000, -0.289548750000000, -0.931893640000000 ] - [ -0.598817170000000, -4.056413990000000, 1.413076220000000 ] - [ -0.384199510000000, 1.335943350000000, -2.329433130000000 ]- # 3 (O) - [ -2.428676600000000, 0.289548750000000, -0.931893640000000 ] - [ 0.598817170000000, -4.056413990000000, -1.413076220000000 ] - [ -0.384199510000000, -1.335943350000000, -2.329433130000000 ]- # 4 (O) - [ -2.428676600000000, 0.289548750000000, 0.931893640000000 ] - [ 0.598817170000000, -4.056413990000000, 1.413076220000000 ] - [ 0.384199510000000, 1.335943350000000, -2.329433130000000 ]- # 5 (O) - [ -2.428676600000000, -0.289548750000000, 0.931893640000000 ] - [ -0.598817170000000, -4.056413990000000, -1.413076220000000 ] - [ 0.384199510000000, -1.335943350000000, -2.329433130000000 ]- # 6 (O) - [ -2.428676600000000, -0.289548750000000, -0.931893640000000 ] - [ -0.598817170000000, -4.056413990000000, 1.413076220000000 ] - [ -0.384199510000000, 1.335943350000000, -2.329433130000000 ]- # 7 (O) - [ -2.428676600000000, 0.289548750000000, -0.931893640000000 ] - [ 0.598817170000000, -4.056413990000000, -1.413076220000000 ] - [ -0.384199510000000, -1.335943350000000, -2.329433130000000 ]- # 8 (O) - [ -2.428676600000000, 0.289548750000000, 0.931893640000000 ] - [ 0.598817170000000, -4.056413990000000, 1.413076220000000 ] - [ 0.384199510000000, 1.335943350000000, -2.329433130000000 ]- # 9 (O) - [ -3.549178050000001, 0.296373650000000, 2.019415930000000 ] - [ 0.074202910000000, -2.392614310000000, -0.656262170000000 ] - [ 2.046661530000001, -0.769198970000000, -3.541709260000000 ]- # 10 (O) - [ -3.549178050000001, 0.296373650000000, -2.019415929999999 ] - [ 0.074202910000000, -2.392614310000000, 0.656262170000000 ] - [ -2.046661530000001, 0.769198970000000, -3.541709260000000 ]- # 11 (O) - [ -3.549178050000001, -0.296373650000000, -2.019415929999999 ] - [ -0.074202910000000, -2.392614310000000, -0.656262170000000 ] - [ -2.046661530000001, -0.769198970000000, -3.541709260000000 ]- # 12 (O) - [ -3.549178050000001, -0.296373650000000, 2.019415929999999 ] - [ -0.074202910000000, -2.392614310000000, 0.656262170000000 ] - [ 2.046661530000001, 0.769198970000000, -3.541709260000000 ]- # 13 (O) - [ -3.549178050000001, 0.296373650000000, 2.019415929999999 ] - [ 0.074202910000000, -2.392614310000000, -0.656262170000000 ] - [ 2.046661530000001, -0.769198970000000, -3.541709260000000 ]- # 14 (O) - [ -3.549178050000001, 0.296373650000000, -2.019415929999999 ] - [ 0.074202910000000, -2.392614310000000, 0.656262170000000 ] - [ -2.046661530000001, 0.769198970000000, -3.541709260000000 ]- # 15 (O) - [ -3.549178050000001, -0.296373650000000, -2.019415929999999 ] - [ -0.074202910000000, -2.392614310000000, -0.656262170000000 ] - [ -2.046661530000001, -0.769198970000000, -3.541709260000000 ]- # 16 (O) - [ -3.549178050000001, -0.296373650000000, 2.019415929999999 ] - [ -0.074202910000000, -2.392614310000000, 0.656262170000000 ] - [ 2.046661530000001, 0.769198970000000, -3.541709260000000 ]- # 17 (Ta) - [ 7.605385190000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.691886700000000, 0.344711220000000 ] - [ 0.000000000000000, -0.513542770000000, 7.778088250000000 ]- # 18 (Ta) - [ 7.605385190000002, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.691886700000000, -0.344711220000000 ] - [ 0.000000000000000, 0.513542770000000, 7.778088250000000 ]- # 19 (Ta) - [ 7.605385190000002, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.691886700000000, 0.344711220000000 ] - [ 0.000000000000000, -0.513542770000000, 7.778088250000000 ]- # 20 (Ta) - [ 7.605385190000002, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.691886700000000, -0.344711220000000 ] - [ 0.000000000000000, 0.513542770000000, 7.778088250000000 ]- # 21 (Bi) - [ 4.350324120000000, 0.133259220000000, 0.000000000000000 ] - [ 0.694677970000000, 5.206169910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.964196540000000 ]- # 22 (Bi) - [ 4.350324120000000, -0.133259220000000, 0.000000000000000 ] - [ -0.694677970000000, 5.206169910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.964196540000000 ]- # 23 (Bi) - [ 4.350324120000000, 0.133259220000000, 0.000000000000000 ] - [ 0.694677970000000, 5.206169910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.964196540000000 ]- # 24 (Bi) - [ 4.350324120000000, -0.133259220000000, 0.000000000000000 ] - [ -0.694677970000000, 5.206169910000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.964196540000000 ]dielectric_constant: - [ 5.992007220000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.326835800000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.821562350000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0889559100000000, -0.0113523300000000, 0.0295949600000000 ] - [ 0.0014379600000000, -0.0001276400000000, -0.0011508500000000 ] - [ -0.0018644500000000, -0.0000640200000000, -0.0000312800000000 ] - [ -0.0006515800000000, -0.0004349600000000, -0.0009144500000000 ] - [ -0.0018699600000000, 0.0000431000000000, -0.0004563200000000 ] - [ -0.0006515000000000, 0.0002015600000000, -0.0003960700000000 ] - [ 0.0043300700000000, -0.0073447800000000, 0.0020264000000000 ] - [ 0.0106801100000000, 0.0076236600000000, 0.0055281900000000 ] - [ 0.0013845700000000, -0.0003284000000000, 0.0001326000000000 ] - [ 0.0012253200000000, 0.0003176000000000, -0.0007688000000000 ] - [ 0.0013909500000000, 0.0000908300000000, -0.0008167200000000 ] - [ 0.0012289600000000, -0.0001781800000000, -0.0000720000000000 ] - [ -0.0009236000000000, 0.0094517000000000, 0.0044960400000000 ] - [ -0.0003319900000000, -0.0001045500000000, 0.0005093300000000 ] - [ -0.0016086300000000, 0.0000366900000000, 0.0001348500000000 ] - [ -0.0009698300000000, -0.0001695700000000, 0.0002276600000000 ] - [ -0.0020217300000000, 0.0001648700000000, 0.0000721000000000 ] - [ -0.0005088500000000, 0.0000766500000000, 0.0006018200000000 ] - [ 0.0017014200000000, -0.0001665300000000, 0.0003261700000000 ] - [ 0.0015037200000000, 0.0023868700000000, -0.0002421200000000 ] - [ 0.0012285400000000, 0.0001386800000000, 0.0001510600000000 ] - [ 0.0012983400000000, 0.0001951200000000, 0.0000647800000000 ] - [ 0.0016205100000000, -0.0001041000000000, -0.0001209300000000 ] - [ 0.0012042800000000, -0.0000946100000000, 0.0005551800000000 ] - [ 0.0020151600000000, 0.0002216800000000, -0.0000735100000000 ] - [ 0.0002676900000000, -0.0004044900000000, -0.0001313400000000 ] - [ 0.0016458900000000, -0.0002381800000000, -0.0002060400000000 ] - [ 0.0008912700000000, 0.0000133300000000, 0.0003315200000000 ] - [ 0.0039244200000000, -0.0000307800000000, -0.0007518600000000 ] - [ -0.0008251500000000, 0.0103019100000000, 0.0060014500000000 ] - [ -0.0010663800000000, -0.0007635000000000, 0.0010576700000000 ] - [ -0.0010626500000000, 0.0001774700000000, -0.0007644300000000 ] - [ -0.0012485700000000, 0.0002284200000000, -0.0000874000000000 ] - [ -0.0012478100000000, 0.0000406500000000, 0.0002775400000000 ] - [ 0.0085521300000000, 0.0016316100000000, -0.0037967500000000 ] - [ 0.0083637700000000, -0.0022666200000000, 0.0057537300000000 ] - [ 0.0019832400000000, 0.0003049800000000, 0.0001524100000000 ] - [ -0.0001969400000000, 0.0015932800000000, -0.0002602300000000 ] - [ 0.0014667800000000, -0.0000619500000000, -0.0002702700000000 ] - [ 0.0010098300000000, -0.0000471000000000, -0.0005103700000000 ] - [ 0.0019764200000000, 0.0001198400000000, 0.0001852900000000 ] - [ -0.0002064700000000, 0.0009442900000000, 0.0001959300000000 ] - [ -0.0007275600000000, 0.0007353000000000, -0.0001040900000000 ] - [ -0.0011232300000000, -0.0006338100000000, -0.0002496400000000 ] - [ -0.0012120000000000, 0.0000590400000000, -0.0003059000000000 ] - [ -0.0012140400000000, 0.0000563600000000, -0.0004388800000000 ] - [ -0.0011232000000000, 0.0018586200000000, -0.0015204800000000 ] - [ -0.0007164600000000, -0.0018574400000000, 0.0009329500000000 ] - [ -0.0030281300000000, -0.0004608100000000, 0.0006512700000000 ] - [ 0.0008301000000000, -0.0006193500000000, -0.0019860600000000 ] - [ -0.0010861800000000, -0.0006764200000000, -0.0007637300000000 ] - [ -0.0004921100000000, -0.0007524900000000, -0.0010757300000000 ] - [ -0.0029149200000000, -0.0058260800000000, -0.0020942800000000 ] - [ -0.0004137400000000, 0.0000094600000000, -0.0002496800000000 ] - [ 0.0061027200000000, 0.0063054200000000, 0.0104267200000000 ] - [ 0.0027685000000000, -0.0003989400000000, -0.0001908100000000 ] - [ 0.0008203900000000, 0.0007048900000000, -0.0007627300000000 ] - [ 0.0009389500000000, 0.0006326800000000, -0.0007827200000000 ] - [ -0.0002252600000000, 0.0023459900000000, -0.0031056300000000 ] - [ 0.0028203900000000, -0.0005003800000000, 0.0016004600000000 ] - [ -0.0020779700000000, 0.0012858600000000, 0.0001097900000000 ] - [ -0.0005922500000000, 0.0006244900000000, 0.0006110800000000 ] - [ -0.0016289700000000, 0.0003739500000000, -0.0002973000000000 ] - [ -0.0005599200000000, 0.0007443500000000, 0.0009965900000000 ] - [ -0.0023849600000000, 0.0009418700000000, 0.0002147700000000 ] - [ 0.0012867800000000, 0.0018780800000000, 0.0021750000000000 ] - [ 0.0001959200000000, -0.0005147700000000, 0.0023001600000000 ] - [ 0.0023660700000000, -0.0010835300000000, -0.0005545400000000 ] - [ 0.0009675900000000, -0.0005582500000000, 0.0003603300000000 ] - [ 0.0011243000000000, -0.0005742200000000, 0.0006455900000000 ] - [ 0.0041374300000000, 0.0070633400000000, -0.0004794000000000 ] - [ 0.0024197600000000, -0.0012793100000000, 0.0000034100000000 ] - [ 0.0027460100000000, 0.0007618500000000, 0.0001331800000000 ] - [ 0.0037727200000000, -0.0069831200000000, -0.0096874700000000 ] - [ 0.0013958600000000, 0.0005586500000000, 0.0003261800000000 ] - [ 0.0006596700000000, 0.0005817900000000, 0.0005968500000000 ] - [ 0.0035093400000000, 0.0003528700000000, -0.0018317300000000 ] - [ -0.0008485500000000, 0.0002780000000000, 0.0032842300000000 ] - [ -0.0000700200000000, -0.0013620600000000, 0.0018073300000000 ] - [ -0.0014971000000000, 0.0066634700000000, -0.0032069700000000 ] - [ -0.0010003200000000, -0.0007029900000000, 0.0005015800000000 ] - [ -0.0011913600000000, -0.0005161400000000, 0.0002221400000000 ] - [ 0.0002432700000000, -0.0014254000000000, 0.0011137500000000 ] - [ -0.0009339600000000, -0.0004534000000000, 0.0014745700000000 ] - [ 0.0032323700000000, -0.0001938400000000, 0.0007163600000000 ] - [ 0.0017084500000000, -0.0082423700000000, -0.0001696900000000 ] - [ 0.0021985200000000, -0.0001192800000000, 0.0007213700000000 ] - [ -0.0001709200000000, -0.0012188300000000, -0.0021046500000000 ] - [ 0.0013897700000000, -0.0007356500000000, -0.0006765200000000 ] - [ 0.0003426400000000, -0.0005408900000000, -0.0008215000000000 ] - [ 0.0001011600000000, 0.0001930000000000, -0.0010820000000000 ] - [ -0.0020706400000000, 0.0011199200000000, 0.0004803500000000 ] - [ -0.0006826900000000, 0.0008350600000000, -0.0008133400000000 ] - [ -0.0006514500000000, 0.0009188300000000, -0.0015380700000000 ] - [ -0.0002871200000000, 0.0005538700000000, -0.0013578500000000 ] - [ -0.0011994200000000, 0.0006496200000000, -0.0004472200000000 ] - [ -0.0011836700000000, -0.0004187900000000, -0.0000046600000000 ] - [ 0.0056904300000000, -0.0024165300000000, 0.0032709400000000 ] - [ 0.0001066500000000, 0.0000487800000000, 0.0005701400000000 ] - [ 0.0018382400000000, -0.0001387800000000, 0.0005657000000000 ] - [ -0.0025487400000000, 0.0003519700000000, -0.0010504200000000 ] - [ 0.0051295700000000, -0.0032334300000000, -0.0043142100000000 ] - [ -0.0055245600000000, -0.0014649300000000, -0.0041047700000000 ] - [ -0.0036413600000000, 0.0028755100000000, 0.0038243800000000 ] - [ -0.0013486600000000, -0.0000915600000000, 0.0004517300000000 ] - [ -0.0006375900000000, -0.0000096300000000, 0.0001908000000000 ] - [ -0.0061385100000000, -0.0051363200000000, 0.0056429600000000 ] - [ -0.0025898600000000, 0.0066337200000000, -0.0056805000000000 ] - [ 0.0166438800000000, 0.0031871500000000, -0.0007886600000000 ] - [ -0.0054153700000000, 0.0008670400000000, -0.0005258300000000 ] - [ 0.0009354300000000, 0.0001308300000000, -0.0001378500000000 ] - [ -0.0024096600000000, 0.0004246100000000, 0.0005574600000000 ] - [ 0.0027557100000000, -0.0008095200000000, 0.0009612900000000 ] - [ -0.0038532400000000, -0.0000444300000000, -0.0003574900000000 ] - [ 0.0026165300000000, 0.0041652700000000, -0.0025071200000000 ] - [ -0.0029820800000000, -0.0082805100000000, 0.0007812900000000 ] - [ 0.0013319500000000, 0.0002001100000000, 0.0003884100000000 ] - [ 0.0003514200000000, -0.0001349100000000, 0.0010086100000000 ] - [ -0.0007451300000000, 0.0016116000000000, 0.0025420300000000 ] - [ 0.0007598500000000, -0.0002876600000000, -0.0010727600000000 ] - [ -0.0059950500000000, 0.0020839500000000, -0.0018261200000000 ] - [ 0.0158924300000000, -0.0002985300000000, -0.0137576800000000 ] - [ -0.0006312000000000, 0.0002352600000000, 0.0003004200000000 ] - [ 0.0005638400000000, -0.0000210800000000, 0.0013600000000000 ] - [ -0.0011777700000000, 0.0000969400000000, 0.0013864800000000 ] - [ 0.0010204900000000, -0.0002245200000000, -0.0004733400000000 ] - [ -0.0014827100000000, -0.0007628700000000, -0.0007136200000000 ] - [ 0.0024372800000000, -0.0003979500000000, 0.0006694800000000 ] - [ -0.0002520700000000, -0.0001986900000000, -0.0004653900000000 ] - [ 0.0002903900000000, -0.0000368300000000, 0.0001416500000000 ] - [ -0.0009662800000000, -0.0002550600000000, 0.0000243200000000 ] - [ 0.0007621600000000, 0.0002737100000000, -0.0008604900000000 ] - [ 0.0020928100000000, 0.0018125900000000, -0.0022198000000000 ] - [ -0.0018752500000000, -0.0000571400000000, 0.0013135800000000 ] - [ 0.0003444900000000, -0.0000337800000000, 0.0003165300000000 ] - [ -0.0003339400000000, -0.0000166900000000, -0.0002501900000000 ] - [ 0.0246004000000000, -0.0096645800000000, -0.0238437900000000 ] - [ -0.0060174600000000, -0.0001463300000000, -0.0030131900000000 ] - [ 0.0000202400000000, -0.0016685300000000, -0.0014671500000000 ] - [ -0.0010658400000000, -0.0002583100000000, 0.0008171500000000 ] - [ 0.0001902200000000, 0.0000156400000000, 0.0006020700000000 ] - [ -0.0002340300000000, 0.0000149200000000, 0.0004314500000000 ] - [ 0.0015643800000000, -0.0014242800000000, 0.0013100800000000 ] - [ -0.0009623000000000, 0.0000231900000000, -0.0002562200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0880314300000000, 0.0131633500000000, -0.0299918000000000 ] - [ -0.0039397400000000, 0.0001679400000000, 0.0006320500000000 ] - [ -0.0006349000000000, 0.0000904300000000, -0.0004337100000000 ] - [ -0.0018571100000000, 0.0004627800000000, 0.0004564500000000 ] - [ -0.0006401700000000, -0.0000158400000000, -0.0000648900000000 ] - [ -0.0018571200000000, -0.0001756500000000, -0.0001294000000000 ] - [ -0.0018126900000000, 0.0072439100000000, -0.0025722000000000 ] - [ -0.0082506000000000, -0.0077195000000000, -0.0061059800000000 ] - [ 0.0011110000000000, 0.0002982300000000, -0.0005987200000000 ] - [ 0.0012785700000000, -0.0003493400000000, 0.0003093700000000 ] - [ 0.0011179600000000, -0.0001199400000000, 0.0002956000000000 ] - [ 0.0012819000000000, 0.0001567200000000, -0.0004483100000000 ] - [ -0.0014746300000000, -0.0097108700000000, -0.0041399700000000 ] - [ -0.0021690100000000, 0.0000764400000000, -0.0000461400000000 ] - [ -0.0008894300000000, -0.0000642400000000, 0.0003947300000000 ] - [ -0.0015322900000000, 0.0001448900000000, 0.0003048400000000 ] - [ -0.0004898200000000, -0.0001843100000000, 0.0004509500000000 ] - [ -0.0019989700000000, -0.0001045300000000, -0.0000843600000000 ] - [ 0.0007935500000000, 0.0001814700000000, 0.0001440600000000 ] - [ 0.0010121200000000, -0.0023856000000000, 0.0007004800000000 ] - [ 0.0012676400000000, -0.0001071300000000, 0.0003797300000000 ] - [ 0.0012008400000000, -0.0001663800000000, 0.0004672500000000 ] - [ 0.0008875300000000, 0.0001324100000000, 0.0006440100000000 ] - [ 0.0013051400000000, 0.0001211600000000, -0.0000341800000000 ] - [ 0.0004884400000000, -0.0002508500000000, 0.0005965400000000 ] - [ 0.0022473600000000, 0.0003708700000000, 0.0006529800000000 ] - [ 0.0008542100000000, 0.0002017900000000, 0.0006667200000000 ] - [ 0.0016122400000000, -0.0000393100000000, 0.0001299200000000 ] - [ -0.0014394500000000, -0.0000057100000000, 0.0012890600000000 ] - [ 0.0033502800000000, -0.0103135300000000, -0.0054455800000000 ] - [ -0.0014487800000000, 0.0007952800000000, -0.0005480000000000 ] - [ -0.0014440700000000, -0.0001429800000000, 0.0012882800000000 ] - [ -0.0012515000000000, -0.0002022900000000, 0.0005470700000000 ] - [ -0.0012505600000000, -0.0000044000000000, 0.0001830200000000 ] - [ -0.0108792800000000, -0.0015786900000000, 0.0042594800000000 ] - [ -0.0110681300000000, 0.0023118000000000, -0.0053048700000000 ] - [ 0.0005316300000000, -0.0002864900000000, -0.0006738000000000 ] - [ 0.0027151500000000, -0.0016056500000000, -0.0002749100000000 ] - [ 0.0010278300000000, 0.0000942200000000, -0.0002600200000000 ] - [ 0.0014903600000000, 0.0000752600000000, -0.0000224900000000 ] - [ 0.0005249900000000, -0.0000995000000000, -0.0006504600000000 ] - [ 0.0027054500000000, -0.0009028000000000, -0.0006542800000000 ] - [ -0.0017956300000000, -0.0007646500000000, -0.0004164700000000 ] - [ -0.0013756800000000, 0.0006123700000000, -0.0002782700000000 ] - [ -0.0012822400000000, -0.0000904100000000, -0.0002269100000000 ] - [ -0.0012841400000000, -0.0000879000000000, -0.0000915600000000 ] - [ -0.0013762600000000, -0.0018812500000000, 0.0010562300000000 ] - [ -0.0017838700000000, 0.0018367700000000, -0.0013951700000000 ] - [ 0.0011278100000000, -0.0008497600000000, -0.0020075600000000 ] - [ -0.0027353000000000, -0.0006969200000000, 0.0006334000000000 ] - [ -0.0008153700000000, -0.0006345700000000, -0.0005021300000000 ] - [ -0.0014112300000000, -0.0005612300000000, -0.0001847400000000 ] - [ 0.0010024700000000, 0.0045370300000000, 0.0008000600000000 ] - [ -0.0014922700000000, -0.0013088100000000, -0.0010596700000000 ] - [ -0.0042719000000000, -0.0049337400000000, -0.0117579800000000 ] - [ -0.0008704800000000, 0.0017264000000000, -0.0011653100000000 ] - [ 0.0010806700000000, 0.0006077300000000, -0.0005049500000000 ] - [ 0.0009642700000000, 0.0006807900000000, -0.0004786700000000 ] - [ 0.0021268000000000, -0.0010530700000000, 0.0017914000000000 ] - [ -0.0009091400000000, 0.0018041700000000, -0.0029170100000000 ] - [ 0.0001822300000000, 0.0000187500000000, 0.0012469200000000 ] - [ -0.0013076700000000, 0.0006903100000000, 0.0007474600000000 ] - [ -0.0002759000000000, 0.0009146700000000, 0.0016042000000000 ] - [ -0.0013469800000000, 0.0005436000000000, 0.0003080700000000 ] - [ 0.0004793700000000, 0.0003704800000000, 0.0010433300000000 ] - [ -0.0031983400000000, -0.0005765700000000, -0.0009208400000000 ] - [ 0.0017076400000000, -0.0007976600000000, -0.0009486100000000 ] - [ -0.0004638700000000, -0.0002268200000000, 0.0019122400000000 ] - [ 0.0009421600000000, -0.0007247900000000, 0.0009403200000000 ] - [ 0.0007829100000000, -0.0007181800000000, 0.0006549400000000 ] - [ -0.0022537500000000, -0.0083013400000000, 0.0017427800000000 ] - [ -0.0005097900000000, -0.0000231600000000, 0.0012602200000000 ] - [ -0.0008517400000000, 0.0005335700000000, 0.0011789100000000 ] - [ -0.0018443400000000, 0.0083467800000000, 0.0110918500000000 ] - [ 0.0005089800000000, 0.0007539200000000, 0.0009340200000000 ] - [ 0.0012402000000000, 0.0007340100000000, 0.0006673500000000 ] - [ -0.0016019600000000, 0.0009631500000000, 0.0031790700000000 ] - [ 0.0027577600000000, 0.0010371900000000, -0.0019281600000000 ] - [ -0.0018359700000000, 0.0000706500000000, -0.0005015500000000 ] - [ -0.0004074800000000, -0.0080315500000000, 0.0045497800000000 ] - [ -0.0009070300000000, -0.0006041300000000, 0.0007578200000000 ] - [ -0.0007083500000000, -0.0007986900000000, 0.0010412400000000 ] - [ -0.0021496800000000, 0.0001087400000000, 0.0002402100000000 ] - [ -0.0009610100000000, -0.0008643500000000, -0.0001098300000000 ] - [ -0.0013315600000000, -0.0011143900000000, -0.0019720000000000 ] - [ 0.0002838200000000, 0.0069551600000000, -0.0010579200000000 ] - [ -0.0003023500000000, -0.0011723600000000, -0.0020365000000000 ] - [ 0.0020755700000000, -0.0000695000000000, 0.0007985500000000 ] - [ 0.0005101500000000, -0.0005763400000000, -0.0006868900000000 ] - [ 0.0015572900000000, -0.0007720100000000, -0.0005360600000000 ] - [ -0.0020064500000000, 0.0011180500000000, -0.0001813200000000 ] - [ 0.0001781900000000, 0.0001818300000000, -0.0017460600000000 ] - [ -0.0012306800000000, 0.0004485700000000, -0.0004876000000000 ] - [ -0.0012543100000000, 0.0003661700000000, 0.0002380300000000 ] - [ -0.0016170900000000, 0.0007627000000000, 0.0000028200000000 ] - [ -0.0007042500000000, 0.0006579100000000, -0.0009068400000000 ] - [ 0.0030531100000000, 0.0004336200000000, -0.0000018800000000 ] - [ -0.0038598100000000, 0.0024594200000000, -0.0032929600000000 ] - [ 0.0017693800000000, -0.0000459900000000, -0.0005819000000000 ] - [ 0.0000279100000000, 0.0001436100000000, -0.0005823900000000 ] - [ 0.0044289500000000, -0.0003429100000000, 0.0010736900000000 ] - [ -0.0032622400000000, 0.0032085800000000, 0.0043157500000000 ] - [ 0.0036969100000000, 0.0014588800000000, 0.0041303100000000 ] - [ 0.0017596500000000, -0.0028974000000000, -0.0038193300000000 ] - [ -0.0005217600000000, 0.0000978600000000, -0.0004615800000000 ] - [ -0.0012360300000000, 0.0000045300000000, -0.0002040900000000 ] - [ 0.0042768600000000, 0.0051030100000000, -0.0056163600000000 ] - [ 0.0006513300000000, -0.0067263800000000, 0.0056802400000000 ] - [ -0.0189416000000000, -0.0034962000000000, 0.0006718500000000 ] - [ 0.0035510000000000, -0.0008865000000000, 0.0005016600000000 ] - [ -0.0028063300000000, -0.0001371200000000, 0.0001619900000000 ] - [ 0.0005471000000000, -0.0004297300000000, -0.0005395600000000 ] - [ -0.0046112900000000, 0.0008022900000000, -0.0009640000000000 ] - [ 0.0019905700000000, 0.0000401000000000, 0.0003665500000000 ] - [ -0.0007353000000000, -0.0041419800000000, 0.0024844800000000 ] - [ 0.0048740100000000, 0.0083513500000000, -0.0007926400000000 ] - [ 0.0005449400000000, -0.0001985100000000, -0.0003711600000000 ] - [ 0.0015217200000000, 0.0001377000000000, -0.0009969100000000 ] - [ 0.0026218200000000, -0.0016146000000000, -0.0025482300000000 ] - [ 0.0010981900000000, 0.0002873800000000, 0.0010787200000000 ] - [ 0.0059978400000000, -0.0020777300000000, 0.0024753400000000 ] - [ -0.0171991200000000, -0.0005568000000000, 0.0151293000000000 ] - [ 0.0006387300000000, -0.0002386400000000, 0.0003751000000000 ] - [ -0.0005671100000000, 0.0000178200000000, -0.0006921000000000 ] - [ 0.0011787100000000, -0.0000911200000000, -0.0007108600000000 ] - [ -0.0010244800000000, 0.0002231900000000, 0.0011429100000000 ] - [ 0.0014923200000000, 0.0007686000000000, 0.0000289600000000 ] - [ -0.0024940200000000, 0.0004370600000000, -0.0013440300000000 ] - [ 0.0002563300000000, 0.0001998100000000, -0.0002000900000000 ] - [ -0.0002916800000000, 0.0000392000000000, -0.0008094000000000 ] - [ 0.0009672200000000, 0.0002545600000000, -0.0006878300000000 ] - [ -0.0007622100000000, -0.0002749100000000, 0.0001877200000000 ] - [ -0.0021021400000000, -0.0018395800000000, 0.0015778800000000 ] - [ 0.0018920600000000, 0.0000538800000000, -0.0020027800000000 ] - [ -0.0003429000000000, 0.0000343800000000, -0.0009894900000000 ] - [ 0.0003354400000000, 0.0000184500000000, -0.0004209200000000 ] - [ -0.0245253200000000, 0.0092152600000000, 0.0225526100000000 ] - [ 0.0060478400000000, 0.0001681600000000, 0.0023534400000000 ] - [ 0.0000164700000000, 0.0017013700000000, 0.0021722400000000 ] - [ 0.0010608700000000, 0.0002619300000000, -0.0001491800000000 ] - [ -0.0001922400000000, -0.0000170100000000, 0.0000703700000000 ] - [ 0.0002353000000000, -0.0000137500000000, 0.0002382000000000 ] - [ -0.0015556200000000, 0.0014244500000000, -0.0006428500000000 ] - [ 0.0009569900000000, -0.0000203500000000, 0.0009300200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0139139900000000, -0.1855486700000000, -0.0865054300000000 ] - [ -0.0013958400000000, -0.0024344000000000, -0.0012647700000000 ] - [ -0.0012232100000000, -0.0011036100000000, -0.0003157600000000 ] - [ -0.0010614800000000, -0.0009040200000000, -0.0006833500000000 ] - [ -0.0013335200000000, -0.0011015400000000, -0.0000513700000000 ] - [ -0.0017032500000000, -0.0009005600000000, -0.0002844800000000 ] - [ -0.0060184600000000, 0.0103612700000000, -0.0047551400000000 ] - [ 0.0089613700000000, 0.0068966700000000, 0.0038827600000000 ] - [ 0.0013555500000000, -0.0002688100000000, 0.0000435300000000 ] - [ 0.0010823000000000, -0.0002644900000000, -0.0003156200000000 ] - [ 0.0009404300000000, -0.0002639400000000, 0.0011731600000000 ] - [ 0.0015896700000000, -0.0002584700000000, 0.0004648500000000 ] - [ -0.0109114900000000, 0.0332262500000000, 0.0141625000000000 ] - [ -0.0011557200000000, -0.0000445400000000, 0.0000398300000000 ] - [ -0.0013003900000000, 0.0006841800000000, 0.0011378300000000 ] - [ -0.0010918900000000, 0.0004783500000000, 0.0009827200000000 ] - [ -0.0014320500000000, 0.0002234300000000, -0.0003965000000000 ] - [ -0.0013432000000000, 0.0003086400000000, 0.0002241700000000 ] - [ 0.0014280600000000, 0.0047461100000000, -0.0021910200000000 ] - [ -0.0011462900000000, 0.0048443600000000, 0.0001800300000000 ] - [ 0.0011240400000000, 0.0003569000000000, 0.0005573800000000 ] - [ 0.0010665600000000, 0.0003671600000000, 0.0003695800000000 ] - [ 0.0013763100000000, 0.0024944300000000, -0.0012621100000000 ] - [ 0.0013606600000000, 0.0010561400000000, -0.0000133300000000 ] - [ 0.0014915100000000, -0.0002189700000000, -0.0002720400000000 ] - [ 0.0008619800000000, -0.0001049900000000, -0.0001816200000000 ] - [ 0.0010296600000000, 0.0002605000000000, 0.0008381600000000 ] - [ 0.0012763800000000, 0.0001628100000000, 0.0007761500000000 ] - [ 0.0012413700000000, -0.0002390000000000, 0.0001350400000000 ] - [ 0.0114333000000000, 0.0272714100000000, 0.0112628200000000 ] - [ -0.0010913000000000, -0.0025025000000000, 0.0019566800000000 ] - [ -0.0020367600000000, -0.0024973900000000, 0.0010387400000000 ] - [ -0.0012268200000000, -0.0009544100000000, 0.0010063700000000 ] - [ -0.0010331300000000, -0.0009493000000000, 0.0011344700000000 ] - [ -0.0036018500000000, -0.0066960700000000, -0.0014535600000000 ] - [ 0.0004046900000000, -0.0066677700000000, 0.0045080000000000 ] - [ 0.0011487300000000, 0.0014313900000000, 0.0001139000000000 ] - [ 0.0003197900000000, 0.0058843900000000, 0.0023100500000000 ] - [ 0.0013260600000000, 0.0007747800000000, 0.0004486300000000 ] - [ 0.0013108600000000, 0.0007917500000000, 0.0004488900000000 ] - [ 0.0009545100000000, 0.0014314100000000, 0.0002350400000000 ] - [ -0.0003511300000000, 0.0058558100000000, 0.0013168200000000 ] - [ 0.0006022100000000, 0.0014563900000000, -0.0005948900000000 ] - [ -0.0031332200000000, 0.0008219300000000, 0.0003609100000000 ] - [ -0.0013199100000000, -0.0001068500000000, 0.0001205800000000 ] - [ -0.0013245600000000, -0.0001065100000000, 0.0000833200000000 ] - [ -0.0006169000000000, 0.0008209700000000, -0.0021275400000000 ] - [ -0.0020034400000000, 0.0014527000000000, -0.0019633400000000 ] - [ 0.0000098000000000, 0.0001959000000000, -0.0031313000000000 ] - [ 0.0000572100000000, -0.0003376700000000, -0.0021180600000000 ] - [ -0.0013114500000000, -0.0004952300000000, 0.0000451000000000 ] - [ -0.0011775700000000, -0.0005693300000000, -0.0002490800000000 ] - [ -0.0015543800000000, 0.0060143800000000, 0.0035743000000000 ] - [ -0.0011576200000000, -0.0003009200000000, -0.0001081000000000 ] - [ 0.0172147800000000, -0.0044014100000000, 0.0170832200000000 ] - [ -0.0000191300000000, -0.0007168800000000, -0.0014068300000000 ] - [ 0.0015681500000000, 0.0000103700000000, 0.0005433900000000 ] - [ 0.0014608100000000, 0.0001933500000000, 0.0002619000000000 ] - [ 0.0007354400000000, -0.0035754700000000, -0.0015351400000000 ] - [ -0.0006031200000000, -0.0010731500000000, -0.0013337600000000 ] - [ -0.0014204900000000, 0.0024239700000000, 0.0009238300000000 ] - [ -0.0010961700000000, 0.0012259100000000, 0.0006319300000000 ] - [ -0.0001071600000000, 0.0014626000000000, 0.0023717800000000 ] - [ -0.0004056300000000, 0.0011847500000000, 0.0015542700000000 ] - [ -0.0022000300000000, 0.0036010100000000, -0.0001233600000000 ] - [ -0.0003442500000000, 0.0021609100000000, 0.0008117200000000 ] - [ 0.0001762700000000, -0.0008026100000000, 0.0035122500000000 ] - [ -0.0011933000000000, -0.0004688900000000, 0.0024635500000000 ] - [ 0.0008290700000000, -0.0007502900000000, 0.0008552400000000 ] - [ 0.0009246200000000, -0.0007270000000000, 0.0006829800000000 ] - [ 0.0188439400000000, 0.0113333000000000, -0.0122528900000000 ] - [ -0.0002078400000000, -0.0013421500000000, 0.0004955000000000 ] - [ 0.0031759100000000, -0.0005938600000000, -0.0007663700000000 ] - [ -0.0144766800000000, 0.0013356100000000, 0.0165990600000000 ] - [ 0.0005400100000000, 0.0004648100000000, 0.0012884300000000 ] - [ 0.0003264000000000, 0.0003463200000000, 0.0014922200000000 ] - [ 0.0023934300000000, -0.0010214500000000, -0.0013262800000000 ] - [ 0.0017821400000000, -0.0011711400000000, -0.0012344800000000 ] - [ -0.0023697700000000, 0.0004003600000000, -0.0013573000000000 ] - [ -0.0017896800000000, 0.0043721000000000, -0.0025000700000000 ] - [ -0.0006059500000000, -0.0008361700000000, 0.0013310100000000 ] - [ -0.0006640900000000, -0.0008249900000000, 0.0011503300000000 ] - [ -0.0022212600000000, 0.0006570400000000, 0.0010512800000000 ] - [ 0.0014489800000000, -0.0002208000000000, 0.0033705300000000 ] - [ 0.0022967600000000, -0.0013497600000000, -0.0007804200000000 ] - [ -0.0185304900000000, 0.0126703700000000, -0.0111347100000000 ] - [ 0.0029170400000000, 0.0002330000000000, 0.0018484900000000 ] - [ 0.0014175500000000, -0.0003761600000000, 0.0014367000000000 ] - [ 0.0010076100000000, -0.0005972700000000, -0.0005057200000000 ] - [ 0.0011619900000000, -0.0006963800000000, -0.0004415500000000 ] - [ -0.0017863500000000, 0.0028419000000000, -0.0009758700000000 ] - [ 0.0005801800000000, 0.0044851500000000, -0.0030916600000000 ] - [ -0.0005573900000000, 0.0012796700000000, -0.0010162700000000 ] - [ -0.0009106100000000, 0.0012633700000000, -0.0010951200000000 ] - [ -0.0021374500000000, 0.0015626600000000, 0.0003953300000000 ] - [ -0.0012200500000000, 0.0009673100000000, 0.0000191100000000 ] - [ 0.0011092400000000, -0.0020833100000000, 0.0017845300000000 ] - [ 0.0027320800000000, -0.0054519600000000, 0.0031322000000000 ] - [ 0.0010795400000000, -0.0003974000000000, -0.0017163400000000 ] - [ 0.0005556300000000, -0.0003054500000000, -0.0019145600000000 ] - [ 0.0022473300000000, -0.0022065800000000, -0.0001216000000000 ] - [ -0.0011121700000000, -0.0151170400000000, -0.0037348500000000 ] - [ -0.0102185700000000, -0.0016168500000000, -0.0074749900000000 ] - [ 0.0064707700000000, 0.0003115400000000, -0.0061928000000000 ] - [ -0.0009168000000000, 0.0005560300000000, -0.0013049100000000 ] - [ -0.0009013300000000, 0.0005479700000000, -0.0012608500000000 ] - [ -0.0090584800000000, 0.0091744600000000, 0.0083934300000000 ] - [ 0.0088739400000000, 0.0108333900000000, 0.0091608400000000 ] - [ 0.0208319000000000, 0.0660251400000000, 0.0253844800000000 ] - [ -0.0015151800000000, 0.0025855700000000, 0.0011074800000000 ] - [ -0.0003265900000000, 0.0016449900000000, -0.0037532300000000 ] - [ -0.0010912700000000, 0.0013945600000000, -0.0023352700000000 ] - [ -0.0019590400000000, 0.0017941700000000, 0.0009386300000000 ] - [ -0.0010754700000000, 0.0005131500000000, 0.0008165300000000 ] - [ 0.0018580900000000, -0.0116366900000000, 0.0063857700000000 ] - [ -0.0015938400000000, -0.0092394100000000, 0.0039519300000000 ] - [ 0.0006959000000000, -0.0007269800000000, -0.0009203500000000 ] - [ 0.0008604700000000, -0.0004291700000000, -0.0002923000000000 ] - [ 0.0042923900000000, -0.0049335600000000, -0.0050053000000000 ] - [ -0.0002678500000000, -0.0016796000000000, -0.0023090500000000 ] - [ 0.0032769200000000, 0.0041304800000000, 0.0030865200000000 ] - [ -0.0018319100000000, 0.0095018700000000, -0.0038658400000000 ] - [ -0.0004145100000000, 0.0011123200000000, -0.0002234600000000 ] - [ 0.0001500200000000, 0.0010481500000000, -0.0000608800000000 ] - [ 0.0016926700000000, 0.0016891700000000, -0.0012601300000000 ] - [ -0.0007446200000000, 0.0016444100000000, -0.0015507300000000 ] - [ -0.0016206400000000, -0.0031034300000000, 0.0005332700000000 ] - [ 0.0076986100000000, -0.0088105900000000, -0.0005826800000000 ] - [ -0.0001423500000000, -0.0009333300000000, -0.0013671000000000 ] - [ 0.0004198400000000, -0.0011242300000000, -0.0013691600000000 ] - [ -0.0001245200000000, -0.0014168100000000, -0.0001230700000000 ] - [ -0.0005541200000000, -0.0018885200000000, -0.0003196000000000 ] - [ 0.0016048200000000, 0.0051393500000000, 0.0003428500000000 ] - [ -0.0003960800000000, 0.0013936600000000, 0.0013528300000000 ] - [ -0.0001135900000000, 0.0008949200000000, -0.0018209800000000 ] - [ -0.0000237700000000, 0.0006023200000000, -0.0010272900000000 ] - [ -0.0092723200000000, 0.0254191500000000, 0.0240524100000000 ] - [ -0.0019840900000000, 0.0027746300000000, -0.0024241500000000 ] - [ -0.0040553900000000, -0.0064307000000000, -0.0046957900000000 ] - [ 0.0009429000000000, -0.0014569000000000, 0.0002453900000000 ] - [ 0.0000799100000000, -0.0007917300000000, -0.0005480300000000 ] - [ -0.0000491900000000, -0.0005994600000000, -0.0002195900000000 ] - [ 0.0013834800000000, -0.0061638000000000, 0.0043833800000000 ] - [ 0.0007908600000000, -0.0019483200000000, 0.0007522100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0106078800000000, 0.1815071900000000, 0.0842429600000000 ] - [ -0.0011007600000000, 0.0024414900000000, 0.0007195000000000 ] - [ -0.0012829000000000, 0.0011223600000000, -0.0001444300000000 ] - [ -0.0014399400000000, 0.0009204000000000, 0.0002156000000000 ] - [ -0.0011792100000000, 0.0011247500000000, -0.0004639200000000 ] - [ -0.0008069200000000, 0.0009236800000000, -0.0002363900000000 ] - [ 0.0085691800000000, -0.0104010000000000, 0.0041401300000000 ] - [ -0.0063822000000000, -0.0068584100000000, -0.0043673400000000 ] - [ 0.0011457500000000, 0.0002307600000000, -0.0004990200000000 ] - [ 0.0014187900000000, 0.0002339300000000, -0.0001497500000000 ] - [ 0.0015682400000000, 0.0002340900000000, -0.0016852700000000 ] - [ 0.0009227500000000, 0.0002392200000000, -0.0009808800000000 ] - [ 0.0082528000000000, -0.0327067200000000, -0.0135162300000000 ] - [ -0.0013376100000000, 0.0000063700000000, 0.0004188800000000 ] - [ -0.0012000900000000, -0.0007067000000000, -0.0005987700000000 ] - [ -0.0014066300000000, -0.0005023500000000, -0.0004436300000000 ] - [ -0.0010831600000000, -0.0002616600000000, 0.0009022100000000 ] - [ -0.0011640800000000, -0.0003412900000000, 0.0002919200000000 ] - [ 0.0010815400000000, -0.0046762700000000, 0.0026314700000000 ] - [ 0.0036262600000000, -0.0047624100000000, 0.0002846300000000 ] - [ 0.0013710500000000, -0.0003234300000000, -0.0000211200000000 ] - [ 0.0014303700000000, -0.0003344900000000, 0.0001629800000000 ] - [ 0.0011401700000000, -0.0024414000000000, 0.0017633600000000 ] - [ 0.0011450000000000, -0.0010239700000000, 0.0005337800000000 ] - [ 0.0010203900000000, 0.0001915000000000, 0.0007871600000000 ] - [ 0.0016379200000000, 0.0000727200000000, 0.0006992300000000 ] - [ 0.0014698400000000, -0.0002926100000000, -0.0003716200000000 ] - [ 0.0012258400000000, -0.0001838100000000, -0.0003072200000000 ] - [ 0.0012668700000000, 0.0002219700000000, 0.0003938100000000 ] - [ -0.0091832000000000, -0.0277638800000000, -0.0109580600000000 ] - [ -0.0014145000000000, 0.0025019000000000, -0.0014181700000000 ] - [ -0.0004769600000000, 0.0025072000000000, -0.0005189000000000 ] - [ -0.0012728100000000, 0.0009740600000000, -0.0005382000000000 ] - [ -0.0014644100000000, 0.0009789500000000, -0.0006661800000000 ] - [ 0.0009768500000000, 0.0066524700000000, 0.0020196100000000 ] - [ -0.0028063200000000, 0.0066793900000000, -0.0039356400000000 ] - [ 0.0013690300000000, -0.0013947600000000, -0.0006281600000000 ] - [ 0.0021687000000000, -0.0057909700000000, -0.0028022600000000 ] - [ 0.0011707800000000, -0.0007364300000000, -0.0009715400000000 ] - [ 0.0011895000000000, -0.0007571600000000, -0.0009757700000000 ] - [ 0.0015466500000000, -0.0013943100000000, -0.0006944000000000 ] - [ 0.0028493200000000, -0.0058177800000000, -0.0017949900000000 ] - [ -0.0030942400000000, -0.0014744300000000, 0.0000719900000000 ] - [ 0.0006060300000000, -0.0008522200000000, -0.0008714100000000 ] - [ -0.0011753800000000, 0.0000704600000000, -0.0006464200000000 ] - [ -0.0011746500000000, 0.0000711700000000, -0.0006090300000000 ] - [ -0.0018657300000000, -0.0008540000000000, 0.0016454800000000 ] - [ -0.0005031200000000, -0.0014786500000000, 0.0014890800000000 ] - [ -0.0019130000000000, -0.0015030100000000, 0.0017664000000000 ] - [ -0.0019455400000000, -0.0009698800000000, 0.0007473300000000 ] - [ -0.0005959500000000, -0.0008125100000000, -0.0013021800000000 ] - [ -0.0007257500000000, -0.0007429300000000, -0.0010096500000000 ] - [ -0.0003219400000000, -0.0072071200000000, -0.0048409600000000 ] - [ -0.0007538900000000, -0.0009809500000000, -0.0011859700000000 ] - [ -0.0151175000000000, 0.0054993800000000, -0.0182623800000000 ] - [ 0.0019162300000000, 0.0020230100000000, 0.0000422900000000 ] - [ 0.0003404100000000, 0.0012967600000000, -0.0017967300000000 ] - [ 0.0004477300000000, 0.0011149000000000, -0.0015138800000000 ] - [ 0.0011580900000000, 0.0048293700000000, 0.0002418100000000 ] - [ 0.0025079000000000, 0.0023370200000000, 0.0000333000000000 ] - [ -0.0004897500000000, -0.0010896200000000, 0.0004359900000000 ] - [ -0.0008025400000000, 0.0000951100000000, 0.0007266900000000 ] - [ -0.0017915500000000, -0.0001667200000000, -0.0010500700000000 ] - [ -0.0014980700000000, 0.0001062400000000, -0.0002434000000000 ] - [ 0.0003031300000000, -0.0022783700000000, 0.0013791300000000 ] - [ -0.0015505800000000, -0.0008322400000000, 0.0004538500000000 ] - [ 0.0017174000000000, -0.0005191400000000, -0.0021284500000000 ] - [ 0.0030837100000000, -0.0008477000000000, -0.0010952500000000 ] - [ 0.0010745400000000, -0.0005406100000000, 0.0004576300000000 ] - [ 0.0009782100000000, -0.0005702500000000, 0.0006250400000000 ] - [ -0.0165905600000000, -0.0124263600000000, 0.0132471300000000 ] - [ 0.0021102000000000, 0.0000179700000000, 0.0007629900000000 ] - [ -0.0012452600000000, 0.0018735000000000, 0.0020540300000000 ] - [ 0.0162574500000000, -0.0001400200000000, -0.0151817900000000 ] - [ 0.0013609600000000, 0.0008463700000000, -0.0000199400000000 ] - [ 0.0015638100000000, 0.0009664100000000, -0.0002162200000000 ] - [ -0.0004774200000000, 0.0023111800000000, 0.0026663800000000 ] - [ 0.0001414600000000, 0.0024458000000000, 0.0026097600000000 ] - [ 0.0004619900000000, -0.0016740800000000, 0.0026522500000000 ] - [ -0.0001223800000000, -0.0055792200000000, 0.0037593200000000 ] - [ -0.0012966100000000, -0.0004737300000000, -0.0000628700000000 ] - [ -0.0012349000000000, -0.0004897900000000, 0.0001154700000000 ] - [ 0.0003124300000000, -0.0019645900000000, 0.0003107100000000 ] - [ -0.0033575400000000, -0.0010914200000000, -0.0020215300000000 ] - [ -0.0003706600000000, 0.0000221300000000, -0.0004806300000000 ] - [ 0.0201473600000000, -0.0138089900000000, 0.0097176500000000 ] - [ -0.0009925100000000, -0.0015156700000000, -0.0031322300000000 ] - [ 0.0004836200000000, -0.0009183200000000, -0.0027330700000000 ] - [ 0.0008975600000000, -0.0007169600000000, -0.0008490600000000 ] - [ 0.0007439300000000, -0.0006234100000000, -0.0009057500000000 ] - [ -0.0001095700000000, -0.0015098600000000, -0.0003023000000000 ] - [ -0.0024889800000000, -0.0031486100000000, 0.0018253900000000 ] - [ -0.0013479200000000, 0.0000131400000000, -0.0002888100000000 ] - [ -0.0009961600000000, 0.0000298700000000, -0.0002145400000000 ] - [ 0.0002257800000000, -0.0002385000000000, -0.0017423700000000 ] - [ -0.0006863900000000, 0.0003435500000000, -0.0013708000000000 ] - [ 0.0007467100000000, 0.0020680200000000, -0.0017727300000000 ] - [ -0.0008219300000000, 0.0053972800000000, -0.0030989500000000 ] - [ 0.0007935800000000, 0.0003950800000000, 0.0016885400000000 ] - [ 0.0013078900000000, 0.0003037300000000, 0.0018836900000000 ] - [ -0.0003805600000000, 0.0021754500000000, 0.0001364700000000 ] - [ 0.0029358400000000, 0.0151023300000000, 0.0038003200000000 ] - [ 0.0082622800000000, 0.0015948400000000, 0.0074047800000000 ] - [ -0.0083033600000000, -0.0002842700000000, 0.0061698700000000 ] - [ -0.0009546400000000, -0.0005467600000000, 0.0012732600000000 ] - [ -0.0009712000000000, -0.0005498900000000, 0.0012285600000000 ] - [ 0.0070849300000000, -0.0089797500000000, -0.0082918400000000 ] - [ -0.0107385000000000, -0.0106661300000000, -0.0090944600000000 ] - [ -0.0216551200000000, -0.0610399100000000, -0.0226014400000000 ] - [ -0.0003732100000000, -0.0025502800000000, -0.0011043900000000 ] - [ -0.0015286700000000, -0.0016348500000000, 0.0037349400000000 ] - [ -0.0007820500000000, -0.0013807900000000, 0.0023322100000000 ] - [ 0.0001016500000000, -0.0017576600000000, -0.0009691200000000 ] - [ -0.0007952500000000, -0.0004987100000000, -0.0008216100000000 ] - [ 0.0000045700000000, 0.0115558100000000, -0.0063599300000000 ] - [ 0.0034442700000000, 0.0091316400000000, -0.0039468400000000 ] - [ 0.0011781900000000, 0.0007215700000000, 0.0009224900000000 ] - [ 0.0010080800000000, 0.0004243900000000, 0.0003061600000000 ] - [ -0.0023869000000000, 0.0048842400000000, 0.0049545500000000 ] - [ 0.0021409000000000, 0.0016644100000000, 0.0023025900000000 ] - [ -0.0032392000000000, -0.0041332900000000, -0.0023647700000000 ] - [ 0.0010777300000000, -0.0099485400000000, 0.0047415800000000 ] - [ 0.0004103500000000, -0.0011043200000000, 0.0008915800000000 ] - [ -0.0001454800000000, -0.0010440400000000, 0.0007319900000000 ] - [ -0.0016895200000000, -0.0016788200000000, 0.0019192700000000 ] - [ 0.0007340000000000, -0.0016518900000000, 0.0022029500000000 ] - [ 0.0015898700000000, 0.0030767200000000, -0.0012076000000000 ] - [ -0.0076084500000000, 0.0087329800000000, -0.0000950500000000 ] - [ 0.0001406600000000, 0.0009274000000000, 0.0006860800000000 ] - [ -0.0004141600000000, 0.0011167500000000, 0.0006902300000000 ] - [ 0.0001184300000000, 0.0014076200000000, -0.0005381500000000 ] - [ 0.0005579200000000, 0.0018833800000000, -0.0003450300000000 ] - [ -0.0015820900000000, -0.0051095300000000, -0.0009978200000000 ] - [ 0.0003921000000000, -0.0013850300000000, -0.0020080200000000 ] - [ 0.0001152100000000, -0.0008908900000000, 0.0011339900000000 ] - [ 0.0000239900000000, -0.0005996300000000, 0.0003476400000000 ] - [ 0.0099876700000000, -0.0261664800000000, -0.0259709900000000 ] - [ 0.0019433200000000, -0.0027720000000000, 0.0017261400000000 ] - [ 0.0040247800000000, 0.0063675200000000, 0.0053094400000000 ] - [ -0.0009400500000000, 0.0014454600000000, 0.0004223800000000 ] - [ -0.0000816700000000, 0.0007871600000000, 0.0012094800000000 ] - [ 0.0000487500000000, 0.0005982300000000, 0.0008842600000000 ] - [ -0.0013702200000000, 0.0061070000000000, -0.0036501900000000 ] - [ -0.0007851200000000, 0.0019384200000000, -0.0000752600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0279104100000000, -0.0850599000000000, -0.1104079100000000 ] - [ -0.0021353100000000, -0.0009746100000000, -0.0009697800000000 ] - [ -0.0014476700000000, 0.0002188500000000, 0.0009426700000000 ] - [ -0.0013846600000000, -0.0000134400000000, 0.0002342600000000 ] - [ -0.0010566300000000, -0.0000723400000000, 0.0009106500000000 ] - [ -0.0019361800000000, -0.0004319200000000, 0.0002060200000000 ] - [ -0.0010444500000000, 0.0044127700000000, -0.0101914800000000 ] - [ -0.0045726100000000, -0.0041473800000000, -0.0047077500000000 ] - [ 0.0018036200000000, -0.0014478600000000, 0.0013945200000000 ] - [ 0.0010628500000000, -0.0007380900000000, 0.0003330300000000 ] - [ 0.0008900500000000, -0.0002873300000000, 0.0013602300000000 ] - [ 0.0017928300000000, 0.0000706700000000, 0.0003064000000000 ] - [ -0.0055564100000000, 0.0137495400000000, 0.0086941400000000 ] - [ -0.0015265000000000, -0.0002050900000000, -0.0004332600000000 ] - [ -0.0011197900000000, 0.0008539100000000, 0.0014234700000000 ] - [ -0.0012117200000000, 0.0007005500000000, 0.0011604600000000 ] - [ -0.0010683400000000, -0.0006556000000000, 0.0002082800000000 ] - [ -0.0015948500000000, -0.0000486400000000, 0.0000710700000000 ] - [ 0.0013382600000000, 0.0024191500000000, -0.0015190800000000 ] - [ 0.0007885300000000, 0.0000642100000000, -0.0000643700000000 ] - [ 0.0011335300000000, -0.0002724300000000, 0.0010027800000000 ] - [ 0.0010478000000000, -0.0000872500000000, 0.0007455900000000 ] - [ 0.0008725500000000, 0.0015224400000000, -0.0002351800000000 ] - [ 0.0015483600000000, 0.0002856900000000, 0.0000571300000000 ] - [ 0.0009199400000000, -0.0005435200000000, 0.0001762800000000 ] - [ 0.0008606700000000, -0.0004607800000000, 0.0007411700000000 ] - [ 0.0008159100000000, 0.0005844100000000, 0.0012667700000000 ] - [ 0.0013508000000000, 0.0005275800000000, 0.0011620300000000 ] - [ 0.0002343600000000, -0.0001412000000000, -0.0002243100000000 ] - [ 0.0069543700000000, 0.0110900100000000, -0.0004669200000000 ] - [ -0.0002285800000000, -0.0007636700000000, 0.0018186700000000 ] - [ -0.0020575500000000, -0.0016776100000000, 0.0018199200000000 ] - [ -0.0012968700000000, -0.0008848900000000, 0.0012934400000000 ] - [ -0.0009331800000000, -0.0007538900000000, 0.0012951400000000 ] - [ -0.0067604400000000, -0.0041904600000000, -0.0023442500000000 ] - [ 0.0027925000000000, 0.0017566300000000, -0.0023496800000000 ] - [ 0.0008404700000000, 0.0004758600000000, -0.0004829100000000 ] - [ 0.0008274800000000, 0.0015611900000000, -0.0000206700000000 ] - [ 0.0012532100000000, 0.0007260900000000, 0.0005394100000000 ] - [ 0.0014931500000000, 0.0007264900000000, 0.0006924400000000 ] - [ 0.0008403300000000, 0.0003808000000000, -0.0004525700000000 ] - [ 0.0012388100000000, 0.0025743000000000, 0.0000195500000000 ] - [ -0.0000943300000000, 0.0017160900000000, -0.0009757000000000 ] - [ -0.0025420200000000, 0.0018801700000000, -0.0006473300000000 ] - [ -0.0014205500000000, -0.0003613100000000, 0.0004697200000000 ] - [ -0.0012892800000000, -0.0003981700000000, 0.0004705600000000 ] - [ -0.0012340600000000, -0.0006285300000000, -0.0006100800000000 ] - [ -0.0010924400000000, 0.0003138800000000, -0.0009378200000000 ] - [ 0.0007616800000000, -0.0013923200000000, -0.0028884600000000 ] - [ -0.0014198500000000, -0.0008106200000000, -0.0007741500000000 ] - [ -0.0015248300000000, -0.0004157900000000, 0.0005959100000000 ] - [ -0.0015882800000000, -0.0004676400000000, 0.0003074200000000 ] - [ 0.0006266900000000, 0.0090199500000000, 0.0039429700000000 ] - [ -0.0011884200000000, -0.0005928400000000, -0.0008041200000000 ] - [ 0.0143143000000000, 0.0058578300000000, 0.0129389400000000 ] - [ -0.0014235400000000, 0.0010508900000000, -0.0022419000000000 ] - [ 0.0018603300000000, 0.0000929900000000, 0.0010445500000000 ] - [ 0.0017703000000000, 0.0002919900000000, 0.0007741700000000 ] - [ 0.0004225800000000, -0.0031851000000000, 0.0010257100000000 ] - [ 0.0007860700000000, 0.0006370900000000, -0.0010597600000000 ] - [ -0.0005507900000000, 0.0011441300000000, 0.0013928000000000 ] - [ -0.0011083300000000, 0.0009541900000000, 0.0008937700000000 ] - [ 0.0002981100000000, 0.0014753300000000, 0.0029988400000000 ] - [ -0.0006336200000000, 0.0009720400000000, 0.0013122800000000 ] - [ -0.0015866400000000, 0.0018282600000000, -0.0006557200000000 ] - [ -0.0025582300000000, 0.0000462600000000, -0.0008927900000000 ] - [ 0.0004368900000000, -0.0005022000000000, 0.0027418200000000 ] - [ -0.0017696000000000, 0.0000745000000000, 0.0029008700000000 ] - [ -0.0000633000000000, -0.0012314000000000, 0.0023539700000000 ] - [ 0.0006249500000000, -0.0008763900000000, 0.0012550200000000 ] - [ 0.0056990900000000, -0.0016088300000000, -0.0087689900000000 ] - [ 0.0017837000000000, -0.0006799900000000, -0.0007177600000000 ] - [ 0.0025740500000000, -0.0000841800000000, -0.0009431100000000 ] - [ -0.0158337200000000, 0.0114864100000000, 0.0184171800000000 ] - [ 0.0000522900000000, 0.0008203300000000, 0.0019462200000000 ] - [ 0.0001510000000000, 0.0007914600000000, 0.0021292800000000 ] - [ 0.0002580700000000, 0.0000008000000000, 0.0008192300000000 ] - [ 0.0034068100000000, -0.0016805000000000, 0.0015453000000000 ] - [ -0.0022440300000000, 0.0002578000000000, -0.0012361200000000 ] - [ -0.0012117300000000, -0.0032090600000000, 0.0012710000000000 ] - [ -0.0002955900000000, -0.0010357900000000, 0.0018561200000000 ] - [ -0.0003508000000000, -0.0010544400000000, 0.0017380600000000 ] - [ -0.0032142700000000, 0.0011337200000000, 0.0001471200000000 ] - [ 0.0005903300000000, -0.0005216600000000, 0.0015221200000000 ] - [ -0.0004018000000000, -0.0014597700000000, -0.0024016900000000 ] - [ -0.0007851200000000, -0.0033202200000000, -0.0066808300000000 ] - [ 0.0025120200000000, 0.0003068800000000, 0.0015128800000000 ] - [ 0.0020182300000000, 0.0001902300000000, 0.0019161200000000 ] - [ 0.0010646300000000, -0.0005419100000000, -0.0000798500000000 ] - [ 0.0021460200000000, -0.0008988300000000, 0.0009339300000000 ] - [ -0.0010860800000000, 0.0016486400000000, -0.0014782200000000 ] - [ 0.0014113800000000, 0.0019672600000000, -0.0031974200000000 ] - [ -0.0009113900000000, 0.0007351900000000, -0.0005769800000000 ] - [ -0.0014653900000000, 0.0005702200000000, 0.0000355300000000 ] - [ -0.0025757800000000, 0.0012806600000000, 0.0010167400000000 ] - [ -0.0010129900000000, 0.0006325700000000, -0.0000697700000000 ] - [ 0.0020630600000000, -0.0003556600000000, 0.0009031400000000 ] - [ -0.0003416300000000, 0.0002124100000000, -0.0005772300000000 ] - [ 0.0015284800000000, -0.0002241300000000, -0.0025753500000000 ] - [ -0.0000117400000000, -0.0001446200000000, -0.0028448700000000 ] - [ 0.0039039600000000, -0.0017387000000000, 0.0026841000000000 ] - [ -0.0036083300000000, -0.0065398600000000, 0.0022531100000000 ] - [ -0.0079400100000000, -0.0023539800000000, -0.0049297800000000 ] - [ 0.0071920900000000, -0.0034666400000000, -0.0070407400000000 ] - [ -0.0002865900000000, 0.0001467000000000, -0.0028337100000000 ] - [ -0.0014346100000000, 0.0000730700000000, -0.0028972700000000 ] - [ 0.0002961100000000, 0.0070537400000000, 0.0027415700000000 ] - [ -0.0037721500000000, 0.0032486500000000, 0.0039585800000000 ] - [ 0.0071965800000000, 0.0254968400000000, 0.0292645400000000 ] - [ 0.0001775100000000, -0.0002403200000000, 0.0040648000000000 ] - [ -0.0013067100000000, 0.0003706400000000, -0.0043180800000000 ] - [ -0.0005739700000000, 0.0005948400000000, -0.0032500600000000 ] - [ -0.0020942500000000, 0.0033260100000000, -0.0043826300000000 ] - [ -0.0002074800000000, 0.0007385300000000, -0.0005062000000000 ] - [ 0.0003400400000000, -0.0056436100000000, 0.0057436200000000 ] - [ 0.0020934300000000, 0.0039153600000000, 0.0017056100000000 ] - [ 0.0007041200000000, 0.0006001900000000, -0.0022070400000000 ] - [ 0.0013708100000000, 0.0000444000000000, -0.0016561000000000 ] - [ 0.0051463300000000, -0.0047914600000000, -0.0061686100000000 ] - [ 0.0000386800000000, -0.0007615000000000, -0.0009540000000000 ] - [ 0.0026333400000000, 0.0010760400000000, 0.0040185300000000 ] - [ -0.0088573500000000, 0.0011524700000000, 0.0222393800000000 ] - [ -0.0004359600000000, 0.0007453400000000, -0.0008691500000000 ] - [ 0.0001392000000000, 0.0008579400000000, -0.0014961900000000 ] - [ 0.0022357100000000, 0.0009051400000000, -0.0017972600000000 ] - [ -0.0017485200000000, -0.0001625900000000, -0.0016064500000000 ] - [ -0.0003382200000000, -0.0010466700000000, 0.0013015200000000 ] - [ 0.0023582900000000, -0.0025828000000000, 0.0024121300000000 ] - [ 0.0000550200000000, -0.0006399400000000, -0.0014886000000000 ] - [ 0.0001890700000000, -0.0007579900000000, -0.0017645400000000 ] - [ 0.0006876700000000, -0.0005124700000000, -0.0006098300000000 ] - [ -0.0008889000000000, -0.0003626400000000, -0.0007817700000000 ] - [ -0.0003375500000000, 0.0043653100000000, -0.0045629800000000 ] - [ 0.0012921500000000, 0.0010047700000000, -0.0007197700000000 ] - [ -0.0001164800000000, 0.0004471800000000, -0.0027273000000000 ] - [ 0.0000993600000000, 0.0002597400000000, -0.0014746100000000 ] - [ -0.0223554000000000, 0.0208920200000000, 0.0511766800000000 ] - [ 0.0006211000000000, -0.0016423900000000, 0.0014435400000000 ] - [ -0.0021025700000000, -0.0033216900000000, -0.0013396900000000 ] - [ 0.0010764200000000, -0.0009118600000000, 0.0003215000000000 ] - [ -0.0000220700000000, -0.0003800200000000, -0.0012427100000000 ] - [ -0.0000133500000000, -0.0002880700000000, -0.0006090900000000 ] - [ 0.0004397500000000, -0.0015308900000000, 0.0021969400000000 ] - [ 0.0001438000000000, -0.0001903900000000, 0.0012093600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0316726200000000, 0.0856508800000000, 0.1112681000000000 ] - [ -0.0003532100000000, 0.0010091900000000, 0.0004387300000000 ] - [ -0.0010564400000000, -0.0001944300000000, -0.0014047400000000 ] - [ -0.0011197700000000, 0.0000339800000000, -0.0007011300000000 ] - [ -0.0014587100000000, 0.0000996500000000, -0.0014371800000000 ] - [ -0.0005653100000000, 0.0004660400000000, -0.0007295800000000 ] - [ 0.0035551700000000, -0.0044825100000000, 0.0097714600000000 ] - [ 0.0070616900000000, 0.0041046000000000, 0.0041811500000000 ] - [ 0.0006925400000000, 0.0014115600000000, -0.0018564500000000 ] - [ 0.0014398500000000, 0.0007083000000000, -0.0007985100000000 ] - [ 0.0016214000000000, 0.0002552300000000, -0.0018908700000000 ] - [ 0.0007151900000000, -0.0000953100000000, -0.0008255400000000 ] - [ 0.0030798300000000, -0.0139270200000000, -0.0082295500000000 ] - [ -0.0009709400000000, 0.0001742700000000, 0.0008943800000000 ] - [ -0.0013800800000000, -0.0008813900000000, -0.0008948400000000 ] - [ -0.0012894700000000, -0.0007247400000000, -0.0006266600000000 ] - [ -0.0014472300000000, 0.0006433600000000, 0.0003164700000000 ] - [ -0.0009088100000000, 0.0000200600000000, 0.0004495400000000 ] - [ 0.0011564800000000, -0.0024042600000000, 0.0019895100000000 ] - [ 0.0017313000000000, -0.0000409800000000, 0.0005179700000000 ] - [ 0.0013626700000000, 0.0003054000000000, -0.0004740900000000 ] - [ 0.0014509000000000, 0.0001183500000000, -0.0002154800000000 ] - [ 0.0016376300000000, -0.0015034300000000, 0.0007610800000000 ] - [ 0.0009593600000000, -0.0002623300000000, 0.0004679800000000 ] - [ 0.0015898200000000, 0.0005157400000000, 0.0003419900000000 ] - [ 0.0016455400000000, 0.0004209300000000, -0.0002269500000000 ] - [ 0.0016883600000000, -0.0006252300000000, -0.0008126400000000 ] - [ 0.0011496800000000, -0.0005552100000000, -0.0007020000000000 ] - [ 0.0022745100000000, 0.0001172700000000, 0.0007557700000000 ] - [ -0.0044924500000000, -0.0111285900000000, 0.0010889500000000 ] - [ -0.0022815700000000, 0.0007922100000000, -0.0013018000000000 ] - [ -0.0004524500000000, 0.0016952200000000, -0.0013003700000000 ] - [ -0.0012026900000000, 0.0009150300000000, -0.0008369300000000 ] - [ -0.0015672600000000, 0.0007905300000000, -0.0008351400000000 ] - [ 0.0042977500000000, 0.0042542100000000, 0.0029126700000000 ] - [ -0.0052632800000000, -0.0017170100000000, 0.0029074900000000 ] - [ 0.0016770100000000, -0.0004545300000000, -0.0000397500000000 ] - [ 0.0016788100000000, -0.0015521200000000, -0.0005146800000000 ] - [ 0.0012430000000000, -0.0006944100000000, -0.0010699800000000 ] - [ 0.0010053600000000, -0.0006979700000000, -0.0012268900000000 ] - [ 0.0016669600000000, -0.0003607300000000, -0.0000088000000000 ] - [ 0.0012541300000000, -0.0025375900000000, -0.0004742100000000 ] - [ -0.0024232900000000, -0.0017344700000000, 0.0004529300000000 ] - [ 0.0000339400000000, -0.0018901500000000, 0.0001146200000000 ] - [ -0.0010732400000000, 0.0003312800000000, -0.0010037500000000 ] - [ -0.0012101200000000, 0.0003685400000000, -0.0010021700000000 ] - [ -0.0012642500000000, 0.0006045900000000, 0.0001527700000000 ] - [ -0.0014048600000000, -0.0003530800000000, 0.0004914100000000 ] - [ -0.0026760200000000, 0.0000798400000000, 0.0015399300000000 ] - [ -0.0004717400000000, -0.0005047300000000, -0.0005883700000000 ] - [ -0.0003778000000000, -0.0008960800000000, -0.0018644100000000 ] - [ -0.0003112900000000, -0.0008469300000000, -0.0015721800000000 ] - [ -0.0025598600000000, -0.0103503500000000, -0.0052624600000000 ] - [ -0.0007149500000000, -0.0006961000000000, -0.0004972200000000 ] - [ -0.0123218400000000, -0.0044510800000000, -0.0142406800000000 ] - [ 0.0033217900000000, 0.0002652500000000, 0.0008786700000000 ] - [ 0.0000407400000000, 0.0012208200000000, -0.0023137100000000 ] - [ 0.0001328400000000, 0.0010205000000000, -0.0020348100000000 ] - [ 0.0014940500000000, 0.0044955200000000, -0.0023566600000000 ] - [ 0.0011406400000000, 0.0006481300000000, -0.0002250800000000 ] - [ -0.0013589500000000, 0.0001671900000000, -0.0000452700000000 ] - [ -0.0007903900000000, 0.0003608400000000, 0.0004624100000000 ] - [ -0.0022106800000000, -0.0001899100000000, -0.0017013100000000 ] - [ -0.0012706600000000, 0.0003159900000000, -0.0000046900000000 ] - [ -0.0003249100000000, -0.0005204000000000, 0.0019121600000000 ] - [ 0.0006653500000000, 0.0012646600000000, 0.0021618400000000 ] - [ 0.0014669600000000, -0.0008119100000000, -0.0013948400000000 ] - [ 0.0036598100000000, -0.0013798000000000, -0.0015390600000000 ] - [ 0.0019773700000000, -0.0000482000000000, -0.0010618600000000 ] - [ 0.0012785500000000, -0.0004164400000000, 0.0000517800000000 ] - [ -0.0037881100000000, 0.0002982800000000, 0.0100256900000000 ] - [ 0.0001315600000000, -0.0006301600000000, 0.0019778400000000 ] - [ -0.0006720200000000, 0.0013771600000000, 0.0022476500000000 ] - [ 0.0175191600000000, -0.0099962600000000, -0.0168941200000000 ] - [ 0.0018541500000000, 0.0004914300000000, -0.0006878500000000 ] - [ 0.0017480500000000, 0.0005228500000000, -0.0008659700000000 ] - [ 0.0016526900000000, 0.0013143500000000, 0.0005358500000000 ] - [ -0.0015475100000000, 0.0030281700000000, -0.0002000300000000 ] - [ 0.0003476300000000, -0.0015529800000000, 0.0025497500000000 ] - [ -0.0006925300000000, 0.0019411600000000, 0.0000236700000000 ] - [ -0.0016120100000000, -0.0002727700000000, -0.0005982000000000 ] - [ -0.0015524100000000, -0.0002591600000000, -0.0004798800000000 ] - [ 0.0013299800000000, -0.0024700900000000, 0.0012120400000000 ] - [ -0.0024905500000000, -0.0007962600000000, -0.0001556500000000 ] - [ 0.0023134600000000, 0.0001524400000000, 0.0011502700000000 ] - [ 0.0027896200000000, 0.0019034900000000, 0.0054857200000000 ] - [ -0.0006055400000000, -0.0015930600000000, -0.0028167800000000 ] - [ -0.0001131400000000, -0.0014782800000000, -0.0032196700000000 ] - [ 0.0008433800000000, -0.0007701100000000, -0.0012764500000000 ] - [ -0.0002523000000000, -0.0004100400000000, -0.0022989600000000 ] - [ -0.0008177400000000, -0.0003352600000000, 0.0002166500000000 ] - [ -0.0033173800000000, -0.0006650000000000, 0.0019433500000000 ] - [ -0.0009985900000000, 0.0005513100000000, -0.0007278800000000 ] - [ -0.0004349000000000, 0.0007194000000000, -0.0013486200000000 ] - [ 0.0006772100000000, 0.0000312300000000, -0.0023768900000000 ] - [ -0.0008940700000000, 0.0006747200000000, -0.0012820700000000 ] - [ -0.0002091500000000, 0.0003651300000000, -0.0009041100000000 ] - [ 0.0022214800000000, -0.0002006900000000, 0.0005959900000000 ] - [ 0.0003405200000000, 0.0002307100000000, 0.0025671500000000 ] - [ 0.0018868300000000, 0.0001491900000000, 0.0028345500000000 ] - [ -0.0020592700000000, 0.0017518500000000, -0.0026865500000000 ] - [ 0.0055039700000000, 0.0065317400000000, -0.0022670900000000 ] - [ 0.0060924500000000, 0.0023457600000000, 0.0049367900000000 ] - [ -0.0090357500000000, 0.0034467400000000, 0.0070329500000000 ] - [ -0.0015933100000000, -0.0001443900000000, 0.0028255500000000 ] - [ -0.0004325400000000, -0.0000793200000000, 0.0028848500000000 ] - [ -0.0021819400000000, -0.0070793000000000, -0.0027474400000000 ] - [ 0.0018779300000000, -0.0032815000000000, -0.0040498600000000 ] - [ -0.0088971900000000, -0.0243703900000000, -0.0293512800000000 ] - [ -0.0020610500000000, 0.0002363700000000, -0.0040778900000000 ] - [ -0.0005656900000000, -0.0003769800000000, 0.0043411500000000 ] - [ -0.0012915200000000, -0.0005932100000000, 0.0032658100000000 ] - [ 0.0002467900000000, -0.0033561600000000, 0.0044087700000000 ] - [ -0.0016713100000000, -0.0007386900000000, 0.0004939900000000 ] - [ 0.0015476900000000, 0.0056862200000000, -0.0057805400000000 ] - [ -0.0002402000000000, -0.0039093300000000, -0.0017301300000000 ] - [ 0.0011771600000000, -0.0005930200000000, 0.0022308800000000 ] - [ 0.0004961700000000, -0.0000414800000000, 0.0016795800000000 ] - [ -0.0032768700000000, 0.0048178100000000, 0.0061828600000000 ] - [ 0.0018240900000000, 0.0007614100000000, 0.0009487300000000 ] - [ -0.0026386100000000, -0.0010861400000000, -0.0033614000000000 ] - [ 0.0085858800000000, -0.0013591100000000, -0.0215709300000000 ] - [ 0.0004377600000000, -0.0007450400000000, 0.0015458700000000 ] - [ -0.0001396800000000, -0.0008555400000000, 0.0021725900000000 ] - [ -0.0022649100000000, -0.0009095100000000, 0.0024899000000000 ] - [ 0.0017595100000000, 0.0001652300000000, 0.0022770800000000 ] - [ 0.0003389300000000, 0.0010490600000000, -0.0019816200000000 ] - [ -0.0023963200000000, 0.0026085100000000, -0.0030676600000000 ] - [ -0.0000522700000000, 0.0006387600000000, 0.0008222800000000 ] - [ -0.0001878700000000, 0.0007545100000000, 0.0010985300000000 ] - [ -0.0006940200000000, 0.0005157400000000, -0.0000560800000000 ] - [ 0.0008975600000000, 0.0003623500000000, 0.0001030700000000 ] - [ 0.0003400900000000, -0.0043620800000000, 0.0038939800000000 ] - [ -0.0012940200000000, -0.0010035200000000, 0.0000552900000000 ] - [ 0.0001207100000000, -0.0004474100000000, 0.0020630700000000 ] - [ -0.0001000600000000, -0.0002586100000000, 0.0008026500000000 ] - [ 0.0237177600000000, -0.0223875800000000, -0.0535946300000000 ] - [ -0.0006474500000000, 0.0016309300000000, -0.0021179700000000 ] - [ 0.0021328000000000, 0.0033355300000000, 0.0020384700000000 ] - [ -0.0010832500000000, 0.0009072300000000, 0.0003538000000000 ] - [ 0.0000204900000000, 0.0003780700000000, 0.0019182300000000 ] - [ 0.0000132900000000, 0.0002887500000000, 0.0012773100000000 ] - [ -0.0004292000000000, 0.0015326900000000, -0.0015340000000000 ] - [ -0.0001544100000000, 0.0001964000000000, -0.0005404600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0033221400000000, 0.0009717400000000, 0.0014527200000000 ] - [ 0.0005314900000000, 0.0010180800000000, -0.0007377000000000 ] - [ -0.0031879400000000, -0.0006163200000000, 0.0013333800000000 ] - [ -0.0007186200000000, -0.0001876800000000, -0.0004645900000000 ] - [ -0.0013900000000000, -0.0003440100000000, -0.0008342200000000 ] - [ -0.0007961600000000, -0.0002111900000000, -0.0008987800000000 ] - [ 0.0064065800000000, 0.0161835600000000, -0.0136079600000000 ] - [ 0.0030664500000000, -0.0009708400000000, 0.0020963300000000 ] - [ 0.0000656600000000, -0.0002164000000000, 0.0002887200000000 ] - [ 0.0031140200000000, -0.0015606700000000, -0.0000547300000000 ] - [ 0.0011235900000000, 0.0005998300000000, -0.0011688500000000 ] - [ 0.0012431600000000, 0.0004960400000000, -0.0010768800000000 ] - [ -0.0026783800000000, 0.0012342600000000, 0.0008615800000000 ] - [ 0.0009874800000000, -0.0006220500000000, 0.0018366900000000 ] - [ -0.0023746900000000, 0.0004471800000000, -0.0001386000000000 ] - [ -0.0008940700000000, 0.0001319800000000, 0.0004248900000000 ] - [ -0.0019299500000000, -0.0008509500000000, -0.0009904800000000 ] - [ -0.0008621600000000, -0.0005615200000000, -0.0000606900000000 ] - [ 0.0044285500000000, -0.0177155800000000, 0.0049838100000000 ] - [ 0.0027148200000000, 0.0011621400000000, 0.0010551400000000 ] - [ 0.0004885400000000, 0.0007913000000000, -0.0002522000000000 ] - [ 0.0026630200000000, 0.0021445700000000, -0.0024399600000000 ] - [ 0.0012664400000000, 0.0001356500000000, -0.0007562400000000 ] - [ 0.0014254600000000, 0.0000396800000000, -0.0000658800000000 ] - [ 0.0030477100000000, 0.0022022400000000, 0.0018869000000000 ] - [ 0.0040888300000000, -0.0152980500000000, -0.0163425700000000 ] - [ 0.0016918300000000, -0.0004267800000000, -0.0006682100000000 ] - [ 0.0009625000000000, -0.0006295700000000, -0.0005658300000000 ] - [ 0.0037990800000000, 0.0014210600000000, -0.0004307600000000 ] - [ -0.0005455300000000, 0.0008029300000000, 0.0027499900000000 ] - [ -0.0018266200000000, -0.0008388800000000, 0.0005086500000000 ] - [ -0.0003709600000000, -0.0014002500000000, 0.0015535300000000 ] - [ -0.0014915200000000, 0.0002977200000000, -0.0003701200000000 ] - [ -0.0012956500000000, 0.0003632500000000, -0.0004266900000000 ] - [ -0.0012355100000000, 0.0024188600000000, -0.0012740700000000 ] - [ -0.0000529400000000, -0.0012508300000000, 0.0025360500000000 ] - [ 0.0035331200000000, -0.0013280700000000, 0.0010930800000000 ] - [ 0.0019964200000000, 0.0192722600000000, 0.0015146900000000 ] - [ 0.0016856300000000, -0.0000390400000000, -0.0003752400000000 ] - [ 0.0006452400000000, -0.0001933800000000, -0.0014631400000000 ] - [ 0.0024971600000000, -0.0019404600000000, -0.0017896200000000 ] - [ 0.0001306400000000, -0.0004469900000000, -0.0012933400000000 ] - [ -0.0023783700000000, -0.0015532300000000, 0.0021025800000000 ] - [ -0.0002014400000000, 0.0008203500000000, -0.0003935300000000 ] - [ -0.0014950900000000, 0.0002492600000000, -0.0003243100000000 ] - [ -0.0005857800000000, 0.0011613900000000, -0.0018871500000000 ] - [ -0.0009489100000000, -0.0000588400000000, -0.0007431800000000 ] - [ -0.0009762900000000, -0.0004085200000000, -0.0001882500000000 ] - [ -0.1632308900000000, 0.0201223600000000, 0.1107571700000000 ] - [ 0.0055672700000000, -0.0006406400000000, -0.0017901800000000 ] - [ -0.0012553400000000, -0.0008341500000000, -0.0015211200000000 ] - [ 0.0019822000000000, -0.0016052200000000, -0.0039583600000000 ] - [ -0.0012600000000000, -0.0006264100000000, -0.0020374800000000 ] - [ 0.0019906300000000, -0.0004027800000000, -0.0027976400000000 ] - [ 0.0007713500000000, 0.0009778900000000, -0.0005136600000000 ] - [ 0.0022797300000000, 0.0001469900000000, 0.0006000300000000 ] - [ 0.0004463000000000, 0.0008073400000000, -0.0010648300000000 ] - [ 0.0012236500000000, 0.0004756000000000, -0.0007656200000000 ] - [ 0.0004497700000000, 0.0014463900000000, -0.0017000900000000 ] - [ 0.0012277800000000, 0.0005789400000000, -0.0005890400000000 ] - [ -0.0101762500000000, 0.0029321100000000, -0.0064387600000000 ] - [ 0.0043708900000000, 0.0005675000000000, 0.0037030500000000 ] - [ -0.0023075600000000, 0.0003430500000000, -0.0010915500000000 ] - [ -0.0013946000000000, 0.0004306000000000, -0.0005225500000000 ] - [ -0.0171371500000000, -0.0033373700000000, -0.0094197500000000 ] - [ 0.0042875200000000, 0.0017822300000000, 0.0043774800000000 ] - [ 0.0002276400000000, -0.0010534700000000, 0.0016425400000000 ] - [ 0.0013670200000000, -0.0007360000000000, 0.0006260300000000 ] - [ 0.0011904900000000, -0.0004794100000000, -0.0000004300000000 ] - [ 0.0015962700000000, -0.0002466900000000, -0.0003498600000000 ] - [ 0.0001702000000000, -0.0010973100000000, 0.0013839500000000 ] - [ 0.0015792800000000, -0.0005936600000000, 0.0005055900000000 ] - [ 0.0009925400000000, 0.0015231200000000, 0.0015063600000000 ] - [ -0.0000605000000000, 0.0001999000000000, 0.0013853300000000 ] - [ 0.0013281600000000, 0.0006285000000000, 0.0003108800000000 ] - [ 0.0005768600000000, -0.0006587500000000, -0.0001304400000000 ] - [ 0.0018336300000000, 0.0005517400000000, -0.0002566400000000 ] - [ 0.0005618600000000, 0.0006859700000000, 0.0007475300000000 ] - [ 0.0275723000000000, -0.0017784100000000, 0.0100271800000000 ] - [ 0.0271452200000000, -0.0015324000000000, 0.0092910200000000 ] - [ -0.0018094000000000, -0.0007361800000000, 0.0000191900000000 ] - [ -0.0017947200000000, -0.0006305100000000, -0.0020781400000000 ] - [ -0.0021286700000000, -0.0000996800000000, -0.0021573400000000 ] - [ -0.0021220200000000, -0.0000374700000000, -0.0005686300000000 ] - [ 0.0015937300000000, -0.0014665500000000, -0.0006279700000000 ] - [ 0.0005382700000000, -0.0000520800000000, -0.0002840800000000 ] - [ 0.0015929200000000, -0.0006049800000000, 0.0000982000000000 ] - [ 0.0005372200000000, -0.0002707200000000, -0.0004658100000000 ] - [ 0.0009507600000000, -0.0008714200000000, -0.0011498300000000 ] - [ 0.0001198600000000, -0.0009445800000000, -0.0018222300000000 ] - [ 0.0236774900000000, -0.0044656400000000, -0.0163755600000000 ] - [ -0.0033087700000000, 0.0008537900000000, 0.0025404300000000 ] - [ -0.0033417400000000, -0.0003072200000000, 0.0027537600000000 ] - [ 0.0234853000000000, 0.0115706200000000, -0.0268433800000000 ] - [ -0.0000744600000000, 0.0008655200000000, -0.0022192900000000 ] - [ -0.0000744500000000, 0.0009165500000000, -0.0020859100000000 ] - [ -0.0129018100000000, 0.0048213900000000, -0.0133514300000000 ] - [ 0.0136615400000000, -0.0070364400000000, 0.0111405000000000 ] - [ -0.0004315700000000, -0.0006020700000000, 0.0026882800000000 ] - [ 0.0023505400000000, -0.0004649100000000, 0.0040596200000000 ] - [ -0.0094877000000000, -0.0024167800000000, 0.0084205100000000 ] - [ 0.0089644000000000, -0.0033661900000000, 0.0023505700000000 ] - [ -0.0005540800000000, 0.0007376200000000, -0.0021831300000000 ] - [ -0.0013995400000000, 0.0003714700000000, -0.0011418400000000 ] - [ -0.0009391300000000, -0.0000451900000000, 0.0010604800000000 ] - [ -0.0010889000000000, -0.0003041200000000, 0.0021154600000000 ] - [ -0.0010593400000000, -0.0009751200000000, 0.0012035000000000 ] - [ -0.0010411300000000, 0.0010682500000000, -0.0007231000000000 ] - [ 0.0012331400000000, -0.0007313100000000, -0.0015483600000000 ] - [ -0.0032655500000000, 0.0001933200000000, -0.0012463200000000 ] - [ 0.0007446900000000, -0.0001678600000000, -0.0004838700000000 ] - [ -0.0020091900000000, 0.0002102200000000, -0.0001634700000000 ] - [ 0.0000712500000000, 0.0002585000000000, 0.0018317400000000 ] - [ -0.0020530600000000, 0.0000698500000000, 0.0013736700000000 ] - [ 0.0674934200000000, -0.0273536400000000, -0.0559065600000000 ] - [ -0.0122793400000000, -0.0046221500000000, -0.0109814600000000 ] - [ 0.0077261800000000, 0.0012416500000000, 0.0019434800000000 ] - [ -0.0104688800000000, 0.0035679400000000, 0.0081007000000000 ] - [ 0.0019879900000000, 0.0005973300000000, 0.0041240500000000 ] - [ 0.0000765400000000, 0.0006008200000000, 0.0028465500000000 ] - [ -0.0055085300000000, -0.0062217100000000, 0.0002245100000000 ] - [ -0.0005277600000000, 0.0072362600000000, -0.0066083900000000 ] - [ 0.0001114300000000, -0.0002902700000000, -0.0004910300000000 ] - [ -0.0013700300000000, 0.0056047600000000, 0.0036755600000000 ] - [ -0.0005063600000000, -0.0006199800000000, 0.0017698600000000 ] - [ 0.0002376900000000, -0.0001804700000000, 0.0013174100000000 ] - [ -0.0045027100000000, 0.0056495900000000, -0.0025737200000000 ] - [ -0.0009245300000000, -0.0036241400000000, -0.0053671500000000 ] - [ -0.0001081500000000, 0.0001103300000000, -0.0011143500000000 ] - [ 0.0015662100000000, -0.0042950400000000, 0.0027762600000000 ] - [ -0.0002630800000000, 0.0006975900000000, 0.0012569400000000 ] - [ 0.0005383200000000, 0.0002771200000000, 0.0005979100000000 ] - [ 0.0095005200000000, 0.0044514200000000, -0.0027635100000000 ] - [ -0.0033733800000000, 0.0010081500000000, -0.0010523100000000 ] - [ 0.0006242900000000, 0.0003231300000000, 0.0007394200000000 ] - [ -0.0004181100000000, 0.0003056200000000, 0.0009655100000000 ] - [ 0.0048845500000000, -0.0042853900000000, 0.0034984600000000 ] - [ -0.0025702900000000, -0.0004663000000000, -0.0007192700000000 ] - [ 0.0081411300000000, 0.0001620300000000, -0.0035961600000000 ] - [ -0.0035069100000000, -0.0010137200000000, -0.0008765000000000 ] - [ 0.0006191700000000, -0.0003556500000000, 0.0014813600000000 ] - [ -0.0010122800000000, -0.0006331500000000, 0.0015824600000000 ] - [ 0.0005620900000000, 0.0028761700000000, 0.0026995800000000 ] - [ -0.0013260600000000, 0.0006387900000000, 0.0002030900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008334500000000, -0.0009523200000000, -0.0019849700000000 ] - [ -0.0030345900000000, -0.0009867900000000, 0.0002105300000000 ] - [ 0.0007302400000000, 0.0006156100000000, -0.0018538600000000 ] - [ -0.0017980000000000, 0.0002154300000000, 0.0000092300000000 ] - [ -0.0011190400000000, 0.0003716300000000, 0.0003129100000000 ] - [ -0.0017148300000000, 0.0002405200000000, 0.0003791000000000 ] - [ -0.0039679300000000, -0.0161489500000000, 0.0130261300000000 ] - [ -0.0005725100000000, 0.0009650300000000, -0.0026495800000000 ] - [ 0.0024166100000000, 0.0002058200000000, -0.0007838000000000 ] - [ -0.0006151800000000, 0.0015501800000000, -0.0004097800000000 ] - [ 0.0013844900000000, -0.0006276300000000, 0.0006506600000000 ] - [ 0.0012677600000000, -0.0005179000000000, 0.0005601900000000 ] - [ 0.0001857600000000, -0.0012684400000000, -0.0004001300000000 ] - [ -0.0034974300000000, 0.0005852500000000, -0.0013868000000000 ] - [ -0.0001142300000000, -0.0004841700000000, 0.0006699600000000 ] - [ -0.0016098400000000, -0.0001610200000000, 0.0001065300000000 ] - [ -0.0005767400000000, 0.0008335400000000, 0.0015186200000000 ] - [ -0.0016486000000000, 0.0005310700000000, 0.0005764900000000 ] - [ -0.0019629800000000, 0.0177163700000000, -0.0045036900000000 ] - [ -0.0002145000000000, -0.0011564800000000, -0.0005968500000000 ] - [ 0.0020000600000000, -0.0007500600000000, 0.0007784500000000 ] - [ -0.0001678800000000, -0.0021316700000000, 0.0029901200000000 ] - [ 0.0012416400000000, -0.0001099300000000, 0.0012844900000000 ] - [ 0.0010839100000000, -0.0000130200000000, 0.0005873100000000 ] - [ -0.0005507800000000, -0.0022185000000000, -0.0013589500000000 ] - [ -0.0015278200000000, 0.0154373800000000, 0.0170083300000000 ] - [ 0.0008050400000000, 0.0003940200000000, 0.0011338500000000 ] - [ 0.0015434800000000, 0.0006076100000000, 0.0010309700000000 ] - [ -0.0013122900000000, -0.0014482500000000, 0.0009650700000000 ] - [ 0.0030625200000000, -0.0008366500000000, -0.0022029100000000 ] - [ -0.0007376600000000, 0.0008286500000000, -0.0000102800000000 ] - [ -0.0021360100000000, 0.0014321100000000, -0.0010384500000000 ] - [ -0.0010087600000000, -0.0002729300000000, 0.0008318800000000 ] - [ -0.0012019600000000, -0.0003278300000000, 0.0008908300000000 ] - [ -0.0012635000000000, -0.0023897100000000, 0.0018078800000000 ] - [ -0.0024463500000000, 0.0012824900000000, -0.0020075600000000 ] - [ -0.0010302400000000, 0.0013385200000000, -0.0016228300000000 ] - [ 0.0005718600000000, -0.0194048600000000, -0.0020599900000000 ] - [ 0.0008055900000000, 0.0000715600000000, -0.0001536500000000 ] - [ 0.0018601400000000, 0.0002246600000000, 0.0009353900000000 ] - [ -0.0000035400000000, 0.0019675000000000, 0.0013281100000000 ] - [ 0.0023784400000000, 0.0004860500000000, 0.0008389700000000 ] - [ -0.0001304600000000, 0.0015158700000000, -0.0026262900000000 ] - [ -0.0023085600000000, -0.0008577500000000, -0.0001256900000000 ] - [ -0.0009997000000000, -0.0002835400000000, -0.0002064100000000 ] - [ -0.0019155600000000, -0.0012016100000000, 0.0013657200000000 ] - [ -0.0015522600000000, 0.0000275500000000, 0.0002866500000000 ] - [ -0.0015250100000000, 0.0003832100000000, -0.0002756500000000 ] - [ 0.1608470000000000, -0.0188670000000000, -0.1103598400000000 ] - [ -0.0075100200000000, -0.0006673400000000, 0.0004378300000000 ] - [ -0.0006398400000000, -0.0004794200000000, 0.0002487500000000 ] - [ -0.0039113000000000, 0.0003022300000000, 0.0027283200000000 ] - [ -0.0006445600000000, -0.0006674200000000, 0.0007410300000000 ] - [ -0.0039035000000000, -0.0008883300000000, 0.0014977900000000 ] - [ 0.0011307300000000, 0.0003097400000000, -0.0008303200000000 ] - [ -0.0003842700000000, 0.0011746200000000, -0.0019641800000000 ] - [ 0.0014551100000000, 0.0005023300000000, -0.0002033900000000 ] - [ 0.0006786900000000, 0.0008388400000000, -0.0004936000000000 ] - [ 0.0014585500000000, -0.0001618700000000, 0.0004006400000000 ] - [ 0.0006829500000000, 0.0007078400000000, -0.0007145900000000 ] - [ 0.0083319400000000, -0.0015856700000000, 0.0077200200000000 ] - [ -0.0062892900000000, 0.0007478000000000, -0.0023466100000000 ] - [ 0.0004064600000000, 0.0009459500000000, 0.0024013500000000 ] - [ -0.0005121200000000, 0.0008587100000000, 0.0018329300000000 ] - [ 0.0151036100000000, 0.0047022900000000, 0.0107796300000000 ] - [ -0.0062350500000000, -0.0004866100000000, -0.0031555800000000 ] - [ 0.0016758800000000, -0.0002677600000000, -0.0002874000000000 ] - [ 0.0005325400000000, -0.0005824200000000, 0.0007332200000000 ] - [ 0.0007187500000000, -0.0008054200000000, 0.0013031000000000 ] - [ 0.0003075500000000, -0.0010507200000000, 0.0016569600000000 ] - [ 0.0017315100000000, -0.0002156400000000, -0.0001185200000000 ] - [ 0.0003235100000000, -0.0007197200000000, 0.0007576200000000 ] - [ 0.0009025000000000, -0.0002341600000000, -0.0001963500000000 ] - [ 0.0019784700000000, 0.0010837400000000, -0.0000876700000000 ] - [ 0.0005729300000000, 0.0006827800000000, 0.0009514400000000 ] - [ 0.0013311500000000, 0.0019760100000000, 0.0013911300000000 ] - [ 0.0000684500000000, 0.0007643600000000, 0.0016152000000000 ] - [ 0.0013415400000000, 0.0006239300000000, 0.0006090300000000 ] - [ -0.0292051400000000, 0.0004853000000000, -0.0087027400000000 ] - [ -0.0296343600000000, 0.0002769800000000, -0.0081368700000000 ] - [ -0.0001078900000000, -0.0005663300000000, 0.0012316000000000 ] - [ -0.0000932100000000, -0.0006822100000000, 0.0033623200000000 ] - [ 0.0002204700000000, -0.0012161300000000, 0.0035133600000000 ] - [ 0.0002272600000000, -0.0012804700000000, 0.0019351100000000 ] - [ 0.0003039600000000, 0.0001538900000000, -0.0006337300000000 ] - [ 0.0013717700000000, -0.0012658500000000, -0.0009767300000000 ] - [ 0.0003022000000000, -0.0006923200000000, -0.0014112600000000 ] - [ 0.0013714700000000, -0.0010266300000000, -0.0008386500000000 ] - [ 0.0009504900000000, -0.0004425700000000, -0.0002096400000000 ] - [ 0.0017844800000000, -0.0003679000000000, 0.0004690400000000 ] - [ -0.0255266000000000, 0.0057948100000000, 0.0151498300000000 ] - [ 0.0014313100000000, 0.0004567000000000, -0.0038365800000000 ] - [ 0.0013978200000000, 0.0015923100000000, -0.0040416900000000 ] - [ -0.0257224500000000, -0.0104077600000000, 0.0257970800000000 ] - [ -0.0018329700000000, 0.0004487000000000, 0.0008688600000000 ] - [ -0.0018329600000000, 0.0003903300000000, 0.0007377900000000 ] - [ 0.0148094800000000, -0.0047958900000000, 0.0133145400000000 ] - [ -0.0133058700000000, 0.0062540000000000, -0.0096697900000000 ] - [ 0.0023240200000000, 0.0006047900000000, -0.0027115000000000 ] - [ -0.0004999800000000, 0.0004680100000000, -0.0040919900000000 ] - [ 0.0114042800000000, 0.0024234800000000, -0.0084137200000000 ] - [ -0.0071569900000000, 0.0033513700000000, -0.0023571900000000 ] - [ -0.0012889000000000, -0.0007023700000000, 0.0021796000000000 ] - [ -0.0004746900000000, -0.0003614700000000, 0.0011467700000000 ] - [ -0.0009306400000000, 0.0000544700000000, -0.0010742900000000 ] - [ -0.0007887700000000, 0.0003024700000000, -0.0021370600000000 ] - [ -0.0008066800000000, 0.0009780300000000, -0.0011949200000000 ] - [ -0.0008332800000000, -0.0010706400000000, 0.0007394000000000 ] - [ -0.0031213200000000, 0.0007520900000000, 0.0015259000000000 ] - [ 0.0014087500000000, -0.0001919600000000, 0.0012352400000000 ] - [ -0.0026199400000000, 0.0001991700000000, 0.0005152900000000 ] - [ 0.0001540000000000, -0.0002091100000000, 0.0001801100000000 ] - [ -0.0019378700000000, -0.0002654500000000, -0.0018376300000000 ] - [ 0.0001925300000000, -0.0000663300000000, -0.0013777300000000 ] - [ -0.0630624600000000, 0.0254128400000000, 0.0522472000000000 ] - [ 0.0142845800000000, 0.0046860300000000, 0.0111122500000000 ] - [ -0.0058218400000000, -0.0012675400000000, -0.0018829200000000 ] - [ 0.0123981300000000, -0.0035976700000000, -0.0081672300000000 ] - [ -0.0001188900000000, -0.0005987300000000, -0.0041350900000000 ] - [ 0.0017863300000000, -0.0006068900000000, -0.0028541300000000 ] - [ 0.0055345600000000, 0.0062283100000000, 0.0004473400000000 ] - [ 0.0004646100000000, -0.0072566200000000, 0.0073079000000000 ] - [ -0.0000829800000000, 0.0002820700000000, 0.0011750200000000 ] - [ 0.0013519300000000, -0.0056414500000000, -0.0030030400000000 ] - [ 0.0005096100000000, 0.0006226600000000, -0.0011050400000000 ] - [ -0.0002431200000000, 0.0001794300000000, -0.0006556500000000 ] - [ 0.0045215400000000, -0.0056542700000000, 0.0019042700000000 ] - [ 0.0009169600000000, 0.0036405500000000, 0.0047154800000000 ] - [ 0.0001167900000000, -0.0001071200000000, 0.0004445700000000 ] - [ -0.0015823200000000, 0.0043229600000000, -0.0034669700000000 ] - [ 0.0002654000000000, -0.0006971100000000, -0.0019268500000000 ] - [ -0.0005402200000000, -0.0002787600000000, -0.0012707200000000 ] - [ -0.0095002100000000, -0.0042692100000000, 0.0022752100000000 ] - [ 0.0033917500000000, -0.0010379000000000, 0.0003756700000000 ] - [ -0.0006256500000000, -0.0003227900000000, -0.0014112500000000 ] - [ 0.0004215500000000, -0.0003096600000000, -0.0016457300000000 ] - [ -0.0048742800000000, 0.0043023000000000, -0.0041922100000000 ] - [ 0.0025760200000000, 0.0004606500000000, 0.0000581700000000 ] - [ -0.0081592400000000, -0.0001918300000000, 0.0042778300000000 ] - [ 0.0035215400000000, 0.0010382600000000, 0.0015486800000000 ] - [ -0.0006255300000000, 0.0003542300000000, -0.0008101500000000 ] - [ 0.0010174700000000, 0.0006407600000000, -0.0009207800000000 ] - [ -0.0005594500000000, -0.0028946200000000, -0.0020418200000000 ] - [ 0.0013275600000000, -0.0006337400000000, 0.0004776900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010547100000000, 0.0008637000000000, -0.0010105100000000 ] - [ -0.0012112200000000, 0.0003280700000000, -0.0004186000000000 ] - [ -0.0064863500000000, 0.0066662400000000, 0.0095313300000000 ] - [ -0.0005879100000000, 0.0003513900000000, -0.0001805600000000 ] - [ -0.0012771300000000, 0.0001723800000000, -0.0000191500000000 ] - [ -0.0013506400000000, 0.0001004400000000, -0.0000709000000000 ] - [ 0.0068654900000000, -0.0049860600000000, -0.0054267500000000 ] - [ 0.0001781300000000, -0.0014014900000000, -0.0006577700000000 ] - [ 0.0029576800000000, -0.0042553300000000, 0.0036352100000000 ] - [ 0.0000972000000000, -0.0017284300000000, -0.0002269700000000 ] - [ 0.0013042300000000, -0.0006599200000000, 0.0003078000000000 ] - [ 0.0012307000000000, -0.0004744400000000, 0.0001065200000000 ] - [ -0.0015388500000000, 0.0029359800000000, 0.0014074900000000 ] - [ -0.0024763700000000, 0.0014825100000000, -0.0003767800000000 ] - [ -0.0018878000000000, 0.0017529500000000, 0.0007584700000000 ] - [ -0.0012173200000000, 0.0005554700000000, 0.0005656100000000 ] - [ -0.0009842100000000, 0.0008076600000000, 0.0010969200000000 ] - [ -0.0013545900000000, 0.0005268000000000, 0.0005879500000000 ] - [ -0.0063705700000000, 0.0118490500000000, 0.0011532900000000 ] - [ 0.0018786800000000, -0.0006580800000000, 0.0002548200000000 ] - [ 0.0011064700000000, -0.0001265300000000, 0.0001098700000000 ] - [ 0.0016777000000000, 0.0002083000000000, -0.0004649100000000 ] - [ 0.0011721000000000, -0.0000899200000000, 0.0008540200000000 ] - [ 0.0011814800000000, -0.0000627700000000, 0.0004905800000000 ] - [ 0.0013681900000000, -0.0012586600000000, -0.0004788300000000 ] - [ -0.0064224100000000, 0.0006701000000000, 0.0109998500000000 ] - [ 0.0011527300000000, -0.0002098000000000, 0.0003961600000000 ] - [ 0.0011748400000000, -0.0003238000000000, 0.0003656900000000 ] - [ 0.0009405800000000, -0.0016897400000000, -0.0003928700000000 ] - [ 0.0008710400000000, -0.0018365300000000, -0.0020972000000000 ] - [ 0.0061624800000000, 0.0050274100000000, 0.0028576400000000 ] - [ -0.0019740800000000, 0.0010475700000000, -0.0006460700000000 ] - [ -0.0011083600000000, -0.0001570300000000, 0.0006312200000000 ] - [ -0.0012993100000000, -0.0001651400000000, 0.0006147100000000 ] - [ -0.0010422300000000, 0.0004470100000000, 0.0001310200000000 ] - [ -0.0020221000000000, 0.0013345100000000, -0.0015508500000000 ] - [ 0.0007961300000000, -0.0006677200000000, -0.0010662000000000 ] - [ 0.0087865200000000, 0.0131689400000000, -0.0028572800000000 ] - [ 0.0013285600000000, 0.0000779200000000, -0.0001483000000000 ] - [ 0.0011336400000000, -0.0000201300000000, -0.0005100700000000 ] - [ 0.0007212100000000, 0.0008942000000000, 0.0007250100000000 ] - [ 0.0018271300000000, 0.0002910200000000, 0.0006084200000000 ] - [ -0.0017255500000000, 0.0038217900000000, -0.0015825900000000 ] - [ -0.0007948700000000, 0.0021652200000000, -0.0012536600000000 ] - [ -0.0012426500000000, 0.0002964000000000, -0.0002441900000000 ] - [ -0.0011460100000000, 0.0008873800000000, -0.0008905900000000 ] - [ -0.0015271800000000, 0.0006039800000000, -0.0001549800000000 ] - [ -0.0014465000000000, 0.0006239800000000, -0.0003250800000000 ] - [ 0.0183955600000000, -0.0696288300000000, -0.0279819600000000 ] - [ -0.0009371800000000, -0.0012163600000000, -0.0010617900000000 ] - [ -0.0009328400000000, -0.0014667500000000, -0.0007574500000000 ] - [ -0.0007020200000000, -0.0010630400000000, -0.0008637800000000 ] - [ -0.0011300300000000, -0.0014583900000000, 0.0002453100000000 ] - [ -0.0019180000000000, -0.0010508200000000, 0.0000401500000000 ] - [ 0.0012888700000000, 0.0051324300000000, -0.0034374900000000 ] - [ 0.0004330700000000, 0.0013500600000000, -0.0012211900000000 ] - [ 0.0017605800000000, 0.0008750400000000, 0.0004199200000000 ] - [ 0.0008887800000000, 0.0008452500000000, -0.0003474200000000 ] - [ 0.0011063200000000, 0.0008604000000000, -0.0006024500000000 ] - [ 0.0007717400000000, 0.0008324600000000, -0.0007708500000000 ] - [ -0.0032182500000000, 0.0007288700000000, -0.0095524200000000 ] - [ -0.0008607700000000, 0.0002078600000000, 0.0003390000000000 ] - [ -0.0006501000000000, 0.0006865500000000, 0.0011279900000000 ] - [ -0.0007374800000000, 0.0006179800000000, 0.0010167600000000 ] - [ 0.0030838800000000, 0.0031827700000000, 0.0121755700000000 ] - [ -0.0020908900000000, 0.0002367100000000, 0.0000536900000000 ] - [ 0.0013455800000000, 0.0015927600000000, -0.0002893100000000 ] - [ 0.0010271500000000, 0.0000030500000000, 0.0003726300000000 ] - [ 0.0007905100000000, -0.0004744700000000, 0.0009869300000000 ] - [ 0.0005485200000000, -0.0003088300000000, 0.0009987400000000 ] - [ 0.0013956600000000, 0.0003127600000000, -0.0002243400000000 ] - [ 0.0008888900000000, -0.0001759700000000, 0.0005826700000000 ] - [ 0.0018366500000000, 0.0009100300000000, -0.0003863300000000 ] - [ 0.0005080900000000, 0.0020789200000000, 0.0006169300000000 ] - [ 0.0009251100000000, 0.0010029100000000, 0.0010417400000000 ] - [ -0.0003786700000000, 0.0026031800000000, 0.0028397600000000 ] - [ 0.0008464700000000, 0.0007747100000000, 0.0008123400000000 ] - [ 0.0009825600000000, 0.0008290300000000, 0.0006382700000000 ] - [ -0.0019172100000000, -0.0046313500000000, -0.0016836200000000 ] - [ -0.0020359900000000, -0.0046317200000000, 0.0014215700000000 ] - [ -0.0009247200000000, -0.0016002000000000, 0.0010364300000000 ] - [ -0.0010380800000000, -0.0016016800000000, 0.0008468800000000 ] - [ -0.0003245800000000, -0.0013130600000000, 0.0018710100000000 ] - [ -0.0003890100000000, -0.0013134700000000, 0.0014269500000000 ] - [ 0.0009060600000000, 0.0004116700000000, -0.0003857700000000 ] - [ 0.0005710000000000, 0.0005463300000000, -0.0006751300000000 ] - [ 0.0017718100000000, 0.0004320700000000, -0.0001815400000000 ] - [ 0.0003392200000000, 0.0005570000000000, -0.0010106700000000 ] - [ 0.0011676500000000, -0.0003214500000000, -0.0002348400000000 ] - [ 0.0012393300000000, -0.0002342200000000, -0.0000439200000000 ] - [ -0.0120189400000000, 0.0048923700000000, 0.0075221100000000 ] - [ -0.0000012000000000, 0.0000940600000000, -0.0007832500000000 ] - [ -0.0011486100000000, 0.0000803600000000, -0.0011266100000000 ] - [ 0.0042195800000000, 0.0048638000000000, -0.0071856200000000 ] - [ -0.0012153300000000, 0.0005177600000000, -0.0002000800000000 ] - [ -0.0011630000000000, 0.0005147900000000, -0.0003350300000000 ] - [ 0.0015595100000000, 0.0020798300000000, 0.0015604200000000 ] - [ 0.0145597400000000, 0.0202583100000000, -0.0063285700000000 ] - [ 0.0007143900000000, 0.0005315500000000, -0.0006870400000000 ] - [ 0.0007399900000000, 0.0008840200000000, -0.0005416800000000 ] - [ 0.0056635300000000, 0.0033233000000000, -0.0045491100000000 ] - [ -0.0030651500000000, 0.0048478400000000, -0.0029652900000000 ] - [ -0.0032741400000000, -0.0074789500000000, 0.0019460300000000 ] - [ 0.0002794800000000, -0.0033474200000000, 0.0009403500000000 ] - [ -0.0012968800000000, -0.0006897600000000, -0.0012265300000000 ] - [ 0.0002186300000000, -0.0015290200000000, -0.0016780900000000 ] - [ -0.0015108700000000, -0.0011220100000000, 0.0000689300000000 ] - [ -0.0008875200000000, -0.0018680200000000, 0.0003953500000000 ] - [ 0.0005515000000000, -0.0049665100000000, 0.0021787000000000 ] - [ -0.0007450700000000, -0.0021502700000000, 0.0006632900000000 ] - [ -0.0018171300000000, -0.0074081400000000, -0.0021734000000000 ] - [ -0.0015147600000000, -0.0010526300000000, -0.0004891400000000 ] - [ -0.0010205800000000, -0.0007422600000000, -0.0006069000000000 ] - [ -0.0006972400000000, -0.0004241400000000, -0.0004876100000000 ] - [ -0.0293053600000000, 0.0318504400000000, 0.0319074100000000 ] - [ 0.0013303600000000, 0.0025501500000000, 0.0009820100000000 ] - [ 0.0036828800000000, 0.0061852900000000, 0.0015243100000000 ] - [ -0.0007903400000000, 0.0031781900000000, 0.0017114500000000 ] - [ 0.0007983000000000, 0.0004219000000000, -0.0016409200000000 ] - [ 0.0010808800000000, 0.0002364000000000, -0.0010020900000000 ] - [ -0.0013552700000000, 0.0004881300000000, 0.0011635900000000 ] - [ 0.0046882600000000, -0.0027169200000000, 0.0047234300000000 ] - [ -0.0020519800000000, 0.0013194100000000, -0.0013755700000000 ] - [ 0.0039774700000000, -0.0004271900000000, -0.0019631600000000 ] - [ 0.0000521200000000, 0.0004767700000000, -0.0000764900000000 ] - [ 0.0000439200000000, 0.0004311000000000, 0.0001058900000000 ] - [ 0.0036509900000000, -0.0038270900000000, 0.0010172600000000 ] - [ -0.0024015700000000, -0.0033349200000000, -0.0030514100000000 ] - [ 0.0001619000000000, -0.0006688200000000, -0.0002567500000000 ] - [ 0.0004010300000000, -0.0017934500000000, 0.0011600700000000 ] - [ 0.0000309000000000, -0.0006152000000000, -0.0010728600000000 ] - [ -0.0001991800000000, -0.0005150600000000, -0.0008365600000000 ] - [ -0.0053978000000000, -0.0079127600000000, -0.0139364700000000 ] - [ 0.0004418000000000, 0.0005470900000000, 0.0002655300000000 ] - [ -0.0001009900000000, 0.0005677200000000, -0.0013659400000000 ] - [ 0.0002119100000000, 0.0003840500000000, -0.0008935500000000 ] - [ -0.0005012800000000, -0.0000218500000000, 0.0010663900000000 ] - [ 0.0008196100000000, 0.0005570200000000, -0.0000069100000000 ] - [ 0.0023575300000000, -0.0069860400000000, 0.0037250400000000 ] - [ -0.0002846400000000, -0.0004933000000000, 0.0010087300000000 ] - [ 0.0000235800000000, -0.0005548600000000, 0.0000966000000000 ] - [ -0.0001849300000000, -0.0004686200000000, 0.0002864100000000 ] - [ 0.0002028100000000, -0.0026170200000000, -0.0014912500000000 ] - [ 0.0004899800000000, -0.0006564500000000, -0.0000223500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014437200000000, -0.0008373200000000, 0.0004610700000000 ] - [ -0.0012889600000000, -0.0003047500000000, -0.0001138400000000 ] - [ 0.0038764100000000, -0.0065582000000000, -0.0098404800000000 ] - [ -0.0019053800000000, -0.0003300100000000, -0.0002848400000000 ] - [ -0.0012349400000000, -0.0001451200000000, -0.0004995300000000 ] - [ -0.0011592000000000, -0.0000740500000000, -0.0004506000000000 ] - [ -0.0043736000000000, 0.0049138100000000, 0.0048829700000000 ] - [ 0.0023036700000000, 0.0013392600000000, 0.0001272700000000 ] - [ -0.0004410100000000, 0.0041516500000000, -0.0040463200000000 ] - [ 0.0024005600000000, 0.0016829200000000, -0.0002382800000000 ] - [ 0.0012070500000000, 0.0006264200000000, -0.0008198900000000 ] - [ 0.0012788200000000, 0.0004474400000000, -0.0006215900000000 ] - [ -0.0009673800000000, -0.0029435200000000, -0.0009401800000000 ] - [ -0.0000199300000000, -0.0015116600000000, 0.0008412900000000 ] - [ -0.0006198500000000, -0.0017604800000000, -0.0002170800000000 ] - [ -0.0012823600000000, -0.0005752700000000, -0.0000269500000000 ] - [ -0.0015235900000000, -0.0008210700000000, -0.0005678200000000 ] - [ -0.0011544700000000, -0.0005517100000000, -0.0000677800000000 ] - [ 0.0089947700000000, -0.0119108900000000, -0.0007538700000000 ] - [ 0.0006211600000000, 0.0007033300000000, 0.0002043100000000 ] - [ 0.0013897400000000, 0.0001559500000000, 0.0004200200000000 ] - [ 0.0008213500000000, -0.0001714200000000, 0.0009905800000000 ] - [ 0.0013384300000000, 0.0001183500000000, -0.0003286200000000 ] - [ 0.0013251800000000, 0.0000922300000000, 0.0000315100000000 ] - [ 0.0011405900000000, 0.0012094500000000, 0.0009829300000000 ] - [ 0.0089078300000000, -0.0008069900000000, -0.0104818000000000 ] - [ 0.0013479300000000, 0.0001733500000000, 0.0000674500000000 ] - [ 0.0013255700000000, 0.0002954900000000, 0.0000973600000000 ] - [ 0.0015502800000000, 0.0016439800000000, 0.0009215300000000 ] - [ 0.0016290600000000, 0.0017813000000000, 0.0026113500000000 ] - [ -0.0085343600000000, -0.0049275000000000, -0.0022927200000000 ] - [ -0.0005416100000000, -0.0010282800000000, 0.0011650200000000 ] - [ -0.0013900600000000, 0.0001774600000000, -0.0001634800000000 ] - [ -0.0012003500000000, 0.0001961700000000, -0.0001491300000000 ] - [ -0.0014529700000000, -0.0004238100000000, 0.0004051600000000 ] - [ -0.0004881600000000, -0.0012887600000000, 0.0020538400000000 ] - [ 0.0017166200000000, 0.0007043300000000, 0.0005457200000000 ] - [ -0.0064117900000000, -0.0133114900000000, 0.0023652300000000 ] - [ 0.0011689200000000, -0.0000425100000000, -0.0003774500000000 ] - [ 0.0013640300000000, 0.0000535200000000, -0.0000207200000000 ] - [ 0.0017740100000000, -0.0008555400000000, -0.0011756600000000 ] - [ 0.0006764800000000, -0.0002516400000000, -0.0010617700000000 ] - [ -0.0007863800000000, -0.0038124300000000, 0.0010492000000000 ] - [ -0.0017202700000000, -0.0021862000000000, 0.0007297200000000 ] - [ -0.0012509300000000, -0.0003266000000000, -0.0002860800000000 ] - [ -0.0013538000000000, -0.0009145200000000, 0.0003589700000000 ] - [ -0.0009733600000000, -0.0006305100000000, -0.0003050500000000 ] - [ -0.0010589800000000, -0.0006419500000000, -0.0001412900000000 ] - [ -0.0205772500000000, 0.0680620700000000, 0.0267157500000000 ] - [ -0.0009639600000000, -0.0001006400000000, -0.0002993100000000 ] - [ -0.0009749800000000, 0.0001536600000000, -0.0005039500000000 ] - [ -0.0011893900000000, -0.0002557300000000, -0.0004099100000000 ] - [ -0.0007753400000000, 0.0001616500000000, -0.0015457700000000 ] - [ -0.0000084900000000, -0.0002446300000000, -0.0013289600000000 ] - [ 0.0006204200000000, -0.0037700400000000, 0.0020397100000000 ] - [ 0.0014606700000000, -0.0000318000000000, -0.0001417400000000 ] - [ 0.0001529700000000, 0.0004366800000000, -0.0016681300000000 ] - [ 0.0010176700000000, 0.0004653700000000, -0.0009062500000000 ] - [ 0.0008015500000000, 0.0004229700000000, -0.0006986600000000 ] - [ 0.0011339100000000, 0.0004527200000000, -0.0005358400000000 ] - [ 0.0013013700000000, 0.0006089900000000, 0.0109334800000000 ] - [ -0.0010418400000000, 0.0011105000000000, 0.0010136200000000 ] - [ -0.0012527800000000, 0.0006037700000000, 0.0001821900000000 ] - [ -0.0011645300000000, 0.0006712600000000, 0.0002953300000000 ] - [ -0.0049561000000000, -0.0018199900000000, -0.0108933400000000 ] - [ 0.0001789000000000, 0.0010773100000000, 0.0012091900000000 ] - [ 0.0005591800000000, -0.0028916200000000, 0.0016422100000000 ] - [ 0.0008739000000000, -0.0013138700000000, 0.0009842500000000 ] - [ 0.0011165000000000, -0.0008081600000000, 0.0003195500000000 ] - [ 0.0013523500000000, -0.0009835900000000, 0.0003091500000000 ] - [ 0.0005154500000000, -0.0016180600000000, 0.0014728900000000 ] - [ 0.0010143000000000, -0.0011318800000000, 0.0006775100000000 ] - [ 0.0000811700000000, 0.0003776700000000, 0.0016729000000000 ] - [ 0.0013916900000000, -0.0007834000000000, 0.0006858700000000 ] - [ 0.0009791900000000, 0.0003115500000000, 0.0002258000000000 ] - [ 0.0022555300000000, -0.0012822000000000, -0.0015513500000000 ] - [ 0.0010583800000000, 0.0005394400000000, 0.0005430600000000 ] - [ 0.0009207900000000, 0.0004808400000000, 0.0007155700000000 ] - [ -0.0001081300000000, 0.0033323600000000, 0.0029540800000000 ] - [ 0.0002278400000000, 0.0033311300000000, -0.0001019300000000 ] - [ -0.0009761800000000, 0.0002811600000000, 0.0002343400000000 ] - [ -0.0008678600000000, 0.0002802700000000, 0.0004087900000000 ] - [ -0.0015671300000000, -0.0000101500000000, -0.0004943000000000 ] - [ -0.0015061000000000, -0.0000100900000000, -0.0000569700000000 ] - [ 0.0009933700000000, -0.0017263100000000, -0.0008797900000000 ] - [ 0.0013261900000000, -0.0018506600000000, -0.0005932700000000 ] - [ 0.0001519100000000, -0.0017069000000000, -0.0011106600000000 ] - [ 0.0015530300000000, -0.0018390900000000, -0.0002981500000000 ] - [ 0.0007386700000000, -0.0009877600000000, -0.0011180800000000 ] - [ 0.0006632800000000, -0.0010768100000000, -0.0013082300000000 ] - [ 0.0099566000000000, -0.0035624100000000, -0.0086756600000000 ] - [ -0.0018998100000000, 0.0012230600000000, -0.0004726500000000 ] - [ -0.0007510200000000, 0.0012088400000000, -0.0001946700000000 ] - [ -0.0060385400000000, -0.0035907900000000, 0.0057975500000000 ] - [ -0.0006885300000000, 0.0007972100000000, -0.0011511800000000 ] - [ -0.0007462100000000, 0.0007935100000000, -0.0010148000000000 ] - [ 0.0003420200000000, -0.0020927100000000, -0.0014994600000000 ] - [ -0.0131243400000000, -0.0201277500000000, 0.0067097600000000 ] - [ 0.0011478000000000, -0.0005283000000000, 0.0006656400000000 ] - [ 0.0011357100000000, -0.0008797000000000, 0.0005234400000000 ] - [ -0.0037400000000000, -0.0032930200000000, 0.0045018500000000 ] - [ 0.0049096700000000, -0.0048242000000000, 0.0029397300000000 ] - [ 0.0013736100000000, 0.0073839900000000, -0.0019203900000000 ] - [ -0.0021265500000000, 0.0033412400000000, -0.0009390000000000 ] - [ -0.0005823300000000, 0.0006899900000000, 0.0011931200000000 ] - [ -0.0020827000000000, 0.0015157300000000, 0.0016471000000000 ] - [ -0.0003634900000000, 0.0011265500000000, -0.0000474700000000 ] - [ -0.0009807800000000, 0.0018481400000000, -0.0003660300000000 ] - [ -0.0024040200000000, 0.0049327200000000, -0.0021596900000000 ] - [ -0.0011278000000000, 0.0021448200000000, -0.0006626800000000 ] - [ -0.0000492000000000, 0.0073273200000000, 0.0021464800000000 ] - [ -0.0003647000000000, 0.0010494200000000, 0.0004895500000000 ] - [ -0.0008440800000000, 0.0007321500000000, 0.0005998200000000 ] - [ -0.0011654900000000, 0.0004245400000000, 0.0004833900000000 ] - [ 0.0318631500000000, -0.0315867200000000, -0.0325121700000000 ] - [ 0.0005229800000000, -0.0025529300000000, -0.0010233800000000 ] - [ -0.0017941400000000, -0.0061318800000000, -0.0014959800000000 ] - [ 0.0026354700000000, -0.0031570700000000, -0.0016636800000000 ] - [ 0.0010583200000000, -0.0004246800000000, 0.0016229500000000 ] - [ 0.0007872000000000, -0.0002434300000000, 0.0009885100000000 ] - [ 0.0013618000000000, -0.0004545300000000, -0.0004845200000000 ] - [ -0.0046238000000000, 0.0027271800000000, -0.0039915500000000 ] - [ 0.0020262100000000, -0.0012908000000000, 0.0020275700000000 ] - [ -0.0039516600000000, 0.0004691100000000, 0.0026465800000000 ] - [ -0.0000517800000000, -0.0004663200000000, 0.0007377000000000 ] - [ -0.0000455200000000, -0.0004264400000000, 0.0005590900000000 ] - [ -0.0036649500000000, 0.0038078200000000, -0.0016809600000000 ] - [ 0.0024035700000000, 0.0033098100000000, 0.0023859800000000 ] - [ -0.0001610600000000, 0.0006555300000000, -0.0004149200000000 ] - [ -0.0003919400000000, 0.0017726200000000, -0.0018260500000000 ] - [ -0.0000331700000000, 0.0006077500000000, 0.0003990200000000 ] - [ 0.0002000800000000, 0.0005072400000000, 0.0001632600000000 ] - [ 0.0054398000000000, 0.0080915800000000, 0.0131630800000000 ] - [ -0.0004418000000000, -0.0005274500000000, -0.0009276700000000 ] - [ 0.0001034900000000, -0.0005595600000000, 0.0006781200000000 ] - [ -0.0002110600000000, -0.0003771100000000, 0.0002156000000000 ] - [ 0.0004867000000000, 0.0000465000000000, -0.0017313700000000 ] - [ -0.0008093200000000, -0.0005419200000000, -0.0006594300000000 ] - [ -0.0023406700000000, 0.0069465000000000, -0.0030578900000000 ] - [ 0.0002836700000000, 0.0004754400000000, -0.0003394600000000 ] - [ -0.0000260600000000, 0.0005461300000000, 0.0005685000000000 ] - [ 0.0001834000000000, 0.0004634700000000, 0.0003805400000000 ] - [ -0.0002008400000000, 0.0025903400000000, 0.0021518000000000 ] - [ -0.0004850800000000, 0.0006433000000000, 0.0006967000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000781300000000, -0.0024357900000000, -0.0024767400000000 ] - [ -0.0025586900000000, -0.0014153400000000, -0.0003563900000000 ] - [ -0.0026860300000000, 0.0042103900000000, 0.0043524600000000 ] - [ -0.0008472200000000, 0.0005503100000000, -0.0003873800000000 ] - [ -0.0013866600000000, 0.0006875200000000, 0.0009701500000000 ] - [ -0.0016996100000000, 0.0003949700000000, 0.0006794800000000 ] - [ -0.0097956700000000, -0.0176147200000000, 0.0132835300000000 ] - [ 0.0007624000000000, 0.0007090500000000, -0.0018238900000000 ] - [ 0.0037013100000000, 0.0008840700000000, 0.0014614300000000 ] - [ -0.0010141400000000, 0.0006673700000000, -0.0006512100000000 ] - [ 0.0013843500000000, -0.0011814000000000, 0.0014190100000000 ] - [ 0.0014064700000000, -0.0008973300000000, 0.0011440000000000 ] - [ -0.0008399100000000, -0.0007578700000000, -0.0010501700000000 ] - [ -0.0028006700000000, 0.0001674000000000, -0.0012984600000000 ] - [ -0.0006806900000000, 0.0002267700000000, 0.0009820600000000 ] - [ -0.0011827200000000, -0.0000616900000000, 0.0004811300000000 ] - [ -0.0003078600000000, 0.0016960000000000, 0.0026041200000000 ] - [ -0.0015971400000000, 0.0008834400000000, 0.0009176400000000 ] - [ 0.0001008200000000, 0.0127756500000000, -0.0091189200000000 ] - [ 0.0006237500000000, 0.0001478500000000, -0.0011157000000000 ] - [ 0.0028800200000000, -0.0028134300000000, 0.0023386200000000 ] - [ 0.0000154500000000, -0.0017642400000000, 0.0024836000000000 ] - [ 0.0009664700000000, -0.0001859600000000, 0.0019669400000000 ] - [ 0.0012484400000000, -0.0000164700000000, 0.0008642100000000 ] - [ 0.0007287300000000, -0.0014288900000000, -0.0013396600000000 ] - [ -0.0092219800000000, 0.0159878000000000, 0.0180268400000000 ] - [ 0.0009461000000000, 0.0006373000000000, 0.0015483000000000 ] - [ 0.0012159700000000, 0.0008423000000000, 0.0017297400000000 ] - [ -0.0012512300000000, -0.0020042800000000, 0.0004100800000000 ] - [ 0.0038539100000000, -0.0019329400000000, 0.0011445200000000 ] - [ 0.0026177000000000, 0.0031404500000000, 0.0008805800000000 ] - [ -0.0024113400000000, 0.0020253900000000, -0.0016396600000000 ] - [ -0.0008397600000000, -0.0005034700000000, 0.0013394600000000 ] - [ -0.0011216400000000, -0.0006784200000000, 0.0014584800000000 ] - [ -0.0020398800000000, -0.0026806900000000, 0.0011077400000000 ] - [ -0.0016838200000000, -0.0003597300000000, -0.0002595200000000 ] - [ -0.0000882800000000, -0.0001357000000000, -0.0020381500000000 ] - [ 0.0008395200000000, -0.0103616500000000, -0.0063739300000000 ] - [ 0.0012427000000000, 0.0001867100000000, 0.0003323500000000 ] - [ 0.0013911200000000, 0.0002448900000000, 0.0013511700000000 ] - [ -0.0001259300000000, 0.0024983400000000, 0.0019319100000000 ] - [ 0.0026972500000000, 0.0020977200000000, 0.0023331100000000 ] - [ -0.0001444600000000, 0.0024485600000000, -0.0028316300000000 ] - [ -0.0017033600000000, 0.0003292600000000, -0.0011097600000000 ] - [ -0.0010159000000000, -0.0007127300000000, 0.0003390700000000 ] - [ -0.0019302200000000, -0.0010851700000000, 0.0014324000000000 ] - [ -0.0021332100000000, 0.0004217200000000, 0.0004620700000000 ] - [ -0.0014150000000000, 0.0003492700000000, -0.0001537100000000 ] - [ 0.1084724300000000, -0.0269089000000000, -0.1491369900000000 ] - [ -0.0020721300000000, -0.0010379400000000, -0.0020223200000000 ] - [ -0.0023424800000000, 0.0002425800000000, 0.0025570400000000 ] - [ -0.0030970500000000, 0.0000271800000000, 0.0021600800000000 ] - [ -0.0018378800000000, -0.0007698600000000, 0.0025340300000000 ] - [ -0.0042943900000000, -0.0008707200000000, 0.0021400400000000 ] - [ 0.0007927000000000, 0.0033947800000000, -0.0034462000000000 ] - [ -0.0003330200000000, 0.0012003600000000, -0.0023603600000000 ] - [ 0.0020003100000000, 0.0006088700000000, 0.0006145600000000 ] - [ 0.0008869800000000, 0.0007754400000000, -0.0000994400000000 ] - [ 0.0013861200000000, -0.0004023600000000, 0.0006007600000000 ] - [ 0.0010925200000000, 0.0003628000000000, -0.0001179100000000 ] - [ 0.0061610000000000, -0.0096803100000000, 0.0232772800000000 ] - [ -0.0039825600000000, 0.0003198700000000, -0.0014639800000000 ] - [ 0.0007935400000000, 0.0011172500000000, 0.0034347300000000 ] - [ 0.0002248600000000, 0.0010049300000000, 0.0027727500000000 ] - [ 0.0091057700000000, 0.0121100300000000, 0.0246895100000000 ] - [ -0.0047169200000000, 0.0000778000000000, -0.0021362900000000 ] - [ 0.0019166900000000, 0.0003081300000000, -0.0005139900000000 ] - [ 0.0008980000000000, -0.0003500600000000, 0.0002929000000000 ] - [ 0.0003038200000000, -0.0009767000000000, 0.0020502100000000 ] - [ -0.0000518800000000, -0.0009923400000000, 0.0021775900000000 ] - [ 0.0017018600000000, 0.0001900900000000, -0.0008674100000000 ] - [ 0.0008250700000000, -0.0006086600000000, 0.0002786400000000 ] - [ 0.0018024800000000, -0.0003838400000000, -0.0011751600000000 ] - [ 0.0016912700000000, 0.0006073200000000, -0.0011060400000000 ] - [ 0.0006324800000000, 0.0010647200000000, 0.0013681800000000 ] - [ 0.0001927200000000, 0.0028567800000000, 0.0028360000000000 ] - [ 0.0000169700000000, 0.0007923900000000, 0.0017584100000000 ] - [ 0.0010182700000000, 0.0006167700000000, 0.0010781900000000 ] - [ -0.0097396300000000, -0.0013870000000000, -0.0102461200000000 ] - [ -0.0103091800000000, 0.0016808600000000, -0.0102942600000000 ] - [ 0.0017725400000000, -0.0008733400000000, 0.0033842900000000 ] - [ -0.0003460700000000, -0.0010593100000000, 0.0033825400000000 ] - [ 0.0003002800000000, -0.0013988800000000, 0.0040377000000000 ] - [ 0.0018786800000000, -0.0018369100000000, 0.0040358000000000 ] - [ 0.0001981400000000, -0.0001896000000000, -0.0010810700000000 ] - [ 0.0007657800000000, -0.0010110700000000, -0.0014706000000000 ] - [ 0.0009479000000000, -0.0003995400000000, -0.0011091500000000 ] - [ 0.0006047200000000, -0.0006882500000000, -0.0014976600000000 ] - [ 0.0014221000000000, -0.0002150200000000, 0.0004795500000000 ] - [ 0.0020953600000000, -0.0000264400000000, 0.0012292000000000 ] - [ -0.0272069200000000, 0.0071269600000000, 0.0195234100000000 ] - [ 0.0024393100000000, 0.0011216400000000, -0.0034144300000000 ] - [ 0.0022419500000000, 0.0008036700000000, -0.0034566700000000 ] - [ -0.0167191800000000, -0.0074609900000000, 0.0196388000000000 ] - [ -0.0023628500000000, 0.0003174100000000, 0.0017679300000000 ] - [ -0.0024982000000000, 0.0001784000000000, 0.0017703000000000 ] - [ 0.0050729200000000, -0.0016208300000000, 0.0090220100000000 ] - [ 0.0026864300000000, 0.0066982700000000, 0.0060855600000000 ] - [ 0.0008861300000000, 0.0009651400000000, -0.0047413600000000 ] - [ 0.0009521100000000, 0.0009432000000000, -0.0063017700000000 ] - [ 0.0121599300000000, 0.0031772600000000, -0.0095573600000000 ] - [ -0.0111906100000000, 0.0029135300000000, -0.0092548300000000 ] - [ -0.0028888200000000, -0.0033484300000000, 0.0033500500000000 ] - [ -0.0002652000000000, -0.0013208700000000, 0.0028806900000000 ] - [ -0.0012510700000000, -0.0000872900000000, -0.0026311500000000 ] - [ -0.0001892900000000, -0.0001933100000000, -0.0037572000000000 ] - [ -0.0004388800000000, 0.0009308900000000, -0.0007579400000000 ] - [ -0.0007893800000000, 0.0002302000000000, 0.0002296300000000 ] - [ -0.0009220800000000, 0.0004135500000000, 0.0046555200000000 ] - [ 0.0004603500000000, 0.0000475600000000, 0.0024865900000000 ] - [ -0.0024888900000000, -0.0036549200000000, -0.0011119400000000 ] - [ -0.0007401100000000, -0.0005688200000000, -0.0001949400000000 ] - [ -0.0015930000000000, -0.0007425800000000, -0.0032469500000000 ] - [ -0.0001333600000000, -0.0000750500000000, -0.0024565800000000 ] - [ -0.0433827600000000, 0.0237393700000000, 0.0688109800000000 ] - [ 0.0057222400000000, 0.0025386600000000, 0.0086989200000000 ] - [ -0.0100357000000000, -0.0012445900000000, -0.0105553200000000 ] - [ 0.0095315300000000, -0.0018764300000000, -0.0060475800000000 ] - [ 0.0007535600000000, -0.0006342300000000, -0.0067826900000000 ] - [ 0.0011099800000000, -0.0010275100000000, -0.0049959900000000 ] - [ 0.0058402300000000, 0.0057454900000000, 0.0035059800000000 ] - [ -0.0027101400000000, 0.0004637000000000, 0.0050048700000000 ] - [ -0.0023069500000000, -0.0005667200000000, -0.0000518400000000 ] - [ 0.0035876200000000, -0.0051295800000000, -0.0040990100000000 ] - [ 0.0005053200000000, 0.0008216400000000, -0.0018100200000000 ] - [ -0.0000878900000000, 0.0006309800000000, -0.0018793600000000 ] - [ 0.0033124400000000, -0.0050307600000000, 0.0029500800000000 ] - [ -0.0000526600000000, 0.0003953000000000, 0.0040801200000000 ] - [ -0.0008471500000000, 0.0008278400000000, -0.0001515100000000 ] - [ -0.0002753900000000, 0.0037123200000000, -0.0028176200000000 ] - [ 0.0003536400000000, -0.0009835300000000, -0.0026729700000000 ] - [ -0.0008775000000000, -0.0007827100000000, -0.0023652400000000 ] - [ -0.0076724100000000, -0.0126328700000000, -0.0019485600000000 ] - [ 0.0020103800000000, -0.0005322900000000, 0.0017195000000000 ] - [ -0.0006015500000000, -0.0005306100000000, -0.0029503700000000 ] - [ 0.0002734300000000, -0.0001452200000000, -0.0022451000000000 ] - [ -0.0030319700000000, 0.0065222900000000, -0.0056451200000000 ] - [ 0.0015750100000000, 0.0010856700000000, -0.0003179600000000 ] - [ -0.0047766400000000, 0.0014964300000000, 0.0058609400000000 ] - [ 0.0018295400000000, 0.0006627300000000, 0.0021787200000000 ] - [ -0.0002243800000000, 0.0007962300000000, -0.0021682700000000 ] - [ 0.0007034600000000, 0.0004292600000000, -0.0013636000000000 ] - [ 0.0005077600000000, -0.0058358300000000, -0.0035885700000000 ] - [ 0.0010898800000000, -0.0011841600000000, 0.0003428700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025808000000000, 0.0024626700000000, 0.0019515200000000 ] - [ 0.0000609500000000, 0.0014499900000000, -0.0001711900000000 ] - [ 0.0002071700000000, -0.0042056600000000, -0.0048526000000000 ] - [ -0.0016572100000000, -0.0005282200000000, -0.0000809400000000 ] - [ -0.0011248300000000, -0.0006599000000000, -0.0014909900000000 ] - [ -0.0008090300000000, -0.0003658200000000, -0.0012007600000000 ] - [ 0.0123893100000000, 0.0177316200000000, -0.0138944800000000 ] - [ 0.0017368900000000, -0.0007412500000000, 0.0012975400000000 ] - [ -0.0011947300000000, -0.0008914600000000, -0.0019208300000000 ] - [ 0.0035034300000000, -0.0007000600000000, 0.0001836100000000 ] - [ 0.0011267500000000, 0.0011581000000000, -0.0019391800000000 ] - [ 0.0011025500000000, 0.0008783700000000, -0.0016648200000000 ] - [ -0.0016680300000000, 0.0007442100000000, 0.0015175000000000 ] - [ 0.0002947200000000, -0.0001907600000000, 0.0017557200000000 ] - [ -0.0018183000000000, -0.0002607300000000, -0.0004567000000000 ] - [ -0.0013184700000000, 0.0000342100000000, 0.0000496100000000 ] - [ -0.0022092600000000, -0.0017257700000000, -0.0020962100000000 ] - [ -0.0009088400000000, -0.0009142700000000, -0.0003989900000000 ] - [ 0.0023221600000000, -0.0127215100000000, 0.0096761500000000 ] - [ 0.0018810000000000, -0.0001189800000000, 0.0015796300000000 ] - [ -0.0003690100000000, 0.0028266000000000, -0.0017985000000000 ] - [ 0.0024825900000000, 0.0017941500000000, -0.0019571600000000 ] - [ 0.0015459100000000, 0.0002111000000000, -0.0014491300000000 ] - [ 0.0012570600000000, 0.0000401000000000, -0.0003391900000000 ] - [ 0.0017756300000000, 0.0013922900000000, 0.0018507700000000 ] - [ 0.0115576500000000, -0.0157968800000000, -0.0172856100000000 ] - [ 0.0015538600000000, -0.0006707600000000, -0.0010858900000000 ] - [ 0.0012863700000000, -0.0008653300000000, -0.0012658200000000 ] - [ 0.0037585700000000, 0.0019858700000000, 0.0001253000000000 ] - [ -0.0013602600000000, 0.0019097800000000, -0.0006010600000000 ] - [ -0.0051388300000000, -0.0031196200000000, -0.0003671400000000 ] - [ -0.0001030400000000, -0.0019864100000000, 0.0021462600000000 ] - [ -0.0016585200000000, 0.0005300700000000, -0.0008790300000000 ] - [ -0.0013779200000000, 0.0007155700000000, -0.0009969600000000 ] - [ -0.0004544100000000, 0.0027129300000000, -0.0005705700000000 ] - [ -0.0008101100000000, 0.0003807100000000, 0.0008047400000000 ] - [ 0.0025996200000000, 0.0001633300000000, 0.0015139400000000 ] - [ 0.0017278200000000, 0.0104896500000000, 0.0057923100000000 ] - [ 0.0012542800000000, -0.0001566100000000, -0.0008640800000000 ] - [ 0.0011055300000000, -0.0002191100000000, -0.0018821300000000 ] - [ 0.0026315300000000, -0.0024807000000000, -0.0023976600000000 ] - [ -0.0002063600000000, -0.0020712300000000, -0.0028030600000000 ] - [ -0.0023700700000000, -0.0024684700000000, 0.0023086100000000 ] - [ -0.0008027100000000, -0.0003435600000000, 0.0005850900000000 ] - [ -0.0014759500000000, 0.0006776000000000, -0.0008729300000000 ] - [ -0.0005694700000000, 0.0010531600000000, -0.0019614100000000 ] - [ -0.0003572400000000, -0.0004595700000000, -0.0009212400000000 ] - [ -0.0010889600000000, -0.0003790300000000, -0.0003044500000000 ] - [ -0.1126303100000000, 0.0278176400000000, 0.1495327600000000 ] - [ 0.0001557300000000, -0.0002754400000000, 0.0006680700000000 ] - [ 0.0004347300000000, -0.0015474000000000, -0.0038173300000000 ] - [ 0.0011979400000000, -0.0013402600000000, -0.0034244600000000 ] - [ -0.0000675500000000, -0.0005172600000000, -0.0038407700000000 ] - [ 0.0023925900000000, -0.0004181600000000, -0.0034455000000000 ] - [ 0.0011099400000000, -0.0020831600000000, 0.0020892100000000 ] - [ 0.0022312200000000, 0.0001201800000000, 0.0009981500000000 ] - [ -0.0001007100000000, 0.0007037300000000, -0.0018853900000000 ] - [ 0.0010127800000000, 0.0005399400000000, -0.0011635900000000 ] - [ 0.0005246500000000, 0.0016865200000000, -0.0018989500000000 ] - [ 0.0008205300000000, 0.0009213500000000, -0.0011817400000000 ] - [ -0.0079974100000000, 0.0108072200000000, -0.0216226000000000 ] - [ 0.0020674700000000, 0.0009945200000000, 0.0028093900000000 ] - [ -0.0026995600000000, 0.0001709800000000, -0.0021301100000000 ] - [ -0.0021307100000000, 0.0002831500000000, -0.0014672200000000 ] - [ -0.0110934300000000, -0.0109604900000000, -0.0237081400000000 ] - [ 0.0028165200000000, 0.0012335800000000, 0.0034051800000000 ] - [ -0.0000138100000000, -0.0016221400000000, 0.0018668500000000 ] - [ 0.0010053700000000, -0.0009616800000000, 0.0010589700000000 ] - [ 0.0016073100000000, -0.0003086000000000, -0.0007500800000000 ] - [ 0.0019554100000000, -0.0003022800000000, -0.0008726000000000 ] - [ 0.0001989200000000, -0.0015089800000000, 0.0021400000000000 ] - [ 0.0010764300000000, -0.0007038300000000, 0.0009885200000000 ] - [ 0.0000996700000000, 0.0016767500000000, 0.0024805900000000 ] - [ 0.0002185400000000, 0.0006763900000000, 0.0024051200000000 ] - [ 0.0012730600000000, 0.0002473900000000, -0.0001092000000000 ] - [ 0.0017136900000000, -0.0015349800000000, -0.0015745800000000 ] - [ 0.0018885800000000, 0.0005228600000000, -0.0004010700000000 ] - [ 0.0008794200000000, 0.0006939200000000, 0.0002837400000000 ] - [ 0.0076867900000000, 0.0001350100000000, 0.0115717200000000 ] - [ 0.0084185000000000, -0.0029557600000000, 0.0115218500000000 ] - [ -0.0036676200000000, -0.0004342300000000, -0.0021151000000000 ] - [ -0.0015585300000000, -0.0002568000000000, -0.0021173200000000 ] - [ -0.0022024000000000, 0.0000839300000000, -0.0026803800000000 ] - [ -0.0037914900000000, 0.0005280000000000, -0.0026823200000000 ] - [ 0.0017066600000000, -0.0011189300000000, -0.0001738800000000 ] - [ 0.0011387100000000, -0.0002990800000000, 0.0002128100000000 ] - [ 0.0009541500000000, -0.0008920500000000, -0.0002018400000000 ] - [ 0.0012968900000000, -0.0006055200000000, 0.0001858700000000 ] - [ 0.0004819000000000, -0.0010987800000000, -0.0018388600000000 ] - [ -0.0001957700000000, -0.0012901900000000, -0.0025887900000000 ] - [ 0.0254302600000000, -0.0058586400000000, -0.0209459000000000 ] - [ -0.0043564000000000, 0.0001894000000000, 0.0021681000000000 ] - [ -0.0041348200000000, 0.0004909700000000, 0.0021251800000000 ] - [ 0.0148077100000000, 0.0087376600000000, -0.0208320000000000 ] - [ 0.0004622400000000, 0.0009980100000000, -0.0031249100000000 ] - [ 0.0005899500000000, 0.0011287900000000, -0.0031222000000000 ] - [ -0.0031633000000000, 0.0016006400000000, -0.0089569600000000 ] - [ -0.0020624000000000, -0.0071750600000000, -0.0055414400000000 ] - [ 0.0009793700000000, -0.0009624300000000, 0.0047265100000000 ] - [ 0.0009204300000000, -0.0009385900000000, 0.0062774800000000 ] - [ -0.0103094000000000, -0.0031701100000000, 0.0095679800000000 ] - [ 0.0131279500000000, -0.0029622300000000, 0.0092737600000000 ] - [ 0.0010326700000000, 0.0033443200000000, -0.0033455100000000 ] - [ -0.0016034700000000, 0.0013109800000000, -0.0028651800000000 ] - [ -0.0006230600000000, 0.0000956200000000, 0.0026195900000000 ] - [ -0.0016812900000000, 0.0001861400000000, 0.0037415900000000 ] - [ -0.0014376100000000, -0.0009239100000000, 0.0007594100000000 ] - [ -0.0010805600000000, -0.0002261600000000, -0.0002271200000000 ] - [ -0.0009440600000000, -0.0004132500000000, -0.0046832200000000 ] - [ -0.0023277000000000, -0.0000561000000000, -0.0025063400000000 ] - [ 0.0006192100000000, 0.0036681800000000, 0.0011444100000000 ] - [ -0.0011239200000000, 0.0005673200000000, 0.0002183600000000 ] - [ -0.0002718100000000, 0.0007469500000000, 0.0032434300000000 ] - [ -0.0017330800000000, 0.0000790400000000, 0.0024510200000000 ] - [ 0.0488253800000000, -0.0256330300000000, -0.0712651700000000 ] - [ -0.0038393700000000, -0.0025401500000000, -0.0087270100000000 ] - [ 0.0118514300000000, 0.0012306400000000, 0.0105528400000000 ] - [ -0.0076480300000000, 0.0018915400000000, 0.0060729400000000 ] - [ 0.0011087100000000, 0.0006277700000000, 0.0067866500000000 ] - [ 0.0007587700000000, 0.0010248900000000, 0.0049956800000000 ] - [ -0.0058445000000000, -0.0057439400000000, -0.0028597500000000 ] - [ 0.0026790100000000, -0.0004315500000000, -0.0043567000000000 ] - [ 0.0023030200000000, 0.0005604200000000, 0.0007364700000000 ] - [ -0.0035958100000000, 0.0050922000000000, 0.0047630700000000 ] - [ -0.0005069400000000, -0.0008223300000000, 0.0024763300000000 ] - [ 0.0000856100000000, -0.0006358800000000, 0.0025433200000000 ] - [ -0.0032974900000000, 0.0050243200000000, -0.0036326800000000 ] - [ 0.0000388800000000, -0.0004216400000000, -0.0047867400000000 ] - [ 0.0008434000000000, -0.0008257400000000, -0.0005081200000000 ] - [ 0.0002827700000000, -0.0037017400000000, 0.0021510800000000 ] - [ -0.0003587400000000, 0.0009885300000000, 0.0020070500000000 ] - [ 0.0008857100000000, 0.0007862000000000, 0.0016946300000000 ] - [ 0.0076899400000000, 0.0127341700000000, 0.0014163600000000 ] - [ -0.0020025300000000, 0.0005351900000000, -0.0023792200000000 ] - [ 0.0006001000000000, 0.0005253000000000, 0.0022737800000000 ] - [ -0.0002688400000000, 0.0001446900000000, 0.0015693900000000 ] - [ 0.0030457900000000, -0.0065250500000000, 0.0049710700000000 ] - [ -0.0015826000000000, -0.0010893500000000, -0.0003581500000000 ] - [ 0.0048015000000000, -0.0015391200000000, -0.0051653100000000 ] - [ -0.0018297800000000, -0.0006642300000000, -0.0015047800000000 ] - [ 0.0002231400000000, -0.0007889100000000, 0.0028369000000000 ] - [ -0.0007032000000000, -0.0004269200000000, 0.0020342900000000 ] - [ -0.0005140600000000, 0.0058716600000000, 0.0042782800000000 ] - [ -0.0010919600000000, 0.0011870500000000, 0.0003229200000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0033771200000000, 0.0001939500000000, 0.0008758900000000 ] - [ 0.0035455500000000, 0.0017974100000000, -0.0015513100000000 ] - [ -0.0047494500000000, 0.0013213800000000, 0.0027564400000000 ] - [ 0.0029597100000000, -0.0020403400000000, -0.0048114600000000 ] - [ -0.0020914900000000, 0.0001530600000000, 0.0003344300000000 ] - [ -0.0003441500000000, -0.0003628600000000, -0.0012126600000000 ] - [ -0.0014688500000000, 0.0073876100000000, -0.0084065300000000 ] - [ -0.0033769300000000, -0.0092829000000000, 0.0067748200000000 ] - [ -0.0003593900000000, 0.0097908400000000, 0.0025570700000000 ] - [ -0.0039690500000000, -0.0081140400000000, -0.0014802500000000 ] - [ 0.0015547200000000, 0.0000211100000000, 0.0002427700000000 ] - [ 0.0008404700000000, 0.0000081400000000, -0.0009160600000000 ] - [ -0.0047494500000000, -0.0013213800000000, -0.0027564400000000 ] - [ 0.0029597100000000, 0.0020403400000000, 0.0048114600000000 ] - [ -0.0033771200000000, -0.0001939500000000, -0.0008758900000000 ] - [ 0.0035455500000000, -0.0017974100000000, 0.0015513100000000 ] - [ -0.0020914900000000, -0.0001530600000000, -0.0003344300000000 ] - [ -0.0003441500000000, 0.0003628600000000, 0.0012126600000000 ] - [ -0.0003593900000000, -0.0097908400000000, -0.0025570700000000 ] - [ -0.0039690500000000, 0.0081140400000000, 0.0014802500000000 ] - [ -0.0014688500000000, -0.0073876100000000, 0.0084065300000000 ] - [ -0.0033769300000000, 0.0092829000000000, -0.0067748200000000 ] - [ 0.0015547200000000, -0.0000211100000000, -0.0002427700000000 ] - [ 0.0008404700000000, -0.0000081400000000, 0.0009160600000000 ] - [ 0.0187938100000000, 0.0209724800000000, 0.0082010900000000 ] - [ -0.0032430600000000, -0.0005948200000000, 0.0013805000000000 ] - [ 0.0031305100000000, 0.0005885500000000, -0.0001416200000000 ] - [ -0.0002331400000000, -0.0001703000000000, 0.0005900000000000 ] - [ 0.0049481300000000, -0.0010547900000000, -0.0009180100000000 ] - [ -0.0016838500000000, -0.0001575300000000, 0.0010020100000000 ] - [ 0.0004081900000000, 0.0009516900000000, 0.0008612000000000 ] - [ -0.0051904700000000, -0.0025158700000000, -0.0009077700000000 ] - [ -0.0008558200000000, -0.0002300000000000, 0.0004696100000000 ] - [ -0.0018381000000000, -0.0000604200000000, -0.0002077800000000 ] - [ -0.0029436600000000, 0.0033720600000000, -0.0039717300000000 ] - [ -0.0014179900000000, -0.0011946300000000, 0.0011632600000000 ] - [ 0.0187938100000000, -0.0209724800000000, -0.0082010900000000 ] - [ -0.0032430600000000, 0.0005948200000000, -0.0013805000000000 ] - [ 0.0049481300000000, 0.0010547900000000, 0.0009180100000000 ] - [ -0.0016838500000000, 0.0001575300000000, -0.0010020100000000 ] - [ 0.0031305100000000, -0.0005885500000000, 0.0001416200000000 ] - [ -0.0002331400000000, 0.0001703000000000, -0.0005900000000000 ] - [ 0.0004081900000000, -0.0009516900000000, -0.0008612000000000 ] - [ -0.0051904700000000, 0.0025158700000000, 0.0009077700000000 ] - [ -0.0029436600000000, -0.0033720600000000, 0.0039717300000000 ] - [ -0.0014179900000000, 0.0011946300000000, -0.0011632600000000 ] - [ -0.0008558200000000, 0.0002300000000000, -0.0004696100000000 ] - [ -0.0018381000000000, 0.0000604200000000, 0.0002077800000000 ] - [ -0.0148767900000000, -0.0000477000000000, 0.0034736200000000 ] - [ 0.0131750000000000, 0.0136119700000000, 0.0010930000000000 ] - [ -0.0114315000000000, 0.0040612100000000, 0.0106374800000000 ] - [ 0.0071360500000000, -0.0046672700000000, -0.0128501000000000 ] - [ -0.0023353700000000, -0.0008638700000000, -0.0006988900000000 ] - [ 0.0004756300000000, -0.0008435700000000, -0.0006360500000000 ] - [ 0.0004814100000000, 0.0018599300000000, -0.0013517700000000 ] - [ 0.0013209600000000, -0.0016742800000000, 0.0012890800000000 ] - [ 0.0008436100000000, 0.0007034900000000, -0.0007799600000000 ] - [ 0.0008284500000000, 0.0000779200000000, -0.0011291600000000 ] - [ 0.0008018600000000, 0.0017968400000000, -0.0014011900000000 ] - [ 0.0009507000000000, 0.0002848900000000, -0.0003360300000000 ] - [ -0.0148767900000000, 0.0000477000000000, -0.0034736200000000 ] - [ 0.0131750000000000, -0.0136119700000000, -0.0010930000000000 ] - [ -0.0023353700000000, 0.0008638700000000, 0.0006988900000000 ] - [ 0.0004756300000000, 0.0008435700000000, 0.0006360500000000 ] - [ -0.0114315000000000, -0.0040612100000000, -0.0106374800000000 ] - [ 0.0071360500000000, 0.0046672700000000, 0.0128501000000000 ] - [ 0.0004814100000000, -0.0018599300000000, 0.0013517700000000 ] - [ 0.0013209600000000, 0.0016742800000000, -0.0012890800000000 ] - [ 0.0008018600000000, -0.0017968400000000, 0.0014011900000000 ] - [ 0.0009507000000000, -0.0002848900000000, 0.0003360300000000 ] - [ 0.0008436100000000, -0.0007034900000000, 0.0007799600000000 ] - [ 0.0008284500000000, -0.0000779200000000, 0.0011291600000000 ] - [ 0.0031410700000000, 0.0021282600000000, 0.0006618700000000 ] - [ -0.0013910500000000, 0.0008353700000000, 0.0020505100000000 ] - [ 0.0026445200000000, -0.0002213100000000, -0.0009262300000000 ] - [ -0.0001335900000000, 0.0000772400000000, 0.0008231100000000 ] - [ 0.0019632700000000, 0.0005670400000000, 0.0000131000000000 ] - [ -0.0001771500000000, 0.0008907800000000, 0.0014816900000000 ] - [ 0.0627471600000000, -0.0302889300000000, 0.0448822800000000 ] - [ -0.0143136300000000, -0.0002374000000000, -0.0041445000000000 ] - [ 0.0058397900000000, 0.0020869900000000, 0.0116011900000000 ] - [ -0.0124330200000000, -0.0023793600000000, -0.0079930400000000 ] - [ 0.0001051800000000, -0.0007891500000000, 0.0008584600000000 ] - [ -0.0018099600000000, -0.0005087800000000, 0.0005031800000000 ] - [ 0.0026445200000000, 0.0002213100000000, 0.0009262300000000 ] - [ -0.0001335900000000, -0.0000772400000000, -0.0008231100000000 ] - [ 0.0031410700000000, -0.0021282600000000, -0.0006618700000000 ] - [ -0.0013910500000000, -0.0008353700000000, -0.0020505100000000 ] - [ 0.0019632700000000, -0.0005670400000000, -0.0000131000000000 ] - [ -0.0001771500000000, -0.0008907800000000, -0.0014816900000000 ] - [ 0.0058397900000000, -0.0020869900000000, -0.0116011900000000 ] - [ -0.0124330200000000, 0.0023793600000000, 0.0079930400000000 ] - [ 0.0627471600000000, 0.0302889300000000, -0.0448822800000000 ] - [ -0.0143136300000000, 0.0002374000000000, 0.0041445000000000 ] - [ 0.0001051800000000, 0.0007891500000000, -0.0008584600000000 ] - [ -0.0018099600000000, 0.0005087800000000, -0.0005031800000000 ] - [ -0.2798416100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0269427500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0125863900000000, -0.0014751600000000, -0.0009784600000000 ] - [ 0.0117545800000000, 0.0000993500000000, 0.0005886800000000 ] - [ -0.0125863900000000, 0.0014751600000000, 0.0009784600000000 ] - [ 0.0117545800000000, -0.0000993500000000, -0.0005886800000000 ] - [ -0.0024482700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0028363800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0030827000000000, 0.0029981800000000, -0.0004449000000000 ] - [ 0.0003958100000000, -0.0000425500000000, 0.0010885300000000 ] - [ -0.0030827000000000, -0.0029981800000000, 0.0004449000000000 ] - [ 0.0003958100000000, 0.0000425500000000, -0.0010885300000000 ] - [ 0.0022039200000000, 0.0003970900000000, 0.0003226800000000 ] - [ -0.0046609300000000, -0.0032942300000000, -0.0027157000000000 ] - [ 0.0022039200000000, -0.0003970900000000, -0.0003226800000000 ] - [ -0.0046609300000000, 0.0032942300000000, 0.0027157000000000 ] - [ 0.0009492800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0021672700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0424174000000000, 0.0160939900000000, 0.0406486700000000 ] - [ 0.0425620100000000, -0.0161799400000000, -0.0456383400000000 ] - [ 0.0424174000000000, -0.0160939900000000, -0.0406486700000000 ] - [ 0.0425620100000000, 0.0161799400000000, 0.0456383400000000 ] - [ 0.0008210600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008197700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0115489300000000, -0.0151784600000000, 0.0109774100000000 ] - [ 0.0059462800000000, 0.0029460900000000, -0.0006545500000000 ] - [ -0.0093325200000000, -0.0036560200000000, -0.0000554900000000 ] - [ 0.0073843000000000, 0.0026367700000000, 0.0008717900000000 ] - [ -0.0011873500000000, -0.0002605600000000, 0.0004200500000000 ] - [ 0.0012295900000000, 0.0002831000000000, 0.0005674700000000 ] - [ -0.0093325200000000, 0.0036560200000000, 0.0000554900000000 ] - [ 0.0073843000000000, -0.0026367700000000, -0.0008717900000000 ] - [ -0.0115489300000000, 0.0151784600000000, -0.0109774100000000 ] - [ 0.0059462800000000, -0.0029460900000000, 0.0006545500000000 ] - [ -0.0011873500000000, 0.0002605600000000, -0.0004200500000000 ] - [ 0.0012295900000000, -0.0002831000000000, -0.0005674700000000 ] - [ 0.0077338500000000, -0.0096103200000000, -0.0020502300000000 ] - [ 0.0039450100000000, 0.0230493200000000, 0.0072331500000000 ] - [ 0.0003495500000000, -0.0017841200000000, -0.0020428400000000 ] - [ -0.0002691600000000, 0.0022329800000000, 0.0023886100000000 ] - [ 0.0033406500000000, -0.0022343200000000, 0.0021535300000000 ] - [ -0.0031421900000000, 0.0029826600000000, -0.0032890300000000 ] - [ 0.0077338500000000, 0.0096103200000000, 0.0020502300000000 ] - [ 0.0039450100000000, -0.0230493200000000, -0.0072331500000000 ] - [ 0.0033406500000000, 0.0022343200000000, -0.0021535300000000 ] - [ -0.0031421900000000, -0.0029826600000000, 0.0032890300000000 ] - [ 0.0003495500000000, 0.0017841200000000, 0.0020428400000000 ] - [ -0.0002691600000000, -0.0022329800000000, -0.0023886100000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008595400000000, -0.0001681900000000, -0.0013965200000000 ] - [ -0.0060034600000000, -0.0017565500000000, 0.0010120500000000 ] - [ 0.0022267000000000, -0.0013067900000000, -0.0032076000000000 ] - [ -0.0054288300000000, 0.0020113000000000, 0.0043025000000000 ] - [ -0.0004268600000000, -0.0001326500000000, -0.0008534600000000 ] - [ -0.0021556500000000, 0.0003873200000000, 0.0006842800000000 ] - [ 0.0039342000000000, -0.0073846800000000, 0.0078225500000000 ] - [ 0.0058456200000000, 0.0091934100000000, -0.0072575700000000 ] - [ 0.0028842600000000, -0.0098208600000000, -0.0030957100000000 ] - [ 0.0064472400000000, 0.0080259900000000, 0.0009997600000000 ] - [ 0.0009560800000000, -0.0000487000000000, -0.0007599100000000 ] - [ 0.0016664400000000, -0.0000310700000000, 0.0003908600000000 ] - [ 0.0022267000000000, 0.0013067900000000, 0.0032076000000000 ] - [ -0.0054288300000000, -0.0020113000000000, -0.0043025000000000 ] - [ 0.0008595400000000, 0.0001681900000000, 0.0013965200000000 ] - [ -0.0060034600000000, 0.0017565500000000, -0.0010120500000000 ] - [ -0.0004268600000000, 0.0001326500000000, 0.0008534600000000 ] - [ -0.0021556500000000, -0.0003873200000000, -0.0006842800000000 ] - [ 0.0028842600000000, 0.0098208600000000, 0.0030957100000000 ] - [ 0.0064472400000000, -0.0080259900000000, -0.0009997600000000 ] - [ 0.0039342000000000, 0.0073846800000000, -0.0078225500000000 ] - [ 0.0058456200000000, -0.0091934100000000, 0.0072575700000000 ] - [ 0.0009560800000000, 0.0000487000000000, 0.0007599100000000 ] - [ 0.0016664400000000, 0.0000310700000000, -0.0003908600000000 ] - [ -0.0167923700000000, -0.0214816800000000, -0.0078849400000000 ] - [ 0.0057215900000000, 0.0005471700000000, -0.0008590700000000 ] - [ -0.0006130300000000, -0.0006137400000000, 0.0005985100000000 ] - [ 0.0027229100000000, 0.0001388200000000, -0.0001280900000000 ] - [ -0.0024177700000000, 0.0010067500000000, 0.0014239300000000 ] - [ 0.0041584500000000, 0.0001225100000000, -0.0004617100000000 ] - [ -0.0029441700000000, -0.0009000000000000, -0.0003467900000000 ] - [ 0.0026651000000000, 0.0025238200000000, 0.0014259200000000 ] - [ -0.0016427700000000, 0.0002536700000000, -0.0000033300000000 ] - [ -0.0006678900000000, 0.0000877400000000, 0.0006667600000000 ] - [ 0.0004222100000000, -0.0033088000000000, 0.0044518600000000 ] - [ -0.0010788800000000, 0.0012144900000000, -0.0006217700000000 ] - [ -0.0167923700000000, 0.0214816800000000, 0.0078849400000000 ] - [ 0.0057215900000000, -0.0005471700000000, 0.0008590700000000 ] - [ -0.0024177700000000, -0.0010067500000000, -0.0014239300000000 ] - [ 0.0041584500000000, -0.0001225100000000, 0.0004617100000000 ] - [ -0.0006130300000000, 0.0006137400000000, -0.0005985100000000 ] - [ 0.0027229100000000, -0.0001388200000000, 0.0001280900000000 ] - [ -0.0029441700000000, 0.0009000000000000, 0.0003467900000000 ] - [ 0.0026651000000000, -0.0025238200000000, -0.0014259200000000 ] - [ 0.0004222100000000, 0.0033088000000000, -0.0044518600000000 ] - [ -0.0010788800000000, -0.0012144900000000, 0.0006217700000000 ] - [ -0.0016427700000000, -0.0002536700000000, 0.0000033300000000 ] - [ -0.0006678900000000, -0.0000877400000000, -0.0006667600000000 ] - [ 0.0128355100000000, -0.0012649200000000, -0.0047611800000000 ] - [ -0.0138059700000000, -0.0140796900000000, -0.0036394100000000 ] - [ 0.0094593000000000, -0.0053415700000000, -0.0118318000000000 ] - [ -0.0089809300000000, 0.0033069700000000, 0.0114673900000000 ] - [ 0.0004187600000000, -0.0004291700000000, -0.0006045100000000 ] - [ -0.0023721800000000, -0.0004495100000000, -0.0006686600000000 ] - [ 0.0014058000000000, -0.0005464100000000, -0.0000133700000000 ] - [ 0.0005856200000000, 0.0029735600000000, -0.0026316800000000 ] - [ 0.0010507400000000, 0.0006096400000000, -0.0004883400000000 ] - [ 0.0010805100000000, 0.0012262300000000, -0.0001314000000000 ] - [ 0.0011024700000000, -0.0005035500000000, 0.0000908400000000 ] - [ 0.0009591600000000, 0.0009997200000000, -0.0009639900000000 ] - [ 0.0128355100000000, 0.0012649200000000, 0.0047611800000000 ] - [ -0.0138059700000000, 0.0140796900000000, 0.0036394100000000 ] - [ 0.0004187600000000, 0.0004291700000000, 0.0006045100000000 ] - [ -0.0023721800000000, 0.0004495100000000, 0.0006686600000000 ] - [ 0.0094593000000000, 0.0053415700000000, 0.0118318000000000 ] - [ -0.0089809300000000, -0.0033069700000000, -0.0114673900000000 ] - [ 0.0014058000000000, 0.0005464100000000, 0.0000133700000000 ] - [ 0.0005856200000000, -0.0029735600000000, 0.0026316800000000 ] - [ 0.0011024700000000, 0.0005035500000000, -0.0000908400000000 ] - [ 0.0009591600000000, -0.0009997200000000, 0.0009639900000000 ] - [ 0.0010507400000000, -0.0006096400000000, 0.0004883400000000 ] - [ 0.0010805100000000, -0.0012262300000000, 0.0001314000000000 ] - [ -0.0012135100000000, -0.0008273200000000, 0.0006397900000000 ] - [ 0.0032821900000000, 0.0004522800000000, -0.0007380100000000 ] - [ -0.0007199000000000, 0.0015460400000000, 0.0021819500000000 ] - [ 0.0020279100000000, 0.0012284100000000, 0.0004391200000000 ] - [ -0.0000453800000000, 0.0007433700000000, 0.0013329300000000 ] - [ 0.0020686600000000, 0.0004212100000000, -0.0001180000000000 ] - [ -0.0678240300000000, 0.0309034900000000, -0.0473292700000000 ] - [ 0.0122529400000000, -0.0010470900000000, 0.0054171500000000 ] - [ -0.0077071900000000, -0.0033894500000000, -0.0102863900000000 ] - [ 0.0104347500000000, 0.0010451400000000, 0.0091871900000000 ] - [ -0.0020011000000000, -0.0005283100000000, 0.0005023600000000 ] - [ -0.0001011100000000, -0.0008024500000000, 0.0008539100000000 ] - [ -0.0007199000000000, -0.0015460400000000, -0.0021819500000000 ] - [ 0.0020279100000000, -0.0012284100000000, -0.0004391200000000 ] - [ -0.0012135100000000, 0.0008273200000000, -0.0006397900000000 ] - [ 0.0032821900000000, -0.0004522800000000, 0.0007380100000000 ] - [ -0.0000453800000000, -0.0007433700000000, -0.0013329300000000 ] - [ 0.0020686600000000, -0.0004212100000000, 0.0001180000000000 ] - [ -0.0077071900000000, 0.0033894500000000, 0.0102863900000000 ] - [ 0.0104347500000000, -0.0010451400000000, -0.0091871900000000 ] - [ -0.0678240300000000, -0.0309034900000000, 0.0473292700000000 ] - [ 0.0122529400000000, 0.0010470900000000, -0.0054171500000000 ] - [ -0.0020011000000000, 0.0005283100000000, -0.0005023600000000 ] - [ -0.0001011100000000, 0.0008024500000000, -0.0008539100000000 ] - [ 0.2857799900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0248246500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0143600000000000, 0.0014508500000000, 0.0009775800000000 ] - [ -0.0098022900000000, -0.0001038300000000, -0.0005813600000000 ] - [ 0.0143600000000000, -0.0014508500000000, -0.0009775800000000 ] - [ -0.0098022900000000, 0.0001038300000000, 0.0005813600000000 ] - [ 0.0005819600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0046845000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012016800000000, -0.0029749100000000, 0.0004124000000000 ] - [ -0.0022621000000000, 0.0000415500000000, -0.0010953000000000 ] - [ 0.0012016800000000, 0.0029749100000000, -0.0004124000000000 ] - [ -0.0022621000000000, -0.0000415500000000, 0.0010953000000000 ] - [ -0.0040392400000000, -0.0004032900000000, -0.0003434700000000 ] - [ 0.0027443000000000, 0.0032551700000000, 0.0026747000000000 ] - [ -0.0040392400000000, 0.0004032900000000, 0.0003434700000000 ] - [ 0.0027443000000000, -0.0032551700000000, -0.0026747000000000 ] - [ -0.0027936500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002849500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0403500800000000, -0.0159058200000000, -0.0405950200000000 ] - [ -0.0402060100000000, 0.0159616100000000, 0.0450717400000000 ] - [ -0.0403500800000000, 0.0159058200000000, 0.0405950200000000 ] - [ -0.0402060100000000, -0.0159616100000000, -0.0450717400000000 ] - [ 0.0010452400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010432100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0114918800000000, 0.0150866600000000, -0.0102008500000000 ] - [ -0.0059028700000000, -0.0029107100000000, 0.0013103500000000 ] - [ 0.0093416800000000, 0.0035961500000000, 0.0006854600000000 ] - [ -0.0073415200000000, -0.0026073400000000, -0.0001881500000000 ] - [ 0.0011765300000000, 0.0002642600000000, 0.0002485100000000 ] - [ -0.0012201800000000, -0.0002786700000000, 0.0001046100000000 ] - [ 0.0093416800000000, -0.0035961500000000, -0.0006854600000000 ] - [ -0.0073415200000000, 0.0026073400000000, 0.0001881500000000 ] - [ 0.0114918800000000, -0.0150866600000000, 0.0102008500000000 ] - [ -0.0059028700000000, 0.0029107100000000, -0.0013103500000000 ] - [ 0.0011765300000000, -0.0002642600000000, -0.0002485100000000 ] - [ -0.0012201800000000, 0.0002786700000000, -0.0001046100000000 ] - [ -0.0077017600000000, 0.0096349400000000, 0.0013333000000000 ] - [ -0.0039647300000000, -0.0228261700000000, -0.0078562800000000 ] - [ -0.0003385700000000, 0.0017826100000000, 0.0013619600000000 ] - [ 0.0002633900000000, -0.0022079300000000, -0.0030405200000000 ] - [ -0.0033130400000000, 0.0022291200000000, -0.0028157200000000 ] - [ 0.0031149500000000, -0.0029583500000000, 0.0025964200000000 ] - [ -0.0077017600000000, -0.0096349400000000, -0.0013333000000000 ] - [ -0.0039647300000000, 0.0228261700000000, 0.0078562800000000 ] - [ -0.0033130400000000, -0.0022291200000000, 0.0028157200000000 ] - [ 0.0031149500000000, 0.0029583500000000, -0.0025964200000000 ] - [ -0.0003385700000000, -0.0017826100000000, -0.0013619600000000 ] - [ 0.0002633900000000, 0.0022079300000000, 0.0030405200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016777600000000, -0.0020608200000000, -0.0006235900000000 ] - [ -0.0036734300000000, -0.0053993000000000, -0.0000591200000000 ] - [ -0.0009085600000000, -0.0021763300000000, -0.0019725800000000 ] - [ -0.0044627100000000, -0.0150812700000000, -0.0067686600000000 ] - [ -0.0012100700000000, -0.0003811400000000, -0.0004851800000000 ] - [ -0.0013938000000000, -0.0002911700000000, -0.0004098700000000 ] - [ 0.0041381700000000, 0.0002878900000000, 0.0031893700000000 ] - [ -0.0002216400000000, -0.0016350300000000, 0.0020988300000000 ] - [ 0.0079458600000000, 0.0107652300000000, -0.0035214400000000 ] - [ -0.0038732000000000, 0.0090617000000000, -0.0073030700000000 ] - [ 0.0012481300000000, 0.0005377900000000, -0.0003351700000000 ] - [ 0.0011593700000000, 0.0005428600000000, -0.0004069200000000 ] - [ -0.0016040500000000, -0.0022029900000000, -0.0015173000000000 ] - [ 0.0019817800000000, -0.0151417800000000, -0.0063039100000000 ] - [ -0.0008268700000000, -0.0020906800000000, -0.0000974200000000 ] - [ 0.0011996600000000, -0.0054441400000000, 0.0004752000000000 ] - [ -0.0013050800000000, -0.0004085400000000, 0.0000301900000000 ] - [ -0.0011119100000000, -0.0003206600000000, 0.0001122500000000 ] - [ -0.0054108000000000, 0.0107341000000000, -0.0030091400000000 ] - [ 0.0063635500000000, 0.0090914600000000, -0.0068275400000000 ] - [ -0.0016362000000000, 0.0003050800000000, 0.0037241800000000 ] - [ 0.0027023400000000, -0.0015786400000000, 0.0026027500000000 ] - [ 0.0012633000000000, 0.0005608000000000, 0.0001841400000000 ] - [ 0.0013486600000000, 0.0005627800000000, 0.0001168100000000 ] - [ 0.0049951000000000, 0.0663837300000000, 0.0266463500000000 ] - [ 0.0021256800000000, 0.0025573500000000, 0.0000257500000000 ] - [ 0.0013882600000000, 0.0016281700000000, 0.0006063700000000 ] - [ 0.0016756600000000, 0.0013769900000000, 0.0008270400000000 ] - [ 0.0004517700000000, 0.0017605100000000, 0.0036012600000000 ] - [ 0.0012031500000000, 0.0004925600000000, 0.0010056600000000 ] - [ 0.0029021600000000, -0.0115843200000000, 0.0059217100000000 ] - [ -0.0095926500000000, -0.0091834200000000, -0.0036654100000000 ] - [ -0.0010484600000000, -0.0007092900000000, -0.0003647600000000 ] - [ -0.0013876200000000, -0.0004087400000000, 0.0001866600000000 ] - [ 0.0003543800000000, -0.0048799700000000, 0.0050530500000000 ] - [ -0.0015358100000000, -0.0016593000000000, 0.0010293000000000 ] - [ -0.0017074700000000, 0.0607016700000000, 0.0232746300000000 ] - [ 0.0003719600000000, 0.0025775500000000, -0.0005011300000000 ] - [ 0.0020614300000000, 0.0017942800000000, 0.0030814800000000 ] - [ 0.0012875800000000, 0.0005181600000000, 0.0004699200000000 ] - [ 0.0011213400000000, 0.0016472000000000, 0.0001404200000000 ] - [ 0.0008202700000000, 0.0014031700000000, 0.0003604400000000 ] - [ -0.0054023400000000, -0.0116055900000000, 0.0054067100000000 ] - [ 0.0070367100000000, -0.0091861400000000, -0.0041581600000000 ] - [ -0.0028693900000000, -0.0049390000000000, 0.0045573800000000 ] - [ -0.0009623300000000, -0.0016870800000000, 0.0004944800000000 ] - [ -0.0014471300000000, -0.0007423600000000, -0.0008270300000000 ] - [ -0.0011150300000000, -0.0004398400000000, -0.0002731600000000 ] - [ 0.0038209700000000, 0.0014332400000000, -0.0022748200000000 ] - [ -0.0077899900000000, 0.0194741100000000, 0.0064082500000000 ] - [ -0.0033930400000000, 0.0026744600000000, 0.0025656900000000 ] - [ -0.0043024100000000, 0.0041802200000000, 0.0022987800000000 ] - [ -0.0015578600000000, -0.0001160400000000, 0.0003116400000000 ] - [ -0.0014174900000000, 0.0002368600000000, 0.0002880200000000 ] - [ 0.0013198100000000, -0.0026860600000000, 0.0006374700000000 ] - [ 0.0016720600000000, -0.0067872600000000, 0.0026791800000000 ] - [ 0.0020196800000000, -0.0012006700000000, -0.0008629900000000 ] - [ -0.0000261200000000, -0.0004679900000000, -0.0015611100000000 ] - [ 0.0006504500000000, -0.0008768300000000, -0.0004613400000000 ] - [ 0.0009055200000000, -0.0000481900000000, -0.0005591200000000 ] - [ -0.0057971800000000, 0.0027408500000000, -0.0009452500000000 ] - [ 0.0055097100000000, 0.0209157500000000, 0.0074650800000000 ] - [ -0.0003524100000000, 0.0011736100000000, 0.0016144900000000 ] - [ -0.0004831200000000, 0.0015267100000000, 0.0015957900000000 ] - [ 0.0014494900000000, 0.0039436200000000, 0.0037809700000000 ] - [ 0.0024138900000000, 0.0054892200000000, 0.0035796600000000 ] - [ 0.0005863500000000, -0.0040033300000000, 0.0019919900000000 ] - [ 0.0002328300000000, -0.0080717800000000, 0.0040123500000000 ] - [ 0.0012590300000000, -0.0021670500000000, 0.0008416100000000 ] - [ 0.0010021300000000, -0.0013375400000000, 0.0007430000000000 ] - [ -0.0001191600000000, -0.0025161200000000, 0.0004069300000000 ] - [ 0.0019274800000000, -0.0017781700000000, -0.0002920300000000 ] - [ 0.0002154100000000, -0.0043022400000000, 0.0010680400000000 ] - [ 0.0011406100000000, -0.0015012500000000, 0.0007087100000000 ] - [ 0.0007745500000000, -0.0067278400000000, -0.0030451900000000 ] - [ 0.0011583900000000, -0.0003948700000000, 0.0000623200000000 ] - [ 0.0012162700000000, -0.0000784800000000, -0.0000664600000000 ] - [ 0.0010163000000000, 0.0002320900000000, 0.0006040700000000 ] - [ -0.0275522100000000, 0.0310650800000000, -0.0242394800000000 ] - [ -0.0056251700000000, 0.0019084000000000, -0.0018924900000000 ] - [ 0.0003162400000000, 0.0055192700000000, 0.0019008800000000 ] - [ 0.0026216600000000, 0.0025135000000000, 0.0025071000000000 ] - [ -0.0003543000000000, -0.0002334900000000, 0.0013082600000000 ] - [ -0.0003489400000000, -0.0004170000000000, 0.0017052200000000 ] - [ 0.0011395900000000, -0.0080060200000000, -0.0042767700000000 ] - [ 0.0007418000000000, -0.0017066900000000, -0.0011976200000000 ] - [ 0.0016991200000000, -0.0055956100000000, -0.0002421600000000 ] - [ 0.0007511000000000, -0.0027953700000000, -0.0006067000000000 ] - [ 0.0006914800000000, -0.0013947600000000, -0.0014259100000000 ] - [ 0.0008800500000000, -0.0010817300000000, -0.0007579600000000 ] - [ -0.0021903100000000, 0.0068013000000000, 0.0005751800000000 ] - [ -0.0045467100000000, 0.0038201000000000, 0.0012622100000000 ] - [ 0.0251912900000000, 0.0323765100000000, -0.0251132600000000 ] - [ 0.0036839800000000, 0.0031930200000000, -0.0031861500000000 ] - [ -0.0015489400000000, 0.0010801800000000, -0.0000461300000000 ] - [ -0.0015582100000000, 0.0008939100000000, 0.0003497100000000 ] - [ 0.0005098400000000, -0.2967699400000000, 0.0083400600000000 ] - [ 0.0009775100000000, -0.0099085800000000, 0.0073527100000000 ] - [ 0.0023767200000000, -0.0047069700000000, -0.0021484800000000 ] - [ 0.0008498200000000, -0.0012064500000000, -0.0028468500000000 ] - [ -0.0005492600000000, -0.0047026700000000, -0.0021138000000000 ] - [ 0.0010525400000000, -0.0012194600000000, -0.0028273200000000 ] - [ -0.0009366600000000, 0.0215346500000000, -0.0059508600000000 ] - [ -0.0009158000000000, 0.0158182900000000, -0.0031682900000000 ] - [ -0.0039355200000000, 0.0071343300000000, 0.0026809500000000 ] - [ -0.0008915300000000, 0.0023473100000000, 0.0005781500000000 ] - [ 0.0020351900000000, 0.0071064800000000, 0.0026770200000000 ] - [ -0.0009747100000000, 0.0023460000000000, 0.0005840500000000 ] - [ -0.0005290500000000, 0.0054148200000000, -0.0001595400000000 ] - [ -0.0042146200000000, 0.0165597100000000, 0.0003863200000000 ] - [ -0.0013283000000000, 0.0054118300000000, -0.0001315900000000 ] - [ 0.0023355600000000, 0.0165790800000000, 0.0004243000000000 ] - [ -0.0009300100000000, 0.0011356300000000, -0.0000923200000000 ] - [ -0.0009334800000000, 0.0008119100000000, 0.0004019900000000 ] - [ -0.0150278400000000, -0.0234298500000000, -0.0130257300000000 ] - [ 0.0169866500000000, -0.0235173400000000, -0.0149051700000000 ] - [ 0.0171168800000000, -0.0235598200000000, -0.0131893800000000 ] - [ -0.0150138200000000, -0.0234708900000000, -0.0147669300000000 ] - [ 0.0009343100000000, -0.0016995700000000, -0.0016338600000000 ] - [ 0.0009309400000000, -0.0017015500000000, -0.0017863900000000 ] - [ -0.0000787700000000, 0.0138080400000000, -0.0147395100000000 ] - [ 0.0019441900000000, 0.0019171200000000, -0.0009080300000000 ] - [ -0.0179670900000000, 0.0270614200000000, 0.0291491100000000 ] - [ 0.0021414700000000, -0.0012331200000000, 0.0034625800000000 ] - [ 0.0002577000000000, -0.0001404700000000, 0.0003647500000000 ] - [ 0.0000851200000000, -0.0000403600000000, -0.0001440900000000 ] - [ 0.0178683200000000, 0.0268069800000000, 0.0281409800000000 ] - [ -0.0021071300000000, -0.0012264800000000, 0.0027707900000000 ] - [ 0.0000429300000000, 0.0138303700000000, -0.0154089200000000 ] - [ -0.0019262200000000, 0.0019142600000000, -0.0015769000000000 ] - [ -0.0002626500000000, -0.0001348800000000, -0.0003006500000000 ] - [ -0.0000810000000000, -0.0000374000000000, -0.0008123900000000 ] - [ -0.0075996900000000, 0.0028249900000000, -0.0001808000000000 ] - [ 0.0400577100000000, 0.0316679800000000, 0.0003209700000000 ] - [ -0.0016363800000000, -0.0012895800000000, 0.0010069600000000 ] - [ 0.0006718900000000, -0.0010836400000000, 0.0009366000000000 ] - [ -0.0012343600000000, 0.0013498800000000, -0.0019712900000000 ] - [ 0.0003611500000000, 0.0017720000000000, -0.0025068100000000 ] - [ 0.0075932400000000, 0.0028567700000000, 0.0005230800000000 ] - [ -0.0397019100000000, 0.0313586700000000, 0.0010201900000000 ] - [ 0.0012460100000000, 0.0013499000000000, -0.0013044500000000 ] - [ -0.0003743400000000, 0.0017674500000000, -0.0018262000000000 ] - [ 0.0016443300000000, -0.0012785100000000, 0.0016927900000000 ] - [ -0.0006755400000000, -0.0010814300000000, 0.0016007700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012519200000000, 0.0017879400000000, 0.0006359600000000 ] - [ 0.0020396800000000, 0.0031305800000000, -0.0008544100000000 ] - [ -0.0023171400000000, -0.0001143600000000, 0.0024628900000000 ] - [ -0.0055694300000000, -0.0037697600000000, 0.0020307900000000 ] - [ -0.0006800300000000, -0.0016907400000000, -0.0028316900000000 ] - [ -0.0006797300000000, -0.0018884200000000, -0.0031021400000000 ] - [ -0.0025645800000000, 0.0061571900000000, -0.0073011300000000 ] - [ 0.0053582900000000, 0.0074155700000000, -0.0051971700000000 ] - [ 0.0069400600000000, -0.0091499600000000, 0.0037713500000000 ] - [ -0.0043818700000000, -0.0083682500000000, 0.0025207800000000 ] - [ 0.0010579800000000, 0.0012317500000000, -0.0031496300000000 ] - [ 0.0007980600000000, 0.0012797300000000, -0.0030898900000000 ] - [ -0.0001930800000000, -0.0001439800000000, 0.0029083200000000 ] - [ 0.0030625900000000, -0.0037701200000000, 0.0024874400000000 ] - [ -0.0012495000000000, 0.0017692400000000, 0.0011723000000000 ] - [ -0.0045274800000000, 0.0031043300000000, -0.0003162400000000 ] - [ -0.0018322800000000, -0.0017111100000000, -0.0023107000000000 ] - [ -0.0018279700000000, -0.0019107400000000, -0.0025788400000000 ] - [ -0.0044208700000000, -0.0091063300000000, 0.0042354500000000 ] - [ 0.0068755600000000, -0.0083111500000000, 0.0029673800000000 ] - [ 0.0050796300000000, 0.0062053500000000, -0.0067752100000000 ] - [ -0.0028755400000000, 0.0074598200000000, -0.0046685100000000 ] - [ 0.0014532100000000, 0.0012575800000000, -0.0026301300000000 ] - [ 0.0017098000000000, 0.0013020700000000, -0.0025681200000000 ] - [ 0.0005062000000000, 0.0243051500000000, 0.0295773800000000 ] - [ 0.0007353900000000, 0.0010909100000000, 0.0043345600000000 ] - [ 0.0011014900000000, -0.0037615800000000, -0.0041008300000000 ] - [ 0.0017992900000000, -0.0023454300000000, -0.0030257700000000 ] - [ 0.0022167000000000, 0.0009282600000000, -0.0041312200000000 ] - [ 0.0008853800000000, 0.0008022700000000, -0.0002357900000000 ] - [ 0.0012372800000000, -0.0063549800000000, 0.0060283000000000 ] - [ -0.0020367000000000, -0.0039343700000000, 0.0019821900000000 ] - [ -0.0016299400000000, 0.0009305400000000, -0.0019856200000000 ] - [ -0.0022533900000000, 0.0003138400000000, -0.0014357600000000 ] - [ -0.0037984800000000, 0.0049983000000000, -0.0059170100000000 ] - [ -0.0001749200000000, 0.0023176200000000, -0.0006849700000000 ] - [ 0.0019687200000000, 0.0236338000000000, 0.0290500400000000 ] - [ 0.0017614000000000, 0.0011202200000000, 0.0038084600000000 ] - [ 0.0002892400000000, 0.0009830400000000, -0.0046580100000000 ] - [ 0.0016106400000000, 0.0008356400000000, -0.0007652200000000 ] - [ 0.0014020800000000, -0.0037306700000000, -0.0045584000000000 ] - [ 0.0007006000000000, -0.0023173700000000, -0.0034882400000000 ] - [ -0.0037529100000000, -0.0063901100000000, 0.0054948700000000 ] - [ -0.0004624100000000, -0.0039636500000000, 0.0014521500000000 ] - [ 0.0012919200000000, 0.0049622700000000, -0.0064331100000000 ] - [ -0.0023264500000000, 0.0022921800000000, -0.0012151700000000 ] - [ -0.0008680200000000, 0.0009072100000000, -0.0024514100000000 ] - [ -0.0002501300000000, 0.0002892200000000, -0.0018994700000000 ] - [ -0.0143158400000000, 0.0008688300000000, 0.0083173100000000 ] - [ 0.0098182600000000, -0.0069527600000000, 0.0048548500000000 ] - [ 0.0074571500000000, -0.0051725900000000, -0.0101888400000000 ] - [ 0.0013842700000000, -0.0036097800000000, -0.0099036800000000 ] - [ 0.0017455500000000, -0.0013231100000000, -0.0053846900000000 ] - [ 0.0031197600000000, -0.0011795700000000, -0.0069384300000000 ] - [ 0.0020950100000000, -0.0002830900000000, 0.0021920900000000 ] - [ 0.0031292700000000, -0.0012731500000000, 0.0026661300000000 ] - [ 0.0016839300000000, 0.0002741800000000, -0.0004011400000000 ] - [ -0.0002458000000000, 0.0005963500000000, -0.0013859000000000 ] - [ -0.0011733000000000, 0.0023062600000000, -0.0044019400000000 ] - [ -0.0001125200000000, 0.0018515100000000, -0.0032765600000000 ] - [ 0.0123514400000000, 0.0021916700000000, 0.0096601600000000 ] - [ -0.0110033400000000, -0.0060893700000000, 0.0067841800000000 ] - [ -0.0036538800000000, -0.0000316500000000, -0.0040819900000000 ] - [ -0.0050312900000000, 0.0001129400000000, -0.0056383000000000 ] - [ -0.0093773300000000, -0.0038769800000000, -0.0089390100000000 ] - [ -0.0033204800000000, -0.0022933700000000, -0.0086237300000000 ] - [ -0.0001939300000000, -0.0015974300000000, 0.0035535900000000 ] - [ -0.0012312000000000, -0.0025922700000000, 0.0040272400000000 ] - [ 0.0030799500000000, 0.0010208600000000, -0.0030970700000000 ] - [ 0.0020194400000000, 0.0005653900000000, -0.0019727400000000 ] - [ 0.0002225800000000, -0.0010355200000000, 0.0008575400000000 ] - [ 0.0021518300000000, -0.0007120900000000, -0.0001286700000000 ] - [ -0.0005807200000000, 0.0028127100000000, 0.0053178200000000 ] - [ -0.0002860100000000, 0.0013049700000000, 0.0031461100000000 ] - [ 0.0004534700000000, -0.0015044400000000, -0.0004971000000000 ] - [ 0.0007760100000000, 0.0001675000000000, 0.0004290000000000 ] - [ 0.0027890900000000, 0.0000530300000000, -0.0025691800000000 ] - [ 0.0023268100000000, 0.0001691400000000, -0.0017751300000000 ] - [ 0.0513148300000000, -0.0319341400000000, 0.0693764900000000 ] - [ 0.0100651100000000, -0.0016493700000000, 0.0093548300000000 ] - [ -0.0028452100000000, -0.0021651500000000, -0.0099207000000000 ] - [ -0.0091028100000000, -0.0023503100000000, -0.0054402000000000 ] - [ -0.0050793400000000, 0.0009732000000000, -0.0061012500000000 ] - [ -0.0038030500000000, 0.0003368000000000, -0.0043160100000000 ] - [ 0.0014520000000000, -0.0028155600000000, -0.0017587800000000 ] - [ 0.0011214000000000, -0.0011457500000000, -0.0008403500000000 ] - [ 0.0024933900000000, 0.0015258400000000, 0.0040186900000000 ] - [ 0.0021932300000000, 0.0000196200000000, 0.0018461000000000 ] - [ -0.0008803900000000, -0.0012579000000000, -0.0039219600000000 ] - [ -0.0004247000000000, -0.0011415100000000, -0.0031305600000000 ] - [ 0.0009810100000000, -0.0008512200000000, -0.0111903300000000 ] - [ 0.0071647400000000, -0.0010242000000000, -0.0066810300000000 ] - [ -0.0568444700000000, -0.0325088000000000, 0.0707083900000000 ] - [ -0.0120274300000000, -0.0003577100000000, 0.0080686000000000 ] - [ 0.0031789800000000, 0.0022896600000000, -0.0074658200000000 ] - [ 0.0018954700000000, 0.0016491300000000, -0.0056713300000000 ] - [ 0.0038393800000000, 0.0084244300000000, -0.2884470700000000 ] - [ 0.0009751400000000, 0.0073527000000000, -0.0253777800000000 ] - [ 0.0019102600000000, -0.0021366600000000, 0.0198238600000000 ] - [ 0.0003590100000000, -0.0028377600000000, 0.0112396800000000 ] - [ -0.0000483000000000, -0.0021260600000000, 0.0197810800000000 ] - [ 0.0015298500000000, -0.0028358900000000, 0.0112517800000000 ] - [ -0.0009360700000000, 0.0059491300000000, -0.0115257900000000 ] - [ -0.0009336100000000, 0.0031711500000000, -0.0072985700000000 ] - [ -0.0013667000000000, -0.0026743300000000, 0.0057888900000000 ] - [ 0.0001568100000000, -0.0005844900000000, 0.0036316700000000 ] - [ -0.0005100400000000, -0.0026788500000000, 0.0058137300000000 ] - [ -0.0020257800000000, -0.0005821300000000, 0.0036552000000000 ] - [ -0.0006011400000000, -0.0001425700000000, -0.0033143300000000 ] - [ -0.0036333200000000, 0.0003962000000000, -0.0034712000000000 ] - [ -0.0012647300000000, -0.0001471600000000, -0.0033127700000000 ] - [ 0.0017594200000000, 0.0004128400000000, -0.0034597600000000 ] - [ -0.0009320100000000, -0.0000933900000000, 0.0071613000000000 ] - [ -0.0009341300000000, 0.0004050700000000, 0.0070204800000000 ] - [ 0.0462434600000000, 0.0148645200000000, 0.0291328700000000 ] - [ -0.0395473900000000, 0.0130698300000000, 0.0290529800000000 ] - [ -0.0444663200000000, 0.0148114200000000, 0.0291350100000000 ] - [ 0.0416936800000000, 0.0131415600000000, 0.0292143700000000 ] - [ 0.0009300400000000, 0.0017856300000000, 0.0119587900000000 ] - [ 0.0009365900000000, 0.0016323200000000, 0.0119589400000000 ] - [ -0.0023002200000000, -0.0230482200000000, 0.0118419800000000 ] - [ -0.0020627000000000, -0.0038870900000000, -0.0018901100000000 ] - [ -0.0061122600000000, 0.0214649100000000, 0.0108125600000000 ] - [ 0.0033446400000000, 0.0038537400000000, -0.0017453700000000 ] - [ -0.0005010500000000, 0.0001574800000000, 0.0059370400000000 ] - [ -0.0002481900000000, 0.0001667400000000, 0.0044111700000000 ] - [ 0.0060593700000000, 0.0213491400000000, 0.0101167600000000 ] - [ -0.0033325800000000, 0.0038429100000000, -0.0024102400000000 ] - [ 0.0022866600000000, -0.0231264000000000, 0.0111403600000000 ] - [ 0.0020729300000000, -0.0038992400000000, -0.0025726000000000 ] - [ 0.0004976700000000, 0.0001507100000000, 0.0052671000000000 ] - [ 0.0002501900000000, 0.0001638200000000, 0.0037397700000000 ] - [ -0.0006322400000000, -0.0019496300000000, -0.0123556900000000 ] - [ 0.0119722000000000, 0.0034821800000000, -0.0197419600000000 ] - [ -0.0002827000000000, 0.0025447800000000, 0.0038169600000000 ] - [ 0.0017191500000000, 0.0036117900000000, 0.0043485400000000 ] - [ 0.0027502400000000, -0.0029609400000000, 0.0039461300000000 ] - [ -0.0014991100000000, -0.0038181900000000, 0.0048339900000000 ] - [ 0.0006612700000000, -0.0019305900000000, -0.0116398500000000 ] - [ -0.0119812800000000, 0.0034828800000000, -0.0190148100000000 ] - [ -0.0027517700000000, -0.0029727500000000, 0.0046212700000000 ] - [ 0.0015014800000000, -0.0038346600000000, 0.0055095100000000 ] - [ 0.0002828500000000, 0.0025410300000000, 0.0044967800000000 ] - [ -0.0017160100000000, 0.0035987200000000, 0.0050198200000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0072287500000000, 0.0032504100000000, 0.0023721800000000 ] - [ 0.0159842000000000, -0.0009859600000000, -0.0093110500000000 ] - [ -0.0024310400000000, 0.0017000100000000, 0.0020164000000000 ] - [ -0.0002242300000000, -0.0007302800000000, -0.0019894400000000 ] - [ -0.0018906100000000, -0.0003999800000000, -0.0006967300000000 ] - [ -0.0006873600000000, 0.0001621000000000, -0.0001202400000000 ] - [ 0.0171059000000000, -0.0019167400000000, 0.0081387600000000 ] - [ -0.0047646400000000, 0.0032615200000000, -0.0028995200000000 ] - [ 0.0022659300000000, -0.0007523500000000, 0.0015185800000000 ] - [ 0.0000758400000000, 0.0016809300000000, -0.0024851100000000 ] - [ 0.0018199300000000, 0.0001349000000000, -0.0003985100000000 ] - [ 0.0006213200000000, -0.0004223800000000, 0.0001780900000000 ] - [ -0.0027411600000000, 0.0015862400000000, 0.0005667700000000 ] - [ 0.0012280900000000, -0.0076694300000000, -0.0021544800000000 ] - [ -0.0015043100000000, 0.0001272900000000, 0.0002128600000000 ] - [ -0.0009574500000000, -0.0004293300000000, 0.0000814700000000 ] - [ -0.0022229300000000, 0.0001099900000000, -0.0004303500000000 ] - [ -0.0004904100000000, 0.0005399100000000, 0.0011524200000000 ] - [ 0.0037037100000000, -0.0076383300000000, 0.0025989500000000 ] - [ -0.0002361500000000, 0.0016278700000000, -0.0001115300000000 ] - [ 0.0015374000000000, -0.0004030000000000, 0.0004556800000000 ] - [ 0.0009957500000000, 0.0001551400000000, 0.0003193500000000 ] - [ 0.0020157900000000, 0.0005704400000000, -0.0006315700000000 ] - [ 0.0002883000000000, 0.0001338200000000, 0.0009522300000000 ] - [ 0.0033644300000000, 0.0015834800000000, -0.0000686500000000 ] - [ -0.0006300400000000, -0.0004103500000000, 0.0015510400000000 ] - [ 0.0015941800000000, -0.0001308800000000, 0.0001126500000000 ] - [ 0.0009156000000000, -0.0000361500000000, 0.0003325200000000 ] - [ 0.0258748600000000, -0.0098736700000000, -0.0231195900000000 ] - [ -0.0047853700000000, -0.0019716900000000, 0.0009044700000000 ] - [ 0.0008301800000000, 0.0016028600000000, 0.0006108300000000 ] - [ -0.0031387600000000, -0.0003816000000000, -0.0010355800000000 ] - [ -0.0009072600000000, -0.0001029600000000, 0.0003506100000000 ] - [ -0.0015838200000000, -0.0000097100000000, 0.0001335600000000 ] - [ 0.0232480500000000, -0.0093790500000000, 0.0229430500000000 ] - [ -0.0072808500000000, -0.0019572900000000, -0.0003619900000000 ] - [ 0.0028241500000000, -0.0013757300000000, -0.0006988000000000 ] - [ 0.0002907900000000, -0.0007705100000000, -0.0004098200000000 ] - [ 0.0014408200000000, -0.0000639100000000, -0.0002413900000000 ] - [ 0.0010143100000000, 0.0000637100000000, -0.0002526100000000 ] - [ 0.0012574100000000, 0.0040468100000000, 0.0018828200000000 ] - [ 0.0001848300000000, -0.0009219300000000, -0.0013096000000000 ] - [ 0.0002981100000000, -0.0013791800000000, 0.0001702300000000 ] - [ -0.0022119100000000, -0.0008036100000000, -0.0001133800000000 ] - [ -0.0010556800000000, -0.0000985100000000, -0.0002843800000000 ] - [ -0.0014840400000000, 0.0000334100000000, -0.0002783900000000 ] - [ -0.0012511900000000, 0.0040273500000000, -0.0023501500000000 ] - [ -0.0023136700000000, -0.0009566100000000, 0.0008483200000000 ] - [ -0.0064721100000000, -0.0020047600000000, 0.0051556800000000 ] - [ -0.0014281600000000, 0.0040080700000000, -0.0033895900000000 ] - [ -0.0014628600000000, -0.0006019400000000, -0.0001237300000000 ] - [ -0.0007096800000000, -0.0006109100000000, -0.0007175900000000 ] - [ -0.0008574700000000, -0.0026811100000000, -0.0029523900000000 ] - [ -0.0023043600000000, 0.0033216500000000, 0.0029339300000000 ] - [ 0.0004393400000000, 0.0053031500000000, 0.0019988600000000 ] - [ -0.0045726900000000, -0.0007097000000000, -0.0065297300000000 ] - [ 0.0011913200000000, 0.0007018300000000, -0.0005435000000000 ] - [ 0.0004472500000000, 0.0007063500000000, -0.0011325200000000 ] - [ -0.0004190800000000, 0.0046054400000000, -0.0042488100000000 ] - [ 0.0010556300000000, -0.0014018800000000, 0.0016596600000000 ] - [ -0.0010684600000000, 0.0004990700000000, 0.0015208600000000 ] - [ 0.0006353600000000, 0.0002588500000000, 0.0009634700000000 ] - [ -0.0012177000000000, 0.0006130700000000, 0.0002980000000000 ] - [ -0.0004124000000000, 0.0008440200000000, 0.0015370300000000 ] - [ -0.0054721900000000, -0.0030022400000000, -0.0026834200000000 ] - [ -0.0018656500000000, 0.0030608200000000, 0.0006832700000000 ] - [ 0.0025134400000000, -0.0010506600000000, 0.0004062500000000 ] - [ 0.0008436300000000, -0.0008197500000000, -0.0001706000000000 ] - [ 0.0014928000000000, -0.0004435300000000, -0.0002289900000000 ] - [ 0.0006882200000000, -0.0006793000000000, 0.0010090600000000 ] - [ 0.0000233900000000, 0.0017415200000000, 0.0005921300000000 ] - [ -0.0035527700000000, -0.0043124700000000, 0.0039290700000000 ] - [ 0.0104786000000000, -0.0046885900000000, -0.0069951300000000 ] - [ -0.0024247800000000, 0.0010807300000000, 0.0026519200000000 ] - [ 0.0015780500000000, 0.0005552200000000, 0.0000329900000000 ] - [ 0.0005286600000000, 0.0008677500000000, 0.0009050500000000 ] - [ 0.0058404300000000, 0.0001609400000000, -0.0023639800000000 ] - [ -0.0016242300000000, 0.0014676700000000, 0.0022613200000000 ] - [ 0.0085213900000000, -0.0061480800000000, 0.0083656800000000 ] - [ -0.0043401700000000, -0.0001974800000000, -0.0013597300000000 ] - [ -0.0003282900000000, -0.0007566300000000, 0.0012331900000000 ] - [ -0.0013700400000000, -0.0004454400000000, 0.0003592900000000 ] - [ 0.0039205600000000, -0.0011484300000000, 0.0037153300000000 ] - [ -0.0035230900000000, 0.0001572700000000, -0.0008968600000000 ] - [ 0.0091193000000000, -0.0030121400000000, 0.0041633000000000 ] - [ -0.0025590700000000, -0.0003767900000000, -0.0024590900000000 ] - [ 0.0015218300000000, -0.0008430600000000, -0.0011501500000000 ] - [ -0.0003790800000000, -0.0011350800000000, -0.0017484500000000 ] - [ 0.0015762900000000, -0.0006822600000000, -0.0004536100000000 ] - [ -0.0000646300000000, -0.0004726100000000, -0.0013810200000000 ] - [ 0.0071823700000000, -0.0016826500000000, -0.0054204500000000 ] - [ -0.0044694700000000, 0.0009450800000000, 0.0012002800000000 ] - [ -0.0004005700000000, 0.0004364600000000, -0.0001260300000000 ] - [ -0.0022773900000000, 0.0001583000000000, 0.0004359100000000 ] - [ -0.0003310300000000, 0.0006326400000000, -0.0008989700000000 ] - [ -0.0019683600000000, 0.0008388200000000, 0.0000282800000000 ] - [ -0.0106553400000000, -0.0000161500000000, -0.0023388500000000 ] - [ 0.0068614400000000, 0.0019285400000000, -0.0020584000000000 ] - [ -0.0002468000000000, 0.0002622100000000, -0.0005116300000000 ] - [ 0.0021610300000000, 0.0000861700000000, -0.0002582200000000 ] - [ -0.0084021700000000, -0.0178815600000000, -0.0060618800000000 ] - [ 0.0083019600000000, 0.0021114400000000, 0.0033407600000000 ] - [ -0.0123850600000000, -0.0001058500000000, 0.0022468200000000 ] - [ 0.0049920500000000, 0.0019458900000000, 0.0020802300000000 ] - [ -0.0021182900000000, 0.0002659400000000, 0.0004873000000000 ] - [ 0.0002879700000000, 0.0000829300000000, 0.0002364300000000 ] - [ -0.0102745400000000, -0.0179559400000000, 0.0061124700000000 ] - [ 0.0064251200000000, 0.0021358400000000, -0.0033361100000000 ] - [ 0.0067785500000000, -0.0075530000000000, -0.0006476500000000 ] - [ 0.0029739100000000, 0.0399787400000000, 0.0120286400000000 ] - [ -0.0005801100000000, -0.0016362700000000, -0.0002775200000000 ] - [ -0.0012115600000000, 0.0006776400000000, 0.0017180900000000 ] - [ 0.0023986600000000, -0.0012398800000000, 0.0027466500000000 ] - [ -0.0040681200000000, 0.0003735100000000, -0.0015062700000000 ] - [ 0.0049350600000000, 0.0397888100000000, -0.0119262700000000 ] - [ 0.0086583100000000, -0.0076358700000000, 0.0006464200000000 ] - [ 0.0006818800000000, 0.0006682000000000, -0.0017171600000000 ] - [ 0.0012718600000000, -0.0016455700000000, 0.0002901700000000 ] - [ -0.0021914200000000, 0.0003638400000000, 0.0014948500000000 ] - [ 0.0042567300000000, -0.0012454600000000, -0.0027546600000000 ] - [ -0.1288394900000000, 0.0067537500000000, 0.0018115900000000 ] - [ 0.0103017400000000, 0.0002400100000000, 0.0003413200000000 ] - [ -0.0017911200000000, -0.0004553100000000, 0.0003221400000000 ] - [ 0.0020598700000000, -0.0003041000000000, 0.0003384300000000 ] - [ -0.0017911800000000, 0.0010406100000000, 0.0003367400000000 ] - [ 0.0020583400000000, 0.0002251900000000, 0.0003303500000000 ] - [ -0.0044564100000000, 0.0030334500000000, -0.0003301900000000 ] - [ 0.0030459500000000, 0.0002412400000000, -0.0003336900000000 ] - [ -0.0006778600000000, 0.0006795400000000, -0.0003402200000000 ] - [ 0.0004518400000000, 0.0002303400000000, -0.0003345400000000 ] - [ -0.0020538300000000, -0.0009867600000000, -0.0003319600000000 ] - [ 0.0016586800000000, 0.0001322000000000, -0.0003365100000000 ] - [ 0.0027604900000000, -0.0010222900000000, -0.0090257000000000 ] - [ 0.0027269800000000, -0.0010291500000000, 0.0084111300000000 ] - [ -0.0000577400000000, 0.0000740500000000, -0.0000347600000000 ] - [ -0.0000608100000000, 0.0000735500000000, -0.0006433300000000 ] - [ 0.0219391300000000, -0.0064714800000000, 0.0215003500000000 ] - [ 0.0220973500000000, -0.0065178400000000, -0.0224428400000000 ] - [ 0.0003064100000000, 0.0012696500000000, -0.0013596900000000 ] - [ 0.0002880800000000, 0.0012718600000000, 0.0020328500000000 ] - [ 0.0000556100000000, -0.0000229600000000, 0.0004317500000000 ] - [ 0.0000541400000000, -0.0000218500000000, 0.0002345600000000 ] - [ 0.0002996700000000, 0.0001631600000000, 0.0020234800000000 ] - [ 0.0002927000000000, 0.0001646500000000, -0.0013519500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008275900000000, 0.0041593800000000, 0.0008271300000000 ] - [ -0.0008748100000000, 0.0099357900000000, 0.0009185700000000 ] - [ -0.0011559300000000, 0.0017009600000000, 0.0006790600000000 ] - [ -0.0014792500000000, 0.0016613600000000, -0.0003981500000000 ] - [ -0.0010181400000000, 0.0011198000000000, 0.0004811200000000 ] - [ -0.0012715900000000, 0.0010608200000000, 0.0005927300000000 ] - [ 0.0011210100000000, 0.0095139800000000, -0.0015920200000000 ] - [ 0.0033316200000000, 0.0041025200000000, -0.0013342300000000 ] - [ 0.0010281400000000, 0.0016297200000000, -0.0000683600000000 ] - [ 0.0013450600000000, 0.0016666500000000, -0.0011378400000000 ] - [ 0.0012343800000000, 0.0010336100000000, -0.0011195100000000 ] - [ 0.0014915100000000, 0.0010987000000000, -0.0010090300000000 ] - [ -0.0004844900000000, -0.0031007300000000, -0.0008126200000000 ] - [ -0.0008387000000000, -0.0087797600000000, -0.0023604700000000 ] - [ -0.0010505700000000, -0.0009459100000000, -0.0003762300000000 ] - [ -0.0012156300000000, -0.0011363800000000, -0.0004927600000000 ] - [ -0.0010018100000000, -0.0014204900000000, -0.0002541100000000 ] - [ -0.0015272300000000, -0.0019020900000000, -0.0001022200000000 ] - [ 0.0016723200000000, -0.0087640900000000, 0.0028311500000000 ] - [ 0.0020142300000000, -0.0030748500000000, 0.0012825000000000 ] - [ 0.0012875900000000, -0.0011043100000000, 0.0010166700000000 ] - [ 0.0014474100000000, -0.0009156800000000, 0.0009030000000000 ] - [ 0.0009802000000000, -0.0018739300000000, 0.0006233200000000 ] - [ 0.0015092400000000, -0.0014012600000000, 0.0007766300000000 ] - [ 0.0030734500000000, 0.0050892100000000, 0.0046143700000000 ] - [ 0.0011983500000000, 0.0013702700000000, 0.0012649100000000 ] - [ 0.0012175700000000, 0.0008728600000000, 0.0006744900000000 ] - [ 0.0012333600000000, 0.0005857200000000, 0.0004872900000000 ] - [ -0.0078751000000000, 0.0254373700000000, 0.0212980900000000 ] - [ 0.0010832000000000, 0.0027533000000000, -0.0013684600000000 ] - [ 0.0005782800000000, 0.0051541100000000, -0.0041116500000000 ] - [ -0.0013086700000000, 0.0014059400000000, -0.0007454600000000 ] - [ -0.0012845100000000, 0.0009100700000000, -0.0002231300000000 ] - [ -0.0012693200000000, 0.0006193100000000, -0.0000314300000000 ] - [ -0.0110069100000000, 0.0261487800000000, -0.0219692400000000 ] - [ -0.0013982200000000, 0.0027940900000000, 0.0019048800000000 ] - [ 0.0026759200000000, -0.0061105100000000, -0.0017915900000000 ] - [ 0.0012334100000000, -0.0019287900000000, -0.0004498200000000 ] - [ 0.0012298700000000, -0.0007764200000000, -0.0006482800000000 ] - [ 0.0012349000000000, -0.0005864300000000, -0.0005568600000000 ] - [ 0.0029411000000000, -0.0063995300000000, -0.0035646200000000 ] - [ 0.0015105700000000, -0.0014368700000000, -0.0011396400000000 ] - [ 0.0001740600000000, -0.0061609500000000, 0.0012715300000000 ] - [ -0.0012801200000000, -0.0019544400000000, -0.0000662200000000 ] - [ -0.0012630700000000, -0.0008026400000000, 0.0001086400000000 ] - [ -0.0012645000000000, -0.0006132200000000, 0.0000213400000000 ] - [ 0.0004312100000000, -0.0064029000000000, 0.0030951100000000 ] - [ -0.0009911000000000, -0.0014634100000000, 0.0006782800000000 ] - [ -0.0071672400000000, -0.0001870500000000, 0.0050701100000000 ] - [ 0.0062582400000000, -0.0033752600000000, -0.0002275000000000 ] - [ -0.0015684900000000, -0.0001854000000000, 0.0001843200000000 ] - [ -0.0011285800000000, -0.0002301700000000, -0.0000019600000000 ] - [ -0.0012396700000000, 0.0006552000000000, -0.0012171900000000 ] - [ 0.0046838700000000, -0.0011088600000000, -0.0057825800000000 ] - [ 0.0082360200000000, -0.0020684400000000, -0.0011237700000000 ] - [ -0.0052848100000000, 0.0011314000000000, -0.0064215700000000 ] - [ 0.0007706700000000, 0.0010849100000000, -0.0012700900000000 ] - [ 0.0003257700000000, 0.0011296000000000, -0.0014583500000000 ] - [ 0.0065620800000000, 0.0002117800000000, 0.0044375300000000 ] - [ 0.0006701800000000, 0.0019517700000000, -0.0000892500000000 ] - [ -0.0010564100000000, -0.0000054800000000, 0.0015044500000000 ] - [ 0.0033417700000000, -0.0011246000000000, 0.0043705400000000 ] - [ -0.0016526600000000, 0.0000316800000000, -0.0003371100000000 ] - [ -0.0012349100000000, 0.0001321600000000, -0.0001366700000000 ] - [ -0.0065964900000000, -0.0031653600000000, -0.0043843000000000 ] - [ 0.0026839400000000, -0.0026692900000000, 0.0010538700000000 ] - [ 0.0052778600000000, -0.0024423800000000, -0.0030431100000000 ] - [ 0.0008400800000000, -0.0013183800000000, -0.0001489800000000 ] - [ 0.0006793800000000, -0.0011498000000000, 0.0014290300000000 ] - [ 0.0002570500000000, -0.0012552700000000, 0.0016336100000000 ] - [ 0.0045809400000000, -0.0039758200000000, 0.0002362600000000 ] - [ -0.0047084700000000, -0.0044680700000000, 0.0056722000000000 ] - [ 0.0053547400000000, -0.0072445900000000, -0.0120183400000000 ] - [ 0.0019788400000000, 0.0011843000000000, 0.0001208500000000 ] - [ 0.0012784400000000, 0.0012188100000000, 0.0000970700000000 ] - [ 0.0012597100000000, 0.0010389000000000, 0.0004847600000000 ] - [ -0.0033322500000000, 0.0006269000000000, 0.0071946300000000 ] - [ 0.0004841500000000, 0.0012065000000000, 0.0017675500000000 ] - [ 0.0033660600000000, -0.0087601100000000, 0.0133483100000000 ] - [ 0.0000677600000000, -0.0001098500000000, 0.0011874800000000 ] - [ -0.0006320500000000, -0.0000902500000000, 0.0011530600000000 ] - [ -0.0006462900000000, -0.0002756800000000, 0.0007719800000000 ] - [ -0.0052520000000000, -0.0006940300000000, -0.0058485200000000 ] - [ -0.0014128100000000, -0.0001102600000000, -0.0004072800000000 ] - [ 0.0007846400000000, -0.0076293900000000, 0.0009259000000000 ] - [ 0.0019837800000000, -0.0011381400000000, 0.0000396500000000 ] - [ -0.0019410600000000, -0.0032558900000000, -0.0065257200000000 ] - [ 0.0003149900000000, -0.0012947800000000, -0.0018403300000000 ] - [ 0.0013040800000000, -0.0012065000000000, 0.0001096400000000 ] - [ 0.0015834400000000, -0.0011216300000000, -0.0002552200000000 ] - [ -0.0011369900000000, -0.0063008200000000, -0.0021102500000000 ] - [ 0.0000675900000000, 0.0001702700000000, -0.0012884400000000 ] - [ -0.0038309200000000, -0.0019526400000000, 0.0051812200000000 ] - [ -0.0015897400000000, -0.0000068500000000, 0.0005325800000000 ] - [ -0.0005946500000000, 0.0001075100000000, -0.0014748300000000 ] - [ -0.0003111600000000, 0.0001869900000000, -0.0011099900000000 ] - [ -0.0141282700000000, 0.0137744700000000, -0.0229812100000000 ] - [ 0.0038585900000000, 0.0019215200000000, -0.0038930400000000 ] - [ 0.0006765200000000, -0.0001359600000000, 0.0001583300000000 ] - [ 0.0012148200000000, -0.0000381300000000, 0.0001672100000000 ] - [ -0.0026413200000000, 0.0269965600000000, 0.0213537400000000 ] - [ 0.0035591900000000, -0.0012199200000000, 0.0038506500000000 ] - [ -0.0161388700000000, 0.0138655900000000, 0.0231916500000000 ] - [ 0.0020009000000000, 0.0019130800000000, 0.0038979500000000 ] - [ -0.0012004700000000, -0.0001379400000000, -0.0001486100000000 ] - [ -0.0006527500000000, -0.0000415100000000, -0.0001645100000000 ] - [ -0.0046131300000000, 0.0268794400000000, -0.0214627400000000 ] - [ 0.0016848900000000, -0.0012402300000000, -0.0038487300000000 ] - [ -0.0105849400000000, 0.0028397300000000, -0.0019780500000000 ] - [ 0.0221407900000000, 0.0315434200000000, 0.0034049200000000 ] - [ -0.0027254000000000, -0.0012915900000000, 0.0025615900000000 ] - [ 0.0012972900000000, -0.0010886400000000, 0.0036287800000000 ] - [ -0.0031544400000000, 0.0013398100000000, -0.0029545100000000 ] - [ 0.0020357100000000, 0.0017649600000000, -0.0038194600000000 ] - [ 0.0237366300000000, 0.0314853100000000, -0.0035611500000000 ] - [ -0.0086568400000000, 0.0028417100000000, 0.0019012700000000 ] - [ 0.0031474300000000, -0.0010782000000000, -0.0035827200000000 ] - [ -0.0008393800000000, -0.0012768200000000, -0.0025233500000000 ] - [ 0.0039049400000000, 0.0017742000000000, 0.0038350300000000 ] - [ -0.0013073800000000, 0.0013560700000000, 0.0029796800000000 ] - [ 0.0067666500000000, -0.1031314100000000, 0.0016753200000000 ] - [ 0.0002402000000000, -0.0045257200000000, 0.0003275300000000 ] - [ 0.0010396500000000, -0.0046618300000000, 0.0003427300000000 ] - [ 0.0002250800000000, -0.0015493700000000, 0.0003369900000000 ] - [ -0.0004555800000000, -0.0046604500000000, 0.0003491200000000 ] - [ -0.0003051400000000, -0.0015497500000000, 0.0003395200000000 ] - [ -0.0030336800000000, 0.0114346600000000, -0.0003477800000000 ] - [ -0.0002422800000000, 0.0034575500000000, -0.0003411300000000 ] - [ -0.0006787700000000, 0.0036239300000000, -0.0003250800000000 ] - [ -0.0002310500000000, 0.0015344500000000, -0.0003322600000000 ] - [ 0.0009867800000000, 0.0036992300000000, -0.0003304100000000 ] - [ -0.0001313900000000, 0.0015569600000000, -0.0003336900000000 ] - [ -0.0010215800000000, -0.0078155400000000, -0.0022416900000000 ] - [ -0.0010284800000000, -0.0078175800000000, 0.0015430700000000 ] - [ 0.0000733700000000, -0.0013479900000000, -0.0004156700000000 ] - [ 0.0000738800000000, -0.0013490300000000, -0.0002471800000000 ] - [ -0.0064503100000000, -0.0241641800000000, 0.0070249800000000 ] - [ -0.0065410900000000, -0.0241792000000000, -0.0076617000000000 ] - [ -0.0001702200000000, 0.0052758800000000, -0.0007881200000000 ] - [ -0.0001559900000000, 0.0052714400000000, 0.0014565300000000 ] - [ 0.0000205700000000, 0.0013419600000000, 0.0003612000000000 ] - [ 0.0000238400000000, 0.0013439700000000, 0.0003192700000000 ] - [ -0.0012707800000000, 0.0052725400000000, 0.0008952300000000 ] - [ -0.0012725200000000, 0.0052762100000000, -0.0002316000000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0033999000000000, 0.0027488800000000, 0.0034258500000000 ] - [ -0.0155057000000000, -0.0041579100000000, 0.0216065100000000 ] - [ -0.0002005300000000, -0.0015782700000000, -0.0023768800000000 ] - [ -0.0020632500000000, -0.0018704400000000, -0.0021759000000000 ] - [ -0.0012911600000000, -0.0005477900000000, -0.0014715200000000 ] - [ -0.0002310000000000, -0.0003850800000000, -0.0020953300000000 ] - [ 0.0155057000000000, 0.0041579100000000, 0.0216065100000000 ] - [ 0.0033999000000000, -0.0027488800000000, 0.0034258500000000 ] - [ 0.0020632500000000, 0.0018704400000000, -0.0021759000000000 ] - [ 0.0002005300000000, 0.0015782700000000, -0.0023768800000000 ] - [ 0.0002310000000000, 0.0003850800000000, -0.0020953300000000 ] - [ 0.0012911600000000, 0.0005477900000000, -0.0014715200000000 ] - [ -0.0008790700000000, 0.0008568800000000, 0.0018744100000000 ] - [ -0.0022584200000000, -0.0002446500000000, 0.0029781500000000 ] - [ -0.0011151100000000, -0.0010442700000000, -0.0008916500000000 ] - [ -0.0017246900000000, -0.0010468800000000, -0.0011679500000000 ] - [ -0.0016120100000000, 0.0001943800000000, -0.0000186800000000 ] - [ -0.0007307500000000, -0.0000048700000000, -0.0001852900000000 ] - [ 0.0022584200000000, 0.0002446500000000, 0.0029781500000000 ] - [ 0.0008790700000000, -0.0008568800000000, 0.0018744100000000 ] - [ 0.0017246900000000, 0.0010468800000000, -0.0011679500000000 ] - [ 0.0011151100000000, 0.0010442700000000, -0.0008916500000000 ] - [ 0.0007307500000000, 0.0000048700000000, -0.0001852900000000 ] - [ 0.0016120100000000, -0.0001943800000000, -0.0000186800000000 ] - [ -0.0006554000000000, 0.0006744100000000, -0.0039854800000000 ] - [ 0.0029159500000000, 0.0016723800000000, -0.0001278000000000 ] - [ 0.0019003300000000, -0.0014903100000000, -0.0021654700000000 ] - [ 0.0013371200000000, -0.0007041900000000, -0.0009110800000000 ] - [ -0.0212549900000000, 0.0241147100000000, 0.0516076500000000 ] - [ -0.0014401100000000, -0.0020896500000000, 0.0020398000000000 ] - [ 0.0006554000000000, -0.0006744100000000, -0.0039854800000000 ] - [ -0.0029159500000000, -0.0016723800000000, -0.0001278000000000 ] - [ -0.0019003300000000, 0.0014903100000000, -0.0021654700000000 ] - [ -0.0013371200000000, 0.0007041900000000, -0.0009110800000000 ] - [ 0.0212549900000000, -0.0241147100000000, 0.0516076500000000 ] - [ 0.0014401100000000, 0.0020896500000000, 0.0020398000000000 ] - [ 0.0002769700000000, 0.0040411400000000, 0.0016113600000000 ] - [ 0.0018473700000000, 0.0004320000000000, 0.0006207000000000 ] - [ 0.0009806400000000, -0.0008610500000000, -0.0018455100000000 ] - [ 0.0011531200000000, -0.0005362300000000, -0.0012094900000000 ] - [ 0.0030726100000000, -0.0049902300000000, -0.0019245600000000 ] - [ 0.0007680300000000, -0.0000738500000000, -0.0002482100000000 ] - [ -0.0002769700000000, -0.0040411400000000, 0.0016113600000000 ] - [ -0.0018473700000000, -0.0004320000000000, 0.0006207000000000 ] - [ -0.0009806400000000, 0.0008610500000000, -0.0018455100000000 ] - [ -0.0011531200000000, 0.0005362300000000, -0.0012094900000000 ] - [ -0.0030726100000000, 0.0049902300000000, -0.0019245600000000 ] - [ -0.0007680300000000, 0.0000738500000000, -0.0002482100000000 ] - [ -0.0010701600000000, 0.0001740300000000, 0.0025210800000000 ] - [ -0.0079168800000000, 0.0037059200000000, 0.0040196600000000 ] - [ 0.0004878700000000, -0.0010613900000000, -0.0027776300000000 ] - [ 0.0000331300000000, -0.0008801500000000, -0.0028453400000000 ] - [ -0.0017845000000000, -0.0023452700000000, -0.0010507500000000 ] - [ 0.0023971300000000, -0.0029590100000000, -0.0051023300000000 ] - [ 0.0079168800000000, -0.0037059200000000, 0.0040196600000000 ] - [ 0.0010701600000000, -0.0001740300000000, 0.0025210800000000 ] - [ -0.0000331300000000, 0.0008801500000000, -0.0028453400000000 ] - [ -0.0004878700000000, 0.0010613900000000, -0.0027776300000000 ] - [ -0.0023971300000000, 0.0029590100000000, -0.0051023300000000 ] - [ 0.0017845000000000, 0.0023452700000000, -0.0010507500000000 ] - [ -0.0001690700000000, 0.0007364600000000, 0.0008603500000000 ] - [ -0.0040761800000000, 0.0021546700000000, -0.0018055000000000 ] - [ -0.0025444800000000, -0.0000902900000000, -0.0016897000000000 ] - [ -0.0018935400000000, 0.0001422400000000, -0.0013858500000000 ] - [ 0.0012775700000000, 0.0019940500000000, 0.0039165200000000 ] - [ 0.0040862600000000, -0.0020559700000000, 0.0050672100000000 ] - [ 0.0040761800000000, -0.0021546700000000, -0.0018055000000000 ] - [ 0.0001690700000000, -0.0007364600000000, 0.0008603500000000 ] - [ 0.0018935400000000, -0.0001422400000000, -0.0013858500000000 ] - [ 0.0025444800000000, 0.0000902900000000, -0.0016897000000000 ] - [ -0.0040862600000000, 0.0020559700000000, 0.0050672100000000 ] - [ -0.0012775700000000, -0.0019940500000000, 0.0039165200000000 ] - [ -0.0015705200000000, -0.0129064000000000, -0.0009784700000000 ] - [ 0.0002387000000000, 0.0012412000000000, 0.0027045900000000 ] - [ 0.0020302400000000, -0.0003723600000000, -0.0019873600000000 ] - [ 0.0022587900000000, 0.0001003500000000, -0.0012776500000000 ] - [ 0.0048009200000000, 0.0020420500000000, -0.0046309200000000 ] - [ 0.0005644200000000, 0.0009815800000000, 0.0006965600000000 ] - [ 0.0015705200000000, 0.0129064000000000, -0.0009784700000000 ] - [ -0.0002387000000000, -0.0012412000000000, 0.0027045900000000 ] - [ -0.0020302400000000, 0.0003723600000000, -0.0019873600000000 ] - [ -0.0022587900000000, -0.0001003500000000, -0.0012776500000000 ] - [ -0.0048009200000000, -0.0020420500000000, -0.0046309200000000 ] - [ -0.0005644200000000, -0.0009815800000000, 0.0006965600000000 ] - [ 0.0048885100000000, 0.0027389300000000, 0.0048878000000000 ] - [ 0.0021676300000000, 0.0000202800000000, 0.0012143500000000 ] - [ -0.0014175000000000, -0.0024670300000000, -0.0045838900000000 ] - [ 0.0010916200000000, -0.0010045400000000, -0.0006400300000000 ] - [ -0.0001966900000000, -0.0008942400000000, -0.0031832300000000 ] - [ -0.0003037400000000, -0.0007012600000000, -0.0023817900000000 ] - [ -0.0048885100000000, -0.0027389300000000, 0.0048878000000000 ] - [ -0.0021676300000000, -0.0000202800000000, 0.0012143500000000 ] - [ 0.0014175000000000, 0.0024670300000000, -0.0045838900000000 ] - [ -0.0010916200000000, 0.0010045400000000, -0.0006400300000000 ] - [ 0.0001966900000000, 0.0008942400000000, -0.0031832300000000 ] - [ 0.0003037400000000, 0.0007012600000000, -0.0023817900000000 ] - [ 0.0115374600000000, -0.0151292100000000, 0.0114862400000000 ] - [ -0.0000476900000000, -0.0012491500000000, -0.0022451900000000 ] - [ 0.0010249500000000, 0.0000238800000000, 0.0056036200000000 ] - [ 0.0011658200000000, -0.0004785600000000, 0.0040762100000000 ] - [ 0.0005842500000000, 0.0286245500000000, 0.0104700300000000 ] - [ 0.0014725300000000, 0.0031191700000000, -0.0020635200000000 ] - [ -0.0115374600000000, 0.0151292100000000, 0.0114862400000000 ] - [ 0.0000476900000000, 0.0012491500000000, -0.0022451900000000 ] - [ -0.0010249500000000, -0.0000238800000000, 0.0056036200000000 ] - [ -0.0011658200000000, 0.0004785600000000, 0.0040762100000000 ] - [ -0.0005842500000000, -0.0286245500000000, 0.0104700300000000 ] - [ -0.0014725300000000, -0.0031191700000000, -0.0020635200000000 ] - [ -0.0026309400000000, 0.0001636400000000, -0.0120180900000000 ] - [ 0.0065958500000000, 0.0005838600000000, -0.0194377000000000 ] - [ -0.0026425000000000, 0.0013580200000000, 0.0041708000000000 ] - [ 0.0017834600000000, 0.0012784300000000, 0.0046969100000000 ] - [ 0.0015567300000000, -0.0016423700000000, 0.0042988200000000 ] - [ -0.0038693000000000, -0.0021627700000000, 0.0051793400000000 ] - [ -0.0065958500000000, -0.0005838600000000, -0.0194377000000000 ] - [ 0.0026309400000000, -0.0001636400000000, -0.0120180900000000 ] - [ -0.0017834600000000, -0.0012784300000000, 0.0046969100000000 ] - [ 0.0026425000000000, -0.0013580200000000, 0.0041708000000000 ] - [ 0.0038693000000000, 0.0021627700000000, 0.0051793400000000 ] - [ -0.0015567300000000, 0.0016423700000000, 0.0042988200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1728723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032278200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0072227200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056955600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021268900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021300900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006074000000000 ] - [ -0.0087476700000000, -0.0019030900000000, 0.0034695800000000 ] - [ 0.0087476700000000, 0.0019030900000000, 0.0034695800000000 ] - [ 0.0003010700000000, -0.0000839200000000, 0.0024024000000000 ] - [ -0.0003010700000000, 0.0000839200000000, 0.0024024000000000 ] - [ 0.0219019800000000, 0.0073196000000000, 0.0057651300000000 ] - [ -0.0219019800000000, -0.0073196000000000, 0.0057651300000000 ] - [ -0.0016886100000000, 0.0005669900000000, -0.0004704100000000 ] - [ 0.0016886100000000, -0.0005669900000000, -0.0004704100000000 ] - [ -0.0000998700000000, 0.0000198900000000, 0.0024517200000000 ] - [ 0.0000998700000000, -0.0000198900000000, 0.0024517200000000 ] - [ 0.0016970800000000, -0.0011212900000000, -0.0004602200000000 ] - [ -0.0016970800000000, 0.0011212900000000, -0.0004602200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008993900000000, -0.0027025300000000, -0.0039546100000000 ] - [ 0.0133716400000000, 0.0044477100000000, -0.0222045200000000 ] - [ -0.0022972300000000, 0.0016004100000000, 0.0019089900000000 ] - [ -0.0004483800000000, 0.0018841700000000, 0.0017054000000000 ] - [ -0.0012174000000000, 0.0005658500000000, 0.0009422100000000 ] - [ -0.0022833400000000, 0.0004071400000000, 0.0015738000000000 ] - [ -0.0133716400000000, -0.0044477100000000, -0.0222045200000000 ] - [ -0.0008993900000000, 0.0027025300000000, -0.0039546100000000 ] - [ 0.0004483800000000, -0.0018841700000000, 0.0017054000000000 ] - [ 0.0022972300000000, -0.0016004100000000, 0.0019089900000000 ] - [ 0.0022833400000000, -0.0004071400000000, 0.0015738000000000 ] - [ 0.0012174000000000, -0.0005658500000000, 0.0009422100000000 ] - [ -0.0016226100000000, -0.0008832500000000, -0.0014073600000000 ] - [ -0.0002451300000000, 0.0002449100000000, -0.0025007100000000 ] - [ -0.0013817000000000, 0.0010096400000000, 0.0014192300000000 ] - [ -0.0007752400000000, 0.0010113300000000, 0.0016956400000000 ] - [ -0.0008999200000000, -0.0002188800000000, 0.0005349700000000 ] - [ -0.0017788300000000, -0.0000316200000000, 0.0006989900000000 ] - [ 0.0002451300000000, -0.0002449100000000, -0.0025007100000000 ] - [ 0.0016226100000000, 0.0008832500000000, -0.0014073600000000 ] - [ 0.0007752400000000, -0.0010113300000000, 0.0016956400000000 ] - [ 0.0013817000000000, -0.0010096400000000, 0.0014192300000000 ] - [ 0.0017788300000000, 0.0000316200000000, 0.0006989900000000 ] - [ 0.0008999200000000, 0.0002188800000000, 0.0005349700000000 ] - [ 0.0031426200000000, -0.0006683200000000, 0.0044739800000000 ] - [ -0.0003990900000000, -0.0016894600000000, 0.0006465000000000 ] - [ 0.0005965800000000, 0.0014629400000000, 0.0026267800000000 ] - [ 0.0011672800000000, 0.0006716400000000, 0.0013657100000000 ] - [ 0.0251603400000000, -0.0259176600000000, -0.0531651100000000 ] - [ 0.0039270600000000, 0.0020597100000000, -0.0015194800000000 ] - [ -0.0031426200000000, 0.0006683200000000, 0.0044739800000000 ] - [ 0.0003990900000000, 0.0016894600000000, 0.0006465000000000 ] - [ -0.0005965800000000, -0.0014629400000000, 0.0026267800000000 ] - [ -0.0011672800000000, -0.0006716400000000, 0.0013657100000000 ] - [ -0.0251603400000000, 0.0259176600000000, -0.0531651100000000 ] - [ -0.0039270600000000, -0.0020597100000000, -0.0015194800000000 ] - [ 0.0022298700000000, -0.0039917000000000, -0.0021190600000000 ] - [ 0.0006617500000000, -0.0003971200000000, -0.0011310300000000 ] - [ 0.0015133700000000, 0.0008956100000000, 0.0013135700000000 ] - [ 0.0013461300000000, 0.0005663400000000, 0.0006766600000000 ] - [ -0.0005662000000000, 0.0050130300000000, 0.0014524200000000 ] - [ 0.0017332300000000, 0.0001004200000000, -0.0002169800000000 ] - [ -0.0022298700000000, 0.0039917000000000, -0.0021190600000000 ] - [ -0.0006617500000000, 0.0003971200000000, -0.0011310300000000 ] - [ -0.0015133700000000, -0.0008956100000000, 0.0013135700000000 ] - [ -0.0013461300000000, -0.0005663400000000, 0.0006766600000000 ] - [ 0.0005662000000000, -0.0050130300000000, 0.0014524200000000 ] - [ -0.0017332300000000, -0.0001004200000000, -0.0002169800000000 ] - [ -0.0008465100000000, -0.0014764200000000, -0.0038458600000000 ] - [ 0.0059999200000000, -0.0050104700000000, -0.0053430800000000 ] - [ -0.0023859600000000, -0.0002474200000000, 0.0015091600000000 ] - [ -0.0019374500000000, -0.0004273500000000, 0.0015771900000000 ] - [ -0.0001171000000000, 0.0010566500000000, -0.0002642200000000 ] - [ -0.0042794400000000, 0.0016494500000000, 0.0037584600000000 ] - [ -0.0059999200000000, 0.0050104700000000, -0.0053430800000000 ] - [ 0.0008465100000000, 0.0014764200000000, -0.0038458600000000 ] - [ 0.0019374500000000, 0.0004273500000000, 0.0015771900000000 ] - [ 0.0023859600000000, 0.0002474200000000, 0.0015091600000000 ] - [ 0.0042794400000000, -0.0016494500000000, 0.0037584600000000 ] - [ 0.0001171000000000, -0.0010566500000000, -0.0002642200000000 ] - [ -0.0017279600000000, 0.0005790900000000, 0.0005031900000000 ] - [ 0.0021673900000000, -0.0008306100000000, 0.0031644300000000 ] - [ 0.0006387100000000, 0.0013791700000000, 0.0029898000000000 ] - [ -0.0000249300000000, 0.0011409800000000, 0.0026745700000000 ] - [ -0.0032005300000000, -0.0007048300000000, -0.0026653600000000 ] - [ -0.0059957800000000, 0.0033793700000000, -0.0037997900000000 ] - [ -0.0021673900000000, 0.0008306100000000, 0.0031644300000000 ] - [ 0.0017279600000000, -0.0005790900000000, 0.0005031900000000 ] - [ 0.0000249300000000, -0.0011409800000000, 0.0026745700000000 ] - [ -0.0006387100000000, -0.0013791700000000, 0.0029898000000000 ] - [ 0.0059957800000000, -0.0033793700000000, -0.0037997900000000 ] - [ 0.0032005300000000, 0.0007048300000000, -0.0026653600000000 ] - [ 0.0034665800000000, 0.0141942600000000, 0.0023880000000000 ] - [ 0.0016668900000000, 0.0000470800000000, -0.0013932500000000 ] - [ -0.0001227000000000, 0.0016721400000000, 0.0032386100000000 ] - [ -0.0003537900000000, 0.0012085000000000, 0.0025345600000000 ] - [ -0.0028902900000000, -0.0007515800000000, 0.0059872900000000 ] - [ 0.0013401400000000, 0.0003290100000000, 0.0006542400000000 ] - [ -0.0034665800000000, -0.0141942600000000, 0.0023880000000000 ] - [ -0.0016668900000000, -0.0000470800000000, -0.0013932500000000 ] - [ 0.0001227000000000, -0.0016721400000000, 0.0032386100000000 ] - [ 0.0003537900000000, -0.0012085000000000, 0.0025345600000000 ] - [ 0.0028902900000000, 0.0007515800000000, 0.0059872900000000 ] - [ -0.0013401400000000, -0.0003290100000000, 0.0006542400000000 ] - [ -0.0029868400000000, -0.0040410100000000, -0.0061373600000000 ] - [ -0.0002580300000000, -0.0013289900000000, -0.0024705000000000 ] - [ 0.0033236500000000, 0.0011749600000000, 0.0032826700000000 ] - [ 0.0008174900000000, -0.0002850400000000, -0.0006599200000000 ] - [ 0.0020953500000000, -0.0004222300000000, 0.0018196400000000 ] - [ 0.0021989000000000, -0.0006085900000000, 0.0010151600000000 ] - [ 0.0029868400000000, 0.0040410100000000, -0.0061373600000000 ] - [ 0.0002580300000000, 0.0013289900000000, -0.0024705000000000 ] - [ -0.0033236500000000, -0.0011749600000000, 0.0032826700000000 ] - [ -0.0008174900000000, 0.0002850400000000, -0.0006599200000000 ] - [ -0.0020953500000000, 0.0004222300000000, 0.0018196400000000 ] - [ -0.0021989000000000, 0.0006085900000000, 0.0010151600000000 ] - [ -0.0096416500000000, 0.0150182600000000, -0.0114960800000000 ] - [ 0.0019187800000000, 0.0012384400000000, 0.0022176200000000 ] - [ 0.0008556500000000, -0.0000391000000000, -0.0055991500000000 ] - [ 0.0007025500000000, 0.0004769700000000, -0.0040748500000000 ] - [ 0.0013277100000000, -0.0286663300000000, -0.0104610300000000 ] - [ 0.0004136100000000, -0.0031161400000000, 0.0020947500000000 ] - [ 0.0096416500000000, -0.0150182600000000, -0.0114960800000000 ] - [ -0.0019187800000000, -0.0012384400000000, 0.0022176200000000 ] - [ -0.0008556500000000, 0.0000391000000000, -0.0055991500000000 ] - [ -0.0007025500000000, -0.0004769700000000, -0.0040748500000000 ] - [ -0.0013277100000000, 0.0286663300000000, -0.0104610300000000 ] - [ -0.0004136100000000, 0.0031161400000000, 0.0020947500000000 ] - [ 0.0007534000000000, -0.0001780800000000, 0.0119781600000000 ] - [ -0.0084943100000000, -0.0007587300000000, 0.0193204100000000 ] - [ 0.0007619100000000, -0.0013429000000000, -0.0041448900000000 ] - [ -0.0036469000000000, -0.0012583300000000, -0.0046727300000000 ] - [ -0.0034126200000000, 0.0016346900000000, -0.0042680000000000 ] - [ 0.0020165200000000, 0.0021709100000000, -0.0051649000000000 ] - [ 0.0084943100000000, 0.0007587300000000, 0.0193204100000000 ] - [ -0.0007534000000000, 0.0001780800000000, 0.0119781600000000 ] - [ 0.0036469000000000, 0.0012583300000000, -0.0046727300000000 ] - [ -0.0007619100000000, 0.0013429000000000, -0.0041448900000000 ] - [ -0.0020165200000000, -0.0021709100000000, -0.0051649000000000 ] - [ 0.0034126200000000, -0.0016346900000000, -0.0042680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1778724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0064862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013299400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0065310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014429400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029750000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027863200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012712300000000 ] - [ 0.0086886900000000, 0.0018819000000000, -0.0041583500000000 ] - [ -0.0086886900000000, -0.0018819000000000, -0.0041583500000000 ] - [ -0.0003076600000000, 0.0000839500000000, -0.0030677600000000 ] - [ 0.0003076600000000, -0.0000839500000000, -0.0030677600000000 ] - [ -0.0220372600000000, -0.0073662300000000, -0.0064167500000000 ] - [ 0.0220372600000000, 0.0073662300000000, -0.0064167500000000 ] - [ 0.0016876400000000, -0.0005603800000000, 0.0011268300000000 ] - [ -0.0016876400000000, 0.0005603800000000, 0.0011268300000000 ] - [ 0.0000969600000000, -0.0000214900000000, -0.0017734500000000 ] - [ -0.0000969600000000, 0.0000214900000000, -0.0017734500000000 ] - [ -0.0016962500000000, 0.0011240500000000, 0.0011372000000000 ] - [ 0.0016962500000000, -0.0011240500000000, 0.0011372000000000 ]